A0A087X5E1_POEFO Loading...

Ras suppressor protein 1

Potentially plays a role in the Ras signal transduction pathway. Capable of suppressing v-Ras transformation in vitro.

AlphaFold DB , UniProt , Accession A0A087X5E1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 279 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
1M61.9Low86.1Confident133 Ų13379.4 Ų79.466%0.65539%0.389SS*.  0-58.60-156.4-179.7-71.700112.2K3 S4 L5 R25M1-K3 PolarHBondContact O-N 2.69Å; M1-S4 PolarHBondContact O-N 2.85Å; M1-S4 PolarHBondContact O-OG 3.41Å; M1-L5 HydrophobicContact CG-CD1 3.97Å; M1-L5 HydrophobicContact CG-CG 4.47Å; M1-L5 WeakPolarHBondContact O-CG 3.36Å; M1-L5 PolarHBondContact O-N 3.34Å; M1-R25 WeakPolarHBondContact CE-O 3.49Å
2S72Confident86.7Confident68 Ų6872.9 Ų72.948%0.47636%0.358SS..Hα-helixtrans-54.9-42.4-176.7178.40000115.3S4 L5 K6S2-S4 PolarHBondContact O-N 3.39Å; S2-L5 PolarHBondContact O-N 3.22Å; S2-K6 WeakPolarHBondContact O-CB 3.43Å; S2-K6 PolarHBondContact O-N 3.29Å
3K77.4Confident87.3Confident189 Ų18976.7 Ų76.782%0.82237%0.366SS*.Hα-helixtrans-62.3-38.6178.9-69.1-174.5-179.9-1790114M1 K7M1-K3 PolarHBondContact O-N 2.69Å; K3-K7 PolarHBondContact O-N 3.08Å
4S88.1Confident87.7Confident55 Ų5580.8 Ų80.839%0.38539%0.391SS..Hα-helixtrans-73.7-37.417956.30000111.7M1 S2 K7 I8M1-S4 PolarHBondContact O-N 2.85Å; M1-S4 PolarHBondContact O-OG 3.41Å; S2-S4 PolarHBondContact O-N 3.39Å; S4-K7 PolarHBondContact O-N 3.37Å; S4-I8 WeakPolarHBondContact O-CG1 3.02Å; S4-I8 PolarHBondContact O-N 3.19Å
5L90.6Very high88.1Confident3 Ų386.5 Ų86.52%0.01641%0.407CS..Hα-helixtrans-64.8-43.5175.3-63.6172.8000111.3M1 S2 K7 I8 V9 M22 R25 I27 I33M1-L5 HydrophobicContact CG-CD1 3.97Å; M1-L5 HydrophobicContact CG-CG 4.47Å; M1-L5 WeakPolarHBondContact O-CG 3.36Å; M1-L5 PolarHBondContact O-N 3.34Å; S2-L5 PolarHBondContact O-N 3.22Å; L5-K7 VanDerWaalsContact C-N 3.31Å; L5-K7 PolarHBondContact O-N 3.21Å; L5-I8 PolarHBondContact O-N 3.4Å; L5-V9 PolarHBondContact O-N 2.93Å; L5-V9 VanDerWaalsContact O-N 3.13Å; L5-M22 HydrophobicContact CD2-CG 4.41Å; L5-M22 HydrophobicContact CD2-SD 3.76Å; L5-R25 HydrophobicContact CD2-CB 4.37Å; L5-R25 VanDerWaalsContact CD2-CD 3.49Å; L5-I27 HydrophobicContact CD1-CD1 4.39Å; L5-I27 HydrophobicContact CD1-CG1 4.16Å; L5-I27 HydrophobicContact CD2-CD1 3.73Å; L5-I27 HydrophobicContact CD2-CG1 4.17Å; L5-I33 HydrophobicContact CB-CG2 4.42Å; L5-I33 HydrophobicContact CD1-CG1 4.31Å
6K91.1Very high88.3Confident99 Ų9986.2 Ų86.243%0.4342%0.417SS..Hα-helixtrans-57.2-44.7175.3-173.1178.8176-165.60111.7S2 I8 V9 E10 P34S2-K6 WeakPolarHBondContact O-CB 3.43Å; S2-K6 PolarHBondContact O-N 3.29Å; K6-I8 VanDerWaalsContact C-N 3.31Å; K6-I8 PolarHBondContact O-N 2.95Å; K6-V9 PolarHBondContact O-N 3.45Å; K6-E10 WeakPolarHBondContact CE-OE1 3.45Å; K6-E10 HydrophobicContact CG-CG 4.41Å; K6-E10 IonicContact NZ-OE1 3.85Å; K6-E10 WeakPolarHBondContact O-CG 3.3Å; K6-E10 PolarHBondContact O-N 3.44Å; K6-P34 HydrophobicContact CB-CG 4.31Å
7K92.4Very high88.7Confident141 Ų14185.1 Ų85.161%0.61341%0.413SS*.Hα-helixtrans-58.7-40.3177.3-172.5-178.8177.3-175.10112.5K3 S4 L5 E10 E11K3-K7 PolarHBondContact O-N 3.08Å; S4-K7 PolarHBondContact O-N 3.37Å; L5-K7 VanDerWaalsContact C-N 3.31Å; L5-K7 PolarHBondContact O-N 3.21Å; K7-E10 PolarHBondContact O-N 3.25Å; K7-E11 VanDerWaalsContact O-CB 3.3Å; K7-E11 WeakPolarHBondContact O-CB 3.16Å; K7-E11 PolarHBondContact O-N 2.93Å
8I92.5Very high89Confident34 Ų3484.4 Ų84.417%0.17442%0.416CS..Hα-helixtrans-65.9-42.7178.3-62.5164.1000110.7S4 L5 K6 E11 S12 V20 M22 R25S4-I8 WeakPolarHBondContact O-CG1 3.02Å; S4-I8 PolarHBondContact O-N 3.19Å; L5-I8 PolarHBondContact O-N 3.4Å; K6-I8 VanDerWaalsContact C-N 3.31Å; K6-I8 PolarHBondContact O-N 2.95Å; I8-E11 PolarHBondContact O-N 2.9Å; I8-S12 WeakPolarHBondContact O-CB 3.43Å; I8-S12 PolarHBondContact O-N 3.09Å; I8-V20 HydrophobicContact CG2-CG1 4.3Å; I8-M22 HydrophobicContact CB-CE 3.98Å; I8-M22 HydrophobicContact CD1-CG 4.27Å; I8-M22 HydrophobicContact CG2-CE 3.72Å; I8-M22 HydrophobicContact CG2-CG 4.39Å; I8-R25 VanDerWaalsContact CD1-CZ 3.49Å
9V93.9Very high89.4Confident3 Ų384.3 Ų84.32%0.01842%0.415CS..Hα-helixtrans-63.2-45.4176.5172.10000111L5 K6 S12 R13 M22 I33 P34 L39L5-V9 PolarHBondContact O-N 2.93Å; L5-V9 VanDerWaalsContact O-N 3.13Å; K6-V9 PolarHBondContact O-N 3.45Å; V9-S12 PolarHBondContact O-N 2.83Å; V9-R13 WeakPolarHBondContact O-CB 3.44Å; V9-R13 PolarHBondContact O-N 3.22Å; V9-M22 HydrophobicContact CG2-CE 3.71Å; V9-I33 HydrophobicContact CG2-CG2 3.84Å; V9-P34 WeakPolarHBondContact CG1-O 3.38Å; V9-L39 HydrophobicContact CG1-CD1 4Å; V9-L39 HydrophobicContact CG1-CD2 3.96Å; V9-L39 HydrophobicContact CG1-CG 4.1Å; V9-L39 HydrophobicContact CG2-CD1 4.48Å
10E93.5Very high89.8Confident79 Ų7980.2 Ų80.237%0.36940%0.395SS..Hα-helixtrans-61.7-46.3176.9-72.3173.7155.900111.1K6 K7 S12 R13 D14K6-E10 WeakPolarHBondContact CE-OE1 3.45Å; K6-E10 HydrophobicContact CG-CG 4.41Å; K6-E10 IonicContact NZ-OE1 3.85Å; K6-E10 WeakPolarHBondContact O-CG 3.3Å; K6-E10 PolarHBondContact O-N 3.44Å; K7-E10 PolarHBondContact O-N 3.25Å; E10-S12 PolarHBondContact O-N 3.14Å; E10-R13 WeakPolarHBondContact O-CB 3.35Å; E10-R13 PolarHBondContact O-N 2.88Å; E10-R13 VanDerWaalsContact O-N 3.14Å; E10-D14 WeakPolarHBondContact O-CB 3.38Å; E10-D14 PolarHBondContact O-N 3.44Å
11E93.4Very high90.1Very high69 Ų6981.7 Ų81.732%0.32240%0.4SS..Hα-helixtrans-62.5-42.4177.9-177.5170.6-171.400112.5K7 I8 R13 D14 R15K7-E11 VanDerWaalsContact O-CB 3.3Å; K7-E11 WeakPolarHBondContact O-CB 3.16Å; K7-E11 PolarHBondContact O-N 2.93Å; I8-E11 PolarHBondContact O-N 2.9Å; E11-R13 VanDerWaalsContact C-N 3.3Å; E11-R13 PolarHBondContact O-N 3.45Å; E11-D14 PolarHBondContact O-N 3.49Å; E11-R15 WeakPolarHBondContact O-CB 3.26Å; E11-R15 PolarHBondContact O-N 3.1Å; E11-R15 IonicContact OE1-CZ 3.76Å; E11-R15 IonicContact OE1-NE 3.71Å; E11-R15 IonicContact OE1-NH1 2.65Å; E11-R15 PolarHBondContact OE1-NH1 3.46Å; E11-R15 IonicContact OE1-NH2 2.74Å
12S93.4Very high91.7Very high2 Ų275.3 Ų75.31%0.01437%0.369CS..Hα-helixtrans-62.7-37.5174.7173.70000112I8 V9 E10 S16 L17 V20 H41I8-S12 WeakPolarHBondContact O-CB 3.43Å; I8-S12 PolarHBondContact O-N 3.09Å; V9-S12 PolarHBondContact O-N 2.83Å; E10-S12 PolarHBondContact O-N 3.14Å; S12-S16 CarbonylContact O-C 3.55Å; S12-S16 VanDerWaalsContact O-CA 3.28Å; S12-S16 WeakPolarHBondContact O-CA 3.33Å; S12-S16 PolarHBondContact O-N 2.84Å; S12-L17 PolarHBondContact O-N 3.2Å; S12-V20 VanDerWaalsContact OG-CG2 3.22Å; S12-V20 WeakPolarHBondContact OG-CG2 3.31Å; S12-H41 PolarHBondContact O-NE2 2.95Å; S12-H41 VanDerWaalsContact O-NE2 3.12Å
13R94.3Very high92.8Very high122 Ų12273.7 Ų73.746%0.4636%0.357SS..Hα-helixtrans-68.6-51.5176.3-173.7-175.3-67.8166.7-2.2111.4V9 E10 E11 R15 S16 T38 L39V9-R13 WeakPolarHBondContact O-CB 3.44Å; V9-R13 PolarHBondContact O-N 3.22Å; E10-R13 WeakPolarHBondContact O-CB 3.35Å; E10-R13 PolarHBondContact O-N 2.88Å; E10-R13 VanDerWaalsContact O-N 3.14Å; E11-R13 VanDerWaalsContact C-N 3.3Å; E11-R13 PolarHBondContact O-N 3.45Å; R13-R15 VanDerWaalsContact C-N 3.29Å; R13-R15 PolarHBondContact O-N 2.85Å; R13-S16 PolarHBondContact O-N 3.13Å; R13-T38 PolarHBondContact NH2-OG1 3.26Å; R13-L39 HydrophobicContact CB-CD2 3.83Å; R13-L39 HydrophobicContact CG-CD2 4.44Å
14D93.5Very high93.6Very high134 Ų13471 Ų7172%0.71735%0.352SS*.Hα-helixtrans-66-34.6-173.9-67.5-14.1000111.9E10 E11E10-D14 WeakPolarHBondContact O-CB 3.38Å; E10-D14 PolarHBondContact O-N 3.44Å; E11-D14 PolarHBondContact O-N 3.49Å
15R93.4Very high93.8Very high167 Ų16773.2 Ų73.263%0.6335%0.352SS*.THydrogen-bonded Turntrans-960.1178.3-63.2-177.9179.2169.38.3113.7E11 R13 L17E11-R15 WeakPolarHBondContact O-CB 3.26Å; E11-R15 PolarHBondContact O-N 3.1Å; E11-R15 IonicContact OE1-CZ 3.76Å; E11-R15 IonicContact OE1-NE 3.71Å; E11-R15 IonicContact OE1-NH1 2.65Å; E11-R15 PolarHBondContact OE1-NH1 3.46Å; E11-R15 IonicContact OE1-NH2 2.74Å; R13-R15 VanDerWaalsContact C-N 3.29Å; R13-R15 PolarHBondContact O-N 2.85Å; R15-L17 HydrophobicContact CB-CD2 4.06Å; R15-L17 HydrophobicContact CB-CG 3.91Å; R15-L17 PolarHBondContact O-N 3.17Å
16S92.3Very high94Very high81 Ų8174.1 Ų74.157%0.56636%0.362SS*.THydrogen-bonded Turntrans50.741.7-175.9-171.10000113S12 R13S12-S16 CarbonylContact O-C 3.55Å; S12-S16 VanDerWaalsContact O-CA 3.28Å; S12-S16 WeakPolarHBondContact O-CA 3.33Å; S12-S16 PolarHBondContact O-N 2.84Å; R13-S16 PolarHBondContact O-N 3.13Å
17L94.4Very high94.1Very high68 Ų6869.6 Ų69.636%0.35634%0.342SS..  trans-66.8134.1-178.2-62.7177.7000110.2S12 R15 E19 H41S12-L17 PolarHBondContact O-N 3.2Å; R15-L17 HydrophobicContact CB-CD2 4.06Å; R15-L17 HydrophobicContact CB-CG 3.91Å; R15-L17 PolarHBondContact O-N 3.17Å; L17-E19 PolarHBondContact O-N 3.44Å; L17-H41 PolarHBondContact O-CD2 3.36Å; L17-H41 PolarHBondContact O-NE2 2.9Å; L17-H41 VanDerWaalsContact O-NE2 3.16Å
18P94.4Very high94.2Very high72 Ų7265.1 Ų65.147%0.46833%0.329SS..SBendtrans-74.9-15.4179.631.7-36.2000112.8T43 Q44P18-T43 PolarHBondContact O-N 3.33Å; P18-T43 PolarHBondContact O-OG1 3.2Å; P18-T43 VanDerWaalsContact O-OG1 3.12Å; P18-Q44 PolarHBondContact O-N 2.86Å
19E96.5Very high94.2Very high83 Ų8366.2 Ų66.239%0.38834%0.335SS..EExtended strand (participates in β ladder)trans-123.6138.5-174.5179.1171.4-17200110.9L17 Q44L17-E19 PolarHBondContact O-N 3.44Å; E19-Q44 WeakPolarHBondContact CA-O 3.14Å; E19-Q44 HydrophobicContact CB-CB 4.07Å; E19-Q44 HydrophobicContact CG-CB 3.95Å
20V96.8Very high94.2Very high2 Ų266.1 Ų66.11%0.01233%0.334CS..EExtended strand (participates in β ladder)trans-126.9115.2172.7176.70000109I8 S12 M22 L39 I42 Q44 L45 V46I8-V20 HydrophobicContact CG2-CG1 4.3Å; S12-V20 VanDerWaalsContact OG-CG2 3.22Å; S12-V20 WeakPolarHBondContact OG-CG2 3.31Å; V20-M22 HydrophobicContact CG1-CE 3.57Å; V20-M22 HydrophobicContact CG1-CG 4.31Å; V20-L39 HydrophobicContact CG2-CD1 3.86Å; V20-I42 HydrophobicContact CG2-CD1 4.31Å; V20-I42 HydrophobicContact CG2-CG2 3.81Å; V20-Q44 PolarHBondContact N-O 3.32Å; V20-L45 HydrophobicContact CB-CD1 4.18Å; V20-L45 HydrophobicContact CG1-CD1 4.16Å; V20-V46 PolarHBondContact O-N 2.95Å
21E95.9Very high94.2Very high111 Ų11166.8 Ų66.852%0.51934%0.34SS..EExtended strand (participates in β ladder)trans-112.7129.3178.8-173-179.617000111.6C23 V46E21-C23 HydrophobicContact CG-CB 4.41Å; E21-C23 WeakPolarHBondContact CG-SG 3.26Å; E21-C23 PolarHBondContact OE1-SG 2.94Å; E21-V46 HydrophobicContact CB-CB 4.38Å; E21-V46 HydrophobicContact CG-CB 4.08Å; E21-V46 HydrophobicContact CG-CG1 4.21Å
22M95.3Very high94.2Very high0 Ų067.7 Ų67.70%035%0.347CS..  trans-139.948.3-179.8-65.4-174.5-169.900111.1L5 I8 V9 V20 I27 I33 V46 L47 N50L5-M22 HydrophobicContact CD2-CG 4.41Å; L5-M22 HydrophobicContact CD2-SD 3.76Å; I8-M22 HydrophobicContact CB-CE 3.98Å; I8-M22 HydrophobicContact CD1-CG 4.27Å; I8-M22 HydrophobicContact CG2-CE 3.72Å; I8-M22 HydrophobicContact CG2-CG 4.39Å; V9-M22 HydrophobicContact CG2-CE 3.71Å; V20-M22 HydrophobicContact CG1-CE 3.57Å; V20-M22 HydrophobicContact CG1-CG 4.31Å; M22-I27 HydrophobicContact CB-CD1 3.94Å; M22-I27 HydrophobicContact SD-CD1 4.29Å; M22-I33 HydrophobicContact CE-CG2 3.75Å; M22-I33 HydrophobicContact SD-CD1 4.1Å; M22-I33 HydrophobicContact SD-CG1 4.48Å; M22-I33 HydrophobicContact SD-CG2 3.79Å; M22-V46 PolarHBondContact N-O 3.46Å; M22-L47 HydrophobicContact CB-CD2 3.7Å; M22-L47 HydrophobicContact CG-CD2 4.46Å; M22-L47 HydrophobicContact SD-CD2 4.27Å; M22-N50 PolarHBondContact O-ND2 2.81Å
23C94.9Very high94.2Very high33 Ų3367.8 Ų67.822%0.22335%0.347CS..THydrogen-bonded Turntrans-68.9143.1178.7-60.90000112.9E21 R25 V46 S48E21-C23 HydrophobicContact CG-CB 4.41Å; E21-C23 WeakPolarHBondContact CG-SG 3.26Å; E21-C23 PolarHBondContact OE1-SG 2.94Å; C23-R25 VanDerWaalsContact C-N 3.32Å; C23-R25 WeakPolarHBondContact O-CG 3.1Å; C23-R25 PolarHBondContact O-N 3.33Å; C23-V46 WeakPolarHBondContact SG-CG1 3.47Å; C23-S48 VanDerWaalsContact CA-O 3.31Å; C23-S48 WeakPolarHBondContact CA-O 3.39Å; C23-S48 PolarHBondContact SG-OG 3.41Å
24D94.3Very high94.1Very high134 Ų13464.2 Ų64.272%0.71734%0.34SS*.THydrogen-bonded Turntrans50.846.2173.4-164.822.1000114.2S48 H49D24-S48 PolarHBondContact N-O 3.26Å; D24-H49 WeakPolarHBondContact CA-O 3.47Å; D24-H49 HydrophobicContact CB-CB 4.3Å
25R94Very high94.1Very high101 Ų10159.2 Ų59.238%0.38132%0.32SS..SBendtrans-105.51.7-180-66.3-163.5176.2-80.3-0.5113.3M1 L5 I8 C23 I27 N50M1-R25 WeakPolarHBondContact CE-O 3.49Å; L5-R25 HydrophobicContact CD2-CB 4.37Å; L5-R25 VanDerWaalsContact CD2-CD 3.49Å; I8-R25 VanDerWaalsContact CD1-CZ 3.49Å; C23-R25 VanDerWaalsContact C-N 3.32Å; C23-R25 WeakPolarHBondContact O-CG 3.1Å; C23-R25 PolarHBondContact O-N 3.33Å; R25-I27 HydrophobicContact CB-CD1 3.94Å; R25-I27 HydrophobicContact CB-CG1 3.8Å; R25-I27 PolarHBondContact O-N 3.35Å; R25-N50 PolarHBondContact N-OD1 3.18Å; R25-N50 VanDerWaalsContact N-OD1 3.1Å
26G93.1Very high94.3Very high22 Ų2251.3 Ų51.323%0.22729%0.291CS..  trans65.224.8-177.900000113.8S28 N50G26-S28 PolarHBondContact O-N 3.07Å; G26-N50 PolarHBondContact N-OD1 3.24Å; G26-N50 VanDerWaalsContact N-OD1 3.08Å
27I94.4Very high94.4Very high3 Ų349 Ų492%0.01527%0.27CS..  trans-68.5124.8-178.2-56.3168.2000108.9L5 M22 R25 N29 I33 L47 N50 K51 L52L5-I27 HydrophobicContact CD1-CD1 4.39Å; L5-I27 HydrophobicContact CD1-CG1 4.16Å; L5-I27 HydrophobicContact CD2-CD1 3.73Å; L5-I27 HydrophobicContact CD2-CG1 4.17Å; M22-I27 HydrophobicContact CB-CD1 3.94Å; M22-I27 HydrophobicContact SD-CD1 4.29Å; R25-I27 HydrophobicContact CB-CD1 3.94Å; R25-I27 HydrophobicContact CB-CG1 3.8Å; R25-I27 PolarHBondContact O-N 3.35Å; I27-N29 WeakPolarHBondContact CG2-O 3.46Å; I27-I33 HydrophobicContact CD1-CD1 4.06Å; I27-I33 HydrophobicContact CD1-CG1 4.4Å; I27-I33 HydrophobicContact CG2-CD1 4.1Å; I27-I33 HydrophobicContact CG2-CG1 4.17Å; I27-L47 HydrophobicContact CD1-CD2 3.75Å; I27-N50 HydrophobicContact CB-CB 4.23Å; I27-N50 WeakPolarHBondContact CB-OD1 3.32Å; I27-N50 WeakPolarHBondContact CG1-OD1 3.09Å; I27-N50 PolarHBondContact N-OD1 2.6Å; I27-K51 CarbonylContact O-C 3.25Å; I27-K51 VanDerWaalsContact O-C 3.25Å; I27-K51 WeakPolarHBondContact O-CA 3.36Å; I27-K51 PolarHBondContact O-N 3.06Å; I27-L52 HydrophobicContact CB-CD2 4.37Å; I27-L52 HydrophobicContact CG2-CD2 3.72Å; I27-L52 PolarHBondContact O-N 3.34Å
28S93.3Very high94.4Very high47 Ų4749.7 Ų49.733%0.32928%0.277SS..  trans-102.9-22.1179.356.90000113.7G26 K51G26-S28 PolarHBondContact O-N 3.07Å; S28-K51 WeakPolarHBondContact CA-O 3.16Å
29N93.4Very high94.4Very high58 Ų5846.3 Ų46.331%0.3126%0.255SS..  trans-141.3129178.6-174.2-5.5000110.1I27 L31 D32I27-N29 WeakPolarHBondContact CG2-O 3.46Å; N29-L31 PolarHBondContact O-N 3.16Å; N29-L31 WeakPolarHBondContact OD1-CB 3.45Å; N29-L31 PolarHBondContact OD1-N 3.25Å; N29-D32 WeakPolarHBondContact O-CB 3.34Å; N29-D32 PolarHBondContact O-N 2.94Å
30M94Very high94.2Very high0 Ų045.5 Ų45.50%026%0.259CS..G310 helixtrans-66.5-25.3178-61.5-178.359.700112.6D32 I33 L36 F37 L45 L47 L52 V55 P56 I59M30-D32 PolarHBondContact O-N 3.03Å; M30-I33 WeakPolarHBondContact O-CB 3.42Å; M30-I33 PolarHBondContact O-N 3.2Å; M30-L36 HydrophobicContact CE-CD2 4.05Å; M30-F37 HydrophobicContact CB-CZ 3.93Å; M30-F37 HydrophobicContact CE-CE1 4.11Å; M30-F37 HydrophobicContact CE-CZ 4.15Å; M30-L45 HydrophobicContact CE-CD2 4.13Å; M30-L47 HydrophobicContact CE-CD1 3.57Å; M30-L47 HydrophobicContact CG-CD1 4.27Å; M30-L47 HydrophobicContact SD-CD1 4.19Å; M30-L52 HydrophobicContact CG-CD1 3.79Å; M30-L52 HydrophobicContact CG-CD2 3.62Å; M30-L52 HydrophobicContact CG-CG 4.33Å; M30-L52 HydrophobicContact SD-CD1 4.18Å; M30-V55 HydrophobicContact SD-CB 4.42Å; M30-V55 HydrophobicContact SD-CG1 4.1Å; M30-V55 HydrophobicContact SD-CG2 4.29Å; M30-P56 HydrophobicContact CB-CG 3.94Å; M30-I59 HydrophobicContact CE-CD1 3.92Å
31L93.8Very high94Very high94 Ų9448 Ų4849%0.49227%0.27SS..G310 helixtrans-67.8-20.1176.2-63.4174.3000112.7N29 I33 F37 P56N29-L31 PolarHBondContact O-N 3.16Å; N29-L31 WeakPolarHBondContact OD1-CB 3.45Å; N29-L31 PolarHBondContact OD1-N 3.25Å; L31-I33 PolarHBondContact O-N 3.03Å; L31-F37 HydrophobicContact CD2-CE2 3.92Å; L31-P56 HydrophobicContact CD1-CB 4.41Å; L31-P56 HydrophobicContact CD2-CB 3.85Å; L31-P56 HydrophobicContact CD2-CG 4.04Å; L31-P56 HydrophobicContact CG-CB 4.02Å; L31-P56 HydrophobicContact CG-CG 4.21Å
32D92.6Very high94.1Very high88 Ų8842.7 Ų42.747%0.47125%0.246SC..G310 helixtrans-77.6-6.8177.6-62.2-15.9000112.5N29 M30 P34N29-D32 WeakPolarHBondContact O-CB 3.34Å; N29-D32 PolarHBondContact O-N 2.94Å; M30-D32 PolarHBondContact O-N 3.03Å; D32-P34 WeakPolarHBondContact O-CD 3.45Å
33I93.7Very high94.3Very high3 Ų344.3 Ų44.32%0.01526%0.256CS..SBendtrans-88.399.2176.9-51.9167.7000108.1L5 V9 M22 I27 M30 L31 G35 L36 L47L5-I33 HydrophobicContact CB-CG2 4.42Å; L5-I33 HydrophobicContact CD1-CG1 4.31Å; V9-I33 HydrophobicContact CG2-CG2 3.84Å; M22-I33 HydrophobicContact CE-CG2 3.75Å; M22-I33 HydrophobicContact SD-CD1 4.1Å; M22-I33 HydrophobicContact SD-CG1 4.48Å; M22-I33 HydrophobicContact SD-CG2 3.79Å; I27-I33 HydrophobicContact CD1-CD1 4.06Å; I27-I33 HydrophobicContact CD1-CG1 4.4Å; I27-I33 HydrophobicContact CG2-CD1 4.1Å; I27-I33 HydrophobicContact CG2-CG1 4.17Å; M30-I33 WeakPolarHBondContact O-CB 3.42Å; M30-I33 PolarHBondContact O-N 3.2Å; L31-I33 PolarHBondContact O-N 3.03Å; I33-G35 PolarHBondContact O-N 3.38Å; I33-L36 HydrophobicContact CB-CB 4Å; I33-L36 HydrophobicContact CB-CD2 4.2Å; I33-L36 HydrophobicContact CD1-CD2 3.71Å; I33-L36 HydrophobicContact CG2-CB 3.78Å; I33-L36 HydrophobicContact CG2-CD2 4.31Å; I33-L36 HydrophobicContact CG2-CG 4.43Å; I33-L36 PolarHBondContact O-N 2.98Å; I33-L47 HydrophobicContact CD1-CD2 3.78Å
34P93Very high94.4Very high48 Ų4845.8 Ų45.831%0.31226%0.259SS..THydrogen-bonded Turntrans-67.5124.7-168.6-18.434.4000110.5K6 V9 D32 L36K6-P34 HydrophobicContact CB-CG 4.31Å; V9-P34 WeakPolarHBondContact CG1-O 3.38Å; D32-P34 WeakPolarHBondContact O-CD 3.45Å; P34-L36 VanDerWaalsContact C-N 3.33Å; P34-L36 PolarHBondContact O-N 3.12Å
35G93.8Very high94.6Very high29 Ų2939.4 Ų39.430%0.29923%0.225SC..THydrogen-bonded Turntrans80.13176.400000115.6I33 F37 T38I33-G35 PolarHBondContact O-N 3.38Å; G35-F37 PolarHBondContact O-N 2.93Å; G35-T38 WeakPolarHBondContact O-CB 3.28Å; G35-T38 PolarHBondContact O-N 2.95Å; G35-T38 PolarHBondContact O-OG1 3.44Å
36L95.7Very high94.8Very high1 Ų135.3 Ų35.31%0.00521%0.212CC..G310 helixtrans-52.2-51.5-179.5177.462.1000112.6M30 I33 P34 T38 L39 L45M30-L36 HydrophobicContact CE-CD2 4.05Å; I33-L36 HydrophobicContact CB-CB 4Å; I33-L36 HydrophobicContact CB-CD2 4.2Å; I33-L36 HydrophobicContact CD1-CD2 3.71Å; I33-L36 HydrophobicContact CG2-CB 3.78Å; I33-L36 HydrophobicContact CG2-CD2 4.31Å; I33-L36 HydrophobicContact CG2-CG 4.43Å; I33-L36 PolarHBondContact O-N 2.98Å; P34-L36 VanDerWaalsContact C-N 3.33Å; P34-L36 PolarHBondContact O-N 3.12Å; L36-T38 PolarHBondContact O-N 3.12Å; L36-T38 VanDerWaalsContact O-N 3.13Å; L36-L39 HydrophobicContact CD1-CD1 4.49Å; L36-L39 WeakPolarHBondContact O-CB 3.22Å; L36-L39 WeakPolarHBondContact O-CG 3.42Å; L36-L39 PolarHBondContact O-N 2.92Å; L36-L39 VanDerWaalsContact O-N 3.15Å; L36-L45 HydrophobicContact CD1-CD1 3.92Å; L36-L45 HydrophobicContact CD1-CD2 4.42Å; L36-L45 HydrophobicContact CD2-CD2 4.33Å
37F95.4Very high95.1Very high31 Ų3134.3 Ų34.314%0.13620%0.201CC..G310 helixtrans-73.1-3.9-176.2-53.4-69.7000114M30 L31 G35 P56 N58 E61M30-F37 HydrophobicContact CB-CZ 3.93Å; M30-F37 HydrophobicContact CE-CE1 4.11Å; M30-F37 HydrophobicContact CE-CZ 4.15Å; L31-F37 HydrophobicContact CD2-CE2 3.92Å; G35-F37 PolarHBondContact O-N 2.93Å; F37-P56 HydrophobicContact CE1-CG 4.11Å; F37-P56 HydrophobicContact CE2-CG 4.14Å; F37-P56 HydrophobicContact CZ-CG 3.43Å; F37-P56 VanDerWaalsContact CZ-CG 3.43Å; F37-N58 HydrophobicContact CB-CB 4.21Å; F37-N58 VanDerWaalsContact CD1-C 3.48Å; F37-N58 HydrophobicContact CD1-CB 3.75Å; F37-N58 WeakPolarHBondContact CD1-O 3.47Å; F37-N58 HydrophobicContact CD2-CB 3.81Å; F37-N58 HydrophobicContact CE1-CB 4.04Å; F37-N58 HydrophobicContact CE2-CB 4.12Å; F37-N58 HydrophobicContact CG-CB 3.62Å; F37-N58 HydrophobicContact CZ-CB 4.23Å; F37-E61 HydrophobicContact CB-CB 4.3Å; F37-E61 WeakPolarHBondContact O-CB 3.48Å
38T94.2Very high95.2Very high83 Ų8334.7 Ų34.751%0.50920%0.204SC..G310 helixtrans-88.7-10.5173.770.60000112.6R13 G35 L36 S40R13-T38 PolarHBondContact NH2-OG1 3.26Å; G35-T38 WeakPolarHBondContact O-CB 3.28Å; G35-T38 PolarHBondContact O-N 2.95Å; G35-T38 PolarHBondContact O-OG1 3.44Å; L36-T38 PolarHBondContact O-N 3.12Å; L36-T38 VanDerWaalsContact O-N 3.13Å; T38-S40 PolarHBondContact O-N 3.39Å
39L94.3Very high95.4Very high1 Ų136.5 Ų36.51%0.00521%0.207CC..  trans-8066.2-179.6-56.7179.4000110.7V9 R13 V20 L36 H41 I42V9-L39 HydrophobicContact CG1-CD1 4Å; V9-L39 HydrophobicContact CG1-CD2 3.96Å; V9-L39 HydrophobicContact CG1-CG 4.1Å; V9-L39 HydrophobicContact CG2-CD1 4.48Å; R13-L39 HydrophobicContact CB-CD2 3.83Å; R13-L39 HydrophobicContact CG-CD2 4.44Å; V20-L39 HydrophobicContact CG2-CD1 3.86Å; L36-L39 HydrophobicContact CD1-CD1 4.49Å; L36-L39 WeakPolarHBondContact O-CB 3.22Å; L36-L39 WeakPolarHBondContact O-CG 3.42Å; L36-L39 PolarHBondContact O-N 2.92Å; L36-L39 VanDerWaalsContact O-N 3.15Å; L39-H41 PolarHBondContact O-N 3.3Å; L39-H41 VanDerWaalsContact O-N 3.13Å; L39-I42 HydrophobicContact CB-CD1 4.29Å; L39-I42 HydrophobicContact CB-CG2 3.76Å; L39-I42 HydrophobicContact CD1-CG2 4.28Å; L39-I42 WeakPolarHBondContact O-CG1 3.38Å; L39-I42 PolarHBondContact O-N 3.37Å
40S91.5Very high95.6Very high67 Ų6734.2 Ų34.247%0.46920%0.195SC..THydrogen-bonded Turntrans-65.9-14.8-175.962.20000113.9T38 N64T38-S40 PolarHBondContact O-N 3.39Å; S40-N64 WeakPolarHBondContact O-CB 3.43Å; S40-N64 PolarHBondContact O-ND2 3.02Å
41H94.4Very high95.7Very high53 Ų5339.9 Ų39.925%0.24522%0.22CC..THydrogen-bonded Turntrans-80.6-16178.664.7-75.9000114.1S12 L17 L39S12-H41 PolarHBondContact O-NE2 2.95Å; S12-H41 VanDerWaalsContact O-NE2 3.12Å; L17-H41 PolarHBondContact O-CD2 3.36Å; L17-H41 PolarHBondContact O-NE2 2.9Å; L17-H41 VanDerWaalsContact O-NE2 3.16Å; L39-H41 PolarHBondContact O-N 3.3Å; L39-H41 VanDerWaalsContact O-N 3.13Å
42I97.6Very high95.8Very high0 Ų035.4 Ų35.40%020%0.196CC..  trans-72.8144.1-174.374.9-177.5000110.9V20 L39 L45 L62 N64 L65V20-I42 HydrophobicContact CG2-CD1 4.31Å; V20-I42 HydrophobicContact CG2-CG2 3.81Å; L39-I42 HydrophobicContact CB-CD1 4.29Å; L39-I42 HydrophobicContact CB-CG2 3.76Å; L39-I42 HydrophobicContact CD1-CG2 4.28Å; L39-I42 WeakPolarHBondContact O-CG1 3.38Å; L39-I42 PolarHBondContact O-N 3.37Å; I42-L45 HydrophobicContact CD1-CB 4.38Å; I42-L62 HydrophobicContact CD1-CD1 4.07Å; I42-L62 HydrophobicContact CD1-CD2 3.93Å; I42-L62 HydrophobicContact CG1-CD2 4.17Å; I42-N64 CarbonylContact O-C 3.15Å; I42-L65 HydrophobicContact CG1-CD1 4.28Å
43T98.3Very high95.9Very high34 Ų3433.2 Ų33.221%0.20919%0.186CC..SBendtrans-111.5-20.617761.90000111.4P18 N64 E66 V67P18-T43 PolarHBondContact O-N 3.33Å; P18-T43 PolarHBondContact O-OG1 3.2Å; P18-T43 VanDerWaalsContact O-OG1 3.12Å; T43-N64 WeakPolarHBondContact CA-O 3.41Å; T43-E66 WeakPolarHBondContact O-CA 3.4Å; T43-E66 PolarHBondContact O-N 3.38Å; T43-V67 PolarHBondContact O-N 2.77Å
44Q98.6Very high96Very high65 Ų6534.8 Ų34.830%0.30420%0.199SC..EExtended strand (participates in β ladder)trans-133.4128.7-179.1-51.9-168.347.600111P18 E19 V20 V67P18-Q44 PolarHBondContact O-N 2.86Å; E19-Q44 WeakPolarHBondContact CA-O 3.14Å; E19-Q44 HydrophobicContact CB-CB 4.07Å; E19-Q44 HydrophobicContact CG-CB 3.95Å; V20-Q44 PolarHBondContact N-O 3.32Å; Q44-V67 WeakPolarHBondContact CA-O 3.43Å; Q44-V67 HydrophobicContact CB-CB 4.14Å; Q44-V67 HydrophobicContact CG-CB 3.88Å; Q44-V67 HydrophobicContact CG-CG2 3.93Å
45L98.4Very high96.2Very high0 Ų032.8 Ų32.80%019%0.186CC..EExtended strand (participates in β ladder)trans-126.8117.9174.4177.659.4000109.5V20 M30 L36 I42 L47 I59 L62 L65 V67 L68 N69V20-L45 HydrophobicContact CB-CD1 4.18Å; V20-L45 HydrophobicContact CG1-CD1 4.16Å; M30-L45 HydrophobicContact CE-CD2 4.13Å; L36-L45 HydrophobicContact CD1-CD1 3.92Å; L36-L45 HydrophobicContact CD1-CD2 4.42Å; L36-L45 HydrophobicContact CD2-CD2 4.33Å; I42-L45 HydrophobicContact CD1-CB 4.38Å; L45-L47 HydrophobicContact CD1-CD1 4.04Å; L45-L47 HydrophobicContact CD1-CG 4.07Å; L45-L47 HydrophobicContact CD2-CD1 3.91Å; L45-L47 HydrophobicContact CG-CD1 3.95Å; L45-L47 HydrophobicContact CG-CG 4.27Å; L45-I59 HydrophobicContact CD2-CD1 4.25Å; L45-L62 HydrophobicContact CD2-CD1 3.79Å; L45-L65 HydrophobicContact CB-CD1 3.77Å; L45-V67 PolarHBondContact N-O 2.73Å; L45-L68 HydrophobicContact CB-CD1 4.16Å; L45-L68 HydrophobicContact CD2-CD1 4.06Å; L45-L68 HydrophobicContact CG-CD1 4.17Å; L45-N69 PolarHBondContact O-N 3.16Å
46V98.3Very high96.3Very high15 Ų1531.9 Ų31.99%0.09118%0.175CC..EExtended strand (participates in β ladder)trans-117.9112.5-179.5-174.40000109.4V20 E21 M22 C23 N69V20-V46 PolarHBondContact O-N 2.95Å; E21-V46 HydrophobicContact CB-CB 4.38Å; E21-V46 HydrophobicContact CG-CB 4.08Å; E21-V46 HydrophobicContact CG-CG1 4.21Å; M22-V46 PolarHBondContact N-O 3.46Å; C23-V46 WeakPolarHBondContact SG-CG1 3.47Å; V46-N69 HydrophobicContact CB-CB 4.44Å; V46-N69 HydrophobicContact CG1-CB 4.12Å; V46-N69 HydrophobicContact CG2-CB 4.22Å
47L97.8Very high96.4Very high0 Ų034.9 Ų34.90%020%0.195CC..  trans-123.432.5178-70.4159.5000110.9M22 I27 M30 I33 L45 N50 L52 N69 L70 N73M22-L47 HydrophobicContact CB-CD2 3.7Å; M22-L47 HydrophobicContact CG-CD2 4.46Å; M22-L47 HydrophobicContact SD-CD2 4.27Å; I27-L47 HydrophobicContact CD1-CD2 3.75Å; M30-L47 HydrophobicContact CE-CD1 3.57Å; M30-L47 HydrophobicContact CG-CD1 4.27Å; M30-L47 HydrophobicContact SD-CD1 4.19Å; I33-L47 HydrophobicContact CD1-CD2 3.78Å; L45-L47 HydrophobicContact CD1-CD1 4.04Å; L45-L47 HydrophobicContact CD1-CG 4.07Å; L45-L47 HydrophobicContact CD2-CD1 3.91Å; L45-L47 HydrophobicContact CG-CD1 3.95Å; L45-L47 HydrophobicContact CG-CG 4.27Å; L47-N50 VanDerWaalsContact C-ND2 3.34Å; L47-N50 PolarHBondContact O-ND2 3.22Å; L47-L52 HydrophobicContact CB-CD1 4.01Å; L47-L52 HydrophobicContact CD1-CD1 4.23Å; L47-N69 PolarHBondContact N-O 3.02Å; L47-L70 HydrophobicContact CB-CD2 3.82Å; L47-L70 HydrophobicContact CD1-CD2 4.05Å; L47-N73 PolarHBondContact O-ND2 2.92Å
48S97.8Very high96.5Very high12 Ų1236.8 Ų36.88%0.08421%0.206CC..  trans-66.4156.1-177.172.90000112.9C23 D24 N50 F71C23-S48 VanDerWaalsContact CA-O 3.31Å; C23-S48 WeakPolarHBondContact CA-O 3.39Å; C23-S48 PolarHBondContact SG-OG 3.41Å; D24-S48 PolarHBondContact N-O 3.26Å; S48-N50 VanDerWaalsContact C-N 3.35Å; S48-N50 PolarHBondContact O-N 2.88Å; S48-N50 PolarHBondContact O-ND2 3.01Å; S48-F71 CarbonylContact C-O 3.53Å; S48-F71 WeakPolarHBondContact CA-O 3.47Å; S48-F71 WeakPolarHBondContact CB-O 3.22Å
49H97.1Very high96.6Very high85 Ų8532.9 Ų32.939%0.39418%0.182SC..SBendtrans57.541.6178.8-61.2-98.3000113.7D24 F71 N72D24-H49 WeakPolarHBondContact CA-O 3.47Å; D24-H49 HydrophobicContact CB-CB 4.3Å; H49-F71 AromaticContact CE1-CE1 3.98Å; H49-F71 PolarHBondContact N-O 3.13Å; H49-F71 AromaticContact NE2-CD1 3.7Å; H49-F71 AromaticContact NE2-CE1 3.65Å; H49-N72 VanDerWaalsContact CA-O 3.26Å; H49-N72 WeakPolarHBondContact CA-O 3.41Å; H49-N72 PolarHBondContact CE1-ND2 2.83Å; H49-N72 PolarHBondContact N-O 3.34Å; H49-N72 PolarHBondContact ND1-ND2 2.99Å
50N96.6Very high96.6Very high10 Ų1034 Ų345%0.05319%0.19CC..SBendtrans-113.6-165.2176.2-80.2-68.5000110.8M22 R25 G26 I27 L47 S48 L52 N72 N73M22-N50 PolarHBondContact O-ND2 2.81Å; R25-N50 PolarHBondContact N-OD1 3.18Å; R25-N50 VanDerWaalsContact N-OD1 3.1Å; G26-N50 PolarHBondContact N-OD1 3.24Å; G26-N50 VanDerWaalsContact N-OD1 3.08Å; I27-N50 HydrophobicContact CB-CB 4.23Å; I27-N50 WeakPolarHBondContact CB-OD1 3.32Å; I27-N50 WeakPolarHBondContact CG1-OD1 3.09Å; I27-N50 PolarHBondContact N-OD1 2.6Å; L47-N50 VanDerWaalsContact C-ND2 3.34Å; L47-N50 PolarHBondContact O-ND2 3.22Å; S48-N50 VanDerWaalsContact C-N 3.35Å; S48-N50 PolarHBondContact O-N 2.88Å; S48-N50 PolarHBondContact O-ND2 3.01Å; N50-L52 HydrophobicContact CB-CG 4.3Å; N50-N72 PolarHBondContact N-O 2.95Å; N50-N73 VanDerWaalsContact CA-OD1 3.26Å; N50-N73 WeakPolarHBondContact CA-OD1 3.25Å; N50-N73 WeakPolarHBondContact CB-OD1 3.37Å; N50-N73 PolarHBondContact N-OD1 3.12Å; N50-N73 PolarHBondContact O-OD1 3.28Å
51K96.1Very high96.9Very high119 Ų11935.1 Ų35.152%0.51719%0.188SC..  trans-119.728-178.9-59.2-179.8-178.7177.60111.2I27 S28 T53 N73I27-K51 CarbonylContact O-C 3.25Å; I27-K51 VanDerWaalsContact O-C 3.25Å; I27-K51 WeakPolarHBondContact O-CA 3.36Å; I27-K51 PolarHBondContact O-N 3.06Å; S28-K51 WeakPolarHBondContact CA-O 3.16Å; K51-T53 PolarHBondContact O-N 3.32Å; K51-N73 PolarHBondContact N-OD1 3.15Å
52L96.6Very high97Very high0 Ų032.6 Ų32.60%018%0.176CC..  trans-64.6127.3-177.1-63.5176.1000110I27 M30 L47 N50 L70 N73 Q74 I75I27-L52 HydrophobicContact CB-CD2 4.37Å; I27-L52 HydrophobicContact CG2-CD2 3.72Å; I27-L52 PolarHBondContact O-N 3.34Å; M30-L52 HydrophobicContact CG-CD1 3.79Å; M30-L52 HydrophobicContact CG-CD2 3.62Å; M30-L52 HydrophobicContact CG-CG 4.33Å; M30-L52 HydrophobicContact SD-CD1 4.18Å; L47-L52 HydrophobicContact CB-CD1 4.01Å; L47-L52 HydrophobicContact CD1-CD1 4.23Å; N50-L52 HydrophobicContact CB-CG 4.3Å; L52-L70 HydrophobicContact CD1-CD2 4.09Å; L52-N73 HydrophobicContact CB-CB 4.2Å; L52-N73 WeakPolarHBondContact CB-OD1 3.17Å; L52-N73 WeakPolarHBondContact CG-OD1 3.43Å; L52-N73 PolarHBondContact N-OD1 2.79Å; L52-Q74 CarbonylContact O-C 3.48Å; L52-Q74 WeakPolarHBondContact O-CA 3.34Å; L52-Q74 WeakPolarHBondContact O-CB 3.35Å; L52-Q74 PolarHBondContact O-N 3.2Å; L52-I75 HydrophobicContact CB-CG1 4.14Å; L52-I75 WeakPolarHBondContact O-CG1 3.48Å; L52-I75 PolarHBondContact O-N 3.02Å; L52-I75 VanDerWaalsContact O-N 3.08Å
53T95Very high96.9Very high42 Ų4239.3 Ų39.326%0.25821%0.205SC..  trans-98.5-20178.459.50000113.4K51 Q74 I75 E76 L274K51-T53 PolarHBondContact O-N 3.32Å; T53-Q74 WeakPolarHBondContact CA-O 3.44Å; T53-Q74 HydrophobicContact CG2-CB 4.29Å; T53-I75 WeakPolarHBondContact O-CA 3.43Å; T53-E76 PolarHBondContact O-N 2.98Å; T53-L274 HydrophobicContact CG2-CD1 3.92Å
54A95.4Very high96.9Very high35 Ų3540.2 Ų40.229%0.28921%0.209SC..BIsolated β-bridgetrans-153.5158.2178.800000110.5
55V97.4Very high96.9Very high6 Ų637.2 Ų37.24%0.03620%0.195CC..  trans-101.3124.5169.2179.20000108.1M30 I59 L70 I75 L78 P79M30-V55 HydrophobicContact SD-CB 4.42Å; M30-V55 HydrophobicContact SD-CG1 4.1Å; M30-V55 HydrophobicContact SD-CG2 4.29Å; V55-I59 HydrophobicContact CG1-CB 3.86Å; V55-I59 HydrophobicContact CG1-CD1 4.42Å; V55-I59 HydrophobicContact CG1-CG1 4.12Å; V55-I59 HydrophobicContact CG1-CG2 3.96Å; V55-L70 HydrophobicContact CG2-CD1 3.5Å; V55-I75 HydrophobicContact CG2-CD1 3.97Å; V55-I75 HydrophobicContact CG2-CG2 4.41Å; V55-L78 HydrophobicContact CB-CD2 4.28Å; V55-L78 HydrophobicContact CG2-CD2 3.79Å; V55-P79 HydrophobicContact CB-CG 4.29Å; V55-P79 HydrophobicContact CG1-CG 4.12Å; V55-P79 WeakPolarHBondContact O-CD 3.2Å; V55-P79 VanDerWaalsContact O-CG 3.32Å; V55-P79 WeakPolarHBondContact O-CG 3.47Å
56P96.7Very high96.9Very high11 Ų1140 Ų407%0.07121%0.208CC..  trans-73.5151.6-179.930.3-34.4000111.1M30 L31 F37 N58 I59M30-P56 HydrophobicContact CB-CG 3.94Å; L31-P56 HydrophobicContact CD1-CB 4.41Å; L31-P56 HydrophobicContact CD2-CB 3.85Å; L31-P56 HydrophobicContact CD2-CG 4.04Å; L31-P56 HydrophobicContact CG-CB 4.02Å; L31-P56 HydrophobicContact CG-CG 4.21Å; F37-P56 HydrophobicContact CE1-CG 4.11Å; F37-P56 HydrophobicContact CE2-CG 4.14Å; F37-P56 HydrophobicContact CZ-CG 3.43Å; F37-P56 VanDerWaalsContact CZ-CG 3.43Å; P56-N58 PolarHBondContact O-N 3.41Å; P56-I59 WeakPolarHBondContact O-CG2 3.4Å; P56-I59 PolarHBondContact O-N 3.21Å
57P97Very high96.9Very high64 Ų6440.9 Ų40.942%0.41621%0.213SC..G310 helixtrans-52-29175-30.637.4000114.5I59 S60 P79 Q81P57-I59 PolarHBondContact O-N 3.5Å; P57-S60 PolarHBondContact O-N 3.22Å; P57-S60 VanDerWaalsContact O-N 3.15Å; P57-S60 PolarHBondContact O-OG 3.07Å; P57-P79 HydrophobicContact CB-CB 4.44Å; P57-P79 HydrophobicContact CG-CB 4.11Å; P57-Q81 HydrophobicContact CB-CB 4.46Å; P57-Q81 HydrophobicContact CB-CG 4.07Å
58N96.9Very high96.9Very high71 Ų7140.9 Ų40.938%0.3821%0.213SC..G310 helixtrans-57.6-12.1177-60.188.8000114.5F37 P56 S60 E61F37-N58 HydrophobicContact CB-CB 4.21Å; F37-N58 VanDerWaalsContact CD1-C 3.48Å; F37-N58 HydrophobicContact CD1-CB 3.75Å; F37-N58 WeakPolarHBondContact CD1-O 3.47Å; F37-N58 HydrophobicContact CD2-CB 3.81Å; F37-N58 HydrophobicContact CE1-CB 4.04Å; F37-N58 HydrophobicContact CE2-CB 4.12Å; F37-N58 HydrophobicContact CG-CB 3.62Å; F37-N58 HydrophobicContact CZ-CB 4.23Å; P56-N58 PolarHBondContact O-N 3.41Å; N58-S60 PolarHBondContact O-N 3.31Å; N58-S60 VanDerWaalsContact O-N 3.13Å; N58-E61 WeakPolarHBondContact O-CB 3.45Å; N58-E61 WeakPolarHBondContact O-CG 3.44Å; N58-E61 PolarHBondContact O-N 2.84Å
59I96.8Very high97Very high0 Ų042.1 Ų42.10%022%0.219CC..G310 helixtrans-53.3-30.1171.2-164.471.1000112.1M30 L45 V55 P56 P57 E61 L62 L68 P79 L85M30-I59 HydrophobicContact CE-CD1 3.92Å; L45-I59 HydrophobicContact CD2-CD1 4.25Å; V55-I59 HydrophobicContact CG1-CB 3.86Å; V55-I59 HydrophobicContact CG1-CD1 4.42Å; V55-I59 HydrophobicContact CG1-CG1 4.12Å; V55-I59 HydrophobicContact CG1-CG2 3.96Å; P56-I59 WeakPolarHBondContact O-CG2 3.4Å; P56-I59 PolarHBondContact O-N 3.21Å; P57-I59 PolarHBondContact O-N 3.5Å; I59-E61 PolarHBondContact O-N 3.08Å; I59-L62 HydrophobicContact CD1-CD1 3.91Å; I59-L62 PolarHBondContact O-N 3.38Å; I59-L68 HydrophobicContact CD1-CD1 4.4Å; I59-L68 HydrophobicContact CD1-CD2 4.17Å; I59-L68 HydrophobicContact CG1-CD2 4.2Å; I59-P79 HydrophobicContact CG2-CG 4.04Å; I59-L85 HydrophobicContact CG1-CD1 4.31Å
60S95.4Very high97.1Very high25 Ų2538 Ų3818%0.17520%0.2CC..G310 helixtrans-64.7-16.9176.8570000114.9P57 N58 L62 S84P57-S60 PolarHBondContact O-N 3.22Å; P57-S60 VanDerWaalsContact O-N 3.15Å; P57-S60 PolarHBondContact O-OG 3.07Å; N58-S60 PolarHBondContact O-N 3.31Å; N58-S60 VanDerWaalsContact O-N 3.13Å; S60-L62 PolarHBondContact O-N 3.34Å; S60-S84 WeakPolarHBondContact CB-OG 3.18Å
61E96.8Very high97.2Very high91 Ų9140.2 Ų40.243%0.42521%0.209SC..G310 helixtrans-71-20.2176.5-60.8-53.3140.200112.4F37 N58 I59 K63F37-E61 HydrophobicContact CB-CB 4.3Å; F37-E61 WeakPolarHBondContact O-CB 3.48Å; N58-E61 WeakPolarHBondContact O-CB 3.45Å; N58-E61 WeakPolarHBondContact O-CG 3.44Å; N58-E61 PolarHBondContact O-N 2.84Å; I59-E61 PolarHBondContact O-N 3.08Å; E61-K63 PolarHBondContact O-N 2.99Å
62L96.9Very high97.2Very high0 Ų037 Ų370%020%0.198CC..  trans-80.363.2176.3-55.3179.5000110.6I42 L45 I59 S60 N64 L65I42-L62 HydrophobicContact CD1-CD1 4.07Å; I42-L62 HydrophobicContact CD1-CD2 3.93Å; I42-L62 HydrophobicContact CG1-CD2 4.17Å; L45-L62 HydrophobicContact CD2-CD1 3.79Å; I59-L62 HydrophobicContact CD1-CD1 3.91Å; I59-L62 PolarHBondContact O-N 3.38Å; S60-L62 PolarHBondContact O-N 3.34Å; L62-N64 PolarHBondContact O-N 3.43Å; L62-L65 HydrophobicContact CB-CB 4.07Å; L62-L65 HydrophobicContact CB-CD2 4.4Å; L62-L65 HydrophobicContact CD1-CD2 4.28Å; L62-L65 WeakPolarHBondContact O-CB 3.16Å; L62-L65 PolarHBondContact O-N 2.69Å
63K95.1Very high97.3Very high140 Ų14037.5 Ų37.561%0.60920%0.2SC*.THydrogen-bonded Turntrans-60-21.8-170.6-62.3178.8-174.5177.70114.7E61E61-K63 PolarHBondContact O-N 2.99Å
64N97.6Very high97.4Very high54 Ų5438.5 Ų38.529%0.28920%0.202SC..THydrogen-bonded Turntrans-97.14.1179.6-69.8-53.1000114S40 I42 T43 L62 E66 K87S40-N64 WeakPolarHBondContact O-CB 3.43Å; S40-N64 PolarHBondContact O-ND2 3.02Å; I42-N64 CarbonylContact O-C 3.15Å; T43-N64 WeakPolarHBondContact CA-O 3.41Å; L62-N64 PolarHBondContact O-N 3.43Å; N64-E66 PolarHBondContact O-N 2.96Å; N64-K87 PolarHBondContact OD1-NZ 3.29Å
65L98.4Very high97.5Very high1 Ų136.8 Ų36.81%0.00519%0.188CC..  trans-65.7122.9-175.8-161.570.5000111.5I42 L45 L62 V67 L68 L85 K87 L88I42-L65 HydrophobicContact CG1-CD1 4.28Å; L45-L65 HydrophobicContact CB-CD1 3.77Å; L62-L65 HydrophobicContact CB-CB 4.07Å; L62-L65 HydrophobicContact CB-CD2 4.4Å; L62-L65 HydrophobicContact CD1-CD2 4.28Å; L62-L65 WeakPolarHBondContact O-CB 3.16Å; L62-L65 PolarHBondContact O-N 2.69Å; L65-V67 WeakPolarHBondContact CD1-O 3.35Å; L65-L68 HydrophobicContact CD2-CB 3.92Å; L65-L68 HydrophobicContact CD2-CD1 4.26Å; L65-L68 HydrophobicContact CD2-CD2 4.3Å; L65-L68 HydrophobicContact CD2-CG 4.39Å; L65-L85 HydrophobicContact CD2-CD1 4.29Å; L65-K87 CarbonylContact O-C 3.55Å; L65-L88 HydrophobicContact CD2-CD1 4.39Å; L65-L88 HydrophobicContact CG-CD1 4.36Å; L65-L88 WeakPolarHBondContact O-CA 3.43Å; L65-L88 PolarHBondContact O-N 2.58Å; L65-L88 VanDerWaalsContact O-N 3.13Å
66E98.7Very high97.4Very high60 Ų6041 Ų4128%0.2821%0.207SC..  trans-107-32.6176.3-56.6-162.3-174.500112T43 N64 K87 K89 H90T43-E66 WeakPolarHBondContact O-CA 3.4Å; T43-E66 PolarHBondContact O-N 3.38Å; N64-E66 PolarHBondContact O-N 2.96Å; E66-K87 WeakPolarHBondContact CA-O 3.48Å; E66-K87 HydrophobicContact CG-CB 4.2Å; E66-K89 PolarHBondContact O-N 3.01Å; E66-K89 IonicContact OE1-NZ 3.62Å; E66-K89 IonicContact OE2-NZ 3.5Å; E66-K89 PolarHBondContact OE2-NZ 3.16Å; E66-H90 PolarHBondContact O-N 3.26Å
67V98.8Very high97.3Very high33 Ų3346.9 Ų46.920%0.223%0.234CC..EExtended strand (participates in β ladder)trans-126.7123.2-179.5-175.90000109.9T43 Q44 L45 L65 H90T43-V67 PolarHBondContact O-N 2.77Å; Q44-V67 WeakPolarHBondContact CA-O 3.43Å; Q44-V67 HydrophobicContact CB-CB 4.14Å; Q44-V67 HydrophobicContact CG-CB 3.88Å; Q44-V67 HydrophobicContact CG-CG2 3.93Å; L45-V67 PolarHBondContact N-O 2.73Å; L65-V67 WeakPolarHBondContact CD1-O 3.35Å; V67-H90 WeakPolarHBondContact CA-O 3.13Å; V67-H90 HydrophobicContact CB-CB 4.44Å; V67-H90 HydrophobicContact CG1-CB 4.18Å; V67-H90 HydrophobicContact CG2-CB 4.16Å
68L98.8Very high97.3Very high0 Ų044.4 Ų44.40%022%0.217CC..EExtended strand (participates in β ladder)trans-123.2112.6171.1179.754.7000109.4L45 I59 L65 L70 I82 L88 H90 L91 N92L45-L68 HydrophobicContact CB-CD1 4.16Å; L45-L68 HydrophobicContact CD2-CD1 4.06Å; L45-L68 HydrophobicContact CG-CD1 4.17Å; I59-L68 HydrophobicContact CD1-CD1 4.4Å; I59-L68 HydrophobicContact CD1-CD2 4.17Å; I59-L68 HydrophobicContact CG1-CD2 4.2Å; L65-L68 HydrophobicContact CD2-CB 3.92Å; L65-L68 HydrophobicContact CD2-CD1 4.26Å; L65-L68 HydrophobicContact CD2-CD2 4.3Å; L65-L68 HydrophobicContact CD2-CG 4.39Å; L68-L70 HydrophobicContact CD1-CD1 4.23Å; L68-L70 HydrophobicContact CD1-CD2 3.95Å; L68-L70 HydrophobicContact CD1-CG 3.9Å; L68-L70 HydrophobicContact CD2-CD1 4.11Å; L68-L70 HydrophobicContact CG-CD1 4.11Å; L68-L70 HydrophobicContact CG-CG 4.01Å; L68-I82 HydrophobicContact CD2-CD1 4.46Å; L68-L88 HydrophobicContact CB-CD1 3.82Å; L68-H90 PolarHBondContact N-O 3.21Å; L68-L91 HydrophobicContact CB-CD1 3.94Å; L68-L91 HydrophobicContact CD2-CD1 3.88Å; L68-L91 HydrophobicContact CG-CD1 3.93Å; L68-L91 WeakPolarHBondContact O-CA 3.17Å; L68-N92 PolarHBondContact O-N 2.96Å
69N98.8Very high97.3Very high37 Ų3741.7 Ų41.720%0.19820%0.203CC..EExtended strand (participates in β ladder)trans-113.1110.7177.9-174.9-9.5000110.7L45 V46 L47 F71 N92L45-N69 PolarHBondContact O-N 3.16Å; V46-N69 HydrophobicContact CB-CB 4.44Å; V46-N69 HydrophobicContact CG1-CB 4.12Å; V46-N69 HydrophobicContact CG2-CB 4.22Å; L47-N69 PolarHBondContact N-O 3.02Å; N69-F71 WeakPolarHBondContact OD1-CB 3.41Å; N69-F71 PolarHBondContact OD1-N 3.2Å; N69-N92 HydrophobicContact CB-CB 4.43Å
70L98.6Very high97.2Very high0 Ų045.3 Ų45.30%023%0.226CC..  trans-118.623.3178.1-59.4177.6000111.3L47 L52 V55 L68 N73 I75 N92 L93 N96L47-L70 HydrophobicContact CB-CD2 3.82Å; L47-L70 HydrophobicContact CD1-CD2 4.05Å; L52-L70 HydrophobicContact CD1-CD2 4.09Å; V55-L70 HydrophobicContact CG2-CD1 3.5Å; L68-L70 HydrophobicContact CD1-CD1 4.23Å; L68-L70 HydrophobicContact CD1-CD2 3.95Å; L68-L70 HydrophobicContact CD1-CG 3.9Å; L68-L70 HydrophobicContact CD2-CD1 4.11Å; L68-L70 HydrophobicContact CG-CD1 4.11Å; L68-L70 HydrophobicContact CG-CG 4.01Å; L70-N73 PolarHBondContact O-ND2 2.95Å; L70-I75 HydrophobicContact CB-CD1 3.77Å; L70-I75 HydrophobicContact CD1-CD1 3.74Å; L70-I75 HydrophobicContact CG-CD1 4.26Å; L70-N92 CarbonylContact C-O 3.5Å; L70-N92 WeakPolarHBondContact CA-O 3.45Å; L70-N92 PolarHBondContact N-O 2.82Å; L70-L93 HydrophobicContact CB-CD2 4.1Å; L70-L93 HydrophobicContact CD1-CD2 3.93Å; L70-N96 PolarHBondContact O-ND2 2.84Å
71F98.6Very high97.3Very high56 Ų5647.8 Ų47.825%0.24623%0.234CC..  trans-54.1140.1-179.4176.5-102.4000112.3S48 H49 N69 N73 G94 M95S48-F71 CarbonylContact C-O 3.53Å; S48-F71 WeakPolarHBondContact CA-O 3.47Å; S48-F71 WeakPolarHBondContact CB-O 3.22Å; H49-F71 AromaticContact CE1-CE1 3.98Å; H49-F71 PolarHBondContact N-O 3.13Å; H49-F71 AromaticContact NE2-CD1 3.7Å; H49-F71 AromaticContact NE2-CE1 3.65Å; N69-F71 WeakPolarHBondContact OD1-CB 3.41Å; N69-F71 PolarHBondContact OD1-N 3.2Å; F71-N73 PolarHBondContact O-ND2 3.37Å; F71-G94 CarbonylContact C-O 3.5Å; F71-G94 WeakPolarHBondContact CA-O 3.37Å; F71-G94 WeakPolarHBondContact CD2-O 3.42Å; F71-M95 HydrophobicContact CD2-CB 4.46Å; F71-M95 HydrophobicContact CE1-SD 4.23Å; F71-M95 HydrophobicContact CE2-CB 4.05Å; F71-M95 HydrophobicContact CE2-CG 3.68Å; F71-M95 HydrophobicContact CE2-SD 3.8Å; F71-M95 HydrophobicContact CZ-CB 4.41Å; F71-M95 HydrophobicContact CZ-CG 3.94Å; F71-M95 HydrophobicContact CZ-SD 3.38Å; F71-M95 WeakPolarHBondContact CZ-SD 3.39Å
72N97.8Very high97.3Very high52 Ų5243.4 Ų43.428%0.27821%0.214SC..SBendtrans55.266.8176.7-168.230.7000112.7H49 N50 G94 M95H49-N72 VanDerWaalsContact CA-O 3.26Å; H49-N72 WeakPolarHBondContact CA-O 3.41Å; H49-N72 PolarHBondContact CE1-ND2 2.83Å; H49-N72 PolarHBondContact N-O 3.34Å; H49-N72 PolarHBondContact ND1-ND2 2.99Å; N50-N72 PolarHBondContact N-O 2.95Å; N72-G94 PolarHBondContact N-O 2.92Å; N72-M95 VanDerWaalsContact CA-O 3.25Å; N72-M95 WeakPolarHBondContact CA-O 3.24Å; N72-M95 HydrophobicContact CB-CB 4.11Å
73N97.9Very high97.2Very high9 Ų944.1 Ų44.15%0.04822%0.219CC..SBendtrans-130.1-162.7174.3-86.9-79.3000109.3L47 N50 K51 L52 L70 F71 I75 M95 N96L47-N73 PolarHBondContact O-ND2 2.92Å; N50-N73 VanDerWaalsContact CA-OD1 3.26Å; N50-N73 WeakPolarHBondContact CA-OD1 3.25Å; N50-N73 WeakPolarHBondContact CB-OD1 3.37Å; N50-N73 PolarHBondContact N-OD1 3.12Å; N50-N73 PolarHBondContact O-OD1 3.28Å; K51-N73 PolarHBondContact N-OD1 3.15Å; L52-N73 HydrophobicContact CB-CB 4.2Å; L52-N73 WeakPolarHBondContact CB-OD1 3.17Å; L52-N73 WeakPolarHBondContact CG-OD1 3.43Å; L52-N73 PolarHBondContact N-OD1 2.79Å; L70-N73 PolarHBondContact O-ND2 2.95Å; F71-N73 PolarHBondContact O-ND2 3.37Å; N73-I75 HydrophobicContact CB-CD1 4.16Å; N73-I75 HydrophobicContact CB-CG1 4.07Å; N73-M95 PolarHBondContact N-O 2.98Å; N73-M95 VanDerWaalsContact N-O 3.12Å; N73-N96 WeakPolarHBondContact CA-OD1 3.39Å; N73-N96 WeakPolarHBondContact CB-OD1 3.33Å; N73-N96 PolarHBondContact O-OD1 3.29Å
74Q97.2Very high97.2Very high63 Ų6340 Ų4029%0.29421%0.208SC..  trans-122.428.1-178.7-63.2175.6-4.700111.2L52 T53 E76 N96 L274L52-Q74 CarbonylContact O-C 3.48Å; L52-Q74 WeakPolarHBondContact O-CA 3.34Å; L52-Q74 WeakPolarHBondContact O-CB 3.35Å; L52-Q74 PolarHBondContact O-N 3.2Å; T53-Q74 WeakPolarHBondContact CA-O 3.44Å; T53-Q74 HydrophobicContact CG2-CB 4.29Å; Q74-E76 PolarHBondContact O-N 2.81Å; Q74-N96 PolarHBondContact N-OD1 2.83Å; Q74-L274 HydrophobicContact CB-CD2 3.98Å; Q74-L274 HydrophobicContact CG-CD2 4.17Å
75I97.6Very high97.2Very high0 Ų037.6 Ų37.60%020%0.195CC..  trans-69.7121.1-170.4-60.6166.3000109.8L52 T53 V55 L70 N73 E77 L78 L93 N96 R97 L98L52-I75 HydrophobicContact CB-CG1 4.14Å; L52-I75 WeakPolarHBondContact O-CG1 3.48Å; L52-I75 PolarHBondContact O-N 3.02Å; L52-I75 VanDerWaalsContact O-N 3.08Å; T53-I75 WeakPolarHBondContact O-CA 3.43Å; V55-I75 HydrophobicContact CG2-CD1 3.97Å; V55-I75 HydrophobicContact CG2-CG2 4.41Å; L70-I75 HydrophobicContact CB-CD1 3.77Å; L70-I75 HydrophobicContact CD1-CD1 3.74Å; L70-I75 HydrophobicContact CG-CD1 4.26Å; N73-I75 HydrophobicContact CB-CD1 4.16Å; N73-I75 HydrophobicContact CB-CG1 4.07Å; I75-E77 VanDerWaalsContact CG2-O 3.24Å; I75-E77 WeakPolarHBondContact CG2-O 3.39Å; I75-L78 HydrophobicContact CG2-CD2 4.11Å; I75-L93 HydrophobicContact CD1-CD2 4.35Å; I75-N96 HydrophobicContact CB-CB 4.31Å; I75-N96 WeakPolarHBondContact CB-OD1 3.42Å; I75-N96 WeakPolarHBondContact CG1-OD1 3.11Å; I75-N96 PolarHBondContact N-OD1 2.69Å; I75-R97 CarbonylContact O-C 3.55Å; I75-R97 VanDerWaalsContact O-C 3.3Å; I75-R97 WeakPolarHBondContact O-CA 3.43Å; I75-R97 WeakPolarHBondContact O-CB 3.1Å; I75-R97 PolarHBondContact O-N 2.85Å; I75-L98 HydrophobicContact CG2-CD2 3.92Å; I75-L98 PolarHBondContact O-N 3.2Å
76E95.4Very high97Very high94 Ų9443.1 Ų43.144%0.43922%0.221SC..  trans-93.8-32178.6-67.1179.4179.400112.1T53 Q74 R97 L274T53-E76 PolarHBondContact O-N 2.98Å; Q74-E76 PolarHBondContact O-N 2.81Å; E76-R97 HydrophobicContact CG-CB 3.93Å; E76-L274 WeakPolarHBondContact OE1-CD1 3.42Å
77E93.6Very high97Very high135 Ų13544.6 Ų44.663%0.63123%0.226SC*.BIsolated β-bridgetrans-145.2156.3-179.763.9177.4-165.500113.2I75I75-E77 VanDerWaalsContact CG2-O 3.24Å; I75-E77 WeakPolarHBondContact CG2-O 3.39Å
78L97.3Very high97Very high11 Ų1143 Ų436%0.05822%0.216CC..  trans-111.9145.6171.2-58.1170.5000110.1V55 I75 I82 L93 L98 L101 P102 F105V55-L78 HydrophobicContact CB-CD2 4.28Å; V55-L78 HydrophobicContact CG2-CD2 3.79Å; I75-L78 HydrophobicContact CG2-CD2 4.11Å; L78-I82 HydrophobicContact CD1-CD1 4.17Å; L78-I82 HydrophobicContact CD2-CD1 4.29Å; L78-L93 HydrophobicContact CD1-CD1 3.57Å; L78-L93 HydrophobicContact CD2-CD1 4.41Å; L78-L93 HydrophobicContact CD2-CD2 3.85Å; L78-L98 HydrophobicContact CG-CD2 4.05Å; L78-L101 HydrophobicContact CD1-CD2 3.99Å; L78-P102 HydrophobicContact CB-CG 3.99Å; L78-F105 HydrophobicContact CD1-CE2 4Å
79P96.8Very high97Very high15 Ų1546.1 Ų46.110%0.09723%0.23CC..  trans-73.2148176.732.3-34.6000109.8V55 P57 I59 Q81 I82V55-P79 HydrophobicContact CB-CG 4.29Å; V55-P79 HydrophobicContact CG1-CG 4.12Å; V55-P79 WeakPolarHBondContact O-CD 3.2Å; V55-P79 VanDerWaalsContact O-CG 3.32Å; V55-P79 WeakPolarHBondContact O-CG 3.47Å; P57-P79 HydrophobicContact CB-CB 4.44Å; P57-P79 HydrophobicContact CG-CB 4.11Å; I59-P79 HydrophobicContact CG2-CG 4.04Å; P79-Q81 PolarHBondContact O-N 3.38Å; P79-Q81 VanDerWaalsContact O-N 3.14Å; P79-I82 WeakPolarHBondContact O-CB 3.41Å; P79-I82 WeakPolarHBondContact O-CG2 3.42Å; P79-I82 PolarHBondContact O-N 3.47Å; P79-I82 VanDerWaalsContact O-N 3.08Å
80T96.1Very high97Very high76 Ų7647.7 Ų47.747%0.46624%0.236SC..G310 helixtrans-59.4-28.8177.152.70000112.4I82 S83 P102T80-I82 PolarHBondContact O-N 2.97Å; T80-S83 WeakPolarHBondContact O-CB 3.1Å; T80-S83 PolarHBondContact O-N 3.13Å; T80-S83 PolarHBondContact O-OG 3.03Å; T80-P102 HydrophobicContact CG2-CB 3.94Å
81Q96.9Very high97Very high76 Ų7647.8 Ų47.836%0.35524%0.237SC..G310 helixtrans-61-19.4177.4-68.578.37.200113.7P57 P79 S83 S84P57-Q81 HydrophobicContact CB-CB 4.46Å; P57-Q81 HydrophobicContact CB-CG 4.07Å; P79-Q81 PolarHBondContact O-N 3.38Å; P79-Q81 VanDerWaalsContact O-N 3.14Å; Q81-S83 PolarHBondContact O-N 3.07Å; Q81-S83 VanDerWaalsContact O-N 3.16Å; Q81-S84 WeakPolarHBondContact O-CB 3.33Å; Q81-S84 PolarHBondContact O-N 3.32Å; Q81-S84 PolarHBondContact O-OG 3.22Å
82I96.5Very high97Very high0 Ų047 Ų470%024%0.235CC..G310 helixtrans-56.5-32.9174.7-160.5171.9000111.5L68 L78 P79 T80 S84 L85 L91 P102 F105 L108L68-I82 HydrophobicContact CD2-CD1 4.46Å; L78-I82 HydrophobicContact CD1-CD1 4.17Å; L78-I82 HydrophobicContact CD2-CD1 4.29Å; P79-I82 WeakPolarHBondContact O-CB 3.41Å; P79-I82 WeakPolarHBondContact O-CG2 3.42Å; P79-I82 PolarHBondContact O-N 3.47Å; P79-I82 VanDerWaalsContact O-N 3.08Å; T80-I82 PolarHBondContact O-N 2.97Å; I82-S84 PolarHBondContact O-N 3.24Å; I82-S84 VanDerWaalsContact O-N 3.13Å; I82-L85 HydrophobicContact CG1-CD1 4.06Å; I82-L85 WeakPolarHBondContact O-CB 3.39Å; I82-L85 WeakPolarHBondContact O-CG 3.24Å; I82-L85 PolarHBondContact O-N 2.92Å; I82-L91 HydrophobicContact CD1-CD1 4.45Å; I82-L91 HydrophobicContact CD1-CD2 4.05Å; I82-P102 HydrophobicContact CG2-CG 4.05Å; I82-F105 HydrophobicContact CG2-CD2 4.13Å; I82-F105 HydrophobicContact CG2-CE2 4.38Å; I82-L108 WeakPolarHBondContact O-CD2 3.37Å
83S94.6Very high97.1Very high15 Ų1544.5 Ų44.511%0.10522%0.222CC..G310 helixtrans-67.9-11-179.8-37.40000113.5T80 Q81 G104 F105T80-S83 WeakPolarHBondContact O-CB 3.1Å; T80-S83 PolarHBondContact O-N 3.13Å; T80-S83 PolarHBondContact O-OG 3.03Å; Q81-S83 PolarHBondContact O-N 3.07Å; Q81-S83 VanDerWaalsContact O-N 3.16Å; S83-G104 WeakPolarHBondContact CB-O 3.4Å; S83-G104 VanDerWaalsContact OG-C 3.28Å; S83-G104 PolarHBondContact OG-O 2.97Å; S83-F105 PolarHBondContact OG-N 2.9Å
84S95.1Very high97.1Very high54 Ų5444.1 Ų44.138%0.37822%0.219SC..G310 helixtrans-83.4-9.7177.471.40000113.7S60 Q81 I82 Q86S60-S84 WeakPolarHBondContact CB-OG 3.18Å; Q81-S84 WeakPolarHBondContact O-CB 3.33Å; Q81-S84 PolarHBondContact O-N 3.32Å; Q81-S84 PolarHBondContact O-OG 3.22Å; I82-S84 PolarHBondContact O-N 3.24Å; I82-S84 VanDerWaalsContact O-N 3.13Å; S84-Q86 WeakPolarHBondContact O-CG 3.4Å; S84-Q86 PolarHBondContact O-N 3.22Å; S84-Q86 PolarHBondContact O-NE2 2.68Å
85L96.8Very high97.1Very high2 Ų244.1 Ų44.11%0.0122%0.22CC..  trans-7290.4-178.3-64.6174.2000110.9I59 L65 I82 K87 L88 L108I59-L85 HydrophobicContact CG1-CD1 4.31Å; L65-L85 HydrophobicContact CD2-CD1 4.29Å; I82-L85 HydrophobicContact CG1-CD1 4.06Å; I82-L85 WeakPolarHBondContact O-CB 3.39Å; I82-L85 WeakPolarHBondContact O-CG 3.24Å; I82-L85 PolarHBondContact O-N 2.92Å; L85-K87 PolarHBondContact O-N 3.3Å; L85-L88 HydrophobicContact CB-CB 3.83Å; L85-L88 HydrophobicContact CB-CD2 4.46Å; L85-L88 HydrophobicContact CD1-CD2 4.04Å; L85-L88 PolarHBondContact O-N 3.01Å; L85-L108 HydrophobicContact CB-CD2 4.41Å
86Q96.1Very high97.2Very high118 Ų11844.2 Ų44.255%0.55122%0.221SC*.THydrogen-bonded Turntrans-64.7-23.6-171-59.8-55.8-63.400114.3S84 P109S84-Q86 WeakPolarHBondContact O-CG 3.4Å; S84-Q86 PolarHBondContact O-N 3.22Å; S84-Q86 PolarHBondContact O-NE2 2.68Å; Q86-P109 WeakPolarHBondContact O-CG 3.4Å
87K98.2Very high97.2Very high90 Ų9040.9 Ų40.939%0.39120%0.204SC..THydrogen-bonded Turntrans-105-1.1-176.8-60.5-166.9-175.4174.50113.9N64 L65 E66 L85 K89N64-K87 PolarHBondContact OD1-NZ 3.29Å; L65-K87 CarbonylContact O-C 3.55Å; E66-K87 WeakPolarHBondContact CA-O 3.48Å; E66-K87 HydrophobicContact CG-CB 4.2Å; L85-K87 PolarHBondContact O-N 3.3Å; K87-K89 PolarHBondContact O-N 3.14Å; K87-K89 VanDerWaalsContact O-N 3.15Å
88L98.6Very high97.4Very high0 Ų034.5 Ų34.50%017%0.174CC..  trans-67.8115.6-174.4-171.371.6000110.2L65 L68 L85 L91 L108 A110 L111L65-L88 HydrophobicContact CD2-CD1 4.39Å; L65-L88 HydrophobicContact CG-CD1 4.36Å; L65-L88 WeakPolarHBondContact O-CA 3.43Å; L65-L88 PolarHBondContact O-N 2.58Å; L65-L88 VanDerWaalsContact O-N 3.13Å; L68-L88 HydrophobicContact CB-CD1 3.82Å; L85-L88 HydrophobicContact CB-CB 3.83Å; L85-L88 HydrophobicContact CB-CD2 4.46Å; L85-L88 HydrophobicContact CD1-CD2 4.04Å; L85-L88 PolarHBondContact O-N 3.01Å; L88-L91 HydrophobicContact CD2-CB 4.2Å; L88-L91 HydrophobicContact CD2-CD2 4.24Å; L88-L108 HydrophobicContact CD2-CD2 4.37Å; L88-A110 CarbonylContact O-C 3.25Å; L88-A110 VanDerWaalsContact O-C 3.25Å; L88-L111 HydrophobicContact CD2-CD1 4.33Å; L88-L111 HydrophobicContact CG-CD1 4.24Å; L88-L111 VanDerWaalsContact O-CA 3.3Å; L88-L111 WeakPolarHBondContact O-CA 3.32Å; L88-L111 PolarHBondContact O-N 3.21Å
89K98.8Very high97.3Very high65 Ų6537.6 Ų37.628%0.28320%0.197SC..  trans-104.9-35.6179.9-67.8171.1-170.2160.90112.1E66 K87 A110 E112 V113E66-K89 PolarHBondContact O-N 3.01Å; E66-K89 IonicContact OE1-NZ 3.62Å; E66-K89 IonicContact OE2-NZ 3.5Å; E66-K89 PolarHBondContact OE2-NZ 3.16Å; K87-K89 PolarHBondContact O-N 3.14Å; K87-K89 VanDerWaalsContact O-N 3.15Å; K89-A110 WeakPolarHBondContact CA-O 3.2Å; K89-A110 HydrophobicContact CG-CB 4.47Å; K89-E112 PolarHBondContact O-N 3.06Å; K89-V113 PolarHBondContact O-N 2.98Å
90H98.9Very high97.3Very high71 Ų7137.5 Ų37.533%0.32920%0.198SC..EExtended strand (participates in β ladder)trans-126.6119.5-175.1-56.1-81000110.4E66 V67 L68 V113E66-H90 PolarHBondContact O-N 3.26Å; V67-H90 WeakPolarHBondContact CA-O 3.13Å; V67-H90 HydrophobicContact CB-CB 4.44Å; V67-H90 HydrophobicContact CG1-CB 4.18Å; V67-H90 HydrophobicContact CG2-CB 4.16Å; L68-H90 PolarHBondContact N-O 3.21Å; H90-V113 WeakPolarHBondContact ND1-CB 3.46Å; H90-V113 VanDerWaalsContact ND1-CG2 3.27Å; H90-V113 WeakPolarHBondContact ND1-CG2 3.35Å
91L98.8Very high97.3Very high2 Ų234.4 Ų34.41%0.0118%0.179CC..EExtended strand (participates in β ladder)trans-125.3111.9176.5179.955.4000109.6L68 I82 L88 L93 F105 L111 V113 L114 D115L68-L91 HydrophobicContact CB-CD1 3.94Å; L68-L91 HydrophobicContact CD2-CD1 3.88Å; L68-L91 HydrophobicContact CG-CD1 3.93Å; L68-L91 WeakPolarHBondContact O-CA 3.17Å; I82-L91 HydrophobicContact CD1-CD1 4.45Å; I82-L91 HydrophobicContact CD1-CD2 4.05Å; L88-L91 HydrophobicContact CD2-CB 4.2Å; L88-L91 HydrophobicContact CD2-CD2 4.24Å; L91-L93 HydrophobicContact CD1-CD1 4.02Å; L91-L93 HydrophobicContact CD1-CD2 4.48Å; L91-L93 HydrophobicContact CD1-CG 3.94Å; L91-L93 HydrophobicContact CD2-CD1 3.76Å; L91-L93 HydrophobicContact CG-CD1 3.74Å; L91-L93 HydrophobicContact CG-CG 4.02Å; L91-F105 HydrophobicContact CD2-CE2 4Å; L91-F105 HydrophobicContact CD2-CZ 3.82Å; L91-L111 HydrophobicContact CB-CD1 3.83Å; L91-V113 PolarHBondContact N-O 3.05Å; L91-L114 HydrophobicContact CB-CD1 4.08Å; L91-L114 HydrophobicContact CD2-CD1 4Å; L91-L114 HydrophobicContact CG-CD1 4.03Å; L91-L114 WeakPolarHBondContact O-CA 3.35Å; L91-D115 PolarHBondContact O-N 3.12Å
92N98.8Very high97.2Very high39 Ų3931.5 Ų31.521%0.20917%0.167CC..EExtended strand (participates in β ladder)trans-106.6114.2174.4-171.1-19.4000110.3L68 N69 L70 G94 D115L68-N92 PolarHBondContact O-N 2.96Å; N69-N92 HydrophobicContact CB-CB 4.43Å; L70-N92 CarbonylContact C-O 3.5Å; L70-N92 WeakPolarHBondContact CA-O 3.45Å; L70-N92 PolarHBondContact N-O 2.82Å; N92-G94 PolarHBondContact OD1-N 2.94Å; N92-D115 HydrophobicContact CB-CB 4.48Å
93L98.6Very high97Very high0 Ų042 Ų420%021%0.207CC..  trans-12318.7177.5-70.9161.9000110.9L70 I75 L78 L91 N96 L98 D115 L116 N119L70-L93 HydrophobicContact CB-CD2 4.1Å; L70-L93 HydrophobicContact CD1-CD2 3.93Å; I75-L93 HydrophobicContact CD1-CD2 4.35Å; L78-L93 HydrophobicContact CD1-CD1 3.57Å; L78-L93 HydrophobicContact CD2-CD1 4.41Å; L78-L93 HydrophobicContact CD2-CD2 3.85Å; L91-L93 HydrophobicContact CD1-CD1 4.02Å; L91-L93 HydrophobicContact CD1-CD2 4.48Å; L91-L93 HydrophobicContact CD1-CG 3.94Å; L91-L93 HydrophobicContact CD2-CD1 3.76Å; L91-L93 HydrophobicContact CG-CD1 3.74Å; L91-L93 HydrophobicContact CG-CG 4.02Å; L93-N96 WeakPolarHBondContact O-CB 3.46Å; L93-N96 PolarHBondContact O-ND2 3.4Å; L93-L98 HydrophobicContact CB-CD1 4.02Å; L93-L98 HydrophobicContact CD1-CD1 4.06Å; L93-L98 HydrophobicContact CD2-CD1 4.42Å; L93-L98 HydrophobicContact CG-CD1 4.42Å; L93-D115 CarbonylContact C-O 3.01Å; L93-D115 WeakPolarHBondContact CA-O 3.29Å; L93-D115 WeakPolarHBondContact CB-O 3.27Å; L93-D115 PolarHBondContact N-O 3.39Å; L93-L116 HydrophobicContact CB-CD2 3.9Å; L93-L116 HydrophobicContact CD1-CD2 3.84Å; L93-N119 PolarHBondContact O-ND2 3.41Å
94G98.4Very high96.8Very high0 Ų042.4 Ų42.40%021%0.213CC..  trans-60.8150.2179.200000112.1F71 N72 N92 N96 D115 T117F71-G94 CarbonylContact C-O 3.5Å; F71-G94 WeakPolarHBondContact CA-O 3.37Å; F71-G94 WeakPolarHBondContact CD2-O 3.42Å; N72-G94 PolarHBondContact N-O 2.92Å; N92-G94 PolarHBondContact OD1-N 2.94Å; G94-N96 PolarHBondContact O-ND2 3.29Å; G94-D115 PolarHBondContact N-O 2.75Å; G94-T117 CarbonylContact C-O 3.51Å; G94-T117 WeakPolarHBondContact CA-O 3.47Å
95M97.9Very high96.8Very high63 Ų6339.9 Ų39.931%0.3120%0.195SC..SBendtrans53.958.3-177.9-63.9-172.869.800112.8F71 N72 N73 T117 Y118F71-M95 HydrophobicContact CD2-CB 4.46Å; F71-M95 HydrophobicContact CE1-SD 4.23Å; F71-M95 HydrophobicContact CE2-CB 4.05Å; F71-M95 HydrophobicContact CE2-CG 3.68Å; F71-M95 HydrophobicContact CE2-SD 3.8Å; F71-M95 HydrophobicContact CZ-CB 4.41Å; F71-M95 HydrophobicContact CZ-CG 3.94Å; F71-M95 HydrophobicContact CZ-SD 3.38Å; F71-M95 WeakPolarHBondContact CZ-SD 3.39Å; N72-M95 VanDerWaalsContact CA-O 3.25Å; N72-M95 WeakPolarHBondContact CA-O 3.24Å; N72-M95 HydrophobicContact CB-CB 4.11Å; N73-M95 PolarHBondContact N-O 2.98Å; N73-M95 VanDerWaalsContact N-O 3.12Å; M95-T117 PolarHBondContact N-O 2.76Å; M95-Y118 WeakPolarHBondContact CA-O 3.33Å; M95-Y118 HydrophobicContact CB-CD1 4.49Å; M95-Y118 HydrophobicContact CG-CD1 4.31Å; M95-Y118 HydrophobicContact CG-CG 4.24Å
96N98.1Very high96.7Very high2 Ų240 Ų401%0.01120%0.196CC..SBendtrans-126.8-158.3174.5-84.1-74.7000110.2L70 N73 Q74 I75 L93 G94 L98 Y118 N119 S270L70-N96 PolarHBondContact O-ND2 2.84Å; N73-N96 WeakPolarHBondContact CA-OD1 3.39Å; N73-N96 WeakPolarHBondContact CB-OD1 3.33Å; N73-N96 PolarHBondContact O-OD1 3.29Å; Q74-N96 PolarHBondContact N-OD1 2.83Å; I75-N96 HydrophobicContact CB-CB 4.31Å; I75-N96 WeakPolarHBondContact CB-OD1 3.42Å; I75-N96 WeakPolarHBondContact CG1-OD1 3.11Å; I75-N96 PolarHBondContact N-OD1 2.69Å; L93-N96 WeakPolarHBondContact O-CB 3.46Å; L93-N96 PolarHBondContact O-ND2 3.4Å; G94-N96 PolarHBondContact O-ND2 3.29Å; N96-L98 HydrophobicContact CB-CG 4.47Å; N96-Y118 PolarHBondContact N-O 3.42Å; N96-N119 WeakPolarHBondContact CA-OD1 3.46Å; N96-N119 WeakPolarHBondContact CB-OD1 3.5Å; N96-S270 WeakPolarHBondContact O-CB 3.47Å
97R97.3Very high96.6Very high25 Ų2537.9 Ų37.99%0.09420%0.195CC..  trans-125.315.6-174.7-55.7-174.9166.7-139.4-11.7112.7I75 E76 S99 N119 N120 I269 K272 L274I75-R97 CarbonylContact O-C 3.55Å; I75-R97 VanDerWaalsContact O-C 3.3Å; I75-R97 WeakPolarHBondContact O-CA 3.43Å; I75-R97 WeakPolarHBondContact O-CB 3.1Å; I75-R97 PolarHBondContact O-N 2.85Å; E76-R97 HydrophobicContact CG-CB 3.93Å; R97-S99 PolarHBondContact O-N 2.82Å; R97-N119 PolarHBondContact N-OD1 2.88Å; R97-N120 PolarHBondContact O-ND2 3.13Å; R97-N120 VanDerWaalsContact O-ND2 3.16Å; R97-I269 PolarHBondContact NH2-O 2.76Å; R97-I269 VanDerWaalsContact NH2-O 3.07Å; R97-K272 VanDerWaalsContact CZ-O 3.23Å; R97-K272 PolarHBondContact NH1-O 2.94Å; R97-K272 PolarHBondContact NH2-O 2.94Å; R97-L274 VanDerWaalsContact CZ-CD2 3.44Å
98L97.1Very high96.5Very high0 Ų033.8 Ų33.80%018%0.177CC..  trans-59.4122.3-173.7-62.9170.5000110.2I75 L78 L93 N96 L101 L116 N119 N120 L121I75-L98 HydrophobicContact CG2-CD2 3.92Å; I75-L98 PolarHBondContact O-N 3.2Å; L78-L98 HydrophobicContact CG-CD2 4.05Å; L93-L98 HydrophobicContact CB-CD1 4.02Å; L93-L98 HydrophobicContact CD1-CD1 4.06Å; L93-L98 HydrophobicContact CD2-CD1 4.42Å; L93-L98 HydrophobicContact CG-CD1 4.42Å; N96-L98 HydrophobicContact CB-CG 4.47Å; L98-L101 HydrophobicContact CD1-CD2 4.42Å; L98-L116 HydrophobicContact CD1-CD2 3.83Å; L98-N119 HydrophobicContact CB-CB 4.22Å; L98-N119 WeakPolarHBondContact CB-OD1 3.35Å; L98-N119 WeakPolarHBondContact CG-OD1 3.49Å; L98-N119 PolarHBondContact N-OD1 3.2Å; L98-N120 CarbonylContact O-C 3.51Å; L98-N120 VanDerWaalsContact O-C 3.28Å; L98-N120 WeakPolarHBondContact O-CA 3.48Å; L98-N120 WeakPolarHBondContact O-CB 3.47Å; L98-N120 PolarHBondContact O-N 2.99Å; L98-L121 HydrophobicContact CB-CD2 4.23Å; L98-L121 PolarHBondContact O-N 3.15Å
99S94.9Very high96.3Very high77 Ų7736.8 Ų36.854%0.53820%0.197SC..SBendtrans-97-8.7167.958.10000112.5R97 S127R97-S99 PolarHBondContact O-N 2.82Å; S99-S127 WeakPolarHBondContact O-CB 3.26Å
100G95.9Very high96.2Very high12 Ų1234.9 Ų34.912%0.12419%0.193CC..  trans-172.3169172.500000114.5G126 S127G100-G126 WeakPolarHBondContact CA-O 3.11Å; G100-S127 CarbonylContact C-O 3.51Å; G100-S127 VanDerWaalsContact CA-O 3.25Å; G100-S127 WeakPolarHBondContact CA-O 3.46Å
101L96.7Very high96.2Very high11 Ų1131.5 Ų31.56%0.05818%0.178CC..  trans-106.5147177.3-58.8173.3000110.1L78 L98 F105 L116 S127 L128 P129 F132L78-L101 HydrophobicContact CD1-CD2 3.99Å; L98-L101 HydrophobicContact CD1-CD2 4.42Å; L101-F105 HydrophobicContact CB-CB 4.27Å; L101-F105 HydrophobicContact CB-CD1 4.5Å; L101-F105 HydrophobicContact CB-CD2 4.26Å; L101-F105 HydrophobicContact CB-CG 4.1Å; L101-F105 HydrophobicContact CD1-CD1 3.85Å; L101-F105 HydrophobicContact CD1-CE1 3.85Å; L101-F105 HydrophobicContact CD1-CG 4.26Å; L101-F105 HydrophobicContact CD1-CZ 4.25Å; L101-F105 HydrophobicContact CD2-CD2 4.41Å; L101-F105 HydrophobicContact CD2-CE2 4.13Å; L101-F105 HydrophobicContact CD2-CZ 4.25Å; L101-L116 HydrophobicContact CD1-CD1 3.96Å; L101-L116 HydrophobicContact CD2-CD1 4.48Å; L101-L116 HydrophobicContact CD2-CD2 4Å; L101-S127 PolarHBondContact N-O 3.01Å; L101-L128 HydrophobicContact CD1-CD2 3.87Å; L101-P129 HydrophobicContact CB-CG 4.35Å; L101-F132 HydrophobicContact CD1-CD2 3.69Å; L101-F132 HydrophobicContact CD1-CE2 3.53Å
102P95.1Very high96.2Very high16 Ų1634.1 Ų34.110%0.10419%0.19CC..  trans-67.3156.8-174.826.1-34.4000112.1L78 T80 I82 G104 F105L78-P102 HydrophobicContact CB-CG 3.99Å; T80-P102 HydrophobicContact CG2-CB 3.94Å; I82-P102 HydrophobicContact CG2-CG 4.05Å; P102-G104 PolarHBondContact O-N 2.92Å; P102-F105 HydrophobicContact CG-CB 4.5Å; P102-F105 HydrophobicContact CG-CD2 4.13Å; P102-F105 VanDerWaalsContact O-CB 3.27Å; P102-F105 WeakPolarHBondContact O-CB 3.48Å; P102-F105 PolarHBondContact O-N 2.99Å; P102-F105 VanDerWaalsContact O-N 3.17Å
103R91.8Very high96.2Very high221 Ų22134.1 Ų34.183%0.83419%0.191SC*.THydrogen-bonded Turntrans-56.8139.6170.2-67.1-176.6-176.6168.51.4110.1F105R103-F105 VanDerWaalsContact C-N 3.3Å
104G90.8Very high96.3Very high23 Ų2334.1 Ų34.124%0.23719%0.191CC..THydrogen-bonded Turntrans85.7-3.8-178.900000114.2S83 P102 G106 S107 N131S83-G104 WeakPolarHBondContact CB-O 3.4Å; S83-G104 VanDerWaalsContact OG-C 3.28Å; S83-G104 PolarHBondContact OG-O 2.97Å; P102-G104 PolarHBondContact O-N 2.92Å; G104-G106 PolarHBondContact O-N 2.91Å; G104-G106 VanDerWaalsContact O-N 3.07Å; G104-S107 VanDerWaalsContact O-CB 3.22Å; G104-S107 WeakPolarHBondContact O-CB 3.2Å; G104-S107 PolarHBondContact O-N 3.28Å; G104-S107 PolarHBondContact O-OG 2.93Å; G104-N131 WeakPolarHBondContact CA-ND2 3.48Å
105F95.1Very high96.3Very high0 Ų035.6 Ų35.60%020%0.199CC..G310 helixtrans-53.6-35.3-179.4-168.5-91.4000113.2L78 I82 S83 L91 L101 P102 R103 S107 L108 L114 P129 F132 L135L78-F105 HydrophobicContact CD1-CE2 4Å; I82-F105 HydrophobicContact CG2-CD2 4.13Å; I82-F105 HydrophobicContact CG2-CE2 4.38Å; S83-F105 PolarHBondContact OG-N 2.9Å; L91-F105 HydrophobicContact CD2-CE2 4Å; L91-F105 HydrophobicContact CD2-CZ 3.82Å; L101-F105 HydrophobicContact CB-CB 4.27Å; L101-F105 HydrophobicContact CB-CD1 4.5Å; L101-F105 HydrophobicContact CB-CD2 4.26Å; L101-F105 HydrophobicContact CB-CG 4.1Å; L101-F105 HydrophobicContact CD1-CD1 3.85Å; L101-F105 HydrophobicContact CD1-CE1 3.85Å; L101-F105 HydrophobicContact CD1-CG 4.26Å; L101-F105 HydrophobicContact CD1-CZ 4.25Å; L101-F105 HydrophobicContact CD2-CD2 4.41Å; L101-F105 HydrophobicContact CD2-CE2 4.13Å; L101-F105 HydrophobicContact CD2-CZ 4.25Å; P102-F105 HydrophobicContact CG-CB 4.5Å; P102-F105 HydrophobicContact CG-CD2 4.13Å; P102-F105 VanDerWaalsContact O-CB 3.27Å; P102-F105 WeakPolarHBondContact O-CB 3.48Å; P102-F105 PolarHBondContact O-N 2.99Å; P102-F105 VanDerWaalsContact O-N 3.17Å; R103-F105 VanDerWaalsContact C-N 3.3Å; F105-S107 PolarHBondContact O-N 3.05Å; F105-S107 VanDerWaalsContact O-N 3.1Å; F105-L108 HydrophobicContact CE1-CD1 4.48Å; F105-L108 HydrophobicContact CE2-CD1 4.37Å; F105-L108 HydrophobicContact CZ-CD1 4.31Å; F105-L108 PolarHBondContact O-N 3.49Å; F105-L114 HydrophobicContact CE1-CD1 4.46Å; F105-L114 HydrophobicContact CE1-CD2 3.7Å; F105-L114 HydrophobicContact CZ-CD1 4.04Å; F105-L114 HydrophobicContact CZ-CD2 4.12Å; F105-P129 HydrophobicContact CB-CG 4.01Å; F105-F132 HydrophobicContact CD1-CD2 4.01Å; F105-F132 HydrophobicContact CD1-CE2 4.23Å; F105-F132 HydrophobicContact CE1-CD2 4.38Å; F105-F132 HydrophobicContact CE1-CE2 4.14Å; F105-L135 HydrophobicContact CD1-CD1 4.17Å; F105-L135 HydrophobicContact CE1-CD1 4.16Å
106G94.3Very high96.3Very high4 Ų432.6 Ų32.64%0.04118%0.184CC..G310 helixtrans-67.4-1.7175.600000117G104 N131G104-G106 PolarHBondContact O-N 2.91Å; G104-G106 VanDerWaalsContact O-N 3.07Å; G106-N131 WeakPolarHBondContact CA-ND2 3.47Å; G106-N131 VanDerWaalsContact CA-O 3.28Å; G106-N131 WeakPolarHBondContact CA-O 3.48Å; G106-N131 PolarHBondContact N-ND2 3.48Å
107S93.9Very high96.3Very high75 Ų7534.2 Ų34.252%0.52419%0.194SC..G310 helixtrans-94.86.2-179.2-55.60000113.4G104 F105 P109 N131G104-S107 VanDerWaalsContact O-CB 3.22Å; G104-S107 WeakPolarHBondContact O-CB 3.2Å; G104-S107 PolarHBondContact O-N 3.28Å; G104-S107 PolarHBondContact O-OG 2.93Å; F105-S107 PolarHBondContact O-N 3.05Å; F105-S107 VanDerWaalsContact O-N 3.1Å; S107-P109 VanDerWaalsContact O-CD 3.28Å; S107-P109 WeakPolarHBondContact O-CD 3.26Å; S107-N131 PolarHBondContact OG-ND2 2.86Å
108L96.6Very high96.3Very high4 Ų435.2 Ų35.22%0.02120%0.198CC..  trans-67112.5174.2-74.3164.9000109.6I82 L85 L88 F105 A110 L111 L135I82-L108 WeakPolarHBondContact O-CD2 3.37Å; L85-L108 HydrophobicContact CB-CD2 4.41Å; L88-L108 HydrophobicContact CD2-CD2 4.37Å; F105-L108 HydrophobicContact CE1-CD1 4.48Å; F105-L108 HydrophobicContact CE2-CD1 4.37Å; F105-L108 HydrophobicContact CZ-CD1 4.31Å; F105-L108 PolarHBondContact O-N 3.49Å; L108-A110 VanDerWaalsContact C-N 3.34Å; L108-A110 PolarHBondContact O-N 3.23Å; L108-L111 HydrophobicContact CB-CB 3.96Å; L108-L111 HydrophobicContact CD1-CB 4.49Å; L108-L111 HydrophobicContact CD1-CD2 3.9Å; L108-L135 HydrophobicContact CB-CD2 3.83Å
109P94.6Very high96.4Very high63 Ų6335.2 Ų35.241%0.40920%0.198SC..THydrogen-bonded Turntrans-79.5-17.3-165.832.2-37.6000113.9Q86 S107 T137Q86-P109 WeakPolarHBondContact O-CG 3.4Å; S107-P109 VanDerWaalsContact O-CD 3.28Å; S107-P109 WeakPolarHBondContact O-CD 3.26Å; P109-T137 WeakPolarHBondContact O-CG2 3.26Å
110A97.8Very high96.4Very high25 Ų2532.7 Ų32.721%0.20718%0.179CC..THydrogen-bonded Turntrans-123.64.2-171.600000113.6L88 K89 L108 E112L88-A110 CarbonylContact O-C 3.25Å; L88-A110 VanDerWaalsContact O-C 3.25Å; K89-A110 WeakPolarHBondContact CA-O 3.2Å; K89-A110 HydrophobicContact CG-CB 4.47Å; L108-A110 VanDerWaalsContact C-N 3.34Å; L108-A110 PolarHBondContact O-N 3.23Å; A110-E112 PolarHBondContact O-N 3.02Å
111L98.6Very high96.4Very high0 Ų032.1 Ų32.10%017%0.173CC..  trans-68.4120.4-173.2-167.972.5000110.6L88 L91 L108 L114 L135 T137 L138L88-L111 HydrophobicContact CD2-CD1 4.33Å; L88-L111 HydrophobicContact CG-CD1 4.24Å; L88-L111 VanDerWaalsContact O-CA 3.3Å; L88-L111 WeakPolarHBondContact O-CA 3.32Å; L88-L111 PolarHBondContact O-N 3.21Å; L91-L111 HydrophobicContact CB-CD1 3.83Å; L108-L111 HydrophobicContact CB-CB 3.96Å; L108-L111 HydrophobicContact CD1-CB 4.49Å; L108-L111 HydrophobicContact CD1-CD2 3.9Å; L111-L114 HydrophobicContact CD2-CB 4.1Å; L111-L114 HydrophobicContact CD2-CD1 4.45Å; L111-L114 HydrophobicContact CD2-CD2 4.24Å; L111-L135 HydrophobicContact CD2-CD1 4.26Å; L111-L135 HydrophobicContact CD2-CD2 4.48Å; L111-T137 PolarHBondContact N-OG1 3.07Å; L111-T137 CarbonylContact O-C 3.21Å; L111-T137 VanDerWaalsContact O-CB 3.32Å; L111-T137 WeakPolarHBondContact O-CB 3.49Å; L111-T137 PolarHBondContact O-OG1 2.83Å; L111-L138 HydrophobicContact CD2-CD2 4.07Å; L111-L138 HydrophobicContact CG-CD2 4.05Å; L111-L138 PolarHBondContact O-N 2.67Å
112E98.8Very high96.3Very high57 Ų5733.3 Ų33.327%0.26618%0.179SC..  trans-108.5-35.4-179.3-67.5-172.8-15100112.1K89 A110 R139 A140K89-E112 PolarHBondContact O-N 3.06Å; A110-E112 PolarHBondContact O-N 3.02Å; E112-R139 WeakPolarHBondContact O-CA 3.44Å; E112-R139 PolarHBondContact O-N 2.93Å; E112-R139 WeakPolarHBondContact OE2-CD 3.45Å; E112-R139 IonicContact OE2-NH1 2.74Å; E112-R139 PolarHBondContact OE2-NH1 2.93Å; E112-A140 PolarHBondContact O-N 2.81Å
113V98.9Very high95.9Very high38 Ų3835.9 Ų35.923%0.2319%0.19CC..EExtended strand (participates in β ladder)trans-129123.9-177.5-178.20000109.8K89 H90 L91 A140 Y142K89-V113 PolarHBondContact O-N 2.98Å; H90-V113 WeakPolarHBondContact ND1-CB 3.46Å; H90-V113 VanDerWaalsContact ND1-CG2 3.27Å; H90-V113 WeakPolarHBondContact ND1-CG2 3.35Å; L91-V113 PolarHBondContact N-O 3.05Å; V113-A140 WeakPolarHBondContact CA-O 3.3Å; V113-A140 HydrophobicContact CG1-CB 4.19Å; V113-A140 HydrophobicContact CG2-CB 4.21Å; V113-Y142 HydrophobicContact CG1-CE2 4.28Å
114L98.9Very high95.7Very high0 Ų029.8 Ų29.80%017%0.174CC..EExtended strand (participates in β ladder)trans-128.1116.7176.2179.158000110L91 F105 L111 L116 F132 L138 A140 L141 Y142L91-L114 HydrophobicContact CB-CD1 4.08Å; L91-L114 HydrophobicContact CD2-CD1 4Å; L91-L114 HydrophobicContact CG-CD1 4.03Å; L91-L114 WeakPolarHBondContact O-CA 3.35Å; F105-L114 HydrophobicContact CE1-CD1 4.46Å; F105-L114 HydrophobicContact CE1-CD2 3.7Å; F105-L114 HydrophobicContact CZ-CD1 4.04Å; F105-L114 HydrophobicContact CZ-CD2 4.12Å; L111-L114 HydrophobicContact CD2-CB 4.1Å; L111-L114 HydrophobicContact CD2-CD1 4.45Å; L111-L114 HydrophobicContact CD2-CD2 4.24Å; L114-L116 HydrophobicContact CD1-CD1 4.18Å; L114-L116 HydrophobicContact CD1-CD2 4.31Å; L114-L116 HydrophobicContact CD1-CG 3.94Å; L114-L116 HydrophobicContact CD2-CD1 3.75Å; L114-L116 HydrophobicContact CD2-CG 4.39Å; L114-L116 HydrophobicContact CG-CD1 3.87Å; L114-L116 HydrophobicContact CG-CG 3.96Å; L114-F132 HydrophobicContact CD2-CE2 3.83Å; L114-F132 HydrophobicContact CD2-CZ 4.03Å; L114-L138 HydrophobicContact CB-CD2 3.84Å; L114-A140 PolarHBondContact N-O 3.15Å; L114-L141 HydrophobicContact CB-CD1 4.18Å; L114-L141 HydrophobicContact CD2-CD1 4Å; L114-L141 HydrophobicContact CG-CD1 4.15Å; L114-Y142 PolarHBondContact O-N 2.9Å
115D98.9Very high94.7Very high31 Ų3134.1 Ų34.117%0.16620%0.201CC..EExtended strand (participates in β ladder)trans-109.3115.6173-169.6-6.8000110.6L91 N92 L93 G94 T117 Y142L91-D115 PolarHBondContact O-N 3.12Å; N92-D115 HydrophobicContact CB-CB 4.48Å; L93-D115 CarbonylContact C-O 3.01Å; L93-D115 WeakPolarHBondContact CA-O 3.29Å; L93-D115 WeakPolarHBondContact CB-O 3.27Å; L93-D115 PolarHBondContact N-O 3.39Å; G94-D115 PolarHBondContact N-O 2.75Å; D115-T117 WeakPolarHBondContact OD1-CB 3.34Å; D115-T117 PolarHBondContact OD1-N 3.41Å; D115-T117 PolarHBondContact OD1-OG1 3.38Å; D115-Y142 HydrophobicContact CB-CD2 4.1Å; D115-Y142 WeakPolarHBondContact OD1-CB 3.03Å
116L98.6Very high93.9Very high0 Ų037 Ų370%023%0.23CC..  trans-121.719.7177-67.9165.6000110.9L93 L98 L101 L114 N119 L121 Y142 L143 N146L93-L116 HydrophobicContact CB-CD2 3.9Å; L93-L116 HydrophobicContact CD1-CD2 3.84Å; L98-L116 HydrophobicContact CD1-CD2 3.83Å; L101-L116 HydrophobicContact CD1-CD1 3.96Å; L101-L116 HydrophobicContact CD2-CD1 4.48Å; L101-L116 HydrophobicContact CD2-CD2 4Å; L114-L116 HydrophobicContact CD1-CD1 4.18Å; L114-L116 HydrophobicContact CD1-CD2 4.31Å; L114-L116 HydrophobicContact CD1-CG 3.94Å; L114-L116 HydrophobicContact CD2-CD1 3.75Å; L114-L116 HydrophobicContact CD2-CG 4.39Å; L114-L116 HydrophobicContact CG-CD1 3.87Å; L114-L116 HydrophobicContact CG-CG 3.96Å; L116-N119 PolarHBondContact O-ND2 3.19Å; L116-L121 HydrophobicContact CB-CD1 3.86Å; L116-L121 HydrophobicContact CD1-CD1 3.85Å; L116-L121 HydrophobicContact CD2-CD1 4.19Å; L116-L121 HydrophobicContact CG-CD1 4.2Å; L116-Y142 CarbonylContact C-O 3.45Å; L116-Y142 WeakPolarHBondContact CA-O 3.32Å; L116-Y142 PolarHBondContact N-O 2.67Å; L116-L143 HydrophobicContact CB-CD2 4.02Å; L116-L143 HydrophobicContact CD1-CD2 3.91Å; L116-N146 PolarHBondContact O-ND2 3.48Å
117T98.5Very high93.6Very high37 Ų3736.9 Ų36.923%0.22723%0.229CC..  trans-56.2141.1-179.6-61.20000111.2G94 M95 D115 N119 Y142 S144G94-T117 CarbonylContact C-O 3.51Å; G94-T117 WeakPolarHBondContact CA-O 3.47Å; M95-T117 PolarHBondContact N-O 2.76Å; D115-T117 WeakPolarHBondContact OD1-CB 3.34Å; D115-T117 PolarHBondContact OD1-N 3.41Å; D115-T117 PolarHBondContact OD1-OG1 3.38Å; T117-N119 PolarHBondContact O-ND2 2.87Å; T117-Y142 PolarHBondContact N-O 3.34Å; T117-Y142 WeakPolarHBondContact OG1-CB 3.36Å; T117-S144 CarbonylContact C-O 3.6Å; T117-S144 VanDerWaalsContact CA-O 3.26Å; T117-S144 WeakPolarHBondContact CA-O 3.46Å
118Y97.7Very high93.4Very high46 Ų4634 Ų3418%0.1821%0.207CC..SBendtrans57.662177.2-157.6-82.1000112M95 N96 S144 D145 I269M95-Y118 WeakPolarHBondContact CA-O 3.33Å; M95-Y118 HydrophobicContact CB-CD1 4.49Å; M95-Y118 HydrophobicContact CG-CD1 4.31Å; M95-Y118 HydrophobicContact CG-CG 4.24Å; N96-Y118 PolarHBondContact N-O 3.42Å; Y118-S144 PolarHBondContact N-O 2.92Å; Y118-D145 VanDerWaalsContact CA-O 3.24Å; Y118-D145 WeakPolarHBondContact CA-O 3.24Å; Y118-D145 HydrophobicContact CD2-CB 4.1Å; Y118-D145 WeakPolarHBondContact CD2-OD2 3.33Å; Y118-D145 PolarHBondContact N-O 3.46Å; Y118-I269 HydrophobicContact CE1-CB 4.29Å; Y118-I269 PolarHBondContact OH-N 2.98Å
119N97.6Very high93Very high0 Ų034.3 Ų34.30%021%0.21CC..SBendtrans-126.8-165.1170-82.5-77.5000109.4L93 N96 R97 L98 L116 T117 L121 D145 N146 K268L93-N119 PolarHBondContact O-ND2 3.41Å; N96-N119 WeakPolarHBondContact CA-OD1 3.46Å; N96-N119 WeakPolarHBondContact CB-OD1 3.5Å; R97-N119 PolarHBondContact N-OD1 2.88Å; L98-N119 HydrophobicContact CB-CB 4.22Å; L98-N119 WeakPolarHBondContact CB-OD1 3.35Å; L98-N119 WeakPolarHBondContact CG-OD1 3.49Å; L98-N119 PolarHBondContact N-OD1 3.2Å; L116-N119 PolarHBondContact O-ND2 3.19Å; T117-N119 PolarHBondContact O-ND2 2.87Å; N119-L121 HydrophobicContact CB-CD1 4.43Å; N119-L121 HydrophobicContact CB-CG 4.14Å; N119-D145 PolarHBondContact N-O 3.3Å; N119-N146 WeakPolarHBondContact CA-OD1 3.1Å; N119-N146 VanDerWaalsContact CB-OD1 3.24Å; N119-N146 WeakPolarHBondContact CB-OD1 3.28Å; N119-N146 PolarHBondContact N-OD1 3.02Å; N119-N146 PolarHBondContact O-OD1 2.98Å; N119-K268 PolarHBondContact O-NZ 3.49Å
120N95.8Very high92.4Very high24 Ų2434.5 Ų34.513%0.12822%0.223CC..  trans-115.430.1178.9-54.4-46.5000111R97 L98 N146 S270 R271R97-N120 PolarHBondContact O-ND2 3.13Å; R97-N120 VanDerWaalsContact O-ND2 3.16Å; L98-N120 CarbonylContact O-C 3.51Å; L98-N120 VanDerWaalsContact O-C 3.28Å; L98-N120 WeakPolarHBondContact O-CA 3.48Å; L98-N120 WeakPolarHBondContact O-CB 3.47Å; L98-N120 PolarHBondContact O-N 2.99Å; N120-N146 PolarHBondContact N-OD1 3.37Å; N120-S270 PolarHBondContact ND2-O 3.36Å; N120-S270 WeakPolarHBondContact OD1-CB 3.37Å; N120-S270 PolarHBondContact OD1-OG 3.33Å; N120-R271 WeakPolarHBondContact OD1-CG 3.47Å
121L96.3Very high92.1Very high0 Ų034.8 Ų34.80%022%0.221CC..  trans-76.9147.9-177.4-60.5172.5000110.9L98 L116 N119 S127 L143 N146 D147 F148L98-L121 HydrophobicContact CB-CD2 4.23Å; L98-L121 PolarHBondContact O-N 3.15Å; L116-L121 HydrophobicContact CB-CD1 3.86Å; L116-L121 HydrophobicContact CD1-CD1 3.85Å; L116-L121 HydrophobicContact CD2-CD1 4.19Å; L116-L121 HydrophobicContact CG-CD1 4.2Å; N119-L121 HydrophobicContact CB-CD1 4.43Å; N119-L121 HydrophobicContact CB-CG 4.14Å; L121-S127 WeakPolarHBondContact CA-OG 3.41Å; L121-L143 HydrophobicContact CD1-CD2 4.37Å; L121-N146 HydrophobicContact CB-CB 4.39Å; L121-N146 WeakPolarHBondContact CB-OD1 3.28Å; L121-N146 PolarHBondContact N-OD1 2.8Å; L121-N146 WeakPolarHBondContact O-CB 3.44Å; L121-D147 WeakPolarHBondContact O-CA 3.38Å; L121-D147 WeakPolarHBondContact O-CB 3.24Å; L121-D147 PolarHBondContact O-N 3.49Å; L121-F148 HydrophobicContact CB-CE2 3.87Å; L121-F148 HydrophobicContact CB-CZ 3.9Å
122N93.8Very high92Very high36 Ų3634.8 Ų34.819%0.19322%0.221CC..  trans-142.6-176.2175.656.964.6000110.9N124 S127 D147 F148N122-N124 VanDerWaalsContact C-N 3.3Å; N122-N124 PolarHBondContact O-N 2.74Å; N122-N124 WeakPolarHBondContact OD1-CB 3.46Å; N122-N124 VanDerWaalsContact OD1-CG 3.25Å; N122-N124 PolarHBondContact OD1-N 2.7Å; N122-N124 PolarHBondContact OD1-ND2 2.74Å; N122-S127 PolarHBondContact N-OG 3.28Å; N122-S127 WeakPolarHBondContact O-CB 3.35Å; N122-S127 PolarHBondContact O-OG 3.48Å; N122-S127 WeakPolarHBondContact OD1-CB 3.47Å; N122-D147 HydrophobicContact CB-CB 4.13Å; N122-F148 WeakPolarHBondContact O-CE1 3.5Å
123Q86.6Confident91.8Very high69 Ų6932.5 Ų32.532%0.32221%0.21SC..SBendtrans-75.8-7.5-178.770.2-75-20.200115.5F148 L150Q123-F148 HydrophobicContact CB-CD1 4.36Å; Q123-L150 WeakPolarHBondContact CB-O 3.48Å
124N86.9Confident91.6Very high93 Ų9337.7 Ų37.750%0.49723%0.227SC..SBendtrans-68.5153-174.8-60-27.7000110.7N122 G126 S127 L128N122-N124 VanDerWaalsContact C-N 3.3Å; N122-N124 PolarHBondContact O-N 2.74Å; N122-N124 WeakPolarHBondContact OD1-CB 3.46Å; N122-N124 VanDerWaalsContact OD1-CG 3.25Å; N122-N124 PolarHBondContact OD1-N 2.7Å; N122-N124 PolarHBondContact OD1-ND2 2.74Å; N124-G126 PolarHBondContact O-N 2.68Å; N124-S127 WeakPolarHBondContact O-CB 3.27Å; N124-S127 PolarHBondContact O-N 2.65Å; N124-L128 PolarHBondContact O-N 3.25Å
125S71.4Confident91.5Very high115 Ų11537.7 Ų37.780%0.80423%0.227SC*.THydrogen-bonded Turntrans-60.3-21.1-176.3570000114.8
126G77Confident91.3Very high60 Ų6039.7 Ų39.762%0.61924%0.24SC*.THydrogen-bonded Turntrans-80.4-15.7172.900000114.3G100 N124G100-G126 WeakPolarHBondContact CA-O 3.11Å; N124-G126 PolarHBondContact O-N 2.68Å
127S87.6Confident91.3Very high2 Ų241.2 Ų41.21%0.01425%0.25CC..THydrogen-bonded Turntrans-91.8-60.9-177.9167.20000111.7S99 G100 L101 L121 N122 N124S99-S127 WeakPolarHBondContact O-CB 3.26Å; G100-S127 CarbonylContact C-O 3.51Å; G100-S127 VanDerWaalsContact CA-O 3.25Å; G100-S127 WeakPolarHBondContact CA-O 3.46Å; L101-S127 PolarHBondContact N-O 3.01Å; L121-S127 WeakPolarHBondContact CA-OG 3.41Å; N122-S127 PolarHBondContact N-OG 3.28Å; N122-S127 WeakPolarHBondContact O-CB 3.35Å; N122-S127 PolarHBondContact O-OG 3.48Å; N122-S127 WeakPolarHBondContact OD1-CB 3.47Å; N124-S127 WeakPolarHBondContact O-CB 3.27Å; N124-S127 PolarHBondContact O-N 2.65Å
128L90.7Very high91.3Very high14 Ų1439.4 Ų39.47%0.07324%0.239CC..SBendtrans-103.1116.5169.4-61.3-175.9000108.8L101 N124 F132 F133 F148L101-L128 HydrophobicContact CD1-CD2 3.87Å; N124-L128 PolarHBondContact O-N 3.25Å; L128-F132 HydrophobicContact CB-CB 4.41Å; L128-F132 HydrophobicContact CB-CG 4.4Å; L128-F132 HydrophobicContact CD1-CD1 4.27Å; L128-F132 HydrophobicContact CD1-CE1 4.34Å; L128-F132 HydrophobicContact CD2-CD2 4.04Å; L128-F132 HydrophobicContact CD2-CE1 4.47Å; L128-F132 HydrophobicContact CD2-CE2 3.99Å; L128-F132 HydrophobicContact CD2-CG 4.31Å; L128-F132 HydrophobicContact CD2-CZ 4.21Å; L128-F133 HydrophobicContact CD1-CZ 4.1Å; L128-F148 HydrophobicContact CD1-CE1 3.57Å; L128-F148 HydrophobicContact CD1-CZ 3.78Å; L128-F148 HydrophobicContact CD2-CZ 4.29Å; L128-F148 HydrophobicContact CG-CE1 4.02Å; L128-F148 HydrophobicContact CG-CZ 4.02Å
129P88.9Confident91.3Very high10 Ų1042.1 Ų42.17%0.06525%0.249CC..  trans-64.9151179.427.2-35.3000110.4L101 F105 N131 F132L101-P129 HydrophobicContact CB-CG 4.35Å; F105-P129 HydrophobicContact CB-CG 4.01Å; P129-N131 PolarHBondContact O-N 3.42Å; P129-F132 HydrophobicContact CG-CB 4.26Å; P129-F132 WeakPolarHBondContact O-CB 3.27Å; P129-F132 PolarHBondContact O-N 2.95Å
130G82.1Confident91.4Very high67 Ų6742.4 Ų42.469%0.69125%0.251SS*.THydrogen-bonded Turntrans-57.7-24.2-174.800000115.2
131N91.1Very high91.5Very high32 Ų3241.3 Ų41.317%0.17125%0.245CC..THydrogen-bonded Turntrans-87.1-1.117574.1-37.1000114G104 G106 S107 P129 F133 Y134G104-N131 WeakPolarHBondContact CA-ND2 3.48Å; G106-N131 WeakPolarHBondContact CA-ND2 3.47Å; G106-N131 VanDerWaalsContact CA-O 3.28Å; G106-N131 WeakPolarHBondContact CA-O 3.48Å; G106-N131 PolarHBondContact N-ND2 3.48Å; S107-N131 PolarHBondContact OG-ND2 2.86Å; P129-N131 PolarHBondContact O-N 3.42Å; N131-F133 PolarHBondContact O-N 3.06Å; N131-F133 VanDerWaalsContact O-N 3.15Å; N131-Y134 HydrophobicContact CB-CD2 3.94Å; N131-Y134 HydrophobicContact CB-CE2 4.32Å; N131-Y134 HydrophobicContact CB-CG 4.36Å; N131-Y134 VanDerWaalsContact O-CB 3.23Å; N131-Y134 WeakPolarHBondContact O-CB 3.46Å; N131-Y134 PolarHBondContact O-N 3.04Å
132F95.3Very high91.6Very high0 Ų044.5 Ų44.50%026%0.257CS..G310 helixtrans-51.1-41-177.6179.1-93.4000112.5L101 F105 L114 L128 P129 Y134 L135 L141L101-F132 HydrophobicContact CD1-CD2 3.69Å; L101-F132 HydrophobicContact CD1-CE2 3.53Å; F105-F132 HydrophobicContact CD1-CD2 4.01Å; F105-F132 HydrophobicContact CD1-CE2 4.23Å; F105-F132 HydrophobicContact CE1-CD2 4.38Å; F105-F132 HydrophobicContact CE1-CE2 4.14Å; L114-F132 HydrophobicContact CD2-CE2 3.83Å; L114-F132 HydrophobicContact CD2-CZ 4.03Å; L128-F132 HydrophobicContact CB-CB 4.41Å; L128-F132 HydrophobicContact CB-CG 4.4Å; L128-F132 HydrophobicContact CD1-CD1 4.27Å; L128-F132 HydrophobicContact CD1-CE1 4.34Å; L128-F132 HydrophobicContact CD2-CD2 4.04Å; L128-F132 HydrophobicContact CD2-CE1 4.47Å; L128-F132 HydrophobicContact CD2-CE2 3.99Å; L128-F132 HydrophobicContact CD2-CG 4.31Å; L128-F132 HydrophobicContact CD2-CZ 4.21Å; P129-F132 HydrophobicContact CG-CB 4.26Å; P129-F132 WeakPolarHBondContact O-CB 3.27Å; P129-F132 PolarHBondContact O-N 2.95Å; F132-Y134 PolarHBondContact O-N 3.01Å; F132-Y134 VanDerWaalsContact O-N 3.14Å; F132-L135 HydrophobicContact CD2-CD1 4.3Å; F132-L135 HydrophobicContact CE2-CD1 4.28Å; F132-L135 WeakPolarHBondContact O-CD1 3.09Å; F132-L135 VanDerWaalsContact O-CG 3.26Å; F132-L135 WeakPolarHBondContact O-CG 3.28Å; F132-L135 PolarHBondContact O-N 2.96Å; F132-L141 HydrophobicContact CE1-CD2 4.15Å; F132-L141 HydrophobicContact CZ-CD1 4.06Å; F132-L141 HydrophobicContact CZ-CD2 4.28Å
133F94.8Very high91.8Very high9 Ų942.8 Ų42.84%0.03925%0.248CC..G310 helixtrans-77.88.9180-57.9-76.2000114.2L128 N131 L135 P152 D154 I155 K157 L158L128-F133 HydrophobicContact CD1-CZ 4.1Å; N131-F133 PolarHBondContact O-N 3.06Å; N131-F133 VanDerWaalsContact O-N 3.15Å; F133-L135 VanDerWaalsContact C-N 3.33Å; F133-P152 HydrophobicContact CD2-CG 4.39Å; F133-P152 HydrophobicContact CE1-CG 4.23Å; F133-P152 HydrophobicContact CE2-CB 4.34Å; F133-P152 HydrophobicContact CE2-CG 3.32Å; F133-P152 HydrophobicContact CZ-CG 3.22Å; F133-D154 HydrophobicContact CB-CB 3.78Å; F133-D154 WeakPolarHBondContact CB-O 3.4Å; F133-D154 HydrophobicContact CD1-CB 4.29Å; F133-D154 HydrophobicContact CD2-CB 3.46Å; F133-D154 VanDerWaalsContact CD2-CB 3.46Å; F133-D154 HydrophobicContact CE2-CB 4.16Å; F133-D154 HydrophobicContact CG-CB 3.55Å; F133-I155 HydrophobicContact CD1-CD1 4.4Å; F133-I155 HydrophobicContact CE1-CB 4.21Å; F133-I155 HydrophobicContact CE1-CD1 3.93Å; F133-K157 HydrophobicContact CB-CB 4.47Å; F133-K157 HydrophobicContact CB-CD 4.33Å; F133-K157 WeakPolarHBondContact O-CB 3.39Å; F133-L158 HydrophobicContact CD1-CD1 4.27Å; F133-L158 HydrophobicContact CD1-CG 4.32Å
134Y95.6Very high92.4Very high146 Ų14640.2 Ų40.257%0.57324%0.238SC*.G310 helixtrans-89.4-1.8171.2-63.7-0.6000112.4N131 F132 T136N131-Y134 HydrophobicContact CB-CD2 3.94Å; N131-Y134 HydrophobicContact CB-CE2 4.32Å; N131-Y134 HydrophobicContact CB-CG 4.36Å; N131-Y134 VanDerWaalsContact O-CB 3.23Å; N131-Y134 WeakPolarHBondContact O-CB 3.46Å; N131-Y134 PolarHBondContact O-N 3.04Å; F132-Y134 PolarHBondContact O-N 3.01Å; F132-Y134 VanDerWaalsContact O-N 3.14Å; Y134-T136 PolarHBondContact O-N 2.74Å
135L96.7Very high92.9Very high1 Ų137.7 Ų37.71%0.00522%0.224CC..  trans-71.159172.4-63.2170.8000111.9F105 L108 L111 F132 F133 T137 L138 L158F105-L135 HydrophobicContact CD1-CD1 4.17Å; F105-L135 HydrophobicContact CE1-CD1 4.16Å; L108-L135 HydrophobicContact CB-CD2 3.83Å; L111-L135 HydrophobicContact CD2-CD1 4.26Å; L111-L135 HydrophobicContact CD2-CD2 4.48Å; F132-L135 HydrophobicContact CD2-CD1 4.3Å; F132-L135 HydrophobicContact CE2-CD1 4.28Å; F132-L135 WeakPolarHBondContact O-CD1 3.09Å; F132-L135 VanDerWaalsContact O-CG 3.26Å; F132-L135 WeakPolarHBondContact O-CG 3.28Å; F132-L135 PolarHBondContact O-N 2.96Å; F133-L135 VanDerWaalsContact C-N 3.33Å; L135-T137 PolarHBondContact O-N 3.05Å; L135-L138 HydrophobicContact CB-CD1 3.6Å; L135-L138 HydrophobicContact CB-CG 3.81Å; L135-L138 HydrophobicContact CD1-CD1 3.79Å; L135-L138 HydrophobicContact CD1-CG 4.46Å; L135-L138 HydrophobicContact CG-CD1 4.34Å; L135-L138 WeakPolarHBondContact O-CB 3.41Å; L135-L138 PolarHBondContact O-N 2.96Å; L135-L158 HydrophobicContact CB-CD2 4.4Å; L135-L158 WeakPolarHBondContact O-CD2 3.37Å
136T94.2Very high94.1Very high72 Ų7232.2 Ų32.244%0.44219%0.186SC..THydrogen-bonded Turntrans-66-5.9-175.656.30000113.8Y134 K160Y134-T136 PolarHBondContact O-N 2.74Å; T136-K160 VanDerWaalsContact O-CD 3.24Å; T136-K160 WeakPolarHBondContact O-CD 3.21Å; T136-K160 WeakPolarHBondContact O-CG 3.25Å
137T97.8Very high94.9Very high32 Ų3230.4 Ų30.420%0.19616%0.162CC..THydrogen-bonded Turntrans-86.3-13.317150.40000114.1P109 L111 L135 R139P109-T137 WeakPolarHBondContact O-CG2 3.26Å; L111-T137 PolarHBondContact N-OG1 3.07Å; L111-T137 CarbonylContact O-C 3.21Å; L111-T137 VanDerWaalsContact O-CB 3.32Å; L111-T137 WeakPolarHBondContact O-CB 3.49Å; L111-T137 PolarHBondContact O-OG1 2.83Å; L135-T137 PolarHBondContact O-N 3.05Å; T137-R139 PolarHBondContact O-N 2.97Å
138L98.5Very high95.4Very high0 Ų030.3 Ų30.30%016%0.162CC..  trans-61.3132.5-177.8-82.5174.7000112L111 L114 L135 L158 K160 L161L111-L138 HydrophobicContact CD2-CD2 4.07Å; L111-L138 HydrophobicContact CG-CD2 4.05Å; L111-L138 PolarHBondContact O-N 2.67Å; L114-L138 HydrophobicContact CB-CD2 3.84Å; L135-L138 HydrophobicContact CB-CD1 3.6Å; L135-L138 HydrophobicContact CB-CG 3.81Å; L135-L138 HydrophobicContact CD1-CD1 3.79Å; L135-L138 HydrophobicContact CD1-CG 4.46Å; L135-L138 HydrophobicContact CG-CD1 4.34Å; L135-L138 WeakPolarHBondContact O-CB 3.41Å; L135-L138 PolarHBondContact O-N 2.96Å; L138-L158 HydrophobicContact CD1-CD1 4.23Å; L138-K160 CarbonylContact O-C 3.23Å; L138-K160 VanDerWaalsContact O-C 3.23Å; L138-L161 HydrophobicContact CB-CD1 4.11Å; L138-L161 WeakPolarHBondContact O-CA 3.46Å; L138-L161 PolarHBondContact O-N 3.22Å
139R98.8Very high95.6Very high103 Ų10332.4 Ų32.439%0.38917%0.171SC..SBendtrans-116.1-29.9177.1-62.6179.363.7-153.7-5.8111.8E112 T137 Q162 I163E112-R139 WeakPolarHBondContact O-CA 3.44Å; E112-R139 PolarHBondContact O-N 2.93Å; E112-R139 WeakPolarHBondContact OE2-CD 3.45Å; E112-R139 IonicContact OE2-NH1 2.74Å; E112-R139 PolarHBondContact OE2-NH1 2.93Å; T137-R139 PolarHBondContact O-N 2.97Å; R139-Q162 WeakPolarHBondContact O-CA 3.14Å; R139-Q162 WeakPolarHBondContact O-CB 3.5Å; R139-Q162 PolarHBondContact O-N 3Å; R139-I163 PolarHBondContact O-N 3.19Å
140A98.9Very high95.9Very high6 Ų635.9 Ų35.95%0.0519%0.189CC..EExtended strand (participates in β ladder)trans-136.5126.7174.600000110.9E112 V113 L114 Y142 I163E112-A140 PolarHBondContact O-N 2.81Å; V113-A140 WeakPolarHBondContact CA-O 3.3Å; V113-A140 HydrophobicContact CG1-CB 4.19Å; V113-A140 HydrophobicContact CG2-CB 4.21Å; L114-A140 PolarHBondContact N-O 3.15Å; A140-Y142 HydrophobicContact CB-CE2 3.8Å; A140-I163 WeakPolarHBondContact CA-O 3.45Å; A140-I163 HydrophobicContact CB-CB 3.96Å; A140-I163 HydrophobicContact CB-CD1 4.36Å; A140-I163 HydrophobicContact CB-CG1 4.48Å
141L98.8Very high96.4Very high0 Ų033 Ų330%016%0.158CC..EExtended strand (participates in β ladder)trans-127.8115.4178.1177.658.4000109.7L114 F132 L143 I155 L158 L161 I163 L164 S165L114-L141 HydrophobicContact CB-CD1 4.18Å; L114-L141 HydrophobicContact CD2-CD1 4Å; L114-L141 HydrophobicContact CG-CD1 4.15Å; F132-L141 HydrophobicContact CE1-CD2 4.15Å; F132-L141 HydrophobicContact CZ-CD1 4.06Å; F132-L141 HydrophobicContact CZ-CD2 4.28Å; L141-L143 HydrophobicContact CD1-CD1 4.33Å; L141-L143 HydrophobicContact CD1-CD2 4.33Å; L141-L143 HydrophobicContact CD1-CG 4.01Å; L141-L143 HydrophobicContact CD2-CD1 3.9Å; L141-L143 HydrophobicContact CD2-CG 4.44Å; L141-L143 HydrophobicContact CG-CD1 4.03Å; L141-L143 HydrophobicContact CG-CG 4.02Å; L141-I155 HydrophobicContact CD2-CD1 4.37Å; L141-L158 HydrophobicContact CD2-CD1 4.04Å; L141-L161 HydrophobicContact CB-CD1 3.79Å; L141-L161 HydrophobicContact CB-CD2 4.39Å; L141-I163 PolarHBondContact N-O 2.77Å; L141-L164 HydrophobicContact CB-CD1 4.25Å; L141-L164 HydrophobicContact CD2-CD1 4.12Å; L141-L164 HydrophobicContact CG-CD1 4.21Å; L141-L164 WeakPolarHBondContact O-CA 3.43Å; L141-S165 PolarHBondContact O-N 2.64Å
142Y98.9Very high96.6Very high67 Ų6733.4 Ų33.426%0.26316%0.162SC..EExtended strand (participates in β ladder)trans-109.5115.1176.7-52.7-90.3000109.8V113 L114 D115 L116 T117 A140 I163V113-Y142 HydrophobicContact CG1-CE2 4.28Å; L114-Y142 PolarHBondContact O-N 2.9Å; D115-Y142 HydrophobicContact CB-CD2 4.1Å; D115-Y142 WeakPolarHBondContact OD1-CB 3.03Å; L116-Y142 CarbonylContact C-O 3.45Å; L116-Y142 WeakPolarHBondContact CA-O 3.32Å; L116-Y142 PolarHBondContact N-O 2.67Å; T117-Y142 PolarHBondContact N-O 3.34Å; T117-Y142 WeakPolarHBondContact OG1-CB 3.36Å; A140-Y142 HydrophobicContact CB-CE2 3.8Å; Y142-I163 HydrophobicContact CE1-CG2 3.79Å
143L98.3Very high96.6Very high1 Ų136.9 Ų36.91%0.00518%0.184CC..  trans-122.717.7178.8-69.5170.1000111.2L116 L121 L141 N146 F148 S165 L166 N169L116-L143 HydrophobicContact CB-CD2 4.02Å; L116-L143 HydrophobicContact CD1-CD2 3.91Å; L121-L143 HydrophobicContact CD1-CD2 4.37Å; L141-L143 HydrophobicContact CD1-CD1 4.33Å; L141-L143 HydrophobicContact CD1-CD2 4.33Å; L141-L143 HydrophobicContact CD1-CG 4.01Å; L141-L143 HydrophobicContact CD2-CD1 3.9Å; L141-L143 HydrophobicContact CD2-CG 4.44Å; L141-L143 HydrophobicContact CG-CD1 4.03Å; L141-L143 HydrophobicContact CG-CG 4.02Å; L143-N146 PolarHBondContact O-ND2 3.27Å; L143-F148 HydrophobicContact CB-CE2 4.26Å; L143-F148 HydrophobicContact CD1-CE2 4.36Å; L143-F148 HydrophobicContact CD1-CZ 4.45Å; L143-F148 HydrophobicContact CD2-CE2 3.96Å; L143-F148 HydrophobicContact CD2-CZ 4.19Å; L143-F148 HydrophobicContact CG-CE2 4.44Å; L143-S165 CarbonylContact C-O 3.43Å; L143-S165 WeakPolarHBondContact CA-O 3.47Å; L143-S165 PolarHBondContact N-O 2.88Å; L143-L166 HydrophobicContact CB-CD2 4.09Å; L143-L166 HydrophobicContact CD1-CD2 4.05Å; L143-N169 PolarHBondContact O-ND2 3.14Å
144S98.2Very high96.6Very high14 Ų1439.4 Ų39.410%0.09820%0.198CC..  trans-60.4150.4-177.1-40.60000111.7T117 Y118 N146 S165 R167T117-S144 CarbonylContact C-O 3.6Å; T117-S144 VanDerWaalsContact CA-O 3.26Å; T117-S144 WeakPolarHBondContact CA-O 3.46Å; Y118-S144 PolarHBondContact N-O 2.92Å; S144-N146 PolarHBondContact O-N 2.97Å; S144-N146 PolarHBondContact O-ND2 2.77Å; S144-S165 PolarHBondContact N-O 2.67Å; S144-S165 WeakPolarHBondContact OG-CB 3.5Å; S144-S165 PolarHBondContact OG-OG 2.66Å; S144-R167 CarbonylContact C-O 3.58Å; S144-R167 WeakPolarHBondContact CA-O 3.33Å; S144-R167 WeakPolarHBondContact CB-O 3.25Å
145D96.9Very high96.6Very high40 Ų4032.4 Ų32.421%0.21417%0.171CC..SBendtrans54.256.1177-154.5-44.7000111.8Y118 N119 R167 D168 K268Y118-D145 VanDerWaalsContact CA-O 3.24Å; Y118-D145 WeakPolarHBondContact CA-O 3.24Å; Y118-D145 HydrophobicContact CD2-CB 4.1Å; Y118-D145 WeakPolarHBondContact CD2-OD2 3.33Å; Y118-D145 PolarHBondContact N-O 3.46Å; N119-D145 PolarHBondContact N-O 3.3Å; D145-R167 PolarHBondContact N-O 3.32Å; D145-D168 WeakPolarHBondContact CA-O 3.27Å; D145-K268 PolarHBondContact O-NZ 3.04Å; D145-K268 VanDerWaalsContact OD1-CE 3.22Å; D145-K268 WeakPolarHBondContact OD1-CE 3.28Å; D145-K268 IonicContact OD1-NZ 2.68Å; D145-K268 PolarHBondContact OD1-NZ 3.31Å
146N96.7Very high96.6Very high0 Ų032.8 Ų32.80%017%0.174CC..SBendtrans-125.7-163.3171.4-82.8-75.5000108.7L116 N119 N120 L121 L143 S144 F148 N169 K265L116-N146 PolarHBondContact O-ND2 3.48Å; N119-N146 WeakPolarHBondContact CA-OD1 3.1Å; N119-N146 VanDerWaalsContact CB-OD1 3.24Å; N119-N146 WeakPolarHBondContact CB-OD1 3.28Å; N119-N146 PolarHBondContact N-OD1 3.02Å; N119-N146 PolarHBondContact O-OD1 2.98Å; N120-N146 PolarHBondContact N-OD1 3.37Å; L121-N146 HydrophobicContact CB-CB 4.39Å; L121-N146 WeakPolarHBondContact CB-OD1 3.28Å; L121-N146 PolarHBondContact N-OD1 2.8Å; L121-N146 WeakPolarHBondContact O-CB 3.44Å; L143-N146 PolarHBondContact O-ND2 3.27Å; S144-N146 PolarHBondContact O-N 2.97Å; S144-N146 PolarHBondContact O-ND2 2.77Å; N146-F148 HydrophobicContact CB-CD2 3.7Å; N146-F148 HydrophobicContact CB-CE2 3.77Å; N146-N169 VanDerWaalsContact CA-OD1 3.28Å; N146-N169 WeakPolarHBondContact CA-OD1 3.42Å; N146-N169 VanDerWaalsContact CB-OD1 3.24Å; N146-N169 WeakPolarHBondContact CB-OD1 3.47Å; N146-N169 PolarHBondContact N-OD1 2.97Å; N146-N169 PolarHBondContact O-OD1 3.18Å; N146-N169 VanDerWaalsContact O-OD1 3.11Å; N146-K265 VanDerWaalsContact O-CE 3.27Å; N146-K265 WeakPolarHBondContact O-CE 3.45Å; N146-K265 PolarHBondContact O-NZ 3.21Å
147D95.3Very high96.7Very high23 Ų2333.6 Ų33.612%0.12317%0.172CC..  trans-117.129.7-174.2-63.2-63.1000112.7L121 N122 E149 N169 K265 R271L121-D147 WeakPolarHBondContact O-CA 3.38Å; L121-D147 WeakPolarHBondContact O-CB 3.24Å; L121-D147 PolarHBondContact O-N 3.49Å; N122-D147 HydrophobicContact CB-CB 4.13Å; D147-E149 PolarHBondContact O-N 2.96Å; D147-N169 PolarHBondContact N-OD1 3Å; D147-K265 WeakPolarHBondContact OD1-CD 3.18Å; D147-R271 IonicContact OD1-CZ 2.66Å; D147-R271 IonicContact OD1-NH2 3.93Å; D147-R271 PolarHBondContact OD1-NH2 3.21Å; D147-R271 IonicContact OD2-CZ 3.34Å; D147-R271 IonicContact OD2-NH2 2.97Å; D147-R271 PolarHBondContact OD2-NH2 3.29Å
148F96.1Very high96.7Very high0 Ų032.1 Ų32.10%016%0.163CC..  trans-71.8119178.2-68.9-83.3000110.9L121 N122 Q123 L128 L143 N146 N169 D170 L171L121-F148 HydrophobicContact CB-CE2 3.87Å; L121-F148 HydrophobicContact CB-CZ 3.9Å; N122-F148 WeakPolarHBondContact O-CE1 3.5Å; Q123-F148 HydrophobicContact CB-CD1 4.36Å; L128-F148 HydrophobicContact CD1-CE1 3.57Å; L128-F148 HydrophobicContact CD1-CZ 3.78Å; L128-F148 HydrophobicContact CD2-CZ 4.29Å; L128-F148 HydrophobicContact CG-CE1 4.02Å; L128-F148 HydrophobicContact CG-CZ 4.02Å; L143-F148 HydrophobicContact CB-CE2 4.26Å; L143-F148 HydrophobicContact CD1-CE2 4.36Å; L143-F148 HydrophobicContact CD1-CZ 4.45Å; L143-F148 HydrophobicContact CD2-CE2 3.96Å; L143-F148 HydrophobicContact CD2-CZ 4.19Å; L143-F148 HydrophobicContact CG-CE2 4.44Å; N146-F148 HydrophobicContact CB-CD2 3.7Å; N146-F148 HydrophobicContact CB-CE2 3.77Å; F148-N169 HydrophobicContact CB-CB 4.34Å; F148-N169 WeakPolarHBondContact CD2-OD1 3.42Å; F148-N169 PolarHBondContact N-OD1 2.68Å; F148-D170 CarbonylContact O-C 3.54Å; F148-D170 WeakPolarHBondContact O-CA 3.42Å; F148-D170 PolarHBondContact O-N 2.95Å; F148-L171 HydrophobicContact CB-CD2 3.88Å; F148-L171 PolarHBondContact O-N 3.23Å; F148-L171 VanDerWaalsContact O-N 3.09Å
149E95.3Very high96.6Very high57 Ų5735.7 Ų35.727%0.26619%0.185SC..SBendtrans-93.2-28.6167.4-67.9-163.4-13300112.3D147 D170 L171 V172 R193 K261D147-E149 PolarHBondContact O-N 2.96Å; E149-D170 WeakPolarHBondContact CA-O 3.46Å; E149-D170 HydrophobicContact CG-CB 3.83Å; E149-L171 WeakPolarHBondContact O-CA 3.42Å; E149-V172 PolarHBondContact O-N 3.22Å; E149-R193 IonicContact OE2-NH1 3.63Å; E149-R193 PolarHBondContact OE2-NH1 3Å; E149-K261 WeakPolarHBondContact OE1-CE 3.18Å; E149-K261 IonicContact OE1-NZ 2.79Å; E149-K261 PolarHBondContact OE1-NZ 2.87Å
150L94.9Very high96.6Very high83 Ų8335.5 Ų35.544%0.43519%0.187SC..  trans-134.7147176.3-64.1172.7000109.2Q123 V172Q123-L150 WeakPolarHBondContact CB-O 3.48Å; L150-V172 HydrophobicContact CD2-CG2 3.61Å
151L94.6Very high96.6Very high8 Ų835.2 Ų35.24%0.04218%0.184CC..  trans-105.9128.2167.3-170.271.4000108.1I155 L166 L171 P175L151-I155 HydrophobicContact CD2-CB 3.97Å; L151-I155 HydrophobicContact CD2-CD1 4.23Å; L151-I155 HydrophobicContact CD2-CG1 3.81Å; L151-I155 HydrophobicContact CD2-CG2 3.97Å; L151-I155 HydrophobicContact CG-CB 4.18Å; L151-I155 HydrophobicContact CG-CG1 4.44Å; L151-I155 HydrophobicContact CG-CG2 4.35Å; L151-L166 HydrophobicContact CD1-CD2 4.25Å; L151-L166 HydrophobicContact CD2-CD1 3.91Å; L151-L171 HydrophobicContact CB-CD2 4.38Å; L151-P175 HydrophobicContact CB-CG 4.32Å; L151-P175 HydrophobicContact CD2-CG 4.42Å
152P93.5Very high96.6Very high39 Ų3937.1 Ų37.125%0.25319%0.193SC..  trans-67.7149-176.828.5-35.2000111.2F133 D154 I155F133-P152 HydrophobicContact CD2-CG 4.39Å; F133-P152 HydrophobicContact CE1-CG 4.23Å; F133-P152 HydrophobicContact CE2-CB 4.34Å; F133-P152 HydrophobicContact CE2-CG 3.32Å; F133-P152 HydrophobicContact CZ-CG 3.22Å; P152-D154 PolarHBondContact O-N 3.13Å; P152-I155 WeakPolarHBondContact O-CG2 3.45Å; P152-I155 PolarHBondContact O-N 3.19Å; P152-I155 VanDerWaalsContact O-N 3.09Å
153P95.1Very high96.6Very high73 Ų7335.4 Ų35.447%0.47419%0.188SC..G310 helixtrans-52.3-29176.1-31.138000114.4I155 G156 E177P153-I155 PolarHBondContact O-N 2.91Å; P153-G156 PolarHBondContact O-N 3.41Å; P153-G156 VanDerWaalsContact O-N 3.13Å; P153-E177 HydrophobicContact CB-CG 4.06Å; P153-E177 WeakPolarHBondContact O-CB 3.44Å; P153-E177 WeakPolarHBondContact O-CG 3.5Å
154D95.4Very high96.6Very high62 Ų6235.4 Ų35.433%0.33219%0.188SC..G310 helixtrans-58.9-13178.5-74.7-36.1000114.3F133 P152 G156 K157F133-D154 HydrophobicContact CB-CB 3.78Å; F133-D154 WeakPolarHBondContact CB-O 3.4Å; F133-D154 HydrophobicContact CD1-CB 4.29Å; F133-D154 HydrophobicContact CD2-CB 3.46Å; F133-D154 VanDerWaalsContact CD2-CB 3.46Å; F133-D154 HydrophobicContact CE2-CB 4.16Å; F133-D154 HydrophobicContact CG-CB 3.55Å; P152-D154 PolarHBondContact O-N 3.13Å; D154-G156 PolarHBondContact O-N 3.36Å; D154-G156 VanDerWaalsContact O-N 3.16Å; D154-K157 HydrophobicContact CB-CD 4.23Å; D154-K157 VanDerWaalsContact O-CB 3.27Å; D154-K157 WeakPolarHBondContact O-CB 3.17Å; D154-K157 WeakPolarHBondContact O-CG 3.35Å; D154-K157 PolarHBondContact O-N 3.26Å; D154-K157 WeakPolarHBondContact OD1-CE 3.37Å; D154-K157 IonicContact OD1-NZ 3.79Å; D154-K157 PolarHBondContact OD1-NZ 3.2Å; D154-K157 IonicContact OD2-NZ 2.68Å
155I96.1Very high96.6Very high0 Ų035.1 Ų35.10%019%0.187CC..G310 helixtrans-51.7-35.4170.6-169.570.3000112.3F133 L141 L151 P152 P153 K157 L158 L164 P175 L181F133-I155 HydrophobicContact CD1-CD1 4.4Å; F133-I155 HydrophobicContact CE1-CB 4.21Å; F133-I155 HydrophobicContact CE1-CD1 3.93Å; L141-I155 HydrophobicContact CD2-CD1 4.37Å; L151-I155 HydrophobicContact CD2-CB 3.97Å; L151-I155 HydrophobicContact CD2-CD1 4.23Å; L151-I155 HydrophobicContact CD2-CG1 3.81Å; L151-I155 HydrophobicContact CD2-CG2 3.97Å; L151-I155 HydrophobicContact CG-CB 4.18Å; L151-I155 HydrophobicContact CG-CG1 4.44Å; L151-I155 HydrophobicContact CG-CG2 4.35Å; P152-I155 WeakPolarHBondContact O-CG2 3.45Å; P152-I155 PolarHBondContact O-N 3.19Å; P152-I155 VanDerWaalsContact O-N 3.09Å; P153-I155 PolarHBondContact O-N 2.91Å; I155-K157 PolarHBondContact O-N 2.86Å; I155-L158 HydrophobicContact CD1-CD1 3.85Å; I155-L158 WeakPolarHBondContact O-CB 3.41Å; I155-L158 PolarHBondContact O-N 2.98Å; I155-L164 HydrophobicContact CD1-CD2 4.42Å; I155-L164 HydrophobicContact CG1-CD2 4.34Å; I155-P175 HydrophobicContact CG2-CG 3.71Å; I155-L181 HydrophobicContact CG1-CD1 4.33Å; I155-L181 WeakPolarHBondContact O-CD2 3.22Å
156G96.6Very high96.7Very high8 Ų833.2 Ų33.28%0.08218%0.176CC..G310 helixtrans-60.9-16.8178.800000114.1P153 D154 L158 T159 E177P153-G156 PolarHBondContact O-N 3.41Å; P153-G156 VanDerWaalsContact O-N 3.13Å; D154-G156 PolarHBondContact O-N 3.36Å; D154-G156 VanDerWaalsContact O-N 3.16Å; G156-L158 VanDerWaalsContact C-N 3.26Å; G156-L158 PolarHBondContact O-N 3.41Å; G156-T159 WeakPolarHBondContact O-CG2 3.44Å; G156-E177 WeakPolarHBondContact CA-O 3.44Å
157K97Very high96.7Very high90 Ų9039.2 Ų39.239%0.39120%0.199SC..G310 helixtrans-70.5-20.2174.7-65.4173172.7163.40113.1F133 D154 I155 T159F133-K157 HydrophobicContact CB-CB 4.47Å; F133-K157 HydrophobicContact CB-CD 4.33Å; F133-K157 WeakPolarHBondContact O-CB 3.39Å; D154-K157 HydrophobicContact CB-CD 4.23Å; D154-K157 VanDerWaalsContact O-CB 3.27Å; D154-K157 WeakPolarHBondContact O-CB 3.17Å; D154-K157 WeakPolarHBondContact O-CG 3.35Å; D154-K157 PolarHBondContact O-N 3.26Å; D154-K157 WeakPolarHBondContact OD1-CE 3.37Å; D154-K157 IonicContact OD1-NZ 3.79Å; D154-K157 PolarHBondContact OD1-NZ 3.2Å; D154-K157 IonicContact OD2-NZ 2.68Å; I155-K157 PolarHBondContact O-N 2.86Å; K157-T159 PolarHBondContact O-N 3.11Å
158L97.4Very high96.8Very high1 Ų140.4 Ų40.41%0.00521%0.205CC..  trans-8156179.9-56-173.6000111.4F133 L135 L138 L141 I155 G156 K160 L161 L181F133-L158 HydrophobicContact CD1-CD1 4.27Å; F133-L158 HydrophobicContact CD1-CG 4.32Å; L135-L158 HydrophobicContact CB-CD2 4.4Å; L135-L158 WeakPolarHBondContact O-CD2 3.37Å; L138-L158 HydrophobicContact CD1-CD1 4.23Å; L141-L158 HydrophobicContact CD2-CD1 4.04Å; I155-L158 HydrophobicContact CD1-CD1 3.85Å; I155-L158 WeakPolarHBondContact O-CB 3.41Å; I155-L158 PolarHBondContact O-N 2.98Å; G156-L158 VanDerWaalsContact C-N 3.26Å; G156-L158 PolarHBondContact O-N 3.41Å; L158-K160 PolarHBondContact O-N 2.9Å; L158-L161 HydrophobicContact CB-CB 4.2Å; L158-L161 WeakPolarHBondContact O-CB 3.16Å; L158-L161 PolarHBondContact O-N 3.13Å; L158-L181 HydrophobicContact CB-CD2 4.38Å; L158-L181 WeakPolarHBondContact O-CD2 3.39Å
159T96.4Very high96.8Very high75 Ų7540.5 Ų40.546%0.4621%0.206SC..THydrogen-bonded Turntrans-65.1-14.6-168.956.40000115.3G156 K157 Q183G156-T159 WeakPolarHBondContact O-CG2 3.44Å; K157-T159 PolarHBondContact O-N 3.11Å; T159-Q183 WeakPolarHBondContact O-CG 3.28Å
160K98.3Very high96.9Very high99 Ų9938 Ų3843%0.4319%0.194SC..THydrogen-bonded Turntrans-89.2-1.2173.4-63.2-169.8-169.4169.10113.9T136 L138 L158 Q162T136-K160 VanDerWaalsContact O-CD 3.24Å; T136-K160 WeakPolarHBondContact O-CD 3.21Å; T136-K160 WeakPolarHBondContact O-CG 3.25Å; L138-K160 CarbonylContact O-C 3.23Å; L138-K160 VanDerWaalsContact O-C 3.23Å; L158-K160 PolarHBondContact O-N 2.9Å; K160-Q162 PolarHBondContact O-N 3.16Å
161L98.5Very high97Very high0 Ų034 Ų340%017%0.173CC..  trans-66.8127.9-175.9-159.272.1000110.2L138 L141 L158 L164 L181 Q183 L184L138-L161 HydrophobicContact CB-CD1 4.11Å; L138-L161 WeakPolarHBondContact O-CA 3.46Å; L138-L161 PolarHBondContact O-N 3.22Å; L141-L161 HydrophobicContact CB-CD1 3.79Å; L141-L161 HydrophobicContact CB-CD2 4.39Å; L158-L161 HydrophobicContact CB-CB 4.2Å; L158-L161 WeakPolarHBondContact O-CB 3.16Å; L158-L161 PolarHBondContact O-N 3.13Å; L161-L164 HydrophobicContact CD2-CB 3.79Å; L161-L164 HydrophobicContact CD2-CD1 4.1Å; L161-L164 HydrophobicContact CD2-CD2 4.28Å; L161-L164 HydrophobicContact CD2-CG 4.27Å; L161-L181 HydrophobicContact CB-CD2 4.48Å; L161-L181 HydrophobicContact CD2-CD1 4.26Å; L161-Q183 CarbonylContact O-C 3.2Å; L161-L184 HydrophobicContact CD2-CD1 4.32Å; L161-L184 HydrophobicContact CG-CD1 4.28Å; L161-L184 WeakPolarHBondContact O-CA 3.49Å; L161-L184 PolarHBondContact O-N 3.4Å; L161-L184 VanDerWaalsContact O-N 3.15Å
162Q98.6Very high97.1Very high40 Ų4035 Ų3519%0.18718%0.18CC..  trans-109.5-31.4180-59.8-178.1-10.100111R139 K160 Q183 K185 E186R139-Q162 WeakPolarHBondContact O-CA 3.14Å; R139-Q162 WeakPolarHBondContact O-CB 3.5Å; R139-Q162 PolarHBondContact O-N 3Å; K160-Q162 PolarHBondContact O-N 3.16Å; Q162-Q183 HydrophobicContact CG-CB 4.49Å; Q162-K185 PolarHBondContact O-N 3.19Å; Q162-E186 PolarHBondContact O-N 2.96Å
163I98.8Very high97.2Very high31 Ų3135 Ų3516%0.15918%0.181CC..EExtended strand (participates in β ladder)trans-128.5124.7179.5-54.4177.7000108.8R139 A140 L141 Y142 E186R139-I163 PolarHBondContact O-N 3.19Å; A140-I163 WeakPolarHBondContact CA-O 3.45Å; A140-I163 HydrophobicContact CB-CB 3.96Å; A140-I163 HydrophobicContact CB-CD1 4.36Å; A140-I163 HydrophobicContact CB-CG1 4.48Å; L141-I163 PolarHBondContact N-O 2.77Å; Y142-I163 HydrophobicContact CE1-CG2 3.79Å; I163-E186 WeakPolarHBondContact CA-O 3.25Å; I163-E186 HydrophobicContact CB-CB 4.36Å; I163-E186 HydrophobicContact CG1-CB 4.1Å; I163-E186 HydrophobicContact CG1-CG 4.23Å; I163-E186 HydrophobicContact CG2-CB 4.11Å
164L98.8Very high97.4Very high0 Ų031.8 Ų31.80%016%0.159CC..EExtended strand (participates in β ladder)trans-128115.6171-179.956000109.6L141 I155 L161 L166 I178 L181 L184 E186 L187 H188L141-L164 HydrophobicContact CB-CD1 4.25Å; L141-L164 HydrophobicContact CD2-CD1 4.12Å; L141-L164 HydrophobicContact CG-CD1 4.21Å; L141-L164 WeakPolarHBondContact O-CA 3.43Å; I155-L164 HydrophobicContact CD1-CD2 4.42Å; I155-L164 HydrophobicContact CG1-CD2 4.34Å; L161-L164 HydrophobicContact CD2-CB 3.79Å; L161-L164 HydrophobicContact CD2-CD1 4.1Å; L161-L164 HydrophobicContact CD2-CD2 4.28Å; L161-L164 HydrophobicContact CD2-CG 4.27Å; L164-L166 HydrophobicContact CD1-CD1 4.37Å; L164-L166 HydrophobicContact CD1-CD2 4.28Å; L164-L166 HydrophobicContact CD1-CG 4.07Å; L164-L166 HydrophobicContact CD2-CD1 3.95Å; L164-L166 HydrophobicContact CG-CD1 4.01Å; L164-L166 HydrophobicContact CG-CG 4.05Å; L164-I178 HydrophobicContact CD2-CD1 3.69Å; L164-L181 HydrophobicContact CD2-CD1 4.15Å; L164-L184 HydrophobicContact CB-CD1 3.84Å; L164-E186 PolarHBondContact N-O 2.84Å; L164-L187 HydrophobicContact CB-CD1 4.16Å; L164-L187 HydrophobicContact CD2-CD1 4.11Å; L164-L187 HydrophobicContact CG-CD1 4.17Å; L164-L187 WeakPolarHBondContact O-CA 3.41Å; L164-H188 PolarHBondContact O-N 2.96Å
165S98.8Very high97.5Very high9 Ų929.6 Ų29.66%0.06315%0.149CC..EExtended strand (participates in β ladder)trans-113.2117.7175.2-168.20000111.8L141 L143 S144L141-S165 PolarHBondContact O-N 2.64Å; L143-S165 CarbonylContact C-O 3.43Å; L143-S165 WeakPolarHBondContact CA-O 3.47Å; L143-S165 PolarHBondContact N-O 2.88Å; S144-S165 PolarHBondContact N-O 2.67Å; S144-S165 WeakPolarHBondContact OG-CB 3.5Å; S144-S165 PolarHBondContact OG-OG 2.66Å
166L98.4Very high97.6Very high0 Ų036.8 Ų36.80%018%0.176CC..  trans-122.714.7-180-64.3165000111.5L143 L151 L164 N169 L171 L174 H188 I189 N192L143-L166 HydrophobicContact CB-CD2 4.09Å; L143-L166 HydrophobicContact CD1-CD2 4.05Å; L151-L166 HydrophobicContact CD1-CD2 4.25Å; L151-L166 HydrophobicContact CD2-CD1 3.91Å; L164-L166 HydrophobicContact CD1-CD1 4.37Å; L164-L166 HydrophobicContact CD1-CD2 4.28Å; L164-L166 HydrophobicContact CD1-CG 4.07Å; L164-L166 HydrophobicContact CD2-CD1 3.95Å; L164-L166 HydrophobicContact CG-CD1 4.01Å; L164-L166 HydrophobicContact CG-CG 4.05Å; L166-N169 PolarHBondContact O-ND2 2.92Å; L166-L171 HydrophobicContact CB-CD1 3.81Å; L166-L171 HydrophobicContact CD1-CD1 3.96Å; L166-L171 HydrophobicContact CD2-CD1 4.42Å; L166-L171 HydrophobicContact CG-CD1 4.29Å; L166-L174 HydrophobicContact CD1-CD2 4.33Å; L166-H188 CarbonylContact C-O 3.33Å; L166-H188 WeakPolarHBondContact CA-O 3.36Å; L166-H188 PolarHBondContact N-O 2.8Å; L166-I189 HydrophobicContact CB-CG2 4.36Å; L166-I189 HydrophobicContact CD1-CG2 4.29Å; L166-N192 PolarHBondContact O-ND2 3.37Å
167R97.6Very high97.6Very high125 Ų12538.1 Ų38.147%0.47218%0.18SC..THydrogen-bonded Turntrans-53.9145.4-178.7170.7177.5170-168.3-3.1112.2S144 D145 N169 H188 Q190S144-R167 CarbonylContact C-O 3.58Å; S144-R167 WeakPolarHBondContact CA-O 3.33Å; S144-R167 WeakPolarHBondContact CB-O 3.25Å; D145-R167 PolarHBondContact N-O 3.32Å; R167-N169 VanDerWaalsContact C-N 3.28Å; R167-N169 PolarHBondContact O-N 2.77Å; R167-N169 PolarHBondContact O-ND2 2.86Å; R167-H188 PolarHBondContact N-O 3.42Å; R167-Q190 CarbonylContact C-O 3.3Å; R167-Q190 VanDerWaalsContact CA-O 3.26Å; R167-Q190 WeakPolarHBondContact CA-O 3.26Å; R167-Q190 HydrophobicContact CG-CB 4.36Å
168D96.7Very high97.7Very high49 Ų4933.8 Ų33.826%0.26216%0.161SC..THydrogen-bonded Turntrans56.738.4172.9-61.7-38.2000113.2D145 Q190 G191 K265D145-D168 WeakPolarHBondContact CA-O 3.27Å; D168-Q190 PolarHBondContact N-O 2.69Å; D168-G191 WeakPolarHBondContact CA-O 3.42Å; D168-K265 PolarHBondContact O-NZ 2.83Å
169N96.8Very high97.7Very high1 Ų134.1 Ų34.11%0.00516%0.164CC..SBendtrans-96.4-158.8168.7-84.1-77.8000110.4L143 N146 D147 F148 L166 R167 L171 N192 K265L143-N169 PolarHBondContact O-ND2 3.14Å; N146-N169 VanDerWaalsContact CA-OD1 3.28Å; N146-N169 WeakPolarHBondContact CA-OD1 3.42Å; N146-N169 VanDerWaalsContact CB-OD1 3.24Å; N146-N169 WeakPolarHBondContact CB-OD1 3.47Å; N146-N169 PolarHBondContact N-OD1 2.97Å; N146-N169 PolarHBondContact O-OD1 3.18Å; N146-N169 VanDerWaalsContact O-OD1 3.11Å; D147-N169 PolarHBondContact N-OD1 3Å; F148-N169 HydrophobicContact CB-CB 4.34Å; F148-N169 WeakPolarHBondContact CD2-OD1 3.42Å; F148-N169 PolarHBondContact N-OD1 2.68Å; L166-N169 PolarHBondContact O-ND2 2.92Å; R167-N169 VanDerWaalsContact C-N 3.28Å; R167-N169 PolarHBondContact O-N 2.77Å; R167-N169 PolarHBondContact O-ND2 2.86Å; N169-L171 HydrophobicContact CB-CG 4.14Å; N169-N192 VanDerWaalsContact CA-OD1 3.28Å; N169-N192 WeakPolarHBondContact CA-OD1 3.11Å; N169-N192 WeakPolarHBondContact CB-OD1 3.48Å; N169-N192 PolarHBondContact N-OD1 2.91Å; N169-K265 PolarHBondContact O-NZ 3.08Å
170D96.3Very high97.8Very high4 Ų434.9 Ų34.92%0.02117%0.166CC..  trans-121.327.1174.7-72.2-58.7000111F148 E149 V172 N192 R193 K265F148-D170 CarbonylContact O-C 3.54Å; F148-D170 WeakPolarHBondContact O-CA 3.42Å; F148-D170 PolarHBondContact O-N 2.95Å; E149-D170 WeakPolarHBondContact CA-O 3.46Å; E149-D170 HydrophobicContact CG-CB 3.83Å; D170-V172 PolarHBondContact O-N 3.28Å; D170-N192 PolarHBondContact N-OD1 3.39Å; D170-R193 PolarHBondContact O-NH1 3.4Å; D170-K265 IonicContact OD1-NZ 3.17Å; D170-K265 IonicContact OD2-NZ 2.69Å; D170-K265 PolarHBondContact OD2-NZ 3.4Å
171L97.3Very high97.8Very high0 Ų030.1 Ų30.10%015%0.145CC..  trans-61.2125.8-170.6-67172000111.2F148 E149 L151 L166 N169 L174 N192 R193 L194F148-L171 HydrophobicContact CB-CD2 3.88Å; F148-L171 PolarHBondContact O-N 3.23Å; F148-L171 VanDerWaalsContact O-N 3.09Å; E149-L171 WeakPolarHBondContact O-CA 3.42Å; L151-L171 HydrophobicContact CB-CD2 4.38Å; L166-L171 HydrophobicContact CB-CD1 3.81Å; L166-L171 HydrophobicContact CD1-CD1 3.96Å; L166-L171 HydrophobicContact CD2-CD1 4.42Å; L166-L171 HydrophobicContact CG-CD1 4.29Å; N169-L171 HydrophobicContact CB-CG 4.14Å; L171-L174 HydrophobicContact CD1-CD2 4.12Å; L171-N192 HydrophobicContact CB-CB 4.07Å; L171-N192 WeakPolarHBondContact CB-OD1 3.38Å; L171-N192 WeakPolarHBondContact CG-OD1 3.19Å; L171-N192 PolarHBondContact N-OD1 3.01Å; L171-R193 CarbonylContact O-C 3.14Å; L171-R193 VanDerWaalsContact O-CA 3.25Å; L171-R193 WeakPolarHBondContact O-CA 3.04Å; L171-R193 WeakPolarHBondContact O-CB 3.26Å; L171-R193 PolarHBondContact O-N 2.91Å; L171-L194 HydrophobicContact CB-CD2 4.08Å; L171-L194 PolarHBondContact O-N 2.75Å
172V96.9Very high97.6Very high29 Ų2934.5 Ų34.518%0.17618%0.181CC..SBendtrans-95.5-23.9178.8-56.70000112.4E149 L150 D170 R193 P258E149-V172 PolarHBondContact O-N 3.22Å; L150-V172 HydrophobicContact CD2-CG2 3.61Å; D170-V172 PolarHBondContact O-N 3.28Å; V172-R193 HydrophobicContact CG1-CB 4.36Å; V172-P258 HydrophobicContact CB-CB 4.31Å; V172-P258 HydrophobicContact CG1-CB 3.78Å; V172-P258 HydrophobicContact CG1-CG 4.43Å
173S96.5Very high97.6Very high40 Ų4037.1 Ų37.128%0.2819%0.193SC..  trans-152.4163.6174.560.70000110.7
174L97.9Very high97.5Very high4 Ų436 Ų362%0.02119%0.188CC..  trans-106.6141.3165.6-63.1175.3000108.8L166 L171 I189 L194 L197 P198L166-L174 HydrophobicContact CD1-CD2 4.33Å; L171-L174 HydrophobicContact CD1-CD2 4.12Å; L174-I189 HydrophobicContact CD1-CD1 3.98Å; L174-I189 HydrophobicContact CD1-CG2 4.3Å; L174-I189 HydrophobicContact CD2-CG2 4.35Å; L174-L194 HydrophobicContact CD1-CD1 4.35Å; L174-L194 HydrophobicContact CG-CD1 4.23Å; L174-L194 HydrophobicContact CG-CD2 4.16Å; L174-L197 HydrophobicContact CD1-CD2 4.09Å; L174-P198 HydrophobicContact CB-CG 4.02Å
175P97.3Very high97.5Very high16 Ų1640.5 Ų40.510%0.10421%0.207CC..  trans-65.6148.9172.529.3-35000110.2L151 I155 E177 I178L151-P175 HydrophobicContact CB-CG 4.32Å; L151-P175 HydrophobicContact CD2-CG 4.42Å; I155-P175 HydrophobicContact CG2-CG 3.71Å; P175-E177 WeakPolarHBondContact CB-OE2 3.5Å; P175-E177 PolarHBondContact O-N 3.12Å; P175-I178 WeakPolarHBondContact O-CB 3.43Å; P175-I178 VanDerWaalsContact O-CG2 3.23Å; P175-I178 WeakPolarHBondContact O-CG2 3.48Å; P175-I178 PolarHBondContact O-N 2.92Å; P175-I178 VanDerWaalsContact O-N 3.13Å
176R98.1Very high97.5Very high151 Ų15143 Ų4357%0.5722%0.218SC*.G310 helixtrans-61-29.3176.863.6174.4-173.7177.83.9112.3I178 G179 E200R176-I178 PolarHBondContact O-N 2.86Å; R176-G179 PolarHBondContact O-N 3.24Å; R176-E200 HydrophobicContact CB-CB 4.32Å; R176-E200 VanDerWaalsContact CB-CD 3.45Å; R176-E200 HydrophobicContact CB-CG 3.91Å; R176-E200 WeakPolarHBondContact CB-OE2 3.22Å; R176-E200 VanDerWaalsContact O-CB 3.24Å; R176-E200 WeakPolarHBondContact O-CB 3.44Å
177E98.2Very high97.5Very high36 Ų3643 Ų4317%0.16822%0.218CC..G310 helixtrans-63.4-8.9178.4-6773.5-161.900112.6P153 G156 P175 G179 D180P153-E177 HydrophobicContact CB-CG 4.06Å; P153-E177 WeakPolarHBondContact O-CB 3.44Å; P153-E177 WeakPolarHBondContact O-CG 3.5Å; G156-E177 WeakPolarHBondContact CA-O 3.44Å; P175-E177 WeakPolarHBondContact CB-OE2 3.5Å; P175-E177 PolarHBondContact O-N 3.12Å; E177-G179 PolarHBondContact O-N 3.5Å; E177-D180 WeakPolarHBondContact O-CB 3.32Å; E177-D180 PolarHBondContact O-N 3.48Å
178I98Very high97.6Very high0 Ų038.7 Ų38.70%020%0.203CC..G310 helixtrans-56.8-30.8165.8-159.373.1000111.8L164 P175 R176 D180 L181 P198 L201L164-I178 HydrophobicContact CD2-CD1 3.69Å; P175-I178 WeakPolarHBondContact O-CB 3.43Å; P175-I178 VanDerWaalsContact O-CG2 3.23Å; P175-I178 WeakPolarHBondContact O-CG2 3.48Å; P175-I178 PolarHBondContact O-N 2.92Å; P175-I178 VanDerWaalsContact O-N 3.13Å; R176-I178 PolarHBondContact O-N 2.86Å; I178-D180 PolarHBondContact O-N 3.09Å; I178-L181 HydrophobicContact CD1-CD1 3.72Å; I178-L181 HydrophobicContact CG1-CD1 4.44Å; I178-L181 WeakPolarHBondContact O-CB 3.35Å; I178-L181 PolarHBondContact O-N 3.19Å; I178-P198 HydrophobicContact CG2-CG 3.77Å; I178-L201 HydrophobicContact CG1-CD1 4.24Å; I178-L201 HydrophobicContact CG2-CB 4.43Å; I178-L201 HydrophobicContact CG2-CD1 3.94Å
179G97.6Very high97.6Very high7 Ų736.3 Ų36.37%0.07219%0.19CC..G310 helixtrans-68.8-13.2176.100000114.3R176 E177 L181 E200R176-G179 PolarHBondContact O-N 3.24Å; E177-G179 PolarHBondContact O-N 3.5Å; G179-L181 VanDerWaalsContact C-N 3.3Å; G179-E200 VanDerWaalsContact CA-O 3.3Å; G179-E200 WeakPolarHBondContact CA-O 3.45Å
180D98Very high97.7Very high91 Ų9137.4 Ų37.449%0.48720%0.195SC..G310 helixtrans-82.9-10.3178.3-59.6-27.9000112.3E177 I178 A182E177-D180 WeakPolarHBondContact O-CB 3.32Å; E177-D180 PolarHBondContact O-N 3.48Å; I178-D180 PolarHBondContact O-N 3.09Å; D180-A182 PolarHBondContact O-N 3.32Å
181L97.9Very high97.7Very high0 Ų037.8 Ų37.80%020%0.2CC..  trans-78.660.8179.3-57.5-178.5000111.7I155 L158 L161 L164 I178 G179 Q183 L184 L204I155-L181 HydrophobicContact CG1-CD1 4.33Å; I155-L181 WeakPolarHBondContact O-CD2 3.22Å; L158-L181 HydrophobicContact CB-CD2 4.38Å; L158-L181 WeakPolarHBondContact O-CD2 3.39Å; L161-L181 HydrophobicContact CB-CD2 4.48Å; L161-L181 HydrophobicContact CD2-CD1 4.26Å; L164-L181 HydrophobicContact CD2-CD1 4.15Å; I178-L181 HydrophobicContact CD1-CD1 3.72Å; I178-L181 HydrophobicContact CG1-CD1 4.44Å; I178-L181 WeakPolarHBondContact O-CB 3.35Å; I178-L181 PolarHBondContact O-N 3.19Å; G179-L181 VanDerWaalsContact C-N 3.3Å; L181-Q183 PolarHBondContact O-N 3.06Å; L181-L184 HydrophobicContact CB-CB 3.98Å; L181-L184 HydrophobicContact CB-CD2 4.43Å; L181-L184 HydrophobicContact CD1-CD1 4.42Å; L181-L184 HydrophobicContact CD1-CD2 4.2Å; L181-L184 WeakPolarHBondContact O-CB 3.45Å; L181-L184 PolarHBondContact O-N 3.18Å; L181-L204 WeakPolarHBondContact O-CD2 3.12Å
182A95.4Very high97.7Very high91 Ų9138 Ų3875%0.75220%0.201SC*.THydrogen-bonded Turntrans-59.7-16.7-172.400000115.3D180D180-A182 PolarHBondContact O-N 3.32Å
183Q97.4Very high97.7Very high96 Ų9637.3 Ų37.345%0.44920%0.196SC..THydrogen-bonded Turntrans-94.6-0.1175.6-63-162.2-4.100114.2T159 L161 Q162 L181 K185T159-Q183 WeakPolarHBondContact O-CG 3.28Å; L161-Q183 CarbonylContact O-C 3.2Å; Q162-Q183 HydrophobicContact CG-CB 4.49Å; L181-Q183 PolarHBondContact O-N 3.06Å; Q183-K185 PolarHBondContact O-N 3.29Å
184L98.3Very high97.8Very high7 Ų735.4 Ų35.44%0.03718%0.182CC..  trans-67129.3-176.1-160.672.1000110.4L161 L164 L181 L187 L204 L206L161-L184 HydrophobicContact CD2-CD1 4.32Å; L161-L184 HydrophobicContact CG-CD1 4.28Å; L161-L184 WeakPolarHBondContact O-CA 3.49Å; L161-L184 PolarHBondContact O-N 3.4Å; L161-L184 VanDerWaalsContact O-N 3.15Å; L164-L184 HydrophobicContact CB-CD1 3.84Å; L181-L184 HydrophobicContact CB-CB 3.98Å; L181-L184 HydrophobicContact CB-CD2 4.43Å; L181-L184 HydrophobicContact CD1-CD1 4.42Å; L181-L184 HydrophobicContact CD1-CD2 4.2Å; L181-L184 WeakPolarHBondContact O-CB 3.45Å; L181-L184 PolarHBondContact O-N 3.18Å; L184-L187 HydrophobicContact CD2-CB 3.92Å; L184-L187 HydrophobicContact CD2-CD1 4.3Å; L184-L187 HydrophobicContact CD2-CD2 4.36Å; L184-L187 HydrophobicContact CD2-CG 4.42Å; L184-L204 HydrophobicContact CB-CD1 4.45Å; L184-L204 HydrophobicContact CD2-CD1 3.91Å; L184-L206 WeakPolarHBondContact O-CD2 3.39Å
185K98.1Very high97.8Very high94 Ų9436.2 Ų36.241%0.40919%0.187SC..  trans-116-30.3178.9-61.8176.7-175.4173.30111.5Q162 Q183 L206 Q211 V212Q162-K185 PolarHBondContact O-N 3.19Å; Q183-K185 PolarHBondContact O-N 3.29Å; K185-L206 WeakPolarHBondContact O-CD2 3.49Å; K185-Q211 CarbonylContact O-C 3.17Å; K185-Q211 VanDerWaalsContact O-CA 3.25Å; K185-Q211 WeakPolarHBondContact O-CA 3.41Å; K185-V212 PolarHBondContact O-N 3.43Å
186E98.6Very high97.8Very high61 Ų6135.9 Ų35.929%0.28519%0.185SC..EExtended strand (participates in β ladder)trans-129.5121.7-177.4-55-173.7-152.700110.3Q162 I163 L164 H188 V212Q162-E186 PolarHBondContact O-N 2.96Å; I163-E186 WeakPolarHBondContact CA-O 3.25Å; I163-E186 HydrophobicContact CB-CB 4.36Å; I163-E186 HydrophobicContact CG1-CB 4.1Å; I163-E186 HydrophobicContact CG1-CG 4.23Å; I163-E186 HydrophobicContact CG2-CB 4.11Å; L164-E186 PolarHBondContact N-O 2.84Å; E186-H188 IonicContact OE2-NE2 3.94Å; E186-V212 CarbonylContact C-O 3.28Å; E186-V212 VanDerWaalsContact CA-O 3.27Å; E186-V212 WeakPolarHBondContact CA-O 3.35Å; E186-V212 HydrophobicContact CB-CB 4.22Å; E186-V212 HydrophobicContact CG-CB 3.94Å; E186-V212 HydrophobicContact CG-CG2 4.11Å
187L98.8Very high97.8Very high0 Ų028.7 Ų28.70%016%0.158CC..EExtended strand (participates in β ladder)trans-129.7116.1175.9178.560000109.9L164 L184 I189 L201 L206 V212 F213 K214L164-L187 HydrophobicContact CB-CD1 4.16Å; L164-L187 HydrophobicContact CD2-CD1 4.11Å; L164-L187 HydrophobicContact CG-CD1 4.17Å; L164-L187 WeakPolarHBondContact O-CA 3.41Å; L184-L187 HydrophobicContact CD2-CB 3.92Å; L184-L187 HydrophobicContact CD2-CD1 4.3Å; L184-L187 HydrophobicContact CD2-CD2 4.36Å; L184-L187 HydrophobicContact CD2-CG 4.42Å; L187-I189 HydrophobicContact CD1-CG2 3.75Å; L187-I189 HydrophobicContact CG-CG2 4Å; L187-L201 HydrophobicContact CD2-CD1 3.71Å; L187-L206 HydrophobicContact CB-CD1 3.93Å; L187-L206 HydrophobicContact CD2-CD1 4.1Å; L187-V212 PolarHBondContact N-O 2.97Å; L187-F213 HydrophobicContact CB-CD2 4.13Å; L187-F213 HydrophobicContact CD2-CD2 4.07Å; L187-F213 HydrophobicContact CD2-CE2 3.88Å; L187-F213 HydrophobicContact CG-CD2 4.19Å; L187-F213 HydrophobicContact CG-CE2 4.26Å; L187-K214 PolarHBondContact O-N 3.3Å
188H98.8Very high97.8Very high35 Ų3527 Ų2716%0.16215%0.15CC..EExtended strand (participates in β ladder)trans-113.2110.9178.8-59.2-86000110L164 L166 R167 E186 Q190L164-H188 PolarHBondContact O-N 2.96Å; L166-H188 CarbonylContact C-O 3.33Å; L166-H188 WeakPolarHBondContact CA-O 3.36Å; L166-H188 PolarHBondContact N-O 2.8Å; R167-H188 PolarHBondContact N-O 3.42Å; E186-H188 IonicContact OE2-NE2 3.94Å; H188-Q190 VanDerWaalsContact CB-OE1 3.28Å
189I98.4Very high97.9Very high0 Ų027.9 Ų27.90%016%0.156CC..  trans-127.317.5-178.858.7174.1000112L166 L174 L187 N192 L194 L197 F213 K214 A215 N218 W220L166-I189 HydrophobicContact CB-CG2 4.36Å; L166-I189 HydrophobicContact CD1-CG2 4.29Å; L174-I189 HydrophobicContact CD1-CD1 3.98Å; L174-I189 HydrophobicContact CD1-CG2 4.3Å; L174-I189 HydrophobicContact CD2-CG2 4.35Å; L187-I189 HydrophobicContact CD1-CG2 3.75Å; L187-I189 HydrophobicContact CG-CG2 4Å; I189-N192 PolarHBondContact O-ND2 2.75Å; I189-L194 HydrophobicContact CB-CD1 4.01Å; I189-L194 HydrophobicContact CD1-CD1 3.77Å; I189-L194 HydrophobicContact CG1-CD1 4.23Å; I189-L197 HydrophobicContact CD1-CD2 3.71Å; I189-F213 HydrophobicContact CD1-CE2 3.66Å; I189-F213 HydrophobicContact CD1-CZ 3.84Å; I189-F213 HydrophobicContact CG1-CE2 4.13Å; I189-K214 VanDerWaalsContact CG1-O 3.26Å; I189-K214 WeakPolarHBondContact CG1-O 3.47Å; I189-K214 PolarHBondContact N-O 3Å; I189-A215 HydrophobicContact CD1-CB 3.82Å; I189-A215 HydrophobicContact CG1-CB 3.69Å; I189-N218 PolarHBondContact O-ND2 3.43Å; I189-W220 HydrophobicContact CD1-CH2 4.44Å
190Q97.6Very high97.9Very high24 Ų2430.6 Ų30.611%0.11217%0.166CC..  trans-63.6153.6-179.9-45.895.4-53.900112.1R167 D168 H188 N192 K214 E216R167-Q190 CarbonylContact C-O 3.3Å; R167-Q190 VanDerWaalsContact CA-O 3.26Å; R167-Q190 WeakPolarHBondContact CA-O 3.26Å; R167-Q190 HydrophobicContact CG-CB 4.36Å; D168-Q190 PolarHBondContact N-O 2.69Å; H188-Q190 VanDerWaalsContact CB-OE1 3.28Å; Q190-N192 VanDerWaalsContact C-N 3.35Å; Q190-N192 PolarHBondContact O-N 3Å; Q190-N192 PolarHBondContact O-ND2 3.34Å; Q190-K214 HydrophobicContact CG-CB 3.66Å; Q190-E216 CarbonylContact C-O 3.44Å; Q190-E216 WeakPolarHBondContact CA-O 3.34Å; Q190-E216 VanDerWaalsContact CB-O 3.27Å; Q190-E216 WeakPolarHBondContact CB-O 3.41Å; Q190-E216 HydrophobicContact CG-CB 4.38Å; Q190-E216 WeakPolarHBondContact CG-OE2 3.48Å
191G96.7Very high97.9Very high12 Ų1226.2 Ų26.212%0.12414%0.143CC..SBendtrans67.636.2172.300000113.1D168 E216 N217D168-G191 WeakPolarHBondContact CA-O 3.42Å; G191-E216 PolarHBondContact N-O 3.17Å; G191-N217 VanDerWaalsContact CA-O 3.28Å; G191-N217 WeakPolarHBondContact CA-O 3.5Å; G191-N217 PolarHBondContact N-O 3.43Å
192N97.9Very high97.8Very high3 Ų326.5 Ų26.52%0.01615%0.146CC..SBendtrans-113.8-166.4175.3-79.7-74.3000110.1L166 N169 D170 L171 I189 Q190 L194 N218L166-N192 PolarHBondContact O-ND2 3.37Å; N169-N192 VanDerWaalsContact CA-OD1 3.28Å; N169-N192 WeakPolarHBondContact CA-OD1 3.11Å; N169-N192 WeakPolarHBondContact CB-OD1 3.48Å; N169-N192 PolarHBondContact N-OD1 2.91Å; D170-N192 PolarHBondContact N-OD1 3.39Å; L171-N192 HydrophobicContact CB-CB 4.07Å; L171-N192 WeakPolarHBondContact CB-OD1 3.38Å; L171-N192 WeakPolarHBondContact CG-OD1 3.19Å; L171-N192 PolarHBondContact N-OD1 3.01Å; I189-N192 PolarHBondContact O-ND2 2.75Å; Q190-N192 VanDerWaalsContact C-N 3.35Å; Q190-N192 PolarHBondContact O-N 3Å; Q190-N192 PolarHBondContact O-ND2 3.34Å; N192-L194 HydrophobicContact CB-CD1 4.36Å; N192-L194 HydrophobicContact CB-CG 4.06Å; N192-N218 VanDerWaalsContact CA-OD1 3.22Å; N192-N218 WeakPolarHBondContact CA-OD1 3.12Å; N192-N218 WeakPolarHBondContact CB-OD1 3.47Å; N192-N218 PolarHBondContact N-OD1 3.05Å; N192-N218 PolarHBondContact O-OD1 3.38Å; N192-N218 VanDerWaalsContact O-OD1 3.13Å
193R97.3Very high97.9Very high16 Ų1627.9 Ų27.96%0.0614%0.141CC..  trans-114.828-179.5-62.9159.461-153.62111E149 D170 L171 V172 N218 P258 P259E149-R193 IonicContact OE2-NH1 3.63Å; E149-R193 PolarHBondContact OE2-NH1 3Å; D170-R193 PolarHBondContact O-NH1 3.4Å; L171-R193 CarbonylContact O-C 3.14Å; L171-R193 VanDerWaalsContact O-CA 3.25Å; L171-R193 WeakPolarHBondContact O-CA 3.04Å; L171-R193 WeakPolarHBondContact O-CB 3.26Å; L171-R193 PolarHBondContact O-N 2.91Å; V172-R193 HydrophobicContact CG1-CB 4.36Å; R193-N218 PolarHBondContact N-OD1 3.14Å; R193-P258 VanDerWaalsContact NH2-CB 3.32Å; R193-P259 HydrophobicContact CB-CB 4.41Å; R193-P259 PolarHBondContact NE-O 3Å; R193-P259 PolarHBondContact NH2-O 2.88Å
194L97.9Very high97.8Very high0 Ų023.6 Ų23.60%012%0.121CC..  trans-72.8133.1-177.8-58.8172.4000110.1L171 L174 I189 N192 N218 P219 W220L171-L194 HydrophobicContact CB-CD2 4.08Å; L171-L194 PolarHBondContact O-N 2.75Å; L174-L194 HydrophobicContact CD1-CD1 4.35Å; L174-L194 HydrophobicContact CG-CD1 4.23Å; L174-L194 HydrophobicContact CG-CD2 4.16Å; I189-L194 HydrophobicContact CB-CD1 4.01Å; I189-L194 HydrophobicContact CD1-CD1 3.77Å; I189-L194 HydrophobicContact CG1-CD1 4.23Å; N192-L194 HydrophobicContact CB-CD1 4.36Å; N192-L194 HydrophobicContact CB-CG 4.06Å; L194-N218 HydrophobicContact CB-CB 4.33Å; L194-N218 WeakPolarHBondContact CB-OD1 3.24Å; L194-N218 PolarHBondContact N-OD1 2.91Å; L194-P219 CarbonylContact O-C 3.45Å; L194-P219 VanDerWaalsContact O-CD 3.28Å; L194-P219 WeakPolarHBondContact O-CD 3.38Å; L194-W220 HydrophobicContact CB-CE3 4.43Å; L194-W220 HydrophobicContact CB-CH2 3.36Å; L194-W220 HydrophobicContact CB-CZ2 4.21Å; L194-W220 HydrophobicContact CB-CZ3 3.51Å; L194-W220 HydrophobicContact CD1-CH2 3.84Å; L194-W220 HydrophobicContact CG-CH2 4.25Å
195T97.6Very high97.4Very high21 Ų2127.7 Ų27.713%0.12914%0.143CC..SBendtrans-107.4-26.9178.254.50000112.2P219 V221 H251 P259T195-P219 HydrophobicContact CG2-CG 4.32Å; T195-P219 WeakPolarHBondContact CG2-O 3.42Å; T195-V221 PolarHBondContact O-N 3.2Å; T195-H251 PolarHBondContact OG1-NE2 3.13Å; T195-P259 HydrophobicContact CG2-CG 3.46Å; T195-P259 VanDerWaalsContact CG2-CG 3.46Å
196V98.1Very high97.2Very high8 Ų823.3 Ų23.35%0.04812%0.124CC..  trans-146164.2177.4-66.70000109.8V221 L247 Y248 H251 M252V196-V221 HydrophobicContact CG1-CG2 3.75Å; V196-L247 HydrophobicContact CG1-CD2 4.32Å; V196-Y248 HydrophobicContact CB-CD2 4.09Å; V196-Y248 HydrophobicContact CB-CE2 4.45Å; V196-Y248 HydrophobicContact CG2-CD2 3.74Å; V196-Y248 HydrophobicContact CG2-CE2 3.73Å; V196-H251 VanDerWaalsContact CG2-CD2 3.5Å; V196-H251 WeakPolarHBondContact CG2-CD2 3.27Å; V196-M252 HydrophobicContact CG2-CE 3.65Å
197L98.3Very high96.8Very high0 Ų022.8 Ų22.80%013%0.125CC..  trans-107.2143.9171.6-62.4173.1000110.9L174 I189 L201 F213 W220 I224 F228 V235 V239 Y244 Y248L174-L197 HydrophobicContact CD1-CD2 4.09Å; I189-L197 HydrophobicContact CD1-CD2 3.71Å; L197-L201 HydrophobicContact CB-CD2 4.11Å; L197-L201 HydrophobicContact CD1-CD2 3.75Å; L197-L201 HydrophobicContact CD2-CD2 4.07Å; L197-L201 HydrophobicContact CG-CD2 4.19Å; L197-F213 HydrophobicContact CD1-CE1 4.33Å; L197-F213 HydrophobicContact CD1-CZ 3.83Å; L197-F213 HydrophobicContact CD2-CZ 4.5Å; L197-W220 HydrophobicContact CD2-CH2 3.59Å; L197-W220 HydrophobicContact CD2-CZ3 3.91Å; L197-W220 HydrophobicContact CG-CH2 4.03Å; L197-W220 HydrophobicContact CG-CZ3 3.95Å; L197-I224 HydrophobicContact CB-CD1 4.13Å; L197-I224 HydrophobicContact CD1-CD1 3.83Å; L197-I224 HydrophobicContact CG-CD1 3.84Å; L197-F228 HydrophobicContact CD1-CZ 4.1Å; L197-V235 HydrophobicContact CD1-CG1 3.99Å; L197-V239 HydrophobicContact CB-CG1 4.33Å; L197-V239 HydrophobicContact CD1-CG1 4.47Å; L197-Y244 WeakPolarHBondContact CA-OH 3.32Å; L197-Y244 PolarHBondContact N-OH 2.96Å; L197-Y244 VanDerWaalsContact O-CE1 3.28Å; L197-Y244 WeakPolarHBondContact O-CE1 3.48Å; L197-Y244 PolarHBondContact O-OH 2.81Å; L197-Y248 VanDerWaalsContact O-CD2 3.26Å; L197-Y248 WeakPolarHBondContact O-CD2 3.43Å; L197-Y248 WeakPolarHBondContact O-CE2 3.19Å
198P98.1Very high96.4Very high2 Ų223.7 Ų23.71%0.01313%0.134CC..  trans-62.8136.5172.826.4-33000110.3L174 I178 E200 L201L174-P198 HydrophobicContact CB-CG 4.02Å; I178-P198 HydrophobicContact CG2-CG 3.77Å; P198-E200 PolarHBondContact O-N 3.23Å; P198-E200 VanDerWaalsContact O-N 3.14Å; P198-L201 HydrophobicContact CG-CB 4.46Å; P198-L201 WeakPolarHBondContact O-CB 3.46Å; P198-L201 PolarHBondContact O-N 3.36Å
199P98.4Very high95.8Very high18 Ų1828.7 Ų28.712%0.11717%0.169CC..G310 helixtrans-55.8-29.7178.3-2735.1000113.8L201 G202 Y244 K245 Y248P199-L201 PolarHBondContact O-N 3.23Å; P199-G202 PolarHBondContact O-N 3.02Å; P199-Y244 HydrophobicContact CG-CD1 4.29Å; P199-Y244 HydrophobicContact CG-CE1 4.21Å; P199-K245 HydrophobicContact CB-CG 3.89Å; P199-K245 HydrophobicContact CG-CG 4.08Å; P199-Y248 VanDerWaalsContact CD-CD1 3.49Å; P199-Y248 HydrophobicContact CG-CD1 3.82Å; P199-Y248 HydrophobicContact CG-CE1 4.39Å; P199-Y248 HydrophobicContact CG-CG 3.9Å
200E98.4Very high95.4Very high63 Ų6337.2 Ų37.229%0.29421%0.207SC..G310 helixtrans-61.1-21.2176.5-65.881.6177.100112.9R176 G179 P198 G202 N203R176-E200 HydrophobicContact CB-CB 4.32Å; R176-E200 VanDerWaalsContact CB-CD 3.45Å; R176-E200 HydrophobicContact CB-CG 3.91Å; R176-E200 WeakPolarHBondContact CB-OE2 3.22Å; R176-E200 VanDerWaalsContact O-CB 3.24Å; R176-E200 WeakPolarHBondContact O-CB 3.44Å; G179-E200 VanDerWaalsContact CA-O 3.3Å; G179-E200 WeakPolarHBondContact CA-O 3.45Å; P198-E200 PolarHBondContact O-N 3.23Å; P198-E200 VanDerWaalsContact O-N 3.14Å; E200-G202 PolarHBondContact O-N 3.39Å; E200-N203 WeakPolarHBondContact O-CB 3.48Å; E200-N203 PolarHBondContact O-N 3.32Å; E200-N203 PolarHBondContact O-ND2 2.7Å
201L97.8Very high95.3Very high0 Ų038.4 Ų38.40%021%0.212CC..G310 helixtrans-58.7-29.3170.6-169.870.7000111.5I178 L187 L197 P198 P199 N203 L204 F213 F236I178-L201 HydrophobicContact CG1-CD1 4.24Å; I178-L201 HydrophobicContact CG2-CB 4.43Å; I178-L201 HydrophobicContact CG2-CD1 3.94Å; L187-L201 HydrophobicContact CD2-CD1 3.71Å; L197-L201 HydrophobicContact CB-CD2 4.11Å; L197-L201 HydrophobicContact CD1-CD2 3.75Å; L197-L201 HydrophobicContact CD2-CD2 4.07Å; L197-L201 HydrophobicContact CG-CD2 4.19Å; P198-L201 HydrophobicContact CG-CB 4.46Å; P198-L201 WeakPolarHBondContact O-CB 3.46Å; P198-L201 PolarHBondContact O-N 3.36Å; P199-L201 PolarHBondContact O-N 3.23Å; L201-N203 PolarHBondContact O-N 3.4Å; L201-N203 VanDerWaalsContact O-N 3.15Å; L201-L204 HydrophobicContact CD1-CD1 3.76Å; L201-L204 WeakPolarHBondContact O-CB 3.45Å; L201-L204 PolarHBondContact O-N 3.27Å; L201-F213 HydrophobicContact CD2-CE2 4.19Å; L201-F213 HydrophobicContact CD2-CZ 4.13Å; L201-F236 HydrophobicContact CD2-CZ 4.26Å; L201-F236 HydrophobicContact CG-CE1 4.25Å; L201-F236 HydrophobicContact CG-CZ 4.15Å; L201-F236 WeakPolarHBondContact O-CE1 3.25Å
202G96.8Very high95.3Very high6 Ų639.9 Ų39.96%0.06222%0.219CC..G310 helixtrans-61.8-16.3174.600000114.5P199 E200 L204 R240P199-G202 PolarHBondContact O-N 3.02Å; E200-G202 PolarHBondContact O-N 3.39Å; G202-L204 PolarHBondContact O-N 3.13Å; G202-R240 PolarHBondContact O-NE 3Å; G202-R240 PolarHBondContact O-NH2 3.4Å
203N96.4Very high95.4Very high120 Ų12040.2 Ų40.264%0.64222%0.22SC*.G310 helixtrans-71.2-19.6173.9-62.7-17.3000112.4E200 L201E200-N203 WeakPolarHBondContact O-CB 3.48Å; E200-N203 PolarHBondContact O-N 3.32Å; E200-N203 PolarHBondContact O-ND2 2.7Å; L201-N203 PolarHBondContact O-N 3.4Å; L201-N203 VanDerWaalsContact O-N 3.15Å
204L96.1Very high95.4Very high6 Ų643.4 Ų43.43%0.03123%0.234CC..SBendtrans-83.9144.9179.2-51.2-174.6000110.8L181 L184 L201 G202 L206 R240L181-L204 WeakPolarHBondContact O-CD2 3.12Å; L184-L204 HydrophobicContact CB-CD1 4.45Å; L184-L204 HydrophobicContact CD2-CD1 3.91Å; L201-L204 HydrophobicContact CD1-CD1 3.76Å; L201-L204 WeakPolarHBondContact O-CB 3.45Å; L201-L204 PolarHBondContact O-N 3.27Å; G202-L204 PolarHBondContact O-N 3.13Å; L204-L206 HydrophobicContact CB-CD1 4.16Å; L204-L206 HydrophobicContact CB-CG 3.99Å; L204-L206 HydrophobicContact CD1-CD1 3.91Å; L204-L206 HydrophobicContact CD1-CG 4.49Å; L204-L206 PolarHBondContact O-N 3.09Å; L204-R240 PolarHBondContact O-NH2 3.21Å
205D89.5Confident95.4Very high92 Ų9243.5 Ų43.549%0.49224%0.235SC..  trans-93.588.9166.6177.420.9000108.7Q211D205-Q211 WeakPolarHBondContact O-CG 3.41Å; D205-Q211 PolarHBondContact OD2-NE2 3.07Å
206L93.6Very high95.3Very high3 Ų346.8 Ų46.82%0.01625%0.249CC..  trans-11312.6176.8-65.7174.7000113L184 K185 L187 L204 F213 F236L184-L206 WeakPolarHBondContact O-CD2 3.39Å; K185-L206 WeakPolarHBondContact O-CD2 3.49Å; L187-L206 HydrophobicContact CB-CD1 3.93Å; L187-L206 HydrophobicContact CD2-CD1 4.1Å; L204-L206 HydrophobicContact CB-CD1 4.16Å; L204-L206 HydrophobicContact CB-CG 3.99Å; L204-L206 HydrophobicContact CD1-CD1 3.91Å; L204-L206 HydrophobicContact CD1-CG 4.49Å; L204-L206 PolarHBondContact O-N 3.09Å; L206-F213 HydrophobicContact CB-CB 4.24Å; L206-F213 HydrophobicContact CD1-CD2 4.3Å; L206-F236 HydrophobicContact CB-CE1 4.12Å; L206-F236 HydrophobicContact CB-CE2 4.13Å; L206-F236 HydrophobicContact CB-CZ 3.62Å; L206-F236 HydrophobicContact CD1-CE1 4.44Å; L206-F236 HydrophobicContact CD1-CZ 3.82Å; L206-F236 HydrophobicContact CG-CZ 4.19Å
207T91.3Very high95.2Very high50 Ų5052.9 Ų52.931%0.30728%0.281SS..SBendtrans-103-11.5-17649.40000113.7V232 F236T207-V232 HydrophobicContact CG2-CG1 4.16Å; T207-F236 HydrophobicContact CG2-CB 3.65Å; T207-F236 HydrophobicContact CG2-CD1 4.44Å; T207-F236 HydrophobicContact CG2-CD2 3.77Å; T207-F236 HydrophobicContact CG2-CG 3.68Å
208G89.3Confident95.2Very high18 Ų1853.8 Ų53.819%0.18629%0.286CS..SBendtrans-73.1173-178.200000114.7K210 Q211G208-K210 VanDerWaalsContact C-N 3.25Å; G208-K210 PolarHBondContact O-N 3.5Å; G208-Q211 PolarHBondContact O-N 3.33Å; G208-Q211 PolarHBondContact O-OE1 3.1Å; G208-Q211 VanDerWaalsContact O-OE1 3.09Å
209P86.8Confident95.1Very high140 Ų14056.5 Ų56.591%0.90930%0.304SS*.THydrogen-bonded Turntrans-71.1-13.6-172.928.9-36.3000114.8
210K90.4Very high95.1Very high180 Ų18057.3 Ų57.378%0.78331%0.305SS*.THydrogen-bonded Turntrans-111.515.5177.8-65.2-175.6179.9178.90111.7G208G208-K210 VanDerWaalsContact C-N 3.25Å; G208-K210 PolarHBondContact O-N 3.5Å
211Q95.4Very high95Very high48 Ų4856.2 Ų56.222%0.22430%0.302CS..  trans-115.3148.2-176.4-69.988.5-14.900110.3K185 D205 G208K185-Q211 CarbonylContact O-C 3.17Å; K185-Q211 VanDerWaalsContact O-CA 3.25Å; K185-Q211 WeakPolarHBondContact O-CA 3.41Å; D205-Q211 WeakPolarHBondContact O-CG 3.41Å; D205-Q211 PolarHBondContact OD2-NE2 3.07Å; G208-Q211 PolarHBondContact O-N 3.33Å; G208-Q211 PolarHBondContact O-OE1 3.1Å; G208-Q211 VanDerWaalsContact O-OE1 3.09Å
212V96.9Very high95Very high44 Ų4460.9 Ų60.927%0.26733%0.331SS..EExtended strand (participates in β ladder)trans-130.8113.6-177.8-177.60000108.6K185 E186 L187 K214K185-V212 PolarHBondContact O-N 3.43Å; E186-V212 CarbonylContact C-O 3.28Å; E186-V212 VanDerWaalsContact CA-O 3.27Å; E186-V212 WeakPolarHBondContact CA-O 3.35Å; E186-V212 HydrophobicContact CB-CB 4.22Å; E186-V212 HydrophobicContact CG-CB 3.94Å; E186-V212 HydrophobicContact CG-CG2 4.11Å; L187-V212 PolarHBondContact N-O 2.97Å; V212-K214 HydrophobicContact CG1-CG 3.8Å
213F98.2Very high95Very high10 Ų1062.8 Ų62.84%0.04434%0.342CS..EExtended strand (participates in β ladder)trans-116.4124.9166.5179.6-119.2000109.3L187 I189 L197 L201 L206 A215 F228 V232 V235 F236L187-F213 HydrophobicContact CB-CD2 4.13Å; L187-F213 HydrophobicContact CD2-CD2 4.07Å; L187-F213 HydrophobicContact CD2-CE2 3.88Å; L187-F213 HydrophobicContact CG-CD2 4.19Å; L187-F213 HydrophobicContact CG-CE2 4.26Å; I189-F213 HydrophobicContact CD1-CE2 3.66Å; I189-F213 HydrophobicContact CD1-CZ 3.84Å; I189-F213 HydrophobicContact CG1-CE2 4.13Å; L197-F213 HydrophobicContact CD1-CE1 4.33Å; L197-F213 HydrophobicContact CD1-CZ 3.83Å; L197-F213 HydrophobicContact CD2-CZ 4.5Å; L201-F213 HydrophobicContact CD2-CE2 4.19Å; L201-F213 HydrophobicContact CD2-CZ 4.13Å; L206-F213 HydrophobicContact CB-CB 4.24Å; L206-F213 HydrophobicContact CD1-CD2 4.3Å; F213-A215 HydrophobicContact CE1-CB 3.8Å; F213-A215 HydrophobicContact CE2-CB 4.22Å; F213-A215 HydrophobicContact CZ-CB 3.62Å; F213-F228 AromaticContact CE1-CE1 3.78Å; F213-F228 HydrophobicContact CE1-CE1 3.78Å; F213-F228 HydrophobicContact CE1-CZ 4.13Å; F213-V232 HydrophobicContact CB-CG1 3.94Å; F213-V232 HydrophobicContact CD1-CG1 3.84Å; F213-V232 HydrophobicContact CD1-CG2 4.2Å; F213-V232 HydrophobicContact CG-CG1 4.35Å; F213-V235 HydrophobicContact CE1-CG1 4.48Å; F213-F236 HydrophobicContact CB-CE2 4.35Å; F213-F236 AromaticContact CD1-CE2 3.74Å; F213-F236 HydrophobicContact CD1-CE2 3.74Å; F213-F236 HydrophobicContact CE1-CE2 4.04Å; F213-F236 AromaticContact CG-CE2 3.95Å; F213-F236 HydrophobicContact CG-CE2 3.95Å; F213-F236 HydrophobicContact CG-CZ 4.45Å
214K98Very high95.1Very high83 Ų8357.1 Ų57.136%0.36131%0.312SS..EExtended strand (participates in β ladder)trans-131.5123179.4-62.1-68.1-174.6-175.70110.3L187 I189 Q190 V212 E216L187-K214 PolarHBondContact O-N 3.3Å; I189-K214 VanDerWaalsContact CG1-O 3.26Å; I189-K214 WeakPolarHBondContact CG1-O 3.47Å; I189-K214 PolarHBondContact N-O 3Å; Q190-K214 HydrophobicContact CG-CB 3.66Å; V212-K214 HydrophobicContact CG1-CG 3.8Å; K214-E216 WeakPolarHBondContact CA-OE2 3.46Å; K214-E216 WeakPolarHBondContact CB-OE2 3.35Å; K214-E216 WeakPolarHBondContact CD-OE1 3.38Å; K214-E216 IonicContact NZ-OE1 2.72Å
215A97.6Very high95.2Very high2 Ų258 Ų582%0.01732%0.32CS..  trans-14315-171.500000113.4I189 F213 N218 W220 F228I189-A215 HydrophobicContact CD1-CB 3.82Å; I189-A215 HydrophobicContact CG1-CB 3.69Å; F213-A215 HydrophobicContact CE1-CB 3.8Å; F213-A215 HydrophobicContact CE2-CB 4.22Å; F213-A215 HydrophobicContact CZ-CB 3.62Å; A215-N218 PolarHBondContact O-ND2 3.4Å; A215-N218 VanDerWaalsContact O-ND2 3.07Å; A215-W220 HydrophobicContact CB-CZ2 3.82Å; A215-W220 WeakPolarHBondContact O-CZ2 3.16Å; A215-W220 PolarHBondContact O-NE1 3.43Å; A215-F228 HydrophobicContact CB-CE1 3.63Å; A215-F228 HydrophobicContact CB-CZ 3.69Å
216E96.2Very high95.6Very high90 Ų9057.7 Ų57.742%0.42132%0.318SS..  trans-61.5162.3178.9-55.889.3159.900111.7Q190 G191 K214 N218Q190-E216 CarbonylContact C-O 3.44Å; Q190-E216 WeakPolarHBondContact CA-O 3.34Å; Q190-E216 VanDerWaalsContact CB-O 3.27Å; Q190-E216 WeakPolarHBondContact CB-O 3.41Å; Q190-E216 HydrophobicContact CG-CB 4.38Å; Q190-E216 WeakPolarHBondContact CG-OE2 3.48Å; G191-E216 PolarHBondContact N-O 3.17Å; K214-E216 WeakPolarHBondContact CA-OE2 3.46Å; K214-E216 WeakPolarHBondContact CB-OE2 3.35Å; K214-E216 WeakPolarHBondContact CD-OE1 3.38Å; K214-E216 IonicContact NZ-OE1 2.72Å; E216-N218 PolarHBondContact O-N 3.24Å; E216-N218 PolarHBondContact O-ND2 2.83Å
217N96Very high95.8Very high136 Ų13659.5 Ų59.573%0.72733%0.327SS*.SBendtrans5846.6178.2-54-30.1000113.8G191G191-N217 VanDerWaalsContact CA-O 3.28Å; G191-N217 WeakPolarHBondContact CA-O 3.5Å; G191-N217 PolarHBondContact N-O 3.43Å
218N97.4Very high96Very high19 Ų1959.2 Ų59.210%0.10232%0.321CS..SBendtrans-126.7147.2170.5-82.4-80.2000109.1I189 N192 R193 L194 A215 E216 W220I189-N218 PolarHBondContact O-ND2 3.43Å; N192-N218 VanDerWaalsContact CA-OD1 3.22Å; N192-N218 WeakPolarHBondContact CA-OD1 3.12Å; N192-N218 WeakPolarHBondContact CB-OD1 3.47Å; N192-N218 PolarHBondContact N-OD1 3.05Å; N192-N218 PolarHBondContact O-OD1 3.38Å; N192-N218 VanDerWaalsContact O-OD1 3.13Å; R193-N218 PolarHBondContact N-OD1 3.14Å; L194-N218 HydrophobicContact CB-CB 4.33Å; L194-N218 WeakPolarHBondContact CB-OD1 3.24Å; L194-N218 PolarHBondContact N-OD1 2.91Å; A215-N218 PolarHBondContact O-ND2 3.4Å; A215-N218 VanDerWaalsContact O-ND2 3.07Å; E216-N218 PolarHBondContact O-N 3.24Å; E216-N218 PolarHBondContact O-ND2 2.83Å; N218-W220 HydrophobicContact CB-CD2 3.97Å; N218-W220 HydrophobicContact CB-CG 4.39Å; N218-W220 HydrophobicContact CB-CH2 4.13Å; N218-W220 HydrophobicContact CB-CZ2 3.4Å; N218-W220 VanDerWaalsContact CB-CZ2 3.4Å; N218-W220 PolarHBondContact O-N 3.27Å
219P97Very high96.4Very high59 Ų5966.2 Ų66.238%0.38335%0.349SS..  trans-78.260.2179.534.5-37.7000112.1L194 T195 P259L194-P219 CarbonylContact O-C 3.45Å; L194-P219 VanDerWaalsContact O-CD 3.28Å; L194-P219 WeakPolarHBondContact O-CD 3.38Å; T195-P219 HydrophobicContact CG2-CG 4.32Å; T195-P219 WeakPolarHBondContact CG2-O 3.42Å; P219-P259 HydrophobicContact CB-CB 4.32Å; P219-P259 HydrophobicContact CB-CG 4.26Å; P219-P259 HydrophobicContact CG-CB 3.7Å; P219-P259 HydrophobicContact CG-CG 3.54Å
220W97.8Very high96.9Very high35 Ų3564.5 Ų64.513%0.13333%0.332CS..  trans-56.9139.3179.4-61.8122000112.3I189 L194 L197 A215 N218 I224 A225 F228I189-W220 HydrophobicContact CD1-CH2 4.44Å; L194-W220 HydrophobicContact CB-CE3 4.43Å; L194-W220 HydrophobicContact CB-CH2 3.36Å; L194-W220 HydrophobicContact CB-CZ2 4.21Å; L194-W220 HydrophobicContact CB-CZ3 3.51Å; L194-W220 HydrophobicContact CD1-CH2 3.84Å; L194-W220 HydrophobicContact CG-CH2 4.25Å; L197-W220 HydrophobicContact CD2-CH2 3.59Å; L197-W220 HydrophobicContact CD2-CZ3 3.91Å; L197-W220 HydrophobicContact CG-CH2 4.03Å; L197-W220 HydrophobicContact CG-CZ3 3.95Å; A215-W220 HydrophobicContact CB-CZ2 3.82Å; A215-W220 WeakPolarHBondContact O-CZ2 3.16Å; A215-W220 PolarHBondContact O-NE1 3.43Å; N218-W220 HydrophobicContact CB-CD2 3.97Å; N218-W220 HydrophobicContact CB-CG 4.39Å; N218-W220 HydrophobicContact CB-CH2 4.13Å; N218-W220 HydrophobicContact CB-CZ2 3.4Å; N218-W220 VanDerWaalsContact CB-CZ2 3.4Å; N218-W220 PolarHBondContact O-N 3.27Å; W220-I224 HydrophobicContact CB-CG2 3.9Å; W220-I224 HydrophobicContact CD2-CG2 4.39Å; W220-I224 HydrophobicContact CE3-CG2 4.04Å; W220-I224 HydrophobicContact CG-CG2 4.36Å; W220-A225 HydrophobicContact CB-CB 3.77Å; W220-F228 AromaticContact CD1-CD2 3.68Å; W220-F228 AromaticContact CD1-CE2 3.72Å; W220-F228 HydrophobicContact CD2-CD2 4.25Å; W220-F228 AromaticContact CD2-CE2 3.59Å; W220-F228 HydrophobicContact CD2-CE2 3.59Å; W220-F228 HydrophobicContact CD2-CZ 4.37Å; W220-F228 AromaticContact CE2-CE2 3.41Å; W220-F228 VanDerWaalsContact CE2-CE2 3.41Å; W220-F228 AromaticContact CE2-CZ 3.78Å; W220-F228 HydrophobicContact CE3-CE2 4.21Å; W220-F228 HydrophobicContact CG-CD2 4Å; W220-F228 AromaticContact CG-CE2 3.84Å; W220-F228 HydrophobicContact CG-CE2 3.84Å; W220-F228 AromaticContact CZ2-CE2 4Å; W220-F228 HydrophobicContact CZ2-CE2 4Å; W220-F228 AromaticContact CZ2-CZ 3.93Å; W220-F228 HydrophobicContact CZ2-CZ 3.93Å; W220-F228 AromaticContact NE1-CD2 3.76Å; W220-F228 AromaticContact NE1-CE2 3.43Å; W220-F228 AromaticContact NE1-CZ 3.89Å
221V97.4Very high97.1Very high40 Ų4057.2 Ų57.224%0.24231%0.308CS..  trans-65.8147.8167.5-62.50000110.3T195 V196 P223 I224 A225 L247T195-V221 PolarHBondContact O-N 3.2Å; V196-V221 HydrophobicContact CG1-CG2 3.75Å; V221-P223 VanDerWaalsContact C-CD 3.46Å; V221-P223 VanDerWaalsContact C-N 3.33Å; V221-P223 VanDerWaalsContact O-N 3.11Å; V221-I224 HydrophobicContact CG2-CG2 3.93Å; V221-I224 WeakPolarHBondContact O-CG2 3.49Å; V221-I224 PolarHBondContact O-N 3.47Å; V221-I224 VanDerWaalsContact O-N 3.15Å; V221-A225 WeakPolarHBondContact O-CB 3.36Å; V221-A225 PolarHBondContact O-N 3.48Å; V221-L247 HydrophobicContact CG2-CD2 4.46Å
222T97.4Very high97.1Very high98 Ų9857.3 Ų57.360%0.60131%0.312SS*.Hα-helixtrans-46.4-47.6-172.4-47.90000113.9I224 A225 D226T222-I224 VanDerWaalsContact C-N 3.34Å; T222-I224 PolarHBondContact O-N 3.47Å; T222-A225 WeakPolarHBondContact O-CB 3.43Å; T222-A225 PolarHBondContact O-N 3.24Å; T222-A225 VanDerWaalsContact O-N 3.13Å; T222-D226 VanDerWaalsContact O-CG 3.22Å; T222-D226 PolarHBondContact O-N 3.45Å
223P97.3Very high97Very high46 Ų4658 Ų5830%0.29932%0.318SS..Hα-helixtrans-62.1-35.9-174.2-28.140.1000114.8V221 Q227 Y238 L247V221-P223 VanDerWaalsContact C-CD 3.46Å; V221-P223 VanDerWaalsContact C-N 3.33Å; V221-P223 VanDerWaalsContact O-N 3.11Å; P223-Q227 WeakPolarHBondContact O-CG 3.49Å; P223-Q227 PolarHBondContact O-NE2 3.03Å; P223-Y238 HydrophobicContact CB-CE1 4.29Å; P223-Y238 VanDerWaalsContact CB-OH 3.25Å; P223-Y238 WeakPolarHBondContact CB-OH 3.3Å; P223-Y238 WeakPolarHBondContact O-CE1 3.39Å; P223-L247 HydrophobicContact CB-CD1 3.66Å; P223-L247 HydrophobicContact CG-CD1 3.66Å
224I97.3Very high97Very high0 Ų061.3 Ų61.30%033%0.334CS..Hα-helixtrans-84.9-32.4175-163.8177.1000111.6L197 W220 V221 T222 D226 Q227 F228 V235 Y238 V239 Y244L197-I224 HydrophobicContact CB-CD1 4.13Å; L197-I224 HydrophobicContact CD1-CD1 3.83Å; L197-I224 HydrophobicContact CG-CD1 3.84Å; W220-I224 HydrophobicContact CB-CG2 3.9Å; W220-I224 HydrophobicContact CD2-CG2 4.39Å; W220-I224 HydrophobicContact CE3-CG2 4.04Å; W220-I224 HydrophobicContact CG-CG2 4.36Å; V221-I224 HydrophobicContact CG2-CG2 3.93Å; V221-I224 WeakPolarHBondContact O-CG2 3.49Å; V221-I224 PolarHBondContact O-N 3.47Å; V221-I224 VanDerWaalsContact O-N 3.15Å; T222-I224 VanDerWaalsContact C-N 3.34Å; T222-I224 PolarHBondContact O-N 3.47Å; I224-D226 VanDerWaalsContact C-N 3.28Å; I224-D226 PolarHBondContact O-N 2.87Å; I224-Q227 WeakPolarHBondContact O-CB 3.42Å; I224-Q227 PolarHBondContact O-N 3.11Å; I224-Q227 VanDerWaalsContact O-N 3.11Å; I224-F228 HydrophobicContact CD1-CE2 4.2Å; I224-F228 HydrophobicContact CG1-CD2 4.36Å; I224-F228 HydrophobicContact CG1-CE2 3.97Å; I224-F228 VanDerWaalsContact O-CD2 3.26Å; I224-F228 WeakPolarHBondContact O-CD2 3.42Å; I224-F228 PolarHBondContact O-N 2.88Å; I224-V235 HydrophobicContact CG1-CG1 4.5Å; I224-Y238 HydrophobicContact CB-CE1 4.32Å; I224-Y238 HydrophobicContact CG1-CD1 4.45Å; I224-V239 HydrophobicContact CD1-CG1 4.29Å; I224-Y244 HydrophobicContact CB-CE2 4.27Å; I224-Y244 HydrophobicContact CD1-CE2 3.97Å; I224-Y244 HydrophobicContact CG1-CE2 4.36Å
225A97.8Very high96.9Very high25 Ų2557.3 Ų57.321%0.20732%0.317CS..Hα-helixtrans-58.1-40.9174.700000111.9W220 V221 T222 Q227 F228 Q229W220-A225 HydrophobicContact CB-CB 3.77Å; V221-A225 WeakPolarHBondContact O-CB 3.36Å; V221-A225 PolarHBondContact O-N 3.48Å; T222-A225 WeakPolarHBondContact O-CB 3.43Å; T222-A225 PolarHBondContact O-N 3.24Å; T222-A225 VanDerWaalsContact O-N 3.13Å; A225-Q227 VanDerWaalsContact C-N 3.28Å; A225-Q227 PolarHBondContact O-N 3.4Å; A225-F228 WeakPolarHBondContact O-CB 3.5Å; A225-F228 PolarHBondContact O-N 3.29Å; A225-Q229 PolarHBondContact O-N 3.17Å
226D97.9Very high97Very high86 Ų8657.2 Ų57.246%0.4632%0.316SS..Hα-helixtrans-62.3-36.5176.9-66.7-18.1000111.4T222 I224 F228 Q229T222-D226 VanDerWaalsContact O-CG 3.22Å; T222-D226 PolarHBondContact O-N 3.45Å; I224-D226 VanDerWaalsContact C-N 3.28Å; I224-D226 PolarHBondContact O-N 2.87Å; D226-F228 PolarHBondContact O-N 3.44Å; D226-Q229 WeakPolarHBondContact O-CB 3.23Å; D226-Q229 PolarHBondContact O-N 3.47Å
227Q98Very high97Very high40 Ų4058.8 Ų58.819%0.18732%0.323CS..Hα-helixtrans-69-34.5176.8-52.1-46.8-52.100112.3P223 I224 A225 Q229 L230 G231 V235 Y238P223-Q227 WeakPolarHBondContact O-CG 3.49Å; P223-Q227 PolarHBondContact O-NE2 3.03Å; I224-Q227 WeakPolarHBondContact O-CB 3.42Å; I224-Q227 PolarHBondContact O-N 3.11Å; I224-Q227 VanDerWaalsContact O-N 3.11Å; A225-Q227 VanDerWaalsContact C-N 3.28Å; A225-Q227 PolarHBondContact O-N 3.4Å; Q227-Q229 PolarHBondContact O-N 2.89Å; Q227-L230 PolarHBondContact O-N 3.15Å; Q227-G231 PolarHBondContact O-N 3.24Å; Q227-G231 VanDerWaalsContact O-N 3.12Å; Q227-V235 HydrophobicContact CB-CB 4.48Å; Q227-V235 HydrophobicContact CB-CG2 3.85Å; Q227-Y238 HydrophobicContact CG-CD1 3.47Å; Q227-Y238 VanDerWaalsContact CG-CD1 3.47Å; Q227-Y238 HydrophobicContact CG-CD2 4.4Å; Q227-Y238 HydrophobicContact CG-CE1 4.14Å; Q227-Y238 HydrophobicContact CG-CG 3.62Å
228F96.9Very high97.1Very high45 Ų4554.1 Ų54.120%0.19730%0.295CS..Hα-helixtrans-61.2-31.9174.3-80.5-69.7000112.4L197 F213 A215 W220 I224 A225 D226 L230 G231 V235L197-F228 HydrophobicContact CD1-CZ 4.1Å; F213-F228 AromaticContact CE1-CE1 3.78Å; F213-F228 HydrophobicContact CE1-CE1 3.78Å; F213-F228 HydrophobicContact CE1-CZ 4.13Å; A215-F228 HydrophobicContact CB-CE1 3.63Å; A215-F228 HydrophobicContact CB-CZ 3.69Å; W220-F228 AromaticContact CD1-CD2 3.68Å; W220-F228 AromaticContact CD1-CE2 3.72Å; W220-F228 HydrophobicContact CD2-CD2 4.25Å; W220-F228 AromaticContact CD2-CE2 3.59Å; W220-F228 HydrophobicContact CD2-CE2 3.59Å; W220-F228 HydrophobicContact CD2-CZ 4.37Å; W220-F228 AromaticContact CE2-CE2 3.41Å; W220-F228 VanDerWaalsContact CE2-CE2 3.41Å; W220-F228 AromaticContact CE2-CZ 3.78Å; W220-F228 HydrophobicContact CE3-CE2 4.21Å; W220-F228 HydrophobicContact CG-CD2 4Å; W220-F228 AromaticContact CG-CE2 3.84Å; W220-F228 HydrophobicContact CG-CE2 3.84Å; W220-F228 AromaticContact CZ2-CE2 4Å; W220-F228 HydrophobicContact CZ2-CE2 4Å; W220-F228 AromaticContact CZ2-CZ 3.93Å; W220-F228 HydrophobicContact CZ2-CZ 3.93Å; W220-F228 AromaticContact NE1-CD2 3.76Å; W220-F228 AromaticContact NE1-CE2 3.43Å; W220-F228 AromaticContact NE1-CZ 3.89Å; I224-F228 HydrophobicContact CD1-CE2 4.2Å; I224-F228 HydrophobicContact CG1-CD2 4.36Å; I224-F228 HydrophobicContact CG1-CE2 3.97Å; I224-F228 VanDerWaalsContact O-CD2 3.26Å; I224-F228 WeakPolarHBondContact O-CD2 3.42Å; I224-F228 PolarHBondContact O-N 2.88Å; A225-F228 WeakPolarHBondContact O-CB 3.5Å; A225-F228 PolarHBondContact O-N 3.29Å; D226-F228 PolarHBondContact O-N 3.44Å; F228-L230 VanDerWaalsContact C-N 3.29Å; F228-L230 PolarHBondContact O-N 2.97Å; F228-G231 PolarHBondContact O-N 2.97Å; F228-V235 HydrophobicContact CB-CG2 4.37Å; F228-V235 HydrophobicContact CD1-CG2 3.57Å; F228-V235 HydrophobicContact CD2-CG2 4.23Å; F228-V235 HydrophobicContact CE1-CG1 4.16Å; F228-V235 HydrophobicContact CE1-CG2 3.8Å; F228-V235 HydrophobicContact CE2-CG1 4.44Å; F228-V235 HydrophobicContact CE2-CG2 4.44Å; F228-V235 HydrophobicContact CG-CG2 3.79Å; F228-V235 HydrophobicContact CZ-CG1 4.02Å; F228-V235 HydrophobicContact CZ-CG2 4.25Å
229Q96.4Very high97.1Very high164 Ų16453.2 Ų53.277%0.76629%0.291SS*.Hα-helixtrans-67.8-29.8174.7-57.5-58.9-32.600112.6A225 D226 Q227 G231A225-Q229 PolarHBondContact O-N 3.17Å; D226-Q229 WeakPolarHBondContact O-CB 3.23Å; D226-Q229 PolarHBondContact O-N 3.47Å; Q227-Q229 PolarHBondContact O-N 2.89Å; Q229-G231 VanDerWaalsContact C-N 3.35Å
230L96.6Very high97.2Very high104 Ų10455.4 Ų55.455%0.54529%0.291SS..Hα-helixtrans-83.8-12.6177.1-55.3178.6000112.8Q227 F228 H234Q227-L230 PolarHBondContact O-N 3.15Å; F228-L230 VanDerWaalsContact C-N 3.29Å; F228-L230 PolarHBondContact O-N 2.97Å; L230-H234 HydrophobicContact CB-CB 3.79Å; L230-H234 WeakPolarHBondContact CB-ND1 3.28Å; L230-H234 HydrophobicContact CD1-CB 4.48Å; L230-H234 PolarHBondContact O-ND1 3.13Å
231G95.1Very high97.2Very high28 Ų2855.3 Ų55.329%0.28930%0.296SS..  trans106.7168.7176.500000114.4Q227 F228 Q229 S233 H234 V235Q227-G231 PolarHBondContact O-N 3.24Å; Q227-G231 VanDerWaalsContact O-N 3.12Å; F228-G231 PolarHBondContact O-N 2.97Å; Q229-G231 VanDerWaalsContact C-N 3.35Å; G231-S233 VanDerWaalsContact C-N 3.31Å; G231-S233 PolarHBondContact O-N 2.92Å; G231-H234 PolarHBondContact O-N 3Å; G231-H234 VanDerWaalsContact O-N 3.14Å; G231-V235 PolarHBondContact O-N 3.15Å
232V95.1Very high97.2Very high49 Ų4959.8 Ų59.830%0.29731%0.314SS..Hα-helixtrans-58-39.3-171174.10000112.8T207 F213 H234 V235 F236T207-V232 HydrophobicContact CG2-CG1 4.16Å; F213-V232 HydrophobicContact CB-CG1 3.94Å; F213-V232 HydrophobicContact CD1-CG1 3.84Å; F213-V232 HydrophobicContact CD1-CG2 4.2Å; F213-V232 HydrophobicContact CG-CG1 4.35Å; V232-H234 VanDerWaalsContact C-N 3.33Å; V232-H234 PolarHBondContact O-N 2.84Å; V232-V235 WeakPolarHBondContact O-CB 2.97Å; V232-V235 PolarHBondContact O-N 3.36Å; V232-V235 VanDerWaalsContact O-N 3.17Å; V232-F236 HydrophobicContact CG1-CD2 3.79Å; V232-F236 HydrophobicContact CG1-CE2 3.9Å; V232-F236 WeakPolarHBondContact O-CD2 3.45Å; V232-F236 PolarHBondContact O-N 2.96Å
233S95.7Very high97.2Very high58 Ų5860 Ų6041%0.40632%0.315SS..Hα-helixtrans-59.5-42.5178.8-53.80000112.6G231 V235 F236 E237G231-S233 VanDerWaalsContact C-N 3.31Å; G231-S233 PolarHBondContact O-N 2.92Å; S233-V235 VanDerWaalsContact C-N 3.34Å; S233-V235 PolarHBondContact O-N 3.26Å; S233-F236 PolarHBondContact O-N 3.04Å; S233-E237 WeakPolarHBondContact O-CG 3.22Å; S233-E237 PolarHBondContact O-N 3Å
234H97.4Very high97.3Very high80 Ų8057.8 Ų57.837%0.3730%0.301SS..Hα-helixtrans-65.1-38176.8-68.193.6000111.9L230 G231 V232 F236 E237 Y238L230-H234 HydrophobicContact CB-CB 3.79Å; L230-H234 WeakPolarHBondContact CB-ND1 3.28Å; L230-H234 HydrophobicContact CD1-CB 4.48Å; L230-H234 PolarHBondContact O-ND1 3.13Å; G231-H234 PolarHBondContact O-N 3Å; G231-H234 VanDerWaalsContact O-N 3.14Å; V232-H234 VanDerWaalsContact C-N 3.33Å; V232-H234 PolarHBondContact O-N 2.84Å; H234-F236 VanDerWaalsContact C-N 3.33Å; H234-F236 PolarHBondContact O-N 3.02Å; H234-E237 PolarHBondContact O-N 3.05Å; H234-Y238 VanDerWaalsContact O-CB 3.22Å; H234-Y238 WeakPolarHBondContact O-CB 3.28Å; H234-Y238 PolarHBondContact O-N 2.78Å
235V97.6Very high97.3Very high0 Ų061.8 Ų61.80%032%0.318CS..Hα-helixtrans-58.8-47.3173.1178.60000110.2L197 F213 I224 Q227 F228 G231 V232 S233 Y238 V239L197-V235 HydrophobicContact CD1-CG1 3.99Å; F213-V235 HydrophobicContact CE1-CG1 4.48Å; I224-V235 HydrophobicContact CG1-CG1 4.5Å; Q227-V235 HydrophobicContact CB-CB 4.48Å; Q227-V235 HydrophobicContact CB-CG2 3.85Å; F228-V235 HydrophobicContact CB-CG2 4.37Å; F228-V235 HydrophobicContact CD1-CG2 3.57Å; F228-V235 HydrophobicContact CD2-CG2 4.23Å; F228-V235 HydrophobicContact CE1-CG1 4.16Å; F228-V235 HydrophobicContact CE1-CG2 3.8Å; F228-V235 HydrophobicContact CE2-CG1 4.44Å; F228-V235 HydrophobicContact CE2-CG2 4.44Å; F228-V235 HydrophobicContact CG-CG2 3.79Å; F228-V235 HydrophobicContact CZ-CG1 4.02Å; F228-V235 HydrophobicContact CZ-CG2 4.25Å; G231-V235 PolarHBondContact O-N 3.15Å; V232-V235 WeakPolarHBondContact O-CB 2.97Å; V232-V235 PolarHBondContact O-N 3.36Å; V232-V235 VanDerWaalsContact O-N 3.17Å; S233-V235 VanDerWaalsContact C-N 3.34Å; S233-V235 PolarHBondContact O-N 3.26Å; V235-Y238 PolarHBondContact O-N 2.92Å; V235-V239 HydrophobicContact CG1-CG1 4.38Å; V235-V239 WeakPolarHBondContact O-CG1 3.35Å; V235-V239 WeakPolarHBondContact O-CG2 3.48Å; V235-V239 PolarHBondContact O-N 3.09Å
236F97.6Very high97.3Very high0 Ų068.4 Ų68.40%034%0.339CS..Hα-helixtrans-68.8-36.8-179.1-88.1-96.8000113.4L201 L206 T207 F213 V232 S233 H234 V239 R240L201-F236 HydrophobicContact CD2-CZ 4.26Å; L201-F236 HydrophobicContact CG-CE1 4.25Å; L201-F236 HydrophobicContact CG-CZ 4.15Å; L201-F236 WeakPolarHBondContact O-CE1 3.25Å; L206-F236 HydrophobicContact CB-CE1 4.12Å; L206-F236 HydrophobicContact CB-CE2 4.13Å; L206-F236 HydrophobicContact CB-CZ 3.62Å; L206-F236 HydrophobicContact CD1-CE1 4.44Å; L206-F236 HydrophobicContact CD1-CZ 3.82Å; L206-F236 HydrophobicContact CG-CZ 4.19Å; T207-F236 HydrophobicContact CG2-CB 3.65Å; T207-F236 HydrophobicContact CG2-CD1 4.44Å; T207-F236 HydrophobicContact CG2-CD2 3.77Å; T207-F236 HydrophobicContact CG2-CG 3.68Å; F213-F236 HydrophobicContact CB-CE2 4.35Å; F213-F236 AromaticContact CD1-CE2 3.74Å; F213-F236 HydrophobicContact CD1-CE2 3.74Å; F213-F236 HydrophobicContact CE1-CE2 4.04Å; F213-F236 AromaticContact CG-CE2 3.95Å; F213-F236 HydrophobicContact CG-CE2 3.95Å; F213-F236 HydrophobicContact CG-CZ 4.45Å; V232-F236 HydrophobicContact CG1-CD2 3.79Å; V232-F236 HydrophobicContact CG1-CE2 3.9Å; V232-F236 WeakPolarHBondContact O-CD2 3.45Å; V232-F236 PolarHBondContact O-N 2.96Å; S233-F236 PolarHBondContact O-N 3.04Å; H234-F236 VanDerWaalsContact C-N 3.33Å; H234-F236 PolarHBondContact O-N 3.02Å; F236-V239 WeakPolarHBondContact O-CG2 3.24Å; F236-R240 WeakPolarHBondContact O-CD 3.49Å; F236-R240 VanDerWaalsContact O-CG 3.24Å; F236-R240 WeakPolarHBondContact O-CG 3.44Å; F236-R240 PolarHBondContact O-N 2.86Å
237E97.5Very high97.3Very high123 Ų12366.3 Ų66.358%0.57533%0.328SS*.Hα-helixtrans-63.6-44170.9-73.4176.1-174.200111.3S233 H234 R240 S241S233-E237 WeakPolarHBondContact O-CG 3.22Å; S233-E237 PolarHBondContact O-N 3Å; H234-E237 PolarHBondContact O-N 3.05Å; E237-R240 PolarHBondContact O-N 2.82Å; E237-S241 PolarHBondContact O-N 3.05Å
238Y98.2Very high97.3Very high37 Ų3766.4 Ų66.415%0.14533%0.327CS..Hα-helixtrans-65-47.3179.8-174.2-125.4000112P223 I224 Q227 H234 V235 R240 S241 Y244P223-Y238 HydrophobicContact CB-CE1 4.29Å; P223-Y238 VanDerWaalsContact CB-OH 3.25Å; P223-Y238 WeakPolarHBondContact CB-OH 3.3Å; P223-Y238 WeakPolarHBondContact O-CE1 3.39Å; I224-Y238 HydrophobicContact CB-CE1 4.32Å; I224-Y238 HydrophobicContact CG1-CD1 4.45Å; Q227-Y238 HydrophobicContact CG-CD1 3.47Å; Q227-Y238 VanDerWaalsContact CG-CD1 3.47Å; Q227-Y238 HydrophobicContact CG-CD2 4.4Å; Q227-Y238 HydrophobicContact CG-CE1 4.14Å; Q227-Y238 HydrophobicContact CG-CG 3.62Å; H234-Y238 VanDerWaalsContact O-CB 3.22Å; H234-Y238 WeakPolarHBondContact O-CB 3.28Å; H234-Y238 PolarHBondContact O-N 2.78Å; V235-Y238 PolarHBondContact O-N 2.92Å; Y238-R240 PolarHBondContact O-N 3.14Å; Y238-S241 VanDerWaalsContact O-CB 3.28Å; Y238-S241 WeakPolarHBondContact O-CB 3.28Å; Y238-S241 PolarHBondContact O-N 2.88Å; Y238-S241 PolarHBondContact O-OG 3.15Å; Y238-Y244 AromaticContact CD1-CD2 3.6Å; Y238-Y244 HydrophobicContact CD1-CD2 3.6Å; Y238-Y244 HydrophobicContact CD1-CE2 4.22Å; Y238-Y244 HydrophobicContact CD1-CG 4.21Å; Y238-Y244 AromaticContact CE1-CD2 3.27Å; Y238-Y244 HydrophobicContact CE1-CD2 3.27Å; Y238-Y244 AromaticContact CE1-CE2 3.94Å; Y238-Y244 HydrophobicContact CE1-CE2 3.94Å; Y238-Y244 HydrophobicContact CE1-CG 4.16Å; Y238-Y244 HydrophobicContact CG-CD2 4.43Å; Y238-Y244 AromaticContact CZ-CD2 3.82Å; Y238-Y244 WeakPolarHBondContact O-CB 3.2Å
239V97.9Very high97.3Very high1 Ų165.5 Ų65.51%0.00633%0.33CS..Hα-helixtrans-63.3-24.6179.9-60.90000113.5L197 I224 V235 F236 Y244L197-V239 HydrophobicContact CB-CG1 4.33Å; L197-V239 HydrophobicContact CD1-CG1 4.47Å; I224-V239 HydrophobicContact CD1-CG1 4.29Å; V235-V239 HydrophobicContact CG1-CG1 4.38Å; V235-V239 WeakPolarHBondContact O-CG1 3.35Å; V235-V239 WeakPolarHBondContact O-CG2 3.48Å; V235-V239 PolarHBondContact O-N 3.09Å; F236-V239 WeakPolarHBondContact O-CG2 3.24Å; V239-Y244 VanDerWaalsContact CA-CD1 3.4Å; V239-Y244 HydrophobicContact CB-CD1 3.91Å; V239-Y244 HydrophobicContact CB-CE1 3.9Å; V239-Y244 HydrophobicContact CG1-CD1 4.09Å; V239-Y244 HydrophobicContact CG1-CE1 3.71Å; V239-Y244 HydrophobicContact CG1-CE2 4.45Å
240R97.9Very high97.3Very high105 Ų10564.8 Ų64.840%0.39632%0.32SS..Hα-helixtrans-77.7-20.9173.9-70.3174.1-168.9129.41.8113.2G202 L204 F236 E237 Y238 K245G202-R240 PolarHBondContact O-NE 3Å; G202-R240 PolarHBondContact O-NH2 3.4Å; L204-R240 PolarHBondContact O-NH2 3.21Å; F236-R240 WeakPolarHBondContact O-CD 3.49Å; F236-R240 VanDerWaalsContact O-CG 3.24Å; F236-R240 WeakPolarHBondContact O-CG 3.44Å; F236-R240 PolarHBondContact O-N 2.86Å; E237-R240 PolarHBondContact O-N 2.82Å; Y238-R240 PolarHBondContact O-N 3.14Å; R240-K245 WeakPolarHBondContact O-CE 3.35Å
241S98.3Very high97.3Very high33 Ų3361.4 Ų61.423%0.23130%0.302CS..SBendtrans-69.6148.4-175.276.40000112.9E237 Y238 T243 Y244 K245E237-S241 PolarHBondContact O-N 3.05Å; Y238-S241 VanDerWaalsContact O-CB 3.28Å; Y238-S241 WeakPolarHBondContact O-CB 3.28Å; Y238-S241 PolarHBondContact O-N 2.88Å; Y238-S241 PolarHBondContact O-OG 3.15Å; S241-T243 PolarHBondContact O-N 2.95Å; S241-Y244 PolarHBondContact O-N 3.37Å; S241-Y244 WeakPolarHBondContact OG-CB 3.45Å; S241-Y244 PolarHBondContact OG-N 3.41Å; S241-Y244 VanDerWaalsContact OG-N 3.08Å; S241-K245 WeakPolarHBondContact O-CG 3.4Å; S241-K245 PolarHBondContact O-N 3.45Å
242E97.9Very high97.2Very high134 Ų13463.6 Ų63.663%0.62631%0.305SS*.Hα-helixtrans-62-33.3173.2-65.7-53.4125.800112.1Y244 K245 Y246E242-Y244 PolarHBondContact O-N 3.33Å; E242-K245 PolarHBondContact O-N 3.05Å; E242-K245 IonicContact OE1-NZ 3.83Å; E242-K245 PolarHBondContact OE1-NZ 3.15Å; E242-Y246 PolarHBondContact O-N 2.66Å
243T97.3Very high97.2Very high101 Ų10168.5 Ų68.562%0.6233%0.325SS*.Hα-helixtrans-59-46.6174.9-54.70000111.4S241 Y246 L247S241-T243 PolarHBondContact O-N 2.95Å; T243-Y246 PolarHBondContact O-N 3.18Å; T243-L247 PolarHBondContact O-N 3.35Å
244Y98.4Very high97.1Very high0 Ų069.4 Ų69.40%034%0.336CS..Hα-helixtrans-69.2-41.2177.7-178.2-99.9000112.3L197 P199 I224 Y238 V239 S241 E242 Y246 L247 Y248L197-Y244 WeakPolarHBondContact CA-OH 3.32Å; L197-Y244 PolarHBondContact N-OH 2.96Å; L197-Y244 VanDerWaalsContact O-CE1 3.28Å; L197-Y244 WeakPolarHBondContact O-CE1 3.48Å; L197-Y244 PolarHBondContact O-OH 2.81Å; P199-Y244 HydrophobicContact CG-CD1 4.29Å; P199-Y244 HydrophobicContact CG-CE1 4.21Å; I224-Y244 HydrophobicContact CB-CE2 4.27Å; I224-Y244 HydrophobicContact CD1-CE2 3.97Å; I224-Y244 HydrophobicContact CG1-CE2 4.36Å; Y238-Y244 AromaticContact CD1-CD2 3.6Å; Y238-Y244 HydrophobicContact CD1-CD2 3.6Å; Y238-Y244 HydrophobicContact CD1-CE2 4.22Å; Y238-Y244 HydrophobicContact CD1-CG 4.21Å; Y238-Y244 AromaticContact CE1-CD2 3.27Å; Y238-Y244 HydrophobicContact CE1-CD2 3.27Å; Y238-Y244 AromaticContact CE1-CE2 3.94Å; Y238-Y244 HydrophobicContact CE1-CE2 3.94Å; Y238-Y244 HydrophobicContact CE1-CG 4.16Å; Y238-Y244 HydrophobicContact CG-CD2 4.43Å; Y238-Y244 AromaticContact CZ-CD2 3.82Å; Y238-Y244 WeakPolarHBondContact O-CB 3.2Å; V239-Y244 VanDerWaalsContact CA-CD1 3.4Å; V239-Y244 HydrophobicContact CB-CD1 3.91Å; V239-Y244 HydrophobicContact CB-CE1 3.9Å; V239-Y244 HydrophobicContact CG1-CD1 4.09Å; V239-Y244 HydrophobicContact CG1-CE1 3.71Å; V239-Y244 HydrophobicContact CG1-CE2 4.45Å; S241-Y244 PolarHBondContact O-N 3.37Å; S241-Y244 WeakPolarHBondContact OG-CB 3.45Å; S241-Y244 PolarHBondContact OG-N 3.41Å; S241-Y244 VanDerWaalsContact OG-N 3.08Å; E242-Y244 PolarHBondContact O-N 3.33Å; Y244-Y246 VanDerWaalsContact C-N 3.26Å; Y244-Y246 PolarHBondContact O-N 2.88Å; Y244-L247 HydrophobicContact CD2-CD2 4.36Å; Y244-L247 HydrophobicContact CE2-CD2 4.23Å; Y244-L247 CarbonylContact O-C 3.6Å; Y244-L247 WeakPolarHBondContact O-CB 3.35Å; Y244-L247 PolarHBondContact O-N 3.18Å; Y244-L247 VanDerWaalsContact O-N 3.12Å; Y244-Y248 HydrophobicContact CE1-CD2 4.47Å; Y244-Y248 WeakPolarHBondContact O-CB 3.23Å; Y244-Y248 PolarHBondContact O-N 3.14Å
245K98.3Very high96.8Very high84 Ų8472.1 Ų72.137%0.36535%0.353SS..Hα-helixtrans-57-42.2176.2-69.5173.9-167.6169.30111.6P199 R240 S241 E242 G249P199-K245 HydrophobicContact CB-CG 3.89Å; P199-K245 HydrophobicContact CG-CG 4.08Å; R240-K245 WeakPolarHBondContact O-CE 3.35Å; S241-K245 WeakPolarHBondContact O-CG 3.4Å; S241-K245 PolarHBondContact O-N 3.45Å; E242-K245 PolarHBondContact O-N 3.05Å; E242-K245 IonicContact OE1-NZ 3.83Å; E242-K245 PolarHBondContact OE1-NZ 3.15Å; K245-G249 PolarHBondContact O-N 2.99Å
246Y97.8Very high96.5Very high164 Ų16474.8 Ų74.864%0.64337%0.371SS*.Hα-helixtrans-63.4-46.9174.2-178.3-96000112.1E242 T243 Y244 Y248 G249 R250E242-Y246 PolarHBondContact O-N 2.66Å; T243-Y246 PolarHBondContact O-N 3.18Å; Y244-Y246 VanDerWaalsContact C-N 3.26Å; Y244-Y246 PolarHBondContact O-N 2.88Å; Y246-Y248 PolarHBondContact O-N 3.47Å; Y246-G249 PolarHBondContact O-N 2.92Å; Y246-R250 HydrophobicContact CD1-CG 4.23Å; Y246-R250 HydrophobicContact CE1-CG 3.8Å; Y246-R250 HydrophobicContact CE2-CG 4.37Å; Y246-R250 WeakPolarHBondContact O-CG 3.26Å; Y246-R250 PolarHBondContact O-N 3.2Å
247L97.6Very high96.2Very high42 Ų4283.5 Ų83.522%0.2241%0.411CS..Hα-helixtrans-58.2-48.5175.9178.1152.8000111.5V196 V221 P223 T243 Y244 G249 R250 H251V196-L247 HydrophobicContact CG1-CD2 4.32Å; V221-L247 HydrophobicContact CG2-CD2 4.46Å; P223-L247 HydrophobicContact CB-CD1 3.66Å; P223-L247 HydrophobicContact CG-CD1 3.66Å; T243-L247 PolarHBondContact O-N 3.35Å; Y244-L247 HydrophobicContact CD2-CD2 4.36Å; Y244-L247 HydrophobicContact CE2-CD2 4.23Å; Y244-L247 CarbonylContact O-C 3.6Å; Y244-L247 WeakPolarHBondContact O-CB 3.35Å; Y244-L247 PolarHBondContact O-N 3.18Å; Y244-L247 VanDerWaalsContact O-N 3.12Å; L247-G249 PolarHBondContact O-N 2.98Å; L247-R250 PolarHBondContact O-N 3.25Å; L247-H251 WeakPolarHBondContact O-CB 3.36Å; L247-H251 PolarHBondContact O-N 2.95Å
248Y97.8Very high95.9Very high42 Ų4281.1 Ų81.117%0.16541%0.406CS..Hα-helixtrans-59.5-47.3178.7178.7-93.2000111.1V196 L197 P199 Y244 Y246 R250 H251 M252V196-Y248 HydrophobicContact CB-CD2 4.09Å; V196-Y248 HydrophobicContact CB-CE2 4.45Å; V196-Y248 HydrophobicContact CG2-CD2 3.74Å; V196-Y248 HydrophobicContact CG2-CE2 3.73Å; L197-Y248 VanDerWaalsContact O-CD2 3.26Å; L197-Y248 WeakPolarHBondContact O-CD2 3.43Å; L197-Y248 WeakPolarHBondContact O-CE2 3.19Å; P199-Y248 VanDerWaalsContact CD-CD1 3.49Å; P199-Y248 HydrophobicContact CG-CD1 3.82Å; P199-Y248 HydrophobicContact CG-CE1 4.39Å; P199-Y248 HydrophobicContact CG-CG 3.9Å; Y244-Y248 HydrophobicContact CE1-CD2 4.47Å; Y244-Y248 WeakPolarHBondContact O-CB 3.23Å; Y244-Y248 PolarHBondContact O-N 3.14Å; Y246-Y248 PolarHBondContact O-N 3.47Å; Y248-R250 PolarHBondContact O-N 3.34Å; Y248-H251 PolarHBondContact O-N 2.57Å; Y248-M252 HydrophobicContact CD1-CG 4.05Å; Y248-M252 HydrophobicContact CE1-CG 3.62Å; Y248-M252 HydrophobicContact CE2-CE 4.22Å; Y248-M252 HydrophobicContact CE2-CG 4.11Å; Y248-M252 HydrophobicContact CE2-SD 4.29Å; Y248-M252 HydrophobicContact CG-CG 4.47Å; Y248-M252 WeakPolarHBondContact O-CG 3.47Å; Y248-M252 PolarHBondContact O-N 3.24Å
249G97Very high95.7Very high26 Ų2681 Ų8127%0.26841%0.411SS..Hα-helixtrans-59-44.617700000112.7K245 Y246 L247 Q253K245-G249 PolarHBondContact O-N 2.99Å; Y246-G249 PolarHBondContact O-N 2.92Å; L247-G249 PolarHBondContact O-N 2.98Å; G249-Q253 WeakPolarHBondContact O-CB 3.27Å; G249-Q253 VanDerWaalsContact O-CG 3.23Å; G249-Q253 WeakPolarHBondContact O-CG 3.47Å; G249-Q253 PolarHBondContact O-N 2.96Å
250R96.9Very high95.4Very high149 Ų14990.4 Ų90.456%0.56245%0.451SS*.Hα-helixtrans-63.8-42.1175.1-72.8-77.3-69173.7-1.6112.2Y246 L247 Y248 Q253 A254Y246-R250 HydrophobicContact CD1-CG 4.23Å; Y246-R250 HydrophobicContact CE1-CG 3.8Å; Y246-R250 HydrophobicContact CE2-CG 4.37Å; Y246-R250 WeakPolarHBondContact O-CG 3.26Å; Y246-R250 PolarHBondContact O-N 3.2Å; L247-R250 PolarHBondContact O-N 3.25Å; Y248-R250 PolarHBondContact O-N 3.34Å; R250-Q253 PolarHBondContact O-N 3.3Å; R250-A254 WeakPolarHBondContact O-CB 3.35Å; R250-A254 PolarHBondContact O-N 3.03Å
251H95.4Very high95Very high33 Ų3390.7 Ų90.715%0.15346%0.455CS..Hα-helixtrans-64.1-44178.5-171.477.1000111.7T195 V196 L247 Y248 A254 N255 P256T195-H251 PolarHBondContact OG1-NE2 3.13Å; V196-H251 VanDerWaalsContact CG2-CD2 3.5Å; V196-H251 WeakPolarHBondContact CG2-CD2 3.27Å; L247-H251 WeakPolarHBondContact O-CB 3.36Å; L247-H251 PolarHBondContact O-N 2.95Å; Y248-H251 PolarHBondContact O-N 2.57Å; H251-A254 PolarHBondContact O-N 3.03Å; H251-N255 PolarHBondContact O-N 3.13Å; H251-P256 WeakPolarHBondContact O-CD 3.47Å
252M93.6Very high93.7Very high74 Ų7494 Ų9437%0.36548%0.479SS..Hα-helixtrans-65.7-40.6175.3-68.6-63.2102.200112.3V196 Y248 A254 N255V196-M252 HydrophobicContact CG2-CE 3.65Å; Y248-M252 HydrophobicContact CD1-CG 4.05Å; Y248-M252 HydrophobicContact CE1-CG 3.62Å; Y248-M252 HydrophobicContact CE2-CE 4.22Å; Y248-M252 HydrophobicContact CE2-CG 4.11Å; Y248-M252 HydrophobicContact CE2-SD 4.29Å; Y248-M252 HydrophobicContact CG-CG 4.47Å; Y248-M252 WeakPolarHBondContact O-CG 3.47Å; Y248-M252 PolarHBondContact O-N 3.24Å; M252-A254 VanDerWaalsContact C-N 3.34Å; M252-N255 PolarHBondContact O-N 3.16Å
253Q95.1Very high92.6Very high153 Ų15390 Ų9072%0.71547%0.465SS*.Hα-helixtrans-65.7-35.7176.1-75.5171.812.200112.9G249 R250 N255G249-Q253 WeakPolarHBondContact O-CB 3.27Å; G249-Q253 VanDerWaalsContact O-CG 3.23Å; G249-Q253 WeakPolarHBondContact O-CG 3.47Å; G249-Q253 PolarHBondContact O-N 2.96Å; R250-Q253 PolarHBondContact O-N 3.3Å; Q253-N255 PolarHBondContact O-N 3.4Å
254A94.1Very high91.8Very high76 Ų7690.1 Ų90.163%0.62846%0.462SS*.Hα-helixtrans-68-20176.500000112.7R250 H251 M252R250-A254 WeakPolarHBondContact O-CB 3.35Å; R250-A254 PolarHBondContact O-N 3.03Å; H251-A254 PolarHBondContact O-N 3.03Å; M252-A254 VanDerWaalsContact C-N 3.34Å
255N91.1Very high91.1Very high137 Ų13790.9 Ų90.973%0.73347%0.465SS*.  trans43.258.3-179.7-170.643.9000112.7H251 M252 Q253H251-N255 PolarHBondContact O-N 3.13Å; M252-N255 PolarHBondContact O-N 3.16Å; Q253-N255 PolarHBondContact O-N 3.4Å
256P90.8Very high90.4Very high57 Ų5790.4 Ų90.437%0.3747%0.473SS..PPolyproline II helixtrans-61.4148.1-176.927.4-35000110.7H251H251-P256 WeakPolarHBondContact O-CD 3.47Å
257E91.5Very high89.7Confident183 Ų18392 Ų9286%0.85548%0.478SS*.PPolyproline II helixtrans-56.4132.6174-71.4-171.9171.900110.4
258P91.8Very high89.3Confident72 Ų7290.5 Ų90.547%0.46847%0.47SS..PPolyproline II helixtrans-56.8135.2178.2-28.836.4000111.8V172 R193V172-P258 HydrophobicContact CB-CB 4.31Å; V172-P258 HydrophobicContact CG1-CB 3.78Å; V172-P258 HydrophobicContact CG1-CG 4.43Å; R193-P258 VanDerWaalsContact NH2-CB 3.32Å
259P93.8Very high88.8Confident36 Ų3693.1 Ų93.123%0.23449%0.485CS..PPolyproline II helixtrans-50.5146.4175.9-26.233.4000111.1R193 T195 P219R193-P259 HydrophobicContact CB-CB 4.41Å; R193-P259 PolarHBondContact NE-O 3Å; R193-P259 PolarHBondContact NH2-O 2.88Å; T195-P259 HydrophobicContact CG2-CG 3.46Å; T195-P259 VanDerWaalsContact CG2-CG 3.46Å; P219-P259 HydrophobicContact CB-CB 4.32Å; P219-P259 HydrophobicContact CB-CG 4.26Å; P219-P259 HydrophobicContact CG-CB 3.7Å; P219-P259 HydrophobicContact CG-CG 3.54Å
260K91.6Very high88.4Confident198 Ų19892.2 Ų92.286%0.86148%0.475SS*.PPolyproline II helixtrans-61.5151-178.3-66.7-178-179.6178.20111.9S262K260-S262 PolarHBondContact O-N 3.22Å
261K89.1Confident88Confident110 Ų11089.9 Ų89.948%0.47847%0.466SS..PPolyproline II helixtrans-62.5123.3171.8-63-172-178.7-168.90109.3E149E149-K261 WeakPolarHBondContact OE1-CE 3.18Å; E149-K261 IonicContact OE1-NZ 2.79Å; E149-K261 PolarHBondContact OE1-NZ 2.87Å
262S71Confident87.6Confident104 Ų10493.8 Ų93.873%0.72748%0.483SS*.  trans-95.2-21.6-177.957.40000112.9K260K260-S262 PolarHBondContact O-N 3.22Å
263S74.6Confident86.9Confident49 Ų4996 Ų9634%0.34350%0.503SS..SBendtrans-100.1121.4-177.760.90000111.6K265S263-K265 PolarHBondContact O-N 3.34Å; S263-K265 VanDerWaalsContact O-N 3.07Å; S263-K265 VanDerWaalsContact OG-CE 3.29Å; S263-K265 WeakPolarHBondContact OG-CE 3.49Å
264D81.1Confident86.1Confident104 Ų10491.5 Ų91.556%0.55648%0.483SS*.  trans-79.587.6171.4179.413.8000110.5S266D264-S266 VanDerWaalsContact CG-OG 3.3Å; D264-S266 PolarHBondContact O-N 2.66Å; D264-S266 WeakPolarHBondContact OD1-CB 3.34Å; D264-S266 PolarHBondContact OD1-N 3.08Å; D264-S266 PolarHBondContact OD1-OG 3.34Å; D264-S266 PolarHBondContact OD2-OG 3.06Å
265K84.4Confident85Confident15 Ų1592.4 Ų92.47%0.06549%0.491CS..G310 helixtrans-74.2-6.1177.7-67.1-179.9-176158.90113.5N146 D147 D168 N169 D170 S263 R267 K268 R271N146-K265 VanDerWaalsContact O-CE 3.27Å; N146-K265 WeakPolarHBondContact O-CE 3.45Å; N146-K265 PolarHBondContact O-NZ 3.21Å; D147-K265 WeakPolarHBondContact OD1-CD 3.18Å; D168-K265 PolarHBondContact O-NZ 2.83Å; N169-K265 PolarHBondContact O-NZ 3.08Å; D170-K265 IonicContact OD1-NZ 3.17Å; D170-K265 IonicContact OD2-NZ 2.69Å; D170-K265 PolarHBondContact OD2-NZ 3.4Å; S263-K265 PolarHBondContact O-N 3.34Å; S263-K265 VanDerWaalsContact O-N 3.07Å; S263-K265 VanDerWaalsContact OG-CE 3.29Å; S263-K265 WeakPolarHBondContact OG-CE 3.49Å; K265-R267 PolarHBondContact O-N 3.47Å; K265-K268 HydrophobicContact CB-CD 3.86Å; K265-K268 HydrophobicContact CB-CG 4.35Å; K265-K268 HydrophobicContact CG-CD 4.07Å; K265-K268 WeakPolarHBondContact O-CB 3.21Å; K265-K268 WeakPolarHBondContact O-CG 3.24Å; K265-K268 PolarHBondContact O-N 3.06Å; K265-R271 WeakPolarHBondContact O-CD 3.23Å; K265-R271 PolarHBondContact O-NH1 3.35Å; K265-R271 VanDerWaalsContact O-NH1 3.14Å
266S82.5Confident82.9Confident75 Ų7590.1 Ų90.152%0.52449%0.491SS..G310 helixtrans-62.7-25.6178.175.50000112.7D264D264-S266 VanDerWaalsContact CG-OG 3.3Å; D264-S266 PolarHBondContact O-N 2.66Å; D264-S266 WeakPolarHBondContact OD1-CB 3.34Å; D264-S266 PolarHBondContact OD1-N 3.08Å; D264-S266 PolarHBondContact OD1-OG 3.34Å; D264-S266 PolarHBondContact OD2-OG 3.06Å
267R83.7Confident81Confident196 Ų19695.1 Ų95.174%0.7451%0.507SS*.G310 helixtrans-86.5-2.3-177.6-59.9-178.567.1177.40.2114.1K265 I269K265-R267 PolarHBondContact O-N 3.47Å; R267-I269 PolarHBondContact O-N 3.23Å
268K88.8Confident78.3Confident12 Ų1294.2 Ų94.25%0.05251%0.508CS..  trans-56.2138.2179.2-74.4178.563159.20111.1N119 D145 K265 S270 R271 K272N119-K268 PolarHBondContact O-NZ 3.49Å; D145-K268 PolarHBondContact O-NZ 3.04Å; D145-K268 VanDerWaalsContact OD1-CE 3.22Å; D145-K268 WeakPolarHBondContact OD1-CE 3.28Å; D145-K268 IonicContact OD1-NZ 2.68Å; D145-K268 PolarHBondContact OD1-NZ 3.31Å; K265-K268 HydrophobicContact CB-CD 3.86Å; K265-K268 HydrophobicContact CB-CG 4.35Å; K265-K268 HydrophobicContact CG-CD 4.07Å; K265-K268 WeakPolarHBondContact O-CB 3.21Å; K265-K268 WeakPolarHBondContact O-CG 3.24Å; K265-K268 PolarHBondContact O-N 3.06Å; K268-S270 WeakPolarHBondContact CB-OG 3.43Å; K268-S270 WeakPolarHBondContact CE-OG 3.37Å; K268-S270 PolarHBondContact O-N 3.49Å; K268-R271 HydrophobicContact CB-CG 4.35Å; K268-R271 PolarHBondContact O-N 3.35Å; K268-K272 PolarHBondContact O-N 2.97Å
269I87.3Confident75.7Confident97 Ų97103.8 Ų103.850%0.49754%0.542SS..G310 helixtrans-59.9-31.7176.7-63.3171.1000110.2R97 Y118 R267 R271 K272R97-I269 PolarHBondContact NH2-O 2.76Å; R97-I269 VanDerWaalsContact NH2-O 3.07Å; Y118-I269 HydrophobicContact CE1-CB 4.29Å; Y118-I269 PolarHBondContact OH-N 2.98Å; R267-I269 PolarHBondContact O-N 3.23Å; I269-R271 PolarHBondContact O-N 3.12Å; I269-K272 PolarHBondContact O-N 2.98Å
270S88.5Confident74.8Confident6 Ų6107.2 Ų107.24%0.04256%0.557CS.*G310 helixtrans-64.2-17.5177.362.30000114.3N96 N120 K268N96-S270 WeakPolarHBondContact O-CB 3.47Å; N120-S270 PolarHBondContact ND2-O 3.36Å; N120-S270 WeakPolarHBondContact OD1-CB 3.37Å; N120-S270 PolarHBondContact OD1-OG 3.33Å; K268-S270 WeakPolarHBondContact CB-OG 3.43Å; K268-S270 WeakPolarHBondContact CE-OG 3.37Å; K268-S270 PolarHBondContact O-N 3.49Å
271R88.4Confident73.9Confident101 Ų101102.4 Ų102.438%0.38154%0.541SS..G310 helixtrans-106.3-12.5179.7-63.4-174.1-178.4175.5-3.4113.8N120 D147 K265 K268 I269N120-R271 WeakPolarHBondContact OD1-CG 3.47Å; D147-R271 IonicContact OD1-CZ 2.66Å; D147-R271 IonicContact OD1-NH2 3.93Å; D147-R271 PolarHBondContact OD1-NH2 3.21Å; D147-R271 IonicContact OD2-CZ 3.34Å; D147-R271 IonicContact OD2-NH2 2.97Å; D147-R271 PolarHBondContact OD2-NH2 3.29Å; K265-R271 WeakPolarHBondContact O-CD 3.23Å; K265-R271 PolarHBondContact O-NH1 3.35Å; K265-R271 VanDerWaalsContact O-NH1 3.14Å; K268-R271 HydrophobicContact CB-CG 4.35Å; K268-R271 PolarHBondContact O-N 3.35Å; I269-R271 PolarHBondContact O-N 3.12Å
272K86.3Confident73.1Confident115 Ų115101.9 Ų101.950%0.555%0.545SS..SBendtrans-65.1133.6177.6-71-175.8179-179.40109.3R97 K268 I269 L274R97-K272 VanDerWaalsContact CZ-O 3.23Å; R97-K272 PolarHBondContact NH1-O 2.94Å; R97-K272 PolarHBondContact NH2-O 2.94Å; K268-K272 PolarHBondContact O-N 2.97Å; I269-K272 PolarHBondContact O-N 2.98Å; K272-L274 PolarHBondContact O-N 3.4Å
273P80.2Confident73.2Confident121 Ų121101.8 Ų101.879%0.78653%0.534SS*.PPolyproline II helixtrans-50140.6175-24.932.4000110.9A275P273-A275 PolarHBondContact O-N 3.31Å
274L78.4Confident73.1Confident57 Ų57105.1 Ų105.130%0.29855%0.546SS..PPolyproline II helixtrans-60131.8167.7-66174.6000107.5T53 Q74 E76 R97 K272 A276T53-L274 HydrophobicContact CG2-CD1 3.92Å; Q74-L274 HydrophobicContact CB-CD2 3.98Å; Q74-L274 HydrophobicContact CG-CD2 4.17Å; E76-L274 WeakPolarHBondContact OE1-CD1 3.42Å; R97-L274 VanDerWaalsContact CZ-CD2 3.44Å; K272-L274 PolarHBondContact O-N 3.4Å; L274-A276 PolarHBondContact O-N 2.98Å
275A70Confident72.6Confident96 Ų96105.2 Ų105.279%0.79355%0.545SS*.PPolyproline II helixtrans-53.8122.2171.100000107.2P273 K277P273-A275 PolarHBondContact O-N 3.31Å; A275-K277 PolarHBondContact O-N 3.43Å; A275-K277 VanDerWaalsContact O-N 3.16Å
276A47.9Very low71.7Confident89 Ų89111.6 Ų111.674%0.73658%0.579SS**PPolyproline II helixtrans-50.2127.2-178.300000108.7L274 N278L274-A276 PolarHBondContact O-N 2.98Å; A276-N278 PolarHBondContact O-N 2.72Å
277K50.1Low70.9Confident162 Ų162114.5 Ų114.570%0.70458%0.584SS**  trans-57.8110.7169.5-72.8-179.3178.5176.80105.9A275 K279A275-K277 PolarHBondContact O-N 3.43Å; A275-K277 VanDerWaalsContact O-N 3.16Å; K277-K279 VanDerWaalsContact C-N 3.32Å; K277-K279 PolarHBondContact O-N 3.49Å
278N35.5Very low69.8Low163 Ų163107.7 Ų107.787%0.87257%0.571SS**  trans-55.2107.3160.5-75.1-17.4000105.3A276A276-N278 PolarHBondContact O-N 2.72Å
279K36.7Very low68.1Low273 Ų273116.4 Ų116.4100%1.18762%0.618SS**  trans-64.40176.1-81.2-177.2173.7179.90110K277K277-K279 VanDerWaalsContact C-N 3.32Å; K277-K279 PolarHBondContact O-N 3.49Å

Retrieved 279 of 279 residues in 575.1 ms (Link to these results)

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