A0A087XQ02_POEFO Loading...

DNA polymerase epsilon subunit

Accessory component of the DNA polymerase epsilon complex. Participates in DNA repair and in chromosomal DNA replication.

AlphaFold DB , UniProt , Accession A0A087XQ02, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 534 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M52.1Low75.2Confident215 Ų215102.2 Ų102.2100%1.05950%0.498SS*.  0-43.30-80-169.7-111.600113.1R5M1-R5 PolarHBondContact O-N 3.36Å
2D64.8Low75.9Confident122 Ų12296.8 Ų96.865%0.65248%0.478SS*.Hα-helixtrans-68.7-32.8178.9-85.1-29.9000114.7K6D2-K6 WeakPolarHBondContact O-CG 3.3Å; D2-K6 PolarHBondContact O-N 3.04Å; D2-K6 VanDerWaalsContact O-N 3.13Å
3V69.5Low76.6Confident101 Ų10193.3 Ų93.361%0.61247%0.474SS*.Hα-helixtrans-67.4-53.4179.7-178.20000111R5 K6 I7V3-R5 VanDerWaalsContact C-N 3.26Å; V3-R5 PolarHBondContact O-N 2.66Å; V3-K6 WeakPolarHBondContact O-CB 3.24Å; V3-K6 PolarHBondContact O-N 3.13Å; V3-I7 HydrophobicContact CG1-CD1 3.88Å; V3-I7 HydrophobicContact CG1-CG1 4.42Å; V3-I7 WeakPolarHBondContact O-CG1 3.47Å; V3-I7 PolarHBondContact O-N 3.22Å
4S71.6Confident77.1Confident39 Ų3987.7 Ų87.727%0.27345%0.451SS..Hα-helixtrans-52.7-40.5175.3-163.60000113.2I7 K8 V31 E35S4-I7 PolarHBondContact O-N 2.89Å; S4-K8 VanDerWaalsContact O-CB 3.29Å; S4-K8 WeakPolarHBondContact O-CB 3.29Å; S4-K8 PolarHBondContact O-N 3.47Å; S4-V31 VanDerWaalsContact OG-CG1 3.24Å; S4-V31 WeakPolarHBondContact OG-CG1 3.01Å; S4-E35 WeakPolarHBondContact CB-OE1 3.41Å; S4-E35 PolarHBondContact OG-OE1 3.46Å
5R76.8Confident77.6Confident186 Ų18681.9 Ų81.970%0.70242%0.421SS*.Hα-helixtrans-69.5-37.2178.1-166.6176.9-177.6175.40.7112.7M1 V3 T9M1-R5 PolarHBondContact O-N 3.36Å; V3-R5 VanDerWaalsContact C-N 3.26Å; V3-R5 PolarHBondContact O-N 2.66Å; R5-T9 PolarHBondContact O-N 3.42Å; R5-T9 VanDerWaalsContact O-N 3.15Å; R5-T9 PolarHBondContact O-OG1 2.89Å
6K78.4Confident78Confident152 Ų15286 Ų8666%0.66144%0.435SS*.Hα-helixtrans-66.5-46173.6-74.2177.3-179.1-177.90111.2D2 V3 T9 K10D2-K6 WeakPolarHBondContact O-CG 3.3Å; D2-K6 PolarHBondContact O-N 3.04Å; D2-K6 VanDerWaalsContact O-N 3.13Å; V3-K6 WeakPolarHBondContact O-CB 3.24Å; V3-K6 PolarHBondContact O-N 3.13Å; K6-T9 PolarHBondContact O-N 3.46Å; K6-K10 PolarHBondContact O-N 3.05Å
7I81.4Confident78.3Confident10 Ų1090.8 Ų90.85%0.05146%0.458CS..Hα-helixtrans-59.5-49.7176.6-64173000110.2V3 S4 T9 K10 V11 V31 L34 E35 L42V3-I7 HydrophobicContact CG1-CD1 3.88Å; V3-I7 HydrophobicContact CG1-CG1 4.42Å; V3-I7 WeakPolarHBondContact O-CG1 3.47Å; V3-I7 PolarHBondContact O-N 3.22Å; S4-I7 PolarHBondContact O-N 2.89Å; I7-T9 VanDerWaalsContact C-N 3.27Å; I7-T9 PolarHBondContact O-N 3.28Å; I7-K10 PolarHBondContact O-N 3.22Å; I7-K10 VanDerWaalsContact O-N 3.12Å; I7-V11 HydrophobicContact CG2-CG2 4.1Å; I7-V11 WeakPolarHBondContact O-CG2 3.35Å; I7-V11 PolarHBondContact O-N 2.93Å; I7-V31 HydrophobicContact CG2-CG1 4.45Å; I7-V31 HydrophobicContact CG2-CG2 4.3Å; I7-L34 HydrophobicContact CG2-CB 3.96Å; I7-L34 HydrophobicContact CG2-CD1 4.15Å; I7-E35 HydrophobicContact CD1-CG 4.16Å; I7-L42 HydrophobicContact CD1-CD1 3.87Å; I7-L42 HydrophobicContact CG1-CD1 3.87Å
8K83.1Confident78.2Confident111 Ų11191.2 Ų91.248%0.48345%0.453SS..Hα-helixtrans-56.4-40.2178.1-174.2174.3-177.51740113.1S4 S12 V31S4-K8 VanDerWaalsContact O-CB 3.29Å; S4-K8 WeakPolarHBondContact O-CB 3.29Å; S4-K8 PolarHBondContact O-N 3.47Å; K8-S12 VanDerWaalsContact O-CB 3.25Å; K8-S12 WeakPolarHBondContact O-CB 3.4Å; K8-S12 PolarHBondContact O-N 3Å; K8-S12 PolarHBondContact O-OG 3.15Å; K8-V31 HydrophobicContact CB-CG2 3.87Å; K8-V31 HydrophobicContact CG-CG2 4.3Å
9T83.1Confident78.4Confident92 Ų9288.7 Ų88.756%0.56445%0.453SS*.Hα-helixtrans-68.4-43.1179-51.90000110.9R5 K6 I7 A13R5-T9 PolarHBondContact O-N 3.42Å; R5-T9 VanDerWaalsContact O-N 3.15Å; R5-T9 PolarHBondContact O-OG1 2.89Å; K6-T9 PolarHBondContact O-N 3.46Å; I7-T9 VanDerWaalsContact C-N 3.27Å; I7-T9 PolarHBondContact O-N 3.28Å; T9-A13 WeakPolarHBondContact O-CB 3.14Å; T9-A13 PolarHBondContact O-N 3.24Å
10K83.2Confident78.7Confident96 Ų9684.8 Ų84.842%0.41743%0.433SS..Hα-helixtrans-61.9-51.5175-80.2-169.1165.6-160.40112.2K6 I7 S12 A13 G14 L42 D43K6-K10 PolarHBondContact O-N 3.05Å; I7-K10 PolarHBondContact O-N 3.22Å; I7-K10 VanDerWaalsContact O-N 3.12Å; K10-S12 PolarHBondContact O-N 3.23Å; K10-A13 WeakPolarHBondContact O-CB 3.49Å; K10-A13 PolarHBondContact O-N 3.26Å; K10-A13 VanDerWaalsContact O-N 3.13Å; K10-G14 PolarHBondContact O-N 3.05Å; K10-L42 HydrophobicContact CD-CD2 4.15Å; K10-D43 VanDerWaalsContact NZ-CG 3.27Å; K10-D43 IonicContact NZ-OD1 2.69Å; K10-D43 PolarHBondContact NZ-OD1 3.33Å; K10-D43 IonicContact NZ-OD2 2.72Å; K10-D43 PolarHBondContact NZ-OD2 3.48Å
11V83.6Confident79Confident0 Ų085 Ų850%044%0.435CS..Hα-helixtrans-58.1-48.8178.4173.60000110.3I7 A13 G14 F15 L22 L30 L34 V46I7-V11 HydrophobicContact CG2-CG2 4.1Å; I7-V11 WeakPolarHBondContact O-CG2 3.35Å; I7-V11 PolarHBondContact O-N 2.93Å; V11-A13 VanDerWaalsContact C-N 3.26Å; V11-A13 PolarHBondContact O-N 3Å; V11-G14 PolarHBondContact O-N 3.06Å; V11-F15 HydrophobicContact CG1-CD2 3.88Å; V11-F15 HydrophobicContact CG1-CE2 3.9Å; V11-F15 VanDerWaalsContact O-CD2 3.3Å; V11-F15 WeakPolarHBondContact O-CD2 3.47Å; V11-F15 PolarHBondContact O-N 3.45Å; V11-L22 HydrophobicContact CG1-CD1 3.6Å; V11-L30 HydrophobicContact CG1-CD1 4.17Å; V11-L30 HydrophobicContact CG1-CD2 4.11Å; V11-L30 HydrophobicContact CG2-CD2 4.2Å; V11-L34 HydrophobicContact CG2-CD1 3.56Å; V11-V46 HydrophobicContact CG2-CG2 4.15Å
12S83.6Confident80.6Confident38 Ų3876 Ų7627%0.26639%0.391SS..Hα-helixtrans-62.4-33.7178.8-59.10000112.8K8 K10 K16K8-S12 VanDerWaalsContact O-CB 3.25Å; K8-S12 WeakPolarHBondContact O-CB 3.4Å; K8-S12 PolarHBondContact O-N 3Å; K8-S12 PolarHBondContact O-OG 3.15Å; K10-S12 PolarHBondContact O-N 3.23Å; S12-K16 WeakPolarHBondContact O-CB 3.42Å; S12-K16 WeakPolarHBondContact O-CG 3.35Å; S12-K16 PolarHBondContact O-N 2.74Å
13A84.4Confident81.7Confident51 Ų5175.4 Ų75.442%0.42138%0.379SS..Hα-helixtrans-70.4-45.6175.400000111.5T9 K10 V11 F15 K16 M17T9-A13 WeakPolarHBondContact O-CB 3.14Å; T9-A13 PolarHBondContact O-N 3.24Å; K10-A13 WeakPolarHBondContact O-CB 3.49Å; K10-A13 PolarHBondContact O-N 3.26Å; K10-A13 VanDerWaalsContact O-N 3.13Å; V11-A13 VanDerWaalsContact C-N 3.26Å; V11-A13 PolarHBondContact O-N 3Å; A13-F15 PolarHBondContact O-N 3.31Å; A13-K16 PolarHBondContact O-N 3.34Å; A13-M17 VanDerWaalsContact O-CG 3.26Å; A13-M17 WeakPolarHBondContact O-CG 3.23Å; A13-M17 PolarHBondContact O-N 3.13Å
14G83.1Confident82.4Confident15 Ų1576 Ų7616%0.15539%0.385CS..Hα-helixtrans-58.7-48178.200000112.8K10 V11 K16 M17 R18K10-G14 PolarHBondContact O-N 3.05Å; V11-G14 PolarHBondContact O-N 3.06Å; G14-K16 PolarHBondContact O-N 3.05Å; G14-M17 PolarHBondContact O-N 3.39Å; G14-R18 PolarHBondContact O-N 3.02Å
15F84.6Confident83.1Confident1 Ų180.6 Ų80.60%0.00440%0.402CS..Hα-helixtrans-62.7-41.3176.5-82.8-100.1000112.1V11 A13 M17 R18 G19 L20 L22 L30 L50 V53 I63V11-F15 HydrophobicContact CG1-CD2 3.88Å; V11-F15 HydrophobicContact CG1-CE2 3.9Å; V11-F15 VanDerWaalsContact O-CD2 3.3Å; V11-F15 WeakPolarHBondContact O-CD2 3.47Å; V11-F15 PolarHBondContact O-N 3.45Å; A13-F15 PolarHBondContact O-N 3.31Å; F15-M17 PolarHBondContact O-N 3.12Å; F15-R18 CarbonylContact O-C 3.59Å; F15-R18 PolarHBondContact O-N 3.02Å; F15-G19 PolarHBondContact O-N 3.02Å; F15-L20 CarbonylContact C-O 3.58Å; F15-L20 HydrophobicContact CB-CB 4.32Å; F15-L20 HydrophobicContact CD1-CB 3.96Å; F15-L20 HydrophobicContact CD1-CD1 4.18Å; F15-L20 WeakPolarHBondContact O-CA 3.43Å; F15-L20 WeakPolarHBondContact O-CB 3.35Å; F15-L20 PolarHBondContact O-N 3.21Å; F15-L20 VanDerWaalsContact O-O 3.07Å; F15-L22 HydrophobicContact CB-CD1 4.17Å; F15-L22 HydrophobicContact CB-CG 4.33Å; F15-L22 HydrophobicContact CD1-CD1 3.98Å; F15-L22 HydrophobicContact CD1-CD2 4.03Å; F15-L22 HydrophobicContact CD1-CG 3.7Å; F15-L22 HydrophobicContact CD2-CD1 3.46Å; F15-L22 VanDerWaalsContact CD2-CD1 3.46Å; F15-L22 HydrophobicContact CD2-CG 4.14Å; F15-L22 HydrophobicContact CE1-CD1 4.23Å; F15-L22 HydrophobicContact CE1-CD2 3.8Å; F15-L22 HydrophobicContact CE1-CG 3.99Å; F15-L22 HydrophobicContact CE2-CD1 3.77Å; F15-L22 HydrophobicContact CE2-CG 4.41Å; F15-L22 HydrophobicContact CG-CD1 3.58Å; F15-L22 HydrophobicContact CG-CD2 4.48Å; F15-L22 HydrophobicContact CG-CG 3.78Å; F15-L22 HydrophobicContact CZ-CD1 4.14Å; F15-L22 HydrophobicContact CZ-CD2 4.06Å; F15-L22 HydrophobicContact CZ-CG 4.33Å; F15-L30 HydrophobicContact CE2-CD1 3.79Å; F15-L30 HydrophobicContact CZ-CD1 3.77Å; F15-L50 HydrophobicContact CB-CD2 4.21Å; F15-L50 HydrophobicContact CD1-CD2 3.74Å; F15-L50 HydrophobicContact CD2-CD2 3.35Å; F15-L50 HydrophobicContact CD2-CG 4.17Å; F15-L50 HydrophobicContact CE1-CD2 3.85Å; F15-L50 HydrophobicContact CE2-CD2 3.47Å; F15-L50 VanDerWaalsContact CE2-CD2 3.47Å; F15-L50 HydrophobicContact CE2-CG 3.98Å; F15-L50 HydrophobicContact CG-CD2 3.5Å; F15-L50 VanDerWaalsContact CG-CD2 3.5Å; F15-L50 HydrophobicContact CZ-CD2 3.73Å; F15-L50 HydrophobicContact CZ-CG 4.38Å; F15-V53 HydrophobicContact CE1-CB 4.37Å; F15-V53 HydrophobicContact CE1-CG1 4.14Å; F15-V53 HydrophobicContact CE1-CG2 4.17Å; F15-V53 HydrophobicContact CZ-CG2 4.19Å; F15-I63 HydrophobicContact CD1-CG1 4.34Å; F15-I63 HydrophobicContact CE1-CG1 4.37Å
16K84.8Confident83.5Confident147 Ų14771.8 Ų71.864%0.63937%0.369SS*.Hα-helixtrans-64.9-36.9176.8-78.6178.3-179.5-175.40113.1S12 A13 G14 R18 G19 L20S12-K16 WeakPolarHBondContact O-CB 3.42Å; S12-K16 WeakPolarHBondContact O-CG 3.35Å; S12-K16 PolarHBondContact O-N 2.74Å; A13-K16 PolarHBondContact O-N 3.34Å; G14-K16 PolarHBondContact O-N 3.05Å; K16-R18 PolarHBondContact O-N 2.86Å; K16-G19 PolarHBondContact O-N 3.14Å; K16-L20 PolarHBondContact N-O 3.09Å
17M83.3Confident83.8Confident168 Ų16865 Ų6583%0.82834%0.34SS*.Hα-helixtrans-62.5-30.8176.6-72.8-66.9-7000112A13 G14 F15 G19A13-M17 VanDerWaalsContact O-CG 3.26Å; A13-M17 WeakPolarHBondContact O-CG 3.23Å; A13-M17 PolarHBondContact O-N 3.13Å; G14-M17 PolarHBondContact O-N 3.39Å; F15-M17 PolarHBondContact O-N 3.12Å; M17-G19 VanDerWaalsContact C-N 3.33Å
18R76.8Confident84.1Confident97 Ų9772.8 Ų72.837%0.36637%0.369SS..THydrogen-bonded Turntrans-88.66.2173.5-58.7-62-167.21153.4113.7G14 F15 K16 L20 E47 L50 D51 E54G14-R18 PolarHBondContact O-N 3.02Å; F15-R18 CarbonylContact O-C 3.59Å; F15-R18 PolarHBondContact O-N 3.02Å; K16-R18 PolarHBondContact O-N 2.86Å; R18-L20 VanDerWaalsContact C-N 3.34Å; R18-L20 HydrophobicContact CB-CG 4.48Å; R18-E47 IonicContact CZ-OE2 3.94Å; R18-E47 IonicContact NH2-OE2 3.58Å; R18-E47 PolarHBondContact NH2-OE2 2.97Å; R18-L50 HydrophobicContact CG-CD2 4.49Å; R18-D51 IonicContact NH1-OD1 2.84Å; R18-D51 IonicContact NH2-OD1 3.08Å; R18-D51 PolarHBondContact NH2-OD1 3.26Å; R18-E54 VanDerWaalsContact CD-OE1 3.3Å; R18-E54 WeakPolarHBondContact CD-OE1 3.41Å; R18-E54 WeakPolarHBondContact CG-OE1 3.3Å; R18-E54 IonicContact CZ-OE1 4Å; R18-E54 IonicContact NE-OE1 2.61Å; R18-E54 IonicContact NH1-OE1 3.56Å; R18-E54 PolarHBondContact NH1-OE1 3.29Å; R18-E54 IonicContact NH1-OE2 3.62Å; R18-E54 PolarHBondContact NH1-OE2 2.72Å
19G80.9Confident84.3Confident44 Ų4470.7 Ų70.745%0.45436%0.359SS..THydrogen-bonded Turntrans76.315.918000000115.1F15 K16 M17F15-G19 PolarHBondContact O-N 3.02Å; K16-G19 PolarHBondContact O-N 3.14Å; M17-G19 VanDerWaalsContact C-N 3.33Å
20L85.6Confident84.3Confident11 Ų1166.4 Ų66.46%0.05833%0.332CS..  trans-104.2148.1-179.1-56.9178.4000111.5F15 K16 R18 V53 L58 I63F15-L20 CarbonylContact C-O 3.58Å; F15-L20 HydrophobicContact CB-CB 4.32Å; F15-L20 HydrophobicContact CD1-CB 3.96Å; F15-L20 HydrophobicContact CD1-CD1 4.18Å; F15-L20 WeakPolarHBondContact O-CA 3.43Å; F15-L20 WeakPolarHBondContact O-CB 3.35Å; F15-L20 PolarHBondContact O-N 3.21Å; F15-L20 VanDerWaalsContact O-O 3.07Å; K16-L20 PolarHBondContact N-O 3.09Å; R18-L20 VanDerWaalsContact C-N 3.34Å; R18-L20 HydrophobicContact CB-CG 4.48Å; L20-V53 HydrophobicContact CD1-CG1 4.12Å; L20-L58 HydrophobicContact CD1-CD1 4.36Å; L20-L58 HydrophobicContact CD2-CD1 3.87Å; L20-I63 HydrophobicContact CB-CD1 4.46Å; L20-I63 HydrophobicContact CB-CG1 4.13Å; L20-I63 HydrophobicContact CD1-CD1 4.23Å; L20-I63 HydrophobicContact CD1-CG1 4.48Å; L20-I63 HydrophobicContact CD2-CD1 4.11Å; L20-I63 HydrophobicContact CG-CD1 4.5Å
21I85.3Confident84.5Confident90 Ų9062.2 Ų62.246%0.46232%0.315SS..EExtended strand (participates in β ladder)trans-124.1117178.4-58.9172.1000109.1N61 M62 I63I21-N61 PolarHBondContact N-O 3.43Å; I21-M62 HydrophobicContact CB-SD 3.64Å; I21-M62 HydrophobicContact CD1-SD 4.17Å; I21-M62 HydrophobicContact CG1-SD 4.5Å; I21-M62 HydrophobicContact CG2-CE 4.23Å; I21-M62 HydrophobicContact CG2-SD 3.59Å; I21-M62 VanDerWaalsContact CG2-SD 3.59Å; I21-M62 CarbonylContact O-C 3.52Å; I21-M62 WeakPolarHBondContact O-CA 3.41Å; I21-I63 PolarHBondContact O-N 3.42Å
22L85.6Confident84.6Confident26 Ų2667.7 Ų67.714%0.13634%0.34CS..EExtended strand (participates in β ladder)trans-75.9134175.6-77.5162.3000111.6V11 F15 A26 L30 I63 V68V11-L22 HydrophobicContact CG1-CD1 3.6Å; F15-L22 HydrophobicContact CB-CD1 4.17Å; F15-L22 HydrophobicContact CB-CG 4.33Å; F15-L22 HydrophobicContact CD1-CD1 3.98Å; F15-L22 HydrophobicContact CD1-CD2 4.03Å; F15-L22 HydrophobicContact CD1-CG 3.7Å; F15-L22 HydrophobicContact CD2-CD1 3.46Å; F15-L22 VanDerWaalsContact CD2-CD1 3.46Å; F15-L22 HydrophobicContact CD2-CG 4.14Å; F15-L22 HydrophobicContact CE1-CD1 4.23Å; F15-L22 HydrophobicContact CE1-CD2 3.8Å; F15-L22 HydrophobicContact CE1-CG 3.99Å; F15-L22 HydrophobicContact CE2-CD1 3.77Å; F15-L22 HydrophobicContact CE2-CG 4.41Å; F15-L22 HydrophobicContact CG-CD1 3.58Å; F15-L22 HydrophobicContact CG-CD2 4.48Å; F15-L22 HydrophobicContact CG-CG 3.78Å; F15-L22 HydrophobicContact CZ-CD1 4.14Å; F15-L22 HydrophobicContact CZ-CD2 4.06Å; F15-L22 HydrophobicContact CZ-CG 4.33Å; L22-A26 HydrophobicContact CD2-CB 3.97Å; L22-L30 HydrophobicContact CD1-CD1 4.48Å; L22-L30 HydrophobicContact CD2-CD1 4.41Å; L22-I63 HydrophobicContact CD2-CB 4.07Å; L22-I63 HydrophobicContact CD2-CG2 4.04Å; L22-V68 HydrophobicContact CD2-CG2 3.78Å
23R87Confident84.5Confident108 Ų10868 Ų6841%0.40834%0.34SS..  trans-68155166.1-72-169.2-176.4-159.912.4111.2E25 A26 S27 M62 I63 E64R23-E25 VanDerWaalsContact C-N 3.27Å; R23-E25 PolarHBondContact O-N 3.4Å; R23-A26 PolarHBondContact O-N 2.92Å; R23-S27 PolarHBondContact O-N 3.03Å; R23-M62 HydrophobicContact CG-CE 4.19Å; R23-I63 WeakPolarHBondContact CG-O 3.13Å; R23-I63 PolarHBondContact N-O 3.1Å; R23-E64 IonicContact CZ-OE1 2.76Å; R23-E64 IonicContact NH2-OE1 3.37Å; R23-E64 PolarHBondContact NH2-OE1 2.85Å; R23-E64 VanDerWaalsContact NH2-OE1 3.08Å
24P84.2Confident84.5Confident113 Ų11365.6 Ų65.673%0.73432%0.321SS*.Hα-helixtrans-56.2-36.8-177.2-27.135.3000114.6R28P24-R28 PolarHBondContact O-N 2.98Å; P24-R28 VanDerWaalsContact O-N 3.09Å
25E85.4Confident84.4Confident137 Ų13769.9 Ų69.964%0.6434%0.337SS*.Hα-helixtrans-69.7-48179.2-65175.2173.200111.5R23 S27 R28 Y29R23-E25 VanDerWaalsContact C-N 3.27Å; R23-E25 PolarHBondContact O-N 3.4Å; E25-S27 VanDerWaalsContact C-N 3.31Å; E25-S27 PolarHBondContact O-N 2.76Å; E25-R28 PolarHBondContact O-N 3.42Å; E25-R28 VanDerWaalsContact O-N 3.1Å; E25-Y29 PolarHBondContact O-N 3.23Å
26A85.6Confident84.1Confident0 Ų074.9 Ų74.90%037%0.372CS..Hα-helixtrans-59.2-41.9174.600000111.9L22 R23 R28 Y29 L30 V68L22-A26 HydrophobicContact CD2-CB 3.97Å; R23-A26 PolarHBondContact O-N 2.92Å; A26-R28 VanDerWaalsContact C-N 3.32Å; A26-R28 PolarHBondContact O-N 3.29Å; A26-Y29 PolarHBondContact O-N 2.9Å; A26-L30 WeakPolarHBondContact O-CB 3.39Å; A26-L30 PolarHBondContact O-N 3.25Å; A26-V68 HydrophobicContact CB-CG2 3.89Å
27S86.1Confident83.8Confident9 Ų969.6 Ų69.66%0.06335%0.352CS..Hα-helixtrans-65.2-32.3175.71740000113.1R23 E25 V31R23-S27 PolarHBondContact O-N 3.03Å; E25-S27 VanDerWaalsContact C-N 3.31Å; E25-S27 PolarHBondContact O-N 2.76Å; S27-V31 WeakPolarHBondContact O-CG2 3.25Å; S27-V31 PolarHBondContact O-N 3.41Å
28R86.4Confident83.6Confident174 Ų17467.1 Ų67.166%0.65734%0.342SS*.Hα-helixtrans-71.3-48.3177.6-178.2-178.5-82.8147.1-7.9110.1P24 E25 A26 L30 V31 E32P24-R28 PolarHBondContact O-N 2.98Å; P24-R28 VanDerWaalsContact O-N 3.09Å; E25-R28 PolarHBondContact O-N 3.42Å; E25-R28 VanDerWaalsContact O-N 3.1Å; A26-R28 VanDerWaalsContact C-N 3.32Å; A26-R28 PolarHBondContact O-N 3.29Å; R28-L30 PolarHBondContact O-N 3.13Å; R28-V31 PolarHBondContact O-N 2.98Å; R28-E32 WeakPolarHBondContact CG-OE1 3.3Å; R28-E32 WeakPolarHBondContact O-CG 3.32Å; R28-E32 PolarHBondContact O-N 3.05Å
29Y87Confident83.5Confident67 Ų6767.8 Ų67.826%0.26336%0.361SS..Hα-helixtrans-57.2-48.3177.6176.4-99.7000112.6E25 A26 V31 E32 V33 L65 V68 E69 V72E25-Y29 PolarHBondContact O-N 3.23Å; A26-Y29 PolarHBondContact O-N 2.9Å; Y29-V31 VanDerWaalsContact C-N 3.28Å; Y29-V31 PolarHBondContact O-N 2.83Å; Y29-E32 WeakPolarHBondContact O-CB 3.48Å; Y29-E32 PolarHBondContact O-N 3.27Å; Y29-E32 VanDerWaalsContact O-N 3.13Å; Y29-V33 HydrophobicContact CD1-CG2 4.37Å; Y29-V33 HydrophobicContact CE1-CG2 3.94Å; Y29-V33 HydrophobicContact CE2-CG2 4.12Å; Y29-V33 WeakPolarHBondContact O-CG2 3.37Å; Y29-V33 PolarHBondContact O-N 2.94Å; Y29-L65 HydrophobicContact CD1-CD1 4.2Å; Y29-L65 HydrophobicContact CD2-CD1 4.49Å; Y29-L65 HydrophobicContact CG-CD1 3.84Å; Y29-V68 HydrophobicContact CD1-CG1 3.87Å; Y29-V68 HydrophobicContact CE1-CG1 4.28Å; Y29-E69 HydrophobicContact CD1-CG 4.15Å; Y29-E69 HydrophobicContact CE1-CB 4.41Å; Y29-E69 HydrophobicContact CE1-CG 3.73Å; Y29-E69 HydrophobicContact CE2-CG 4.2Å; Y29-V72 HydrophobicContact CE1-CB 4.3Å; Y29-V72 HydrophobicContact CE1-CG2 4.09Å
30L84.8Confident83.2Confident2 Ų270.4 Ų70.41%0.0137%0.373CS..Hα-helixtrans-63.2-35.2-179.2-140.3162.8000111.9V11 F15 L22 A26 R28 L34 V49 V68V11-L30 HydrophobicContact CG1-CD1 4.17Å; V11-L30 HydrophobicContact CG1-CD2 4.11Å; V11-L30 HydrophobicContact CG2-CD2 4.2Å; F15-L30 HydrophobicContact CE2-CD1 3.79Å; F15-L30 HydrophobicContact CZ-CD1 3.77Å; L22-L30 HydrophobicContact CD1-CD1 4.48Å; L22-L30 HydrophobicContact CD2-CD1 4.41Å; A26-L30 WeakPolarHBondContact O-CB 3.39Å; A26-L30 PolarHBondContact O-N 3.25Å; R28-L30 PolarHBondContact O-N 3.13Å; L30-L34 HydrophobicContact CD2-CD1 3.28Å; L30-L34 HydrophobicContact CD2-CG 3.87Å; L30-L34 WeakPolarHBondContact O-CB 3.41Å; L30-L34 VanDerWaalsContact O-CG 3.23Å; L30-L34 WeakPolarHBondContact O-CG 3.48Å; L30-L34 PolarHBondContact O-N 2.75Å; L30-V49 HydrophobicContact CD1-CG1 4.12Å; L30-V49 HydrophobicContact CD2-CG1 4.45Å; L30-V49 HydrophobicContact CG-CG1 4.49Å; L30-V68 HydrophobicContact CB-CG1 4.07Å; L30-V68 HydrophobicContact CD1-CG1 3.5Å; L30-V68 HydrophobicContact CD1-CG2 4.29Å; L30-V68 HydrophobicContact CG-CG1 3.72Å
31V86.4Confident82.8Confident8 Ų875.1 Ų75.15%0.04839%0.394CS..Hα-helixtrans-70-40175.1172.50000111.2S4 I7 K8 S27 R28 Y29 L34 E35S4-V31 VanDerWaalsContact OG-CG1 3.24Å; S4-V31 WeakPolarHBondContact OG-CG1 3.01Å; I7-V31 HydrophobicContact CG2-CG1 4.45Å; I7-V31 HydrophobicContact CG2-CG2 4.3Å; K8-V31 HydrophobicContact CB-CG2 3.87Å; K8-V31 HydrophobicContact CG-CG2 4.3Å; S27-V31 WeakPolarHBondContact O-CG2 3.25Å; S27-V31 PolarHBondContact O-N 3.41Å; R28-V31 PolarHBondContact O-N 2.98Å; Y29-V31 VanDerWaalsContact C-N 3.28Å; Y29-V31 PolarHBondContact O-N 2.83Å; V31-L34 PolarHBondContact O-N 3.13Å; V31-E35 VanDerWaalsContact O-CG 3.3Å; V31-E35 WeakPolarHBondContact O-CG 3.34Å; V31-E35 PolarHBondContact O-N 3.37Å
32E85.2Confident82.5Confident115 Ų11571.4 Ų71.454%0.53738%0.376SS..Hα-helixtrans-62.2-41.5176-73.8171.6-170.300111.9R28 Y29R28-E32 WeakPolarHBondContact CG-OE1 3.3Å; R28-E32 WeakPolarHBondContact O-CG 3.32Å; R28-E32 PolarHBondContact O-N 3.05Å; Y29-E32 WeakPolarHBondContact O-CB 3.48Å; Y29-E32 PolarHBondContact O-N 3.27Å; Y29-E32 VanDerWaalsContact O-N 3.13Å
33V83Confident82.2Confident44 Ų4474.3 Ų74.327%0.26739%0.391SS..Hα-helixtrans-68.5-40.6176.9174.30000112Y29 E35 S36 V72Y29-V33 HydrophobicContact CD1-CG2 4.37Å; Y29-V33 HydrophobicContact CE1-CG2 3.94Å; Y29-V33 HydrophobicContact CE2-CG2 4.12Å; Y29-V33 WeakPolarHBondContact O-CG2 3.37Å; Y29-V33 PolarHBondContact O-N 2.94Å; V33-E35 VanDerWaalsContact C-N 3.3Å; V33-E35 PolarHBondContact O-N 3.43Å; V33-S36 PolarHBondContact O-OG 3.3Å; V33-V72 HydrophobicContact CG1-CG1 3.81Å; V33-V72 HydrophobicContact CG2-CG1 4.33Å
34L82.8Confident81.8Confident2 Ų274.3 Ų74.31%0.0140%0.399CS..Hα-helixtrans-78.1-12.7-178.9-70175.5000113.7I7 V11 L30 V31 S36 V37 V45 V46I7-L34 HydrophobicContact CG2-CB 3.96Å; I7-L34 HydrophobicContact CG2-CD1 4.15Å; V11-L34 HydrophobicContact CG2-CD1 3.56Å; L30-L34 HydrophobicContact CD2-CD1 3.28Å; L30-L34 HydrophobicContact CD2-CG 3.87Å; L30-L34 WeakPolarHBondContact O-CB 3.41Å; L30-L34 VanDerWaalsContact O-CG 3.23Å; L30-L34 WeakPolarHBondContact O-CG 3.48Å; L30-L34 PolarHBondContact O-N 2.75Å; V31-L34 PolarHBondContact O-N 3.13Å; L34-S36 PolarHBondContact O-N 2.93Å; L34-V37 HydrophobicContact CD2-CG2 4.24Å; L34-V37 PolarHBondContact O-N 3.1Å; L34-V45 HydrophobicContact CD2-CB 4.33Å; L34-V45 HydrophobicContact CD2-CG1 3.65Å; L34-V46 HydrophobicContact CD1-CG2 3.61Å; L34-V46 HydrophobicContact CD2-CG2 4.45Å
35E82.7Confident81.6Confident104 Ų10470.6 Ų70.649%0.48637%0.374SS..THydrogen-bonded Turntrans-67.3-24.3174.2-87.2177.1-170.300112.7S4 I7 V31 V33S4-E35 WeakPolarHBondContact CB-OE1 3.41Å; S4-E35 PolarHBondContact OG-OE1 3.46Å; I7-E35 HydrophobicContact CD1-CG 4.16Å; V31-E35 VanDerWaalsContact O-CG 3.3Å; V31-E35 WeakPolarHBondContact O-CG 3.34Å; V31-E35 PolarHBondContact O-N 3.37Å; V33-E35 VanDerWaalsContact C-N 3.3Å; V33-E35 PolarHBondContact O-N 3.43Å
36S76.9Confident81.4Confident106 Ų10664.6 Ų64.674%0.74135%0.347SS*.THydrogen-bonded Turntrans-86.5-2174.952.20000114.6V33 L34V33-S36 PolarHBondContact O-OG 3.3Å; L34-S36 PolarHBondContact O-N 2.93Å
37V78.5Confident81.2Confident37 Ų3768.7 Ų68.722%0.22437%0.366CS..SBendtrans-95.9138.8-177.8-179.60000110.4L34 E41 V45L34-V37 HydrophobicContact CD2-CG2 4.24Å; L34-V37 PolarHBondContact O-N 3.1Å; V37-E41 HydrophobicContact CG1-CB 4.28Å; V37-V45 HydrophobicContact CG1-CG2 4.04Å
38D79.4Confident81Confident116 Ų11674.6 Ų74.662%0.6239%0.391SS*.  trans-62.8142.8178.4-79.7-33.7000112.5S40 E41 L42D38-S40 PolarHBondContact O-N 2.93Å; D38-E41 PolarHBondContact O-N 3.29Å; D38-L42 PolarHBondContact O-N 3.45Å
39S73.8Confident80.8Confident110 Ų11066.7 Ų66.777%0.76936%0.362SS*.THydrogen-bonded Turntrans-61.9-20.2-173640000115.3
40S75.3Confident80.6Confident99 Ų9963.5 Ų63.569%0.69235%0.349SS*.THydrogen-bonded Turntrans-80.1-27.4176.646.90000113.6D38D38-S40 PolarHBondContact O-N 2.93Å
41E78.4Confident80.3Confident110 Ų11066.4 Ų66.451%0.51437%0.365SS..THydrogen-bonded Turntrans-99.5-9.1-178-60.7-172.7170.800112.4V37 D38 D43 D44 V45V37-E41 HydrophobicContact CG1-CB 4.28Å; D38-E41 PolarHBondContact O-N 3.29Å; E41-D43 VanDerWaalsContact C-N 3.31Å; E41-D43 PolarHBondContact O-N 2.79Å; E41-D44 PolarHBondContact O-N 2.84Å; E41-D44 VanDerWaalsContact O-N 3.14Å; E41-V45 HydrophobicContact CB-CG2 4.49Å; E41-V45 WeakPolarHBondContact O-CG2 3.32Å; E41-V45 PolarHBondContact O-N 3.19Å
42L78.7Confident80Confident13 Ų1366.4 Ų66.47%0.06837%0.366CS..Hα-helixtrans-60.1-37.3-172.1-166.8137.4000113.3I7 K10 D38 V46I7-L42 HydrophobicContact CD1-CD1 3.87Å; I7-L42 HydrophobicContact CG1-CD1 3.87Å; K10-L42 HydrophobicContact CD-CD2 4.15Å; D38-L42 PolarHBondContact O-N 3.45Å; L42-V46 HydrophobicContact CD2-CG2 4.27Å; L42-V46 WeakPolarHBondContact O-CB 3.38Å; L42-V46 WeakPolarHBondContact O-CG2 3.36Å; L42-V46 PolarHBondContact O-N 2.79Å
43D78.9Confident79.9Confident86 Ų8660.9 Ų60.946%0.4634%0.34SS..Hα-helixtrans-70.7-38178.6-69.9-30.7000111.4K10 E41 V46 E47K10-D43 VanDerWaalsContact NZ-CG 3.27Å; K10-D43 IonicContact NZ-OD1 2.69Å; K10-D43 PolarHBondContact NZ-OD1 3.33Å; K10-D43 IonicContact NZ-OD2 2.72Å; K10-D43 PolarHBondContact NZ-OD2 3.48Å; E41-D43 VanDerWaalsContact C-N 3.31Å; E41-D43 PolarHBondContact O-N 2.79Å; D43-V46 PolarHBondContact O-N 3.41Å; D43-E47 PolarHBondContact O-N 3.25Å; D43-E47 VanDerWaalsContact O-N 3.1Å
44D77.5Confident79.7Confident108 Ų10861.7 Ų61.758%0.57834%0.341SS*.Hα-helixtrans-69.3-40.5176.7-68.1-21.4000112E41 E47 K48E41-D44 PolarHBondContact O-N 2.84Å; E41-D44 VanDerWaalsContact O-N 3.14Å; D44-E47 PolarHBondContact O-N 2.89Å; D44-K48 WeakPolarHBondContact O-CG 3.45Å; D44-K48 PolarHBondContact O-N 3.23Å
45V80.3Confident79.2Confident35 Ų3567.3 Ų67.321%0.21237%0.365CS..Hα-helixtrans-67.8-37.9177.2177.30000110.8L34 V37 E41 K48 V49L34-V45 HydrophobicContact CD2-CB 4.33Å; L34-V45 HydrophobicContact CD2-CG1 3.65Å; V37-V45 HydrophobicContact CG1-CG2 4.04Å; E41-V45 HydrophobicContact CB-CG2 4.49Å; E41-V45 WeakPolarHBondContact O-CG2 3.32Å; E41-V45 PolarHBondContact O-N 3.19Å; V45-K48 PolarHBondContact O-N 3.43Å; V45-V49 HydrophobicContact CG1-CG2 4.42Å; V45-V49 WeakPolarHBondContact O-CG2 3.21Å; V45-V49 PolarHBondContact O-N 3.31Å
46V82.6Confident78.9Confident12 Ų1263.4 Ų63.47%0.07335%0.347CS..Hα-helixtrans-63.6-43.41751690000111.4V11 L34 L42 D43 V49 L50V11-V46 HydrophobicContact CG2-CG2 4.15Å; L34-V46 HydrophobicContact CD1-CG2 3.61Å; L34-V46 HydrophobicContact CD2-CG2 4.45Å; L42-V46 HydrophobicContact CD2-CG2 4.27Å; L42-V46 WeakPolarHBondContact O-CB 3.38Å; L42-V46 WeakPolarHBondContact O-CG2 3.36Å; L42-V46 PolarHBondContact O-N 2.79Å; D43-V46 PolarHBondContact O-N 3.41Å; V46-V49 PolarHBondContact O-N 2.88Å; V46-L50 HydrophobicContact CG1-CD1 3.93Å; V46-L50 WeakPolarHBondContact O-CB 3.38Å; V46-L50 VanDerWaalsContact O-CG 3.28Å; V46-L50 WeakPolarHBondContact O-CG 3.48Å; V46-L50 PolarHBondContact O-N 2.98Å
47E81.4Confident78.1Confident86 Ų8662.1 Ų62.140%0.40234%0.336SS..Hα-helixtrans-62.9-41.8173.3-81.6-71.3157.900111.8R18 D43 D44 V49 L50 D51R18-E47 IonicContact CZ-OE2 3.94Å; R18-E47 IonicContact NH2-OE2 3.58Å; R18-E47 PolarHBondContact NH2-OE2 2.97Å; D43-E47 PolarHBondContact O-N 3.25Å; D43-E47 VanDerWaalsContact O-N 3.1Å; D44-E47 PolarHBondContact O-N 2.89Å; E47-V49 PolarHBondContact O-N 3.13Å; E47-L50 WeakPolarHBondContact O-CB 3.32Å; E47-L50 PolarHBondContact O-N 2.89Å; E47-D51 WeakPolarHBondContact O-CB 3.34Å; E47-D51 PolarHBondContact O-N 3.06Å
48K80.3Confident78Confident133 Ų13362.7 Ų62.758%0.57834%0.338SS*.Hα-helixtrans-59.7-44.6175.5-75.8176.2-177.6176.50112.7D44 V45 D51 A52D44-K48 WeakPolarHBondContact O-CG 3.45Å; D44-K48 PolarHBondContact O-N 3.23Å; V45-K48 PolarHBondContact O-N 3.43Å; K48-D51 PolarHBondContact O-N 3.48Å; K48-A52 WeakPolarHBondContact O-CB 3.45Å; K48-A52 PolarHBondContact O-N 3.05Å
49V83.6Confident77.5Confident7 Ų762.6 Ų62.64%0.04235%0.346CS..Hα-helixtrans-67.3-39.4177.7174.20000110.6L30 V45 V46 E47 A52 V53 A71 V72L30-V49 HydrophobicContact CD1-CG1 4.12Å; L30-V49 HydrophobicContact CD2-CG1 4.45Å; L30-V49 HydrophobicContact CG-CG1 4.49Å; V45-V49 HydrophobicContact CG1-CG2 4.42Å; V45-V49 WeakPolarHBondContact O-CG2 3.21Å; V45-V49 PolarHBondContact O-N 3.31Å; V46-V49 PolarHBondContact O-N 2.88Å; E47-V49 PolarHBondContact O-N 3.13Å; V49-A52 PolarHBondContact O-N 2.93Å; V49-V53 HydrophobicContact CG1-CG2 4.44Å; V49-V53 VanDerWaalsContact O-CG2 3.3Å; V49-V53 WeakPolarHBondContact O-CG2 3.28Å; V49-V53 PolarHBondContact O-N 3.17Å; V49-A71 HydrophobicContact CG1-CB 4.42Å; V49-V72 HydrophobicContact CG1-CG2 4.47Å
50L83Confident77.6Confident0 Ų059.7 Ų59.70%033%0.325CS..Hα-helixtrans-60.4-47.5174-79.5166.2000111.8F15 R18 V46 E47 A52 V53 E54F15-L50 HydrophobicContact CB-CD2 4.21Å; F15-L50 HydrophobicContact CD1-CD2 3.74Å; F15-L50 HydrophobicContact CD2-CD2 3.35Å; F15-L50 HydrophobicContact CD2-CG 4.17Å; F15-L50 HydrophobicContact CE1-CD2 3.85Å; F15-L50 HydrophobicContact CE2-CD2 3.47Å; F15-L50 VanDerWaalsContact CE2-CD2 3.47Å; F15-L50 HydrophobicContact CE2-CG 3.98Å; F15-L50 HydrophobicContact CG-CD2 3.5Å; F15-L50 VanDerWaalsContact CG-CD2 3.5Å; F15-L50 HydrophobicContact CZ-CD2 3.73Å; F15-L50 HydrophobicContact CZ-CG 4.38Å; R18-L50 HydrophobicContact CG-CD2 4.49Å; V46-L50 HydrophobicContact CG1-CD1 3.93Å; V46-L50 WeakPolarHBondContact O-CB 3.38Å; V46-L50 VanDerWaalsContact O-CG 3.28Å; V46-L50 WeakPolarHBondContact O-CG 3.48Å; V46-L50 PolarHBondContact O-N 2.98Å; E47-L50 WeakPolarHBondContact O-CB 3.32Å; E47-L50 PolarHBondContact O-N 2.89Å; L50-A52 VanDerWaalsContact C-N 3.3Å; L50-A52 PolarHBondContact O-N 3.4Å; L50-V53 PolarHBondContact O-N 3.24Å; L50-E54 PolarHBondContact O-N 3.27Å
51D78.4Confident77.8Confident63 Ų6360.2 Ų60.234%0.33732%0.321SS..Hα-helixtrans-63.4-36.1176.6-78-13.2000111.8R18 E47 K48 E54 K55R18-D51 IonicContact NH1-OD1 2.84Å; R18-D51 IonicContact NH2-OD1 3.08Å; R18-D51 PolarHBondContact NH2-OD1 3.26Å; E47-D51 WeakPolarHBondContact O-CB 3.34Å; E47-D51 PolarHBondContact O-N 3.06Å; K48-D51 PolarHBondContact O-N 3.48Å; D51-E54 PolarHBondContact O-N 2.91Å; D51-K55 WeakPolarHBondContact O-CD 3.44Å; D51-K55 VanDerWaalsContact O-CG 3.22Å; D51-K55 WeakPolarHBondContact O-CG 3.35Å; D51-K55 PolarHBondContact O-N 3.07Å; D51-K55 VanDerWaalsContact O-N 3.15Å
52A79.9Confident78Confident8 Ų858.8 Ų58.87%0.06632%0.315CS..Hα-helixtrans-67.6-41.7174.500000111.9K48 V49 L50 E54 K55 Q56 A71K48-A52 WeakPolarHBondContact O-CB 3.45Å; K48-A52 PolarHBondContact O-N 3.05Å; V49-A52 PolarHBondContact O-N 2.93Å; L50-A52 VanDerWaalsContact C-N 3.3Å; L50-A52 PolarHBondContact O-N 3.4Å; A52-E54 VanDerWaalsContact C-N 3.35Å; A52-E54 PolarHBondContact O-N 2.87Å; A52-K55 WeakPolarHBondContact O-CB 3.31Å; A52-K55 PolarHBondContact O-N 3.39Å; A52-Q56 PolarHBondContact O-N 3.43Å; A52-A71 HydrophobicContact CB-CB 3.88Å
53V83.4Confident78.4Confident0 Ų058.1 Ų58.10%031%0.312CS..Hα-helixtrans-64.2-39.5174.1172.40000111.2F15 L20 V49 L50 K55 Q56 L58 I63 V67 A71F15-V53 HydrophobicContact CE1-CB 4.37Å; F15-V53 HydrophobicContact CE1-CG1 4.14Å; F15-V53 HydrophobicContact CE1-CG2 4.17Å; F15-V53 HydrophobicContact CZ-CG2 4.19Å; L20-V53 HydrophobicContact CD1-CG1 4.12Å; V49-V53 HydrophobicContact CG1-CG2 4.44Å; V49-V53 VanDerWaalsContact O-CG2 3.3Å; V49-V53 WeakPolarHBondContact O-CG2 3.28Å; V49-V53 PolarHBondContact O-N 3.17Å; L50-V53 PolarHBondContact O-N 3.24Å; V53-K55 PolarHBondContact O-N 3.48Å; V53-Q56 WeakPolarHBondContact O-CB 3.26Å; V53-Q56 PolarHBondContact O-N 3.31Å; V53-L58 HydrophobicContact CG1-CD1 4.34Å; V53-L58 HydrophobicContact CG1-CD2 4.17Å; V53-I63 HydrophobicContact CG1-CD1 3.78Å; V53-I63 HydrophobicContact CG1-CG1 4.26Å; V53-I63 HydrophobicContact CG1-CG2 4.26Å; V53-V67 HydrophobicContact CG1-CG1 4.01Å; V53-A71 HydrophobicContact CG2-CB 3.52Å
54E78.8Confident78.7Confident60 Ų6057.8 Ų57.828%0.2831%0.307SS..Hα-helixtrans-65.6-26175.6-79.2-169.7-166.100113.4R18 L50 D51 A52 Q56 K106R18-E54 VanDerWaalsContact CD-OE1 3.3Å; R18-E54 WeakPolarHBondContact CD-OE1 3.41Å; R18-E54 WeakPolarHBondContact CG-OE1 3.3Å; R18-E54 IonicContact CZ-OE1 4Å; R18-E54 IonicContact NE-OE1 2.61Å; R18-E54 IonicContact NH1-OE1 3.56Å; R18-E54 PolarHBondContact NH1-OE1 3.29Å; R18-E54 IonicContact NH1-OE2 3.62Å; R18-E54 PolarHBondContact NH1-OE2 2.72Å; L50-E54 PolarHBondContact O-N 3.27Å; D51-E54 PolarHBondContact O-N 2.91Å; A52-E54 VanDerWaalsContact C-N 3.35Å; A52-E54 PolarHBondContact O-N 2.87Å; E54-Q56 VanDerWaalsContact C-N 3.3Å; E54-K106 IonicContact OE2-NZ 3.12Å
55K72.4Confident79Confident120 Ų12055.2 Ų55.252%0.52229%0.293SS..Hα-helixtrans-78.4-13.9175.9-72.7167.3-169.7172.70113.1D51 A52 V53 M112D51-K55 WeakPolarHBondContact O-CD 3.44Å; D51-K55 VanDerWaalsContact O-CG 3.22Å; D51-K55 WeakPolarHBondContact O-CG 3.35Å; D51-K55 PolarHBondContact O-N 3.07Å; D51-K55 VanDerWaalsContact O-N 3.15Å; A52-K55 WeakPolarHBondContact O-CB 3.31Å; A52-K55 PolarHBondContact O-N 3.39Å; V53-K55 PolarHBondContact O-N 3.48Å; K55-M112 VanDerWaalsContact O-CE 3.3Å; K55-M112 WeakPolarHBondContact O-CE 3.5Å
56Q76.4Confident79.1Confident22 Ų2256.8 Ų56.810%0.10331%0.306CS..SBendtrans-87.1160.7-177.7-77.8-176.733.700113.4A52 V53 E54 L58 V67 M112A52-Q56 PolarHBondContact O-N 3.43Å; V53-Q56 WeakPolarHBondContact O-CB 3.26Å; V53-Q56 PolarHBondContact O-N 3.31Å; E54-Q56 VanDerWaalsContact C-N 3.3Å; Q56-L58 VanDerWaalsContact C-N 3.35Å; Q56-L58 PolarHBondContact O-N 3.03Å; Q56-V67 HydrophobicContact CB-CG1 4.26Å; Q56-V67 PolarHBondContact NE2-O 3.17Å; Q56-V67 VanDerWaalsContact NE2-O 3.17Å; Q56-V67 VanDerWaalsContact OE1-CA 3.25Å; Q56-V67 PolarHBondContact OE1-O 2.97Å; Q56-M112 VanDerWaalsContact C-CE 3.48Å
57P58.9Low79.1Confident79 Ų7957.3 Ų57.351%0.51331%0.309SS..  trans-77.486.3-17826.2-22.8000110.2S59 M112P57-S59 PolarHBondContact O-N 2.85Å; P57-M112 VanDerWaalsContact CA-SD 3.53Å; P57-M112 HydrophobicContact CB-CB 4.38Å; P57-M112 HydrophobicContact CB-CE 3.62Å; P57-M112 HydrophobicContact CB-CG 3.79Å; P57-M112 HydrophobicContact CB-SD 3.68Å; P57-M112 HydrophobicContact CG-CE 3.71Å; P57-M112 HydrophobicContact CG-SD 4.43Å
58L76.9Confident79.2Confident50 Ų5053.2 Ų53.226%0.26229%0.29SS..  trans-76.5114.7177.2-58.2-178000110.3L20 V53 Q56 S60 I63 V67L20-L58 HydrophobicContact CD1-CD1 4.36Å; L20-L58 HydrophobicContact CD2-CD1 3.87Å; V53-L58 HydrophobicContact CG1-CD1 4.34Å; V53-L58 HydrophobicContact CG1-CD2 4.17Å; Q56-L58 VanDerWaalsContact C-N 3.35Å; Q56-L58 PolarHBondContact O-N 3.03Å; L58-S60 VanDerWaalsContact C-N 3.29Å; L58-I63 HydrophobicContact CD1-CD1 3.72Å; L58-I63 HydrophobicContact CD2-CD1 3.46Å; L58-I63 VanDerWaalsContact CD2-CD1 3.46Å; L58-I63 HydrophobicContact CG-CD1 4.19Å; L58-V67 HydrophobicContact CD2-CG1 3.57Å; L58-V67 HydrophobicContact CD2-CG2 4.46Å
59S68.3Low79.3Confident114 Ų11450.6 Ų50.680%0.79728%0.28SS*.SBendtrans-73.6-23172.6580000112.6P57P57-S59 PolarHBondContact O-N 2.85Å
60S77.1Confident79.1Confident48 Ų4852.5 Ų52.534%0.33629%0.293SS..SBendtrans-156.4168178.676.10000111L58 M62L58-S60 VanDerWaalsContact C-N 3.29Å; S60-M62 PolarHBondContact O-N 3.24Å; S60-M62 VanDerWaalsContact O-N 3.13Å; S60-M62 WeakPolarHBondContact OG-CB 3.46Å; S60-M62 PolarHBondContact OG-N 2.93Å; S60-M62 VanDerWaalsContact OG-N 3.15Å; S60-M62 PolarHBondContact OG-O 3.43Å
61N79.8Confident79Confident110 Ų11052.5 Ų52.559%0.58829%0.293SS*.SBendtrans-69.3-4.3173.2-60.2-2.8000112.6I21I21-N61 PolarHBondContact N-O 3.43Å
62M82.5Confident79.1Confident80 Ų8050.1 Ų50.139%0.39428%0.281SS..EExtended strand (participates in β ladder)trans-93.6112.3174.7-65-71.7-68.700109.5I21 R23 S60I21-M62 HydrophobicContact CB-SD 3.64Å; I21-M62 HydrophobicContact CD1-SD 4.17Å; I21-M62 HydrophobicContact CG1-SD 4.5Å; I21-M62 HydrophobicContact CG2-CE 4.23Å; I21-M62 HydrophobicContact CG2-SD 3.59Å; I21-M62 VanDerWaalsContact CG2-SD 3.59Å; I21-M62 CarbonylContact O-C 3.52Å; I21-M62 WeakPolarHBondContact O-CA 3.41Å; R23-M62 HydrophobicContact CG-CE 4.19Å; S60-M62 PolarHBondContact O-N 3.24Å; S60-M62 VanDerWaalsContact O-N 3.13Å; S60-M62 WeakPolarHBondContact OG-CB 3.46Å; S60-M62 PolarHBondContact OG-N 2.93Å; S60-M62 VanDerWaalsContact OG-N 3.15Å; S60-M62 PolarHBondContact OG-O 3.43Å
63I85.3Confident78.9Confident0 Ų055 Ų550%030%0.302CS..EExtended strand (participates in β ladder)trans-84.7123.7-176.2-53.2-58000110.4F15 L20 I21 L22 R23 V53 L58 V67 V68F15-I63 HydrophobicContact CD1-CG1 4.34Å; F15-I63 HydrophobicContact CE1-CG1 4.37Å; L20-I63 HydrophobicContact CB-CD1 4.46Å; L20-I63 HydrophobicContact CB-CG1 4.13Å; L20-I63 HydrophobicContact CD1-CD1 4.23Å; L20-I63 HydrophobicContact CD1-CG1 4.48Å; L20-I63 HydrophobicContact CD2-CD1 4.11Å; L20-I63 HydrophobicContact CG-CD1 4.5Å; I21-I63 PolarHBondContact O-N 3.42Å; L22-I63 HydrophobicContact CD2-CB 4.07Å; L22-I63 HydrophobicContact CD2-CG2 4.04Å; R23-I63 WeakPolarHBondContact CG-O 3.13Å; R23-I63 PolarHBondContact N-O 3.1Å; V53-I63 HydrophobicContact CG1-CD1 3.78Å; V53-I63 HydrophobicContact CG1-CG1 4.26Å; V53-I63 HydrophobicContact CG1-CG2 4.26Å; L58-I63 HydrophobicContact CD1-CD1 3.72Å; L58-I63 HydrophobicContact CD2-CD1 3.46Å; L58-I63 VanDerWaalsContact CD2-CD1 3.46Å; L58-I63 HydrophobicContact CG-CD1 4.19Å; I63-V67 HydrophobicContact CG2-CB 4.05Å; I63-V67 HydrophobicContact CG2-CG1 3.98Å; I63-V68 HydrophobicContact CG2-CG2 3.59Å
64E85.9Confident78.3Confident79 Ų7957.9 Ų57.937%0.36932%0.318SS..  trans-88163.3177-59.8-169.4160.700111.8R23 S66 V67 V68R23-E64 IonicContact CZ-OE1 2.76Å; R23-E64 IonicContact NH2-OE1 3.37Å; R23-E64 PolarHBondContact NH2-OE1 2.85Å; R23-E64 VanDerWaalsContact NH2-OE1 3.08Å; E64-S66 VanDerWaalsContact C-N 3.34Å; E64-S66 PolarHBondContact O-N 2.9Å; E64-V67 PolarHBondContact O-N 3.43Å; E64-V68 PolarHBondContact O-N 2.96Å
65L84.6Confident77.9Confident53 Ų5357.1 Ų57.128%0.27732%0.319SS..Hα-helixtrans-59.6-43.3-177.117864.3000112.1Y29 V67 V68 E69Y29-L65 HydrophobicContact CD1-CD1 4.2Å; Y29-L65 HydrophobicContact CD2-CD1 4.49Å; Y29-L65 HydrophobicContact CG-CD1 3.84Å; L65-V67 VanDerWaalsContact C-N 3.25Å; L65-V67 PolarHBondContact O-N 3.03Å; L65-V68 PolarHBondContact O-N 2.96Å; L65-E69 HydrophobicContact CD1-CG 4.15Å; L65-E69 HydrophobicContact CG-CG 4.19Å; L65-E69 WeakPolarHBondContact O-CG 3.37Å; L65-E69 PolarHBondContact O-N 2.97Å
66S81.3Confident77.7Confident69 Ų6956.1 Ų56.148%0.48332%0.322SS..Hα-helixtrans-57.6-36-179.851.80000113.5E64 S70E64-S66 VanDerWaalsContact C-N 3.34Å; E64-S66 PolarHBondContact O-N 2.9Å; S66-S70 WeakPolarHBondContact O-CB 3.41Å; S66-S70 PolarHBondContact O-N 3.42Å
67V82.6Confident76.7Confident22 Ų2260.1 Ų60.113%0.13334%0.341CS..Hα-helixtrans-68-43.1177.5178.70000110.4V53 Q56 L58 I63 E64 L65 A71V53-V67 HydrophobicContact CG1-CG1 4.01Å; Q56-V67 HydrophobicContact CB-CG1 4.26Å; Q56-V67 PolarHBondContact NE2-O 3.17Å; Q56-V67 VanDerWaalsContact NE2-O 3.17Å; Q56-V67 VanDerWaalsContact OE1-CA 3.25Å; Q56-V67 PolarHBondContact OE1-O 2.97Å; L58-V67 HydrophobicContact CD2-CG1 3.57Å; L58-V67 HydrophobicContact CD2-CG2 4.46Å; I63-V67 HydrophobicContact CG2-CB 4.05Å; I63-V67 HydrophobicContact CG2-CG1 3.98Å; E64-V67 PolarHBondContact O-N 3.43Å; L65-V67 VanDerWaalsContact C-N 3.25Å; L65-V67 PolarHBondContact O-N 3.03Å; V67-A71 WeakPolarHBondContact O-CB 3.37Å; V67-A71 PolarHBondContact O-N 3.25Å
68V84.3Confident76.4Confident0 Ų059 Ų590%034%0.339CS..Hα-helixtrans-69.1-42.4177.9177.90000111.4L22 A26 Y29 L30 I63 E64 L65 S70 A71 V72L22-V68 HydrophobicContact CD2-CG2 3.78Å; A26-V68 HydrophobicContact CB-CG2 3.89Å; Y29-V68 HydrophobicContact CD1-CG1 3.87Å; Y29-V68 HydrophobicContact CE1-CG1 4.28Å; L30-V68 HydrophobicContact CB-CG1 4.07Å; L30-V68 HydrophobicContact CD1-CG1 3.5Å; L30-V68 HydrophobicContact CD1-CG2 4.29Å; L30-V68 HydrophobicContact CG-CG1 3.72Å; I63-V68 HydrophobicContact CG2-CG2 3.59Å; E64-V68 PolarHBondContact O-N 2.96Å; L65-V68 PolarHBondContact O-N 2.96Å; V68-S70 PolarHBondContact O-N 3.32Å; V68-A71 PolarHBondContact O-N 3.41Å; V68-A71 VanDerWaalsContact O-N 3.13Å; V68-V72 HydrophobicContact CG1-CG2 4.22Å; V68-V72 WeakPolarHBondContact O-CB 3.45Å; V68-V72 WeakPolarHBondContact O-CG2 3.28Å; V68-V72 PolarHBondContact O-N 2.98Å
69E82.8Confident74.8Confident79 Ų7959.8 Ų59.837%0.36936%0.358SS..Hα-helixtrans-58.7-47.3176.3-74.2175.9162.200111.2Y29 L65 A71 V72 Q73Y29-E69 HydrophobicContact CD1-CG 4.15Å; Y29-E69 HydrophobicContact CE1-CB 4.41Å; Y29-E69 HydrophobicContact CE1-CG 3.73Å; Y29-E69 HydrophobicContact CE2-CG 4.2Å; L65-E69 HydrophobicContact CD1-CG 4.15Å; L65-E69 HydrophobicContact CG-CG 4.19Å; L65-E69 WeakPolarHBondContact O-CG 3.37Å; L65-E69 PolarHBondContact O-N 2.97Å; E69-A71 VanDerWaalsContact C-N 3.3Å; E69-A71 PolarHBondContact O-N 3.49Å; E69-V72 PolarHBondContact O-N 2.93Å; E69-Q73 VanDerWaalsContact O-CB 3.31Å; E69-Q73 WeakPolarHBondContact O-CB 3.46Å; E69-Q73 PolarHBondContact O-N 2.83Å
70S78Confident73.6Confident47 Ų4761.6 Ų61.633%0.32935%0.354SS..Hα-helixtrans-61.4-38.9174.8-170.80000111.7S66 V68 Q73 D74S66-S70 WeakPolarHBondContact O-CB 3.41Å; S66-S70 PolarHBondContact O-N 3.42Å; V68-S70 PolarHBondContact O-N 3.32Å; S70-Q73 PolarHBondContact O-N 3.41Å; S70-D74 WeakPolarHBondContact O-CB 3.33Å; S70-D74 PolarHBondContact O-N 3.09Å
71A80.7Confident72.3Confident0 Ų061 Ų610%035%0.348CS..Hα-helixtrans-69.6-39.8-17800000111.7V49 A52 V53 V67 V68 E69 C75V49-A71 HydrophobicContact CG1-CB 4.42Å; A52-A71 HydrophobicContact CB-CB 3.88Å; V53-A71 HydrophobicContact CG2-CB 3.52Å; V67-A71 WeakPolarHBondContact O-CB 3.37Å; V67-A71 PolarHBondContact O-N 3.25Å; V68-A71 PolarHBondContact O-N 3.41Å; V68-A71 VanDerWaalsContact O-N 3.13Å; E69-A71 VanDerWaalsContact C-N 3.3Å; E69-A71 PolarHBondContact O-N 3.49Å; A71-C75 WeakPolarHBondContact O-CB 3.37Å; A71-C75 PolarHBondContact O-N 3.29Å; A71-C75 PolarHBondContact O-SG 3.25Å
72V82.3Confident70.7Confident12 Ų1259.4 Ų59.47%0.07334%0.342CS..Hα-helixtrans-66.4-42.6174.6169.80000110.1Y29 V33 V49 V68 E69 C75 T76Y29-V72 HydrophobicContact CE1-CB 4.3Å; Y29-V72 HydrophobicContact CE1-CG2 4.09Å; V33-V72 HydrophobicContact CG1-CG1 3.81Å; V33-V72 HydrophobicContact CG2-CG1 4.33Å; V49-V72 HydrophobicContact CG1-CG2 4.47Å; V68-V72 HydrophobicContact CG1-CG2 4.22Å; V68-V72 WeakPolarHBondContact O-CB 3.45Å; V68-V72 WeakPolarHBondContact O-CG2 3.28Å; V68-V72 PolarHBondContact O-N 2.98Å; E69-V72 PolarHBondContact O-N 2.93Å; V72-C75 PolarHBondContact O-N 3.07Å; V72-T76 PolarHBondContact O-N 2.98Å; V72-T76 PolarHBondContact O-OG1 3.46Å
73Q75.4Confident69.2Low110 Ų11061.9 Ų61.951%0.51436%0.355SS..Hα-helixtrans-63.1-44.1176.5-171.4169.10.500111.9E69 S70 C75 T76 Q77E69-Q73 VanDerWaalsContact O-CB 3.31Å; E69-Q73 WeakPolarHBondContact O-CB 3.46Å; E69-Q73 PolarHBondContact O-N 2.83Å; S70-Q73 PolarHBondContact O-N 3.41Å; Q73-C75 VanDerWaalsContact C-N 3.3Å; Q73-C75 PolarHBondContact O-N 3.1Å; Q73-T76 PolarHBondContact O-N 3.4Å; Q73-T76 VanDerWaalsContact O-N 3.13Å; Q73-Q77 HydrophobicContact CG-CG 4.31Å; Q73-Q77 WeakPolarHBondContact O-CB 3.43Å; Q73-Q77 WeakPolarHBondContact O-CG 3.41Å; Q73-Q77 PolarHBondContact O-N 3.32Å
74D70.1Confident67.6Low61 Ų6168.8 Ų68.833%0.32639%0.392SS..Hα-helixtrans-59.1-42.2174.3-70.9-21.1000111.4S70 T76 A78S70-D74 WeakPolarHBondContact O-CB 3.33Å; S70-D74 PolarHBondContact O-N 3.09Å; D74-T76 VanDerWaalsContact C-N 3.3Å; D74-T76 PolarHBondContact O-N 3.28Å; D74-A78 VanDerWaalsContact O-CB 3.28Å; D74-A78 WeakPolarHBondContact O-CB 3.32Å; D74-A78 PolarHBondContact O-N 3.33Å
75C71.2Confident66.7Low45 Ų4567.3 Ų67.330%0.30439%0.387SS..Hα-helixtrans-67.1-30.8177.3-69.90000112.7A71 V72 Q73A71-C75 WeakPolarHBondContact O-CB 3.37Å; A71-C75 PolarHBondContact O-N 3.29Å; A71-C75 PolarHBondContact O-SG 3.25Å; V72-C75 PolarHBondContact O-N 3.07Å; Q73-C75 VanDerWaalsContact C-N 3.3Å; Q73-C75 PolarHBondContact O-N 3.1Å
76T66.9Low66.6Low98 Ų9866.3 Ų66.360%0.60138%0.383SS*.Hα-helixtrans-79.4-42.8177.9-47.90000111V72 Q73 D74 G79V72-T76 PolarHBondContact O-N 2.98Å; V72-T76 PolarHBondContact O-OG1 3.46Å; Q73-T76 PolarHBondContact O-N 3.4Å; Q73-T76 VanDerWaalsContact O-N 3.13Å; D74-T76 VanDerWaalsContact C-N 3.3Å; D74-T76 PolarHBondContact O-N 3.28Å; T76-G79 PolarHBondContact O-N 2.89Å
77Q55.8Low67Low107 Ų10764 Ų6450%0.536%0.364SS..Hα-helixtrans-72-27.3179.4-71.4-176.2-7.100113.2Q73 G79 E80Q73-Q77 HydrophobicContact CG-CG 4.31Å; Q73-Q77 WeakPolarHBondContact O-CB 3.43Å; Q73-Q77 WeakPolarHBondContact O-CG 3.41Å; Q73-Q77 PolarHBondContact O-N 3.32Å; Q77-G79 PolarHBondContact O-N 3.32Å; Q77-E80 PolarHBondContact O-N 3.18Å
78A51.8Low67.5Low56 Ų5664.4 Ų64.446%0.46337%0.365SS..THydrogen-bonded Turntrans-59.4-14.1172.100000113.7D74D74-A78 VanDerWaalsContact O-CB 3.28Å; D74-A78 WeakPolarHBondContact O-CB 3.32Å; D74-A78 PolarHBondContact O-N 3.33Å
79G44.8Very low68Low65 Ų6566.2 Ų66.267%0.6738%0.375SS*.THydrogen-bonded Turntrans-88.5-17.8172.500000115.1T76 Q77T76-G79 PolarHBondContact O-N 2.89Å; Q77-G79 PolarHBondContact O-N 3.32Å
80E42.6Very low68.6Low152 Ų15262.8 Ų62.871%0.7136%0.359SS*.  trans-102.762.8-179.9-74.3-169.7159.200111.1Q77 T82Q77-E80 PolarHBondContact O-N 3.18Å; E80-T82 PolarHBondContact O-N 2.94Å
81D48.9Very low69.5Low37 Ų3760.8 Ų60.820%0.19835%0.346CS..  trans-65.588.6159-80.5-21.2000107.5S276 K278D81-S276 PolarHBondContact OD2-OG 3.22Å; D81-K278 HydrophobicContact CB-CD 4.36Å; D81-K278 PolarHBondContact O-NZ 3.19Å
82T47.8Very low70.2Confident75 Ų7560.9 Ų60.946%0.4635%0.347SS..  trans-57.8139.8171.844.10000109.3E80 D84 N85E80-T82 PolarHBondContact O-N 2.94Å; T82-D84 PolarHBondContact O-N 3.32Å; T82-N85 PolarHBondContact O-N 3.28Å
83I50.7Low70.8Confident132 Ų13262.9 Ų62.968%0.67735%0.354SS*.G310 helixtrans-58.5-16.6-178-60.3172.2000111.6N85 V86I83-N85 PolarHBondContact O-N 3.02Å; I83-V86 WeakPolarHBondContact O-CG2 3.48Å
84D50.2Low71.6Confident145 Ų14563.5 Ų63.578%0.77536%0.361SS*.G310 helixtrans-70.2-11.5179-65.3-30.7000114.6T82T82-D84 PolarHBondContact O-N 3.32Å
85N67.3Low72.8Confident49 Ų4960.9 Ų60.926%0.26235%0.347SS..G310 helixtrans-9816.2-174.8-71.3-26.3000115.2T82 I83 N88 Q413T82-N85 PolarHBondContact O-N 3.28Å; I83-N85 PolarHBondContact O-N 3.02Å; N85-N88 PolarHBondContact O-ND2 3.33Å; N85-Q413 PolarHBondContact O-OE1 3.25Å
86V83.5Confident73.8Confident32 Ų3260.7 Ų60.719%0.19435%0.346CS..SBendtrans-69.6-36-176.2177.20000113.3I83 L279 L282 Q413 Y414 C415I83-V86 WeakPolarHBondContact O-CG2 3.48Å; V86-L279 HydrophobicContact CG2-CD2 4.41Å; V86-L282 HydrophobicContact CG2-CD1 4.12Å; V86-Q413 PolarHBondContact O-NE2 3.01Å; V86-Y414 HydrophobicContact CG1-CE2 4.37Å; V86-Y414 CarbonylContact O-C 3.19Å; V86-Y414 WeakPolarHBondContact O-CA 3.18Å; V86-C415 WeakPolarHBondContact CG1-SG 3.05Å; V86-C415 PolarHBondContact O-N 3.23Å
87F90.1Very high75.1Confident21 Ų2157 Ų579%0.09232%0.321CS..EExtended strand (participates in β ladder)trans-132.8108.2-176.7-176.4179.9000111I89 F291 T321 C322 R367 I412 Q413 Y414F87-I89 HydrophobicContact CE2-CD1 4.4Å; F87-I89 HydrophobicContact CE2-CG1 3.88Å; F87-F291 HydrophobicContact CE1-CE1 4.12Å; F87-F291 HydrophobicContact CE2-CE1 4.46Å; F87-F291 AromaticContact CZ-CE1 3.93Å; F87-F291 HydrophobicContact CZ-CE1 3.93Å; F87-T321 HydrophobicContact CD1-CG2 4.29Å; F87-T321 HydrophobicContact CE1-CG2 4.37Å; F87-C322 HydrophobicContact CE1-CB 3.83Å; F87-C322 HydrophobicContact CZ-CB 3.91Å; F87-R367 VanDerWaalsContact CD1-CD 3.49Å; F87-R367 HydrophobicContact CD1-CG 4.49Å; F87-R367 HydrophobicContact CE1-CB 4.14Å; F87-R367 VanDerWaalsContact CE1-CD 3.42Å; F87-R367 HydrophobicContact CE1-CG 4.12Å; F87-I412 HydrophobicContact CD2-CG2 3.96Å; F87-I412 HydrophobicContact CE2-CG2 3.42Å; F87-I412 VanDerWaalsContact CE2-CG2 3.42Å; F87-I412 HydrophobicContact CZ-CG2 4.29Å; F87-Q413 WeakPolarHBondContact CA-O 3.4Å; F87-Y414 HydrophobicContact CB-CD2 4.14Å; F87-Y414 HydrophobicContact CD1-CD2 4.39Å; F87-Y414 HydrophobicContact CG-CD2 4.19Å
88N92.9Very high76.8Confident29 Ų2953.7 Ų53.716%0.15530%0.304CS..EExtended strand (participates in β ladder)trans-118.7143.3178.5-64.6-67.4000112.5N85 P268 I412 Q413N85-N88 PolarHBondContact O-ND2 3.33Å; N88-P268 VanDerWaalsContact CG-CD 3.47Å; N88-P268 WeakPolarHBondContact OD1-CG 3.28Å; N88-I412 WeakPolarHBondContact O-CA 3.44Å; N88-Q413 HydrophobicContact CB-CB 4.49Å; N88-Q413 PolarHBondContact N-O 3.4Å; N88-Q413 PolarHBondContact ND2-OE1 3.08Å; N88-Q413 PolarHBondContact O-N 3.16Å
89I94.7Very high78.7Confident39 Ų3951.8 Ų51.820%0.229%0.286CS..EExtended strand (participates in β ladder)trans-113.5122.5173.3-59.8157.8000107F87 V369 V404 T406 I412F87-I89 HydrophobicContact CE2-CD1 4.4Å; F87-I89 HydrophobicContact CE2-CG1 3.88Å; I89-V369 HydrophobicContact CD1-CG2 3.45Å; I89-V369 VanDerWaalsContact CD1-CG2 3.45Å; I89-V369 HydrophobicContact CG1-CG2 4.18Å; I89-V404 HydrophobicContact CD1-CB 3.8Å; I89-V404 HydrophobicContact CD1-CG1 4Å; I89-V404 HydrophobicContact CD1-CG2 3.85Å; I89-V404 HydrophobicContact CG2-CG1 4.3Å; I89-T406 HydrophobicContact CG2-CG2 4.33Å; I89-I412 HydrophobicContact CG1-CG1 4.35Å
90I96Very high81Confident7 Ų750.5 Ų50.54%0.03626%0.261CS..EExtended strand (participates in β ladder)trans-115.7118.8-172.6-55.9153.1000107.6D94 V95 F265 G266 R411 Q413I90-D94 HydrophobicContact CG2-CB 4.44Å; I90-V95 HydrophobicContact CG2-CG2 4.37Å; I90-F265 HydrophobicContact CD1-CD1 3.82Å; I90-F265 HydrophobicContact CD1-CE1 4.01Å; I90-G266 VanDerWaalsContact CD1-C 3.4Å; I90-G266 WeakPolarHBondContact CD1-O 3.49Å; I90-R411 HydrophobicContact CB-CB 4.05Å; I90-R411 HydrophobicContact CD1-CB 4.44Å; I90-R411 PolarHBondContact N-O 2.85Å; I90-R411 PolarHBondContact O-N 3.24Å; I90-Q413 HydrophobicContact CD1-CB 4.32Å
91G96.1Very high83.2Confident5 Ų544.5 Ų44.55%0.05224%0.236CC..EExtended strand (participates in β ladder)trans-70.4154.6173.600000111.5F93 D94 V95 T407G91-F93 PolarHBondContact O-N 3.15Å; G91-D94 PolarHBondContact O-N 3.13Å; G91-V95 PolarHBondContact O-N 2.83Å; G91-T407 WeakPolarHBondContact CA-OG1 3.37Å
92A95.1Very high85Confident2 Ų247.4 Ų47.42%0.01726%0.255CS..G310 helixtrans-61.7-33.117900000112.7D94 P384 T407 P409 S475A92-D94 VanDerWaalsContact C-N 3.29Å; A92-P384 HydrophobicContact CB-CB 3.41Å; A92-P384 VanDerWaalsContact CB-CB 3.41Å; A92-P384 HydrophobicContact CB-CG 3.88Å; A92-T407 HydrophobicContact CB-CG2 4.4Å; A92-T407 PolarHBondContact N-OG1 3.43Å; A92-P409 WeakPolarHBondContact CB-O 3.45Å; A92-S475 WeakPolarHBondContact O-CB 3.3Å
93F94.3Very high86.7Confident53 Ų5352.7 Ų52.723%0.23227%0.274CS..G310 helixtrans-75.5-18.5177-60.3-71.2000113G91 L120 P384 P386 T407 Y472G91-F93 PolarHBondContact O-N 3.15Å; F93-L120 HydrophobicContact CE1-CD2 3.87Å; F93-L120 HydrophobicContact CZ-CD2 4.33Å; F93-P384 HydrophobicContact CZ-CB 4.23Å; F93-P384 WeakPolarHBondContact CZ-O 3.28Å; F93-P386 HydrophobicContact CE2-CB 4.25Å; F93-T407 HydrophobicContact CD2-CG2 3.7Å; F93-T407 HydrophobicContact CE2-CG2 3.98Å; F93-Y472 AromaticContact CD1-CD1 3.77Å; F93-Y472 HydrophobicContact CD1-CD1 3.77Å; F93-Y472 HydrophobicContact CD1-CD2 4.35Å; F93-Y472 AromaticContact CD1-CE1 3.61Å; F93-Y472 HydrophobicContact CD1-CE1 3.61Å; F93-Y472 HydrophobicContact CD1-CE2 4.21Å; F93-Y472 HydrophobicContact CD1-CG 4.14Å; F93-Y472 AromaticContact CD1-CZ 3.85Å; F93-Y472 HydrophobicContact CE1-CD1 4.28Å; F93-Y472 HydrophobicContact CE1-CD2 4.2Å; F93-Y472 HydrophobicContact CE1-CE1 4.39Å; F93-Y472 HydrophobicContact CE1-CE2 4.32Å; F93-Y472 HydrophobicContact CE1-CG 4.19Å
94D94Very high88.3Confident123 Ų12354.4 Ų54.466%0.65827%0.272SS*.G310 helixtrans-94.9-2.8179.5-51.3-50.5000112.4I90 G91 A92I90-D94 HydrophobicContact CG2-CB 4.44Å; G91-D94 PolarHBondContact O-N 3.13Å; A92-D94 VanDerWaalsContact C-N 3.29Å
95V94.4Very high90.1Very high6 Ų653.4 Ų53.44%0.03626%0.261CS..SBendtrans-61.7131.2175.8172.70000109.1I90 G91 R97 R411 Y474I90-V95 HydrophobicContact CG2-CG2 4.37Å; G91-V95 PolarHBondContact O-N 2.83Å; V95-R97 PolarHBondContact O-N 2.86Å; V95-R411 VanDerWaalsContact CG1-NH1 3.27Å; V95-Y474 HydrophobicContact CB-CE2 4.11Å; V95-Y474 HydrophobicContact CG1-CD2 4.19Å; V95-Y474 HydrophobicContact CG1-CE2 3.98Å; V95-Y474 VanDerWaalsContact O-CE2 3.28Å; V95-Y474 WeakPolarHBondContact O-CE2 3.15Å; V95-Y474 PolarHBondContact O-OH 3.43Å
96P92.6Very high91.2Very high42 Ų4256.4 Ų56.427%0.27327%0.272SS..PPolyproline II helixtrans-68.5128.9179.428.3-36000110.7Y98 G266P96-Y98 HydrophobicContact CB-CD2 4.25Å; P96-Y98 HydrophobicContact CB-CE2 3.72Å; P96-Y98 HydrophobicContact CG-CD2 4.48Å; P96-Y98 HydrophobicContact CG-CE2 3.91Å; P96-G266 VanDerWaalsContact CD-CA 3.41Å
97R92.9Very high91.5Very high20 Ų2055.3 Ų55.38%0.07526%0.264CS..PPolyproline II helixtrans-86.9116.6178.7-171170.5177-165.43.8110.9V95 I110 E133 Y474V95-R97 PolarHBondContact O-N 2.86Å; R97-I110 HydrophobicContact CB-CB 4.24Å; R97-I110 HydrophobicContact CB-CG2 4.03Å; R97-I110 HydrophobicContact CG-CB 4.3Å; R97-I110 HydrophobicContact CG-CD1 4.29Å; R97-I110 PolarHBondContact O-N 3.43Å; R97-E133 IonicContact NH2-OE1 3.22Å; R97-E133 PolarHBondContact NH2-OE1 2.99Å; R97-E133 VanDerWaalsContact NH2-OE1 3.12Å; R97-Y474 HydrophobicContact CB-CD1 4.38Å; R97-Y474 HydrophobicContact CB-CD2 4.04Å; R97-Y474 HydrophobicContact CB-CE1 4.09Å; R97-Y474 HydrophobicContact CB-CE2 3.74Å; R97-Y474 HydrophobicContact CB-CG 4.36Å; R97-Y474 HydrophobicContact CG-CD1 3.83Å; R97-Y474 HydrophobicContact CG-CD2 4.07Å; R97-Y474 HydrophobicContact CG-CE1 3.95Å; R97-Y474 HydrophobicContact CG-CE2 4.19Å; R97-Y474 HydrophobicContact CG-CG 3.9Å
98Y92.3Very high91.5Very high37 Ų3755.3 Ų55.315%0.14527%0.266CS..EExtended strand (participates in β ladder)trans-113.5140.3172.1-71.3-93.6000111.2P96 F107 V108 P109 I262 N263 F264P96-Y98 HydrophobicContact CB-CD2 4.25Å; P96-Y98 HydrophobicContact CB-CE2 3.72Å; P96-Y98 HydrophobicContact CG-CD2 4.48Å; P96-Y98 HydrophobicContact CG-CE2 3.91Å; Y98-F107 HydrophobicContact CD1-CB 4.23Å; Y98-V108 WeakPolarHBondContact CA-O 3.49Å; Y98-P109 HydrophobicContact CD1-CG 4.18Å; Y98-P109 HydrophobicContact CE1-CB 4.32Å; Y98-P109 HydrophobicContact CE1-CG 3.7Å; Y98-I262 HydrophobicContact CD1-CG2 4.23Å; Y98-I262 HydrophobicContact CE1-CG2 3.53Å; Y98-I262 HydrophobicContact CE2-CG2 4.2Å; Y98-N263 WeakPolarHBondContact CE2-O 3.33Å; Y98-F264 HydrophobicContact CD2-CD1 4.06Å; Y98-F264 HydrophobicContact CD2-CE1 4.49Å; Y98-F264 HydrophobicContact CG-CD1 4.24Å; Y98-F264 HydrophobicContact CG-CE1 4.25Å
99I92.1Very high91.3Very high17 Ų1755.6 Ų55.69%0.08727%0.269CS..EExtended strand (participates in β ladder)trans-114.6131.2-179.4-55.9-174.4000108.2S101 F107 V108 I110 T113 H115I99-S101 PolarHBondContact O-N 3.28Å; I99-F107 WeakPolarHBondContact O-CA 3.47Å; I99-V108 HydrophobicContact CB-CG2 4.5Å; I99-V108 PolarHBondContact N-O 3.25Å; I99-V108 VanDerWaalsContact O-CG2 3.32Å; I99-V108 WeakPolarHBondContact O-CG2 3.5Å; I99-V108 PolarHBondContact O-N 3.17Å; I99-I110 HydrophobicContact CD1-CB 4.39Å; I99-I110 HydrophobicContact CD1-CD1 4.41Å; I99-I110 HydrophobicContact CD1-CG1 4.15Å; I99-T113 HydrophobicContact CB-CG2 4.33Å; I99-T113 HydrophobicContact CD1-CG2 4.28Å; I99-H115 HydrophobicContact CD1-CB 3.53Å; I99-H115 WeakPolarHBondContact CD1-CD2 3.47Å
100Y92.2Very high91Very high37 Ų3755.4 Ų55.415%0.14527%0.268CS..EExtended strand (participates in β ladder)trans-78.9119.2177.9-175.6-102.8000110V102 K105 F107 T136 Q140 Y259Y100-V102 HydrophobicContact CD1-CG2 4.16Å; Y100-V102 HydrophobicContact CE1-CG2 4.2Å; Y100-K105 WeakPolarHBondContact OH-CA 3.37Å; Y100-F107 HydrophobicContact CD2-CD1 4.33Å; Y100-F107 HydrophobicContact CD2-CD2 4.27Å; Y100-F107 HydrophobicContact CD2-CE1 4.17Å; Y100-F107 HydrophobicContact CD2-CE2 4.13Å; Y100-F107 HydrophobicContact CD2-CG 4.38Å; Y100-F107 HydrophobicContact CD2-CZ 4.06Å; Y100-F107 HydrophobicContact CG-CE1 4.4Å; Y100-T136 HydrophobicContact CD1-CG2 3.6Å; Y100-T136 HydrophobicContact CE1-CG2 4.31Å; Y100-T136 HydrophobicContact CG-CG2 4.41Å; Y100-Q140 HydrophobicContact CD2-CG 4.39Å; Y100-Q140 HydrophobicContact CE1-CB 3.82Å; Y100-Q140 HydrophobicContact CE1-CG 4.19Å; Y100-Q140 HydrophobicContact CE2-CB 4.21Å; Y100-Q140 HydrophobicContact CE2-CG 4.1Å; Y100-Y259 HydrophobicContact CE2-CE1 4.13Å; Y100-Y259 VanDerWaalsContact CE2-OH 3.27Å; Y100-Y259 WeakPolarHBondContact CE2-OH 3.48Å
101S89.3Confident90.4Very high26 Ų2660.1 Ų60.118%0.18230%0.302CS..EExtended strand (participates in β ladder)trans-87.7113.7171.6175.20000109.3I99 E103 R104 K105 K106I99-S101 PolarHBondContact O-N 3.28Å; S101-E103 VanDerWaalsContact C-N 3.29Å; S101-E103 PolarHBondContact O-N 3.22Å; S101-R104 PolarHBondContact O-N 3.46Å; S101-R104 PolarHBondContact OG-N 3.35Å; S101-K105 VanDerWaalsContact O-CA 3.24Å; S101-K105 WeakPolarHBondContact O-CA 3.5Å; S101-K105 PolarHBondContact O-N 3.48Å; S101-K106 PolarHBondContact N-O 3.35Å; S101-K106 PolarHBondContact O-N 3.5Å
102V85.9Confident89.8Confident98 Ų9862.9 Ų62.959%0.59431%0.314SS*.THydrogen-bonded Turntrans-63.1-37.6177.7-179.40000111.2Y100 K105 T136Y100-V102 HydrophobicContact CD1-CG2 4.16Å; Y100-V102 HydrophobicContact CE1-CG2 4.2Å; V102-K105 WeakPolarHBondContact O-CG 3.48Å; V102-T136 HydrophobicContact CG2-CG2 4.27Å
103E84.6Confident89.2Confident186 Ų18664.5 Ų64.587%0.86932%0.324SS*.THydrogen-bonded Turntrans-65.2-48.5178.4-63.6176.7-178.400111.9S101 K105S101-E103 VanDerWaalsContact C-N 3.29Å; S101-E103 PolarHBondContact O-N 3.22Å; E103-K105 VanDerWaalsContact C-N 3.34Å
104R84.5Confident88.7Confident169 Ų16968 Ų6864%0.63836%0.355SS*.THydrogen-bonded Turntrans-83.2-13.3-178.8-61-176.9179.9-169.8-0.5113.1S101 K106S101-R104 PolarHBondContact O-N 3.46Å; S101-R104 PolarHBondContact OG-N 3.35Å; R104-K106 HydrophobicContact CB-CB 4.34Å; R104-K106 PolarHBondContact O-N 2.9Å
105K87.8Confident88.2Confident123 Ų12364.8 Ų64.854%0.53534%0.336SS..THydrogen-bonded Turntrans50.432.6-169.5-58.8-178.1178.8-1800113.2Y100 S101 V102 E103Y100-K105 WeakPolarHBondContact OH-CA 3.37Å; S101-K105 VanDerWaalsContact O-CA 3.24Å; S101-K105 WeakPolarHBondContact O-CA 3.5Å; S101-K105 PolarHBondContact O-N 3.48Å; V102-K105 WeakPolarHBondContact O-CG 3.48Å; E103-K105 VanDerWaalsContact C-N 3.34Å
106K89Confident87.8Confident112 Ų11268 Ų6849%0.48736%0.357SS..EExtended strand (participates in β ladder)trans-131.8153-176.8-73.9-176.2179.5-174.40110.3E54 S101 R104E54-K106 IonicContact OE2-NZ 3.12Å; S101-K106 PolarHBondContact N-O 3.35Å; S101-K106 PolarHBondContact O-N 3.5Å; R104-K106 HydrophobicContact CB-CB 4.34Å; R104-K106 PolarHBondContact O-N 2.9Å
107F90.4Very high87.6Confident10 Ų1070.1 Ų70.14%0.04438%0.378CS..EExtended strand (participates in β ladder)trans-79.9131.6166.7-76.5-77.7000110.2Y98 I99 Y100 Y259 F264 Y479Y98-F107 HydrophobicContact CD1-CB 4.23Å; I99-F107 WeakPolarHBondContact O-CA 3.47Å; Y100-F107 HydrophobicContact CD2-CD1 4.33Å; Y100-F107 HydrophobicContact CD2-CD2 4.27Å; Y100-F107 HydrophobicContact CD2-CE1 4.17Å; Y100-F107 HydrophobicContact CD2-CE2 4.13Å; Y100-F107 HydrophobicContact CD2-CG 4.38Å; Y100-F107 HydrophobicContact CD2-CZ 4.06Å; Y100-F107 HydrophobicContact CG-CE1 4.4Å; F107-Y259 AromaticContact CD2-CD1 3.95Å; F107-Y259 HydrophobicContact CD2-CD1 3.95Å; F107-Y259 HydrophobicContact CD2-CD2 4.2Å; F107-Y259 AromaticContact CD2-CE1 3.57Å; F107-Y259 HydrophobicContact CD2-CE1 3.57Å; F107-Y259 AromaticContact CD2-CE2 3.81Å; F107-Y259 HydrophobicContact CD2-CE2 3.81Å; F107-Y259 HydrophobicContact CD2-CG 4.22Å; F107-Y259 AromaticContact CD2-CZ 3.43Å; F107-Y259 VanDerWaalsContact CD2-CZ 3.43Å; F107-Y259 HydrophobicContact CE2-CD2 4.21Å; F107-Y259 AromaticContact CE2-CE1 3.89Å; F107-Y259 HydrophobicContact CE2-CE1 3.89Å; F107-Y259 AromaticContact CE2-CE2 3.47Å; F107-Y259 HydrophobicContact CE2-CE2 3.47Å; F107-Y259 VanDerWaalsContact CE2-CE2 3.47Å; F107-Y259 AromaticContact CE2-CZ 3.22Å; F107-Y259 WeakPolarHBondContact CE2-OH 3.47Å; F107-F264 HydrophobicContact CB-CE1 3.68Å; F107-F264 HydrophobicContact CB-CZ 4.02Å; F107-F264 HydrophobicContact CD1-CE1 4.21Å; F107-F264 AromaticContact CD2-CE1 3.57Å; F107-F264 HydrophobicContact CD2-CE1 3.57Å; F107-F264 AromaticContact CD2-CZ 3.55Å; F107-F264 HydrophobicContact CD2-CZ 3.55Å; F107-F264 HydrophobicContact CE2-CE1 4.19Å; F107-F264 HydrophobicContact CE2-CZ 4.23Å; F107-F264 AromaticContact CG-CE1 3.56Å; F107-F264 HydrophobicContact CG-CE1 3.56Å; F107-F264 AromaticContact CG-CZ 3.97Å; F107-F264 HydrophobicContact CG-CZ 3.97Å; F107-Y479 AromaticContact CE2-CE1 3.88Å; F107-Y479 HydrophobicContact CE2-CE1 3.88Å; F107-Y479 HydrophobicContact CZ-CD1 4.33Å; F107-Y479 AromaticContact CZ-CE1 3.88Å; F107-Y479 HydrophobicContact CZ-CE1 3.88Å
108V89.8Confident87.4Confident21 Ų2170.7 Ų70.713%0.12738%0.384CS..EExtended strand (participates in β ladder)trans-118.6139176.4-680000109.7Y98 I99 T113Y98-V108 WeakPolarHBondContact CA-O 3.49Å; I99-V108 HydrophobicContact CB-CG2 4.5Å; I99-V108 PolarHBondContact N-O 3.25Å; I99-V108 VanDerWaalsContact O-CG2 3.32Å; I99-V108 WeakPolarHBondContact O-CG2 3.5Å; I99-V108 PolarHBondContact O-N 3.17Å; V108-T113 HydrophobicContact CB-CG2 4.41Å; V108-T113 HydrophobicContact CG2-CG2 3.45Å; V108-T113 VanDerWaalsContact CG2-CG2 3.45Å
109P89.6Confident87.2Confident35 Ų3570.5 Ų70.523%0.22739%0.393CS..EExtended strand (participates in β ladder)trans-58.3145.4173.6-21.931.3000111.2Y98 S111 M112Y98-P109 HydrophobicContact CD1-CG 4.18Å; Y98-P109 HydrophobicContact CE1-CB 4.32Å; Y98-P109 HydrophobicContact CE1-CG 3.7Å; P109-S111 PolarHBondContact O-N 3.41Å; P109-S111 VanDerWaalsContact O-N 3.15Å; P109-M112 HydrophobicContact CB-CG 4.12Å; P109-M112 HydrophobicContact CG-CE 4.07Å; P109-M112 HydrophobicContact CG-CG 4.18Å; P109-M112 HydrophobicContact CG-SD 4.26Å; P109-M112 WeakPolarHBondContact O-CB 3.3Å; P109-M112 PolarHBondContact O-N 3.2Å
110I87.9Confident87Confident34 Ų3474.3 Ų74.317%0.17441%0.413CS..G310 helixtrans-55.2-35.2-179.4-175.8161000113.3R97 I99 M112 T113 H115 P116R97-I110 HydrophobicContact CB-CB 4.24Å; R97-I110 HydrophobicContact CB-CG2 4.03Å; R97-I110 HydrophobicContact CG-CB 4.3Å; R97-I110 HydrophobicContact CG-CD1 4.29Å; R97-I110 PolarHBondContact O-N 3.43Å; I99-I110 HydrophobicContact CD1-CB 4.39Å; I99-I110 HydrophobicContact CD1-CD1 4.41Å; I99-I110 HydrophobicContact CD1-CG1 4.15Å; I110-M112 PolarHBondContact O-N 2.84Å; I110-M112 VanDerWaalsContact O-N 3.11Å; I110-T113 PolarHBondContact O-N 2.86Å; I110-T113 PolarHBondContact O-OG1 3.43Å; I110-H115 HydrophobicContact CD1-CB 4.25Å; I110-H115 HydrophobicContact CG1-CB 4.24Å; I110-P116 WeakPolarHBondContact CD1-O 3.38Å
111S84.4Confident86.8Confident106 Ų10678.7 Ų78.774%0.74145%0.448SS*.G310 helixtrans-60.2-20.2177.153.70000113.5P109P109-S111 PolarHBondContact O-N 3.41Å; P109-S111 VanDerWaalsContact O-N 3.15Å
112M81.8Confident86.7Confident63 Ų6378.4 Ų78.431%0.3145%0.45SS..G310 helixtrans-93.75177.6-46.7-156169.200113.5K55 Q56 P57 P109 I110K55-M112 VanDerWaalsContact O-CE 3.3Å; K55-M112 WeakPolarHBondContact O-CE 3.5Å; Q56-M112 VanDerWaalsContact C-CE 3.48Å; P57-M112 VanDerWaalsContact CA-SD 3.53Å; P57-M112 HydrophobicContact CB-CB 4.38Å; P57-M112 HydrophobicContact CB-CE 3.62Å; P57-M112 HydrophobicContact CB-CG 3.79Å; P57-M112 HydrophobicContact CB-SD 3.68Å; P57-M112 HydrophobicContact CG-CE 3.71Å; P57-M112 HydrophobicContact CG-SD 4.43Å; P109-M112 HydrophobicContact CB-CG 4.12Å; P109-M112 HydrophobicContact CG-CE 4.07Å; P109-M112 HydrophobicContact CG-CG 4.18Å; P109-M112 HydrophobicContact CG-SD 4.26Å; P109-M112 WeakPolarHBondContact O-CB 3.3Å; P109-M112 PolarHBondContact O-N 3.2Å; I110-M112 PolarHBondContact O-N 2.84Å; I110-M112 VanDerWaalsContact O-N 3.11Å
113T83.9Confident87Confident37 Ų3779.6 Ų79.623%0.22745%0.452CS..SBendtrans-121.6165-17572.60000111I99 V108 I110 H115I99-T113 HydrophobicContact CB-CG2 4.33Å; I99-T113 HydrophobicContact CD1-CG2 4.28Å; V108-T113 HydrophobicContact CB-CG2 4.41Å; V108-T113 HydrophobicContact CG2-CG2 3.45Å; V108-T113 VanDerWaalsContact CG2-CG2 3.45Å; I110-T113 PolarHBondContact O-N 2.86Å; I110-T113 PolarHBondContact O-OG1 3.43Å; T113-H115 PolarHBondContact O-N 3.49Å; T113-H115 WeakPolarHBondContact OG1-CB 3.22Å; T113-H115 PolarHBondContact OG1-N 2.93Å
114S83.9Confident87.4Confident126 Ų12674.9 Ų74.988%0.88144%0.444SS*.SBendtrans-79.89.9172.460.40000113.4
115H83.3Confident87.8Confident55 Ų5574.6 Ų74.626%0.25544%0.444SS..PPolyproline II helixtrans-77.7141.3-178.7-74.7-87.2000111.3I99 I110 T113I99-H115 HydrophobicContact CD1-CB 3.53Å; I99-H115 WeakPolarHBondContact CD1-CD2 3.47Å; I110-H115 HydrophobicContact CD1-CB 4.25Å; I110-H115 HydrophobicContact CG1-CB 4.24Å; T113-H115 PolarHBondContact O-N 3.49Å; T113-H115 WeakPolarHBondContact OG1-CB 3.22Å; T113-H115 PolarHBondContact OG1-N 2.93Å
116P85.8Confident88.1Confident75 Ų7569.7 Ų69.749%0.48742%0.423SS..PPolyproline II helixtrans-69.7148.3176.830-34.5000111.1I110I110-P116 WeakPolarHBondContact CD1-O 3.38Å
117A87.3Confident88.4Confident86 Ų8669 Ų6971%0.71142%0.42SS*.PPolyproline II helixtrans-57.2144.5171.800000110.9G119A117-G119 PolarHBondContact O-N 3.34Å
118P89.2Confident88.5Confident32 Ų3270.7 Ų70.721%0.20844%0.436CS..PPolyproline II helixtrans-70.6127.6-175.829.4-34.4000111.8A471 Y472 Y474P118-A471 HydrophobicContact CB-CB 3.77Å; P118-A471 WeakPolarHBondContact CB-O 3.46Å; P118-Y472 HydrophobicContact CB-CD1 4.3Å; P118-Y472 HydrophobicContact CB-CD2 4.35Å; P118-Y472 HydrophobicContact CB-CE1 3.93Å; P118-Y472 HydrophobicContact CB-CE2 3.98Å; P118-Y472 HydrophobicContact CB-CG 4.5Å; P118-Y472 HydrophobicContact CG-CE1 3.85Å; P118-Y472 PolarHBondContact O-OH 3.42Å; P118-Y474 HydrophobicContact CB-CE1 4.4Å; P118-Y474 HydrophobicContact CG-CE1 4.39Å
119G88Confident88.7Confident32 Ų3271.2 Ų71.233%0.3344%0.437SS..  trans-112.1154.117300000111.8A117 C121A117-G119 PolarHBondContact O-N 3.34Å; G119-C121 VanDerWaalsContact C-N 3.35Å
120L88.4Confident88.9Confident97 Ų9769.7 Ų69.751%0.50843%0.427SS..SBendtrans-62.8-43.4174.4-67.9174.3000111.2F93 G122 F469 Y472F93-L120 HydrophobicContact CE1-CD2 3.87Å; F93-L120 HydrophobicContact CZ-CD2 4.33Å; L120-G122 PolarHBondContact O-N 3.49Å; L120-F469 HydrophobicContact CB-CD1 4.37Å; L120-F469 HydrophobicContact CB-CE1 4.34Å; L120-F469 HydrophobicContact CD2-CD1 4.12Å; L120-F469 HydrophobicContact CD2-CD2 4.09Å; L120-F469 HydrophobicContact CD2-CE1 4.12Å; L120-F469 HydrophobicContact CD2-CE2 4.09Å; L120-F469 HydrophobicContact CD2-CG 4.11Å; L120-F469 HydrophobicContact CD2-CZ 4.11Å; L120-F469 WeakPolarHBondContact O-CD1 3.43Å; L120-Y472 HydrophobicContact CD2-CD2 4.38Å; L120-Y472 HydrophobicContact CD2-CE2 4.17Å
121C89.1Confident89.2Confident129 Ų12970.3 Ų70.387%0.87243%0.428SS*.SBendtrans-94.581.8174.1-600000109.8G119G119-C121 VanDerWaalsContact C-N 3.35Å
122G87.1Confident89.7Confident21 Ų2170.9 Ų70.922%0.21641%0.414CS..  trans-68.2162.3178.200000113.9L120 D126L120-G122 PolarHBondContact O-N 3.49Å; G122-D126 VanDerWaalsContact CA-OD2 3.25Å; G122-D126 WeakPolarHBondContact CA-OD2 3.5Å
123L91.7Very high90.3Very high123 Ų12369.1 Ų69.164%0.64441%0.405SS*.  trans-78.1163.3171.8-62174.8000110.6R125 D126L123-R125 PolarHBondContact O-N 3.29Å; L123-R125 VanDerWaalsContact O-N 3.07Å; L123-D126 PolarHBondContact N-OD2 3.22Å; L123-D126 WeakPolarHBondContact O-CB 3.49Å; L123-D126 PolarHBondContact O-N 2.75Å
124A93.2Very high90.9Very high86 Ų8668.2 Ų68.271%0.71140%0.398SS*.Hα-helixtrans-55.3-29.6174.100000112.8K127 A128A124-K127 WeakPolarHBondContact O-CB 3.4Å; A124-K127 PolarHBondContact O-N 3.08Å; A124-A128 PolarHBondContact O-N 3.11Å
125R93.2Very high91.5Very high164 Ų16462.8 Ų62.862%0.61936%0.358SS*.Hα-helixtrans-63-41173.4-175.2175.3-178.2179.5-0.4112.3L123 K127 A128 E129L123-R125 PolarHBondContact O-N 3.29Å; L123-R125 VanDerWaalsContact O-N 3.07Å; R125-K127 PolarHBondContact O-N 2.8Å; R125-A128 PolarHBondContact O-N 3.49Å; R125-E129 HydrophobicContact CG-CG 4.06Å; R125-E129 WeakPolarHBondContact O-CG 3.36Å; R125-E129 PolarHBondContact O-N 2.76Å
126D93.1Very high92.1Very high20 Ų2061.5 Ų61.511%0.10735%0.354CS..Hα-helixtrans-62.6-34.3-179.3-60-40.6000111.3G122 L123 A128 E129 L130 W470G122-D126 VanDerWaalsContact CA-OD2 3.25Å; G122-D126 WeakPolarHBondContact CA-OD2 3.5Å; L123-D126 PolarHBondContact N-OD2 3.22Å; L123-D126 WeakPolarHBondContact O-CB 3.49Å; L123-D126 PolarHBondContact O-N 2.75Å; D126-A128 VanDerWaalsContact C-N 3.34Å; D126-A128 PolarHBondContact O-N 3.03Å; D126-E129 PolarHBondContact O-N 3.13Å; D126-L130 PolarHBondContact O-N 2.95Å; D126-W470 HydrophobicContact CB-CB 3.96Å
127K94.8Very high92.5Very high98 Ų9858.5 Ų58.543%0.42633%0.334SS..Hα-helixtrans-62.1-39.9173.7-167.2-178.6178.3-177.20112.5A124 R125 L463 W470A124-K127 WeakPolarHBondContact O-CB 3.4Å; A124-K127 PolarHBondContact O-N 3.08Å; R125-K127 PolarHBondContact O-N 2.8Å; K127-L463 HydrophobicContact CD-CD1 4.5Å; K127-L463 HydrophobicContact CG-CD1 4.05Å; K127-W470 HydrophobicContact CB-CD2 3.61Å; K127-W470 HydrophobicContact CB-CE3 3.73Å; K127-W470 HydrophobicContact CB-CG 4.02Å; K127-W470 HydrophobicContact CB-CH2 4.44Å; K127-W470 HydrophobicContact CB-CZ2 4.35Å; K127-W470 HydrophobicContact CB-CZ3 4.15Å; K127-W470 HydrophobicContact CD-CH2 4.27Å; K127-W470 HydrophobicContact CD-CZ2 3.84Å; K127-W470 HydrophobicContact CG-CD2 4.02Å; K127-W470 HydrophobicContact CG-CG 4.3Å; K127-W470 HydrophobicContact CG-CZ2 4.25Å
128A93.5Very high92.9Very high45 Ų4554.5 Ų54.537%0.37230%0.3SS..Hα-helixtrans-74.6-41.7178.200000111.5A124 R125 D126 L130 F131 R132A124-A128 PolarHBondContact O-N 3.11Å; R125-A128 PolarHBondContact O-N 3.49Å; D126-A128 VanDerWaalsContact C-N 3.34Å; D126-A128 PolarHBondContact O-N 3.03Å; A128-L130 PolarHBondContact O-N 2.7Å; A128-F131 PolarHBondContact O-N 3.48Å; A128-R132 WeakPolarHBondContact O-CG 3.4Å; A128-R132 PolarHBondContact O-N 2.95Å
129E92.9Very high93.2Very high31 Ų3155 Ų5515%0.14530%0.3CS..Hα-helixtrans-62.8-31.2178.1-68.1-56.3143.400112.2R125 D126 F131 R132 E133R125-E129 HydrophobicContact CG-CG 4.06Å; R125-E129 WeakPolarHBondContact O-CG 3.36Å; R125-E129 PolarHBondContact O-N 2.76Å; D126-E129 PolarHBondContact O-N 3.13Å; E129-F131 PolarHBondContact O-N 3.45Å; E129-R132 PolarHBondContact O-N 3.31Å; E129-R132 IonicContact OE1-CZ 3.45Å; E129-R132 IonicContact OE1-NH1 2.69Å; E129-R132 PolarHBondContact OE1-NH1 2.83Å; E129-E133 WeakPolarHBondContact O-CB 3.4Å; E129-E133 WeakPolarHBondContact O-CG 3.47Å; E129-E133 PolarHBondContact O-N 3.49Å
130L94.1Very high93.4Very high3 Ų353.9 Ų53.92%0.01629%0.286CS..Hα-helixtrans-49.9-55.5172.9-178.4155.4000112.4D126 A128 R134 L463 D473D126-L130 PolarHBondContact O-N 2.95Å; A128-L130 PolarHBondContact O-N 2.7Å; L130-R134 WeakPolarHBondContact O-CG 3.48Å; L130-R134 PolarHBondContact O-N 3.19Å; L130-L463 HydrophobicContact CD1-CD2 4.08Å; L130-D473 HydrophobicContact CD1-CB 3.69Å; L130-D473 HydrophobicContact CG-CB 3.68Å; L130-D473 VanDerWaalsContact CG-CG 3.46Å
131F95.3Very high93.7Very high47 Ų4749.5 Ų49.521%0.20626%0.263CS..Hα-helixtrans-72.4-32.1-178.3-65.5-75.8000112.1A128 E129 R134 Y135 M187 L463A128-F131 PolarHBondContact O-N 3.48Å; E129-F131 PolarHBondContact O-N 3.45Å; F131-R134 PolarHBondContact O-N 2.81Å; F131-Y135 WeakPolarHBondContact O-CB 3.23Å; F131-Y135 PolarHBondContact O-N 3.05Å; F131-M187 HydrophobicContact CD1-CE 4.04Å; F131-M187 HydrophobicContact CD1-SD 3.47Å; F131-M187 WeakPolarHBondContact CD1-SD 3.39Å; F131-M187 HydrophobicContact CE1-SD 3.91Å; F131-M187 HydrophobicContact CG-CE 4.36Å; F131-M187 HydrophobicContact CG-SD 4.28Å; F131-L463 HydrophobicContact CE2-CD1 3.89Å; F131-L463 HydrophobicContact CE2-CG 4.38Å; F131-L463 HydrophobicContact CZ-CD1 4Å; F131-L463 HydrophobicContact CZ-CG 3.98Å
132R95.1Very high93.8Very high119 Ų11943.4 Ų43.445%0.44922%0.221SC..Hα-helixtrans-65.9-42.6174.9-70.3175.3169.7-177.4-6.7112.3A128 E129 Y135 T136A128-R132 WeakPolarHBondContact O-CG 3.4Å; A128-R132 PolarHBondContact O-N 2.95Å; E129-R132 PolarHBondContact O-N 3.31Å; E129-R132 IonicContact OE1-CZ 3.45Å; E129-R132 IonicContact OE1-NH1 2.69Å; E129-R132 PolarHBondContact OE1-NH1 2.83Å; R132-Y135 PolarHBondContact O-N 3.17Å; R132-T136 VanDerWaalsContact O-CB 3.29Å; R132-T136 WeakPolarHBondContact O-CB 3.16Å; R132-T136 PolarHBondContact O-N 2.72Å; R132-T136 PolarHBondContact O-OG1 3.33Å
133E94.2Very high94Very high25 Ų2546.9 Ų46.912%0.11723%0.229CC..Hα-helixtrans-63.1-46.6176.2-76.9-167.7-15500110.2R97 E129 Y135 T136 I137 R477R97-E133 IonicContact NH2-OE1 3.22Å; R97-E133 PolarHBondContact NH2-OE1 2.99Å; R97-E133 VanDerWaalsContact NH2-OE1 3.12Å; E129-E133 WeakPolarHBondContact O-CB 3.4Å; E129-E133 WeakPolarHBondContact O-CG 3.47Å; E129-E133 PolarHBondContact O-N 3.49Å; E133-Y135 PolarHBondContact O-N 3Å; E133-T136 PolarHBondContact O-N 3.23Å; E133-I137 WeakPolarHBondContact O-CD1 3.41Å; E133-I137 VanDerWaalsContact O-CG1 3.26Å; E133-I137 WeakPolarHBondContact O-CG1 3.35Å; E133-I137 PolarHBondContact O-N 3.16Å; E133-R477 IonicContact OE2-NH2 3.29Å; E133-R477 PolarHBondContact OE2-NH2 3.14Å
134R96.1Very high93.7Very high19 Ų1943.2 Ų43.27%0.07221%0.206CC..Hα-helixtrans-56.9-47.7175.6-69.1179.3-177.4-159.83.7111.8L130 F131 L138 F227 H457 T459 D473L130-R134 WeakPolarHBondContact O-CG 3.48Å; L130-R134 PolarHBondContact O-N 3.19Å; F131-R134 PolarHBondContact O-N 2.81Å; R134-L138 WeakPolarHBondContact O-CG 3.43Å; R134-L138 PolarHBondContact O-N 2.95Å; R134-F227 HydrophobicContact CB-CD2 4.47Å; R134-F227 HydrophobicContact CB-CE2 3.51Å; R134-F227 HydrophobicContact CB-CZ 3.81Å; R134-H457 VanDerWaalsContact CZ-NE2 3.3Å; R134-H457 PolarHBondContact NH2-NE2 3.22Å; R134-T459 PolarHBondContact NH1-O 3.33Å; R134-D473 IonicContact CZ-OD1 2.77Å; R134-D473 IonicContact CZ-OD2 3.48Å; R134-D473 IonicContact NE-OD1 3.72Å; R134-D473 PolarHBondContact NE-OD1 3.48Å; R134-D473 IonicContact NE-OD2 3.05Å; R134-D473 PolarHBondContact NE-OD2 3.06Å; R134-D473 IonicContact NH2-OD1 3.38Å; R134-D473 PolarHBondContact NH2-OD1 2.89Å; R134-D473 IonicContact NH2-OD2 3.5Å
135Y96.6Very high93.5Very high11 Ų1142.2 Ų42.24%0.04319%0.187CC..Hα-helixtrans-59.5-50.9175.5179.8-91.6000111.9F131 R132 E133 I137 L138 Q139 L185 D200 P201 F227F131-Y135 WeakPolarHBondContact O-CB 3.23Å; F131-Y135 PolarHBondContact O-N 3.05Å; R132-Y135 PolarHBondContact O-N 3.17Å; E133-Y135 PolarHBondContact O-N 3Å; Y135-I137 VanDerWaalsContact C-N 3.29Å; Y135-I137 PolarHBondContact O-N 2.96Å; Y135-L138 PolarHBondContact O-N 3.32Å; Y135-L138 VanDerWaalsContact O-N 3.15Å; Y135-Q139 HydrophobicContact CD1-CB 4.26Å; Y135-Q139 HydrophobicContact CE1-CB 3.97Å; Y135-Q139 VanDerWaalsContact CE1-CD 3.48Å; Y135-Q139 HydrophobicContact CE1-CG 4.13Å; Y135-Q139 VanDerWaalsContact O-CB 3.28Å; Y135-Q139 WeakPolarHBondContact O-CB 3.23Å; Y135-Q139 PolarHBondContact O-N 2.93Å; Y135-Q139 PolarHBondContact OH-NE2 3.29Å; Y135-L185 HydrophobicContact CD2-CG 4.48Å; Y135-L185 HydrophobicContact CE2-CB 4.42Å; Y135-L185 HydrophobicContact CE2-CD2 4.07Å; Y135-L185 HydrophobicContact CE2-CG 3.87Å; Y135-L185 WeakPolarHBondContact CE2-O 3.18Å; Y135-D200 HydrophobicContact CE2-CB 3.77Å; Y135-P201 VanDerWaalsContact CD1-CD 3.48Å; Y135-P201 HydrophobicContact CD1-CG 3.48Å; Y135-P201 VanDerWaalsContact CD1-CG 3.48Å; Y135-P201 VanDerWaalsContact CE1-CD 3.4Å; Y135-P201 HydrophobicContact CE1-CG 3.73Å; Y135-P201 HydrophobicContact CG-CG 4.02Å; Y135-F227 AromaticContact CD2-CD1 3.92Å; Y135-F227 HydrophobicContact CD2-CD1 3.92Å; Y135-F227 AromaticContact CD2-CE1 3.76Å; Y135-F227 HydrophobicContact CD2-CE1 3.76Å; Y135-F227 HydrophobicContact CG-CE1 4.19Å
136T95.6Very high93Very high29 Ų2942.2 Ų42.218%0.17819%0.194CC..Hα-helixtrans-60.2-39.9-174.1-59.20000111.4Y100 V102 R132 E133 Q139 Q140Y100-T136 HydrophobicContact CD1-CG2 3.6Å; Y100-T136 HydrophobicContact CE1-CG2 4.31Å; Y100-T136 HydrophobicContact CG-CG2 4.41Å; V102-T136 HydrophobicContact CG2-CG2 4.27Å; R132-T136 VanDerWaalsContact O-CB 3.29Å; R132-T136 WeakPolarHBondContact O-CB 3.16Å; R132-T136 PolarHBondContact O-N 2.72Å; R132-T136 PolarHBondContact O-OG1 3.33Å; E133-T136 PolarHBondContact O-N 3.23Å; T136-Q139 PolarHBondContact O-N 3.22Å; T136-Q140 VanDerWaalsContact O-CG 3.24Å; T136-Q140 WeakPolarHBondContact O-CG 3.43Å; T136-Q140 PolarHBondContact O-N 2.71Å
137I94.9Very high92.5Very high11 Ų1145.1 Ų45.16%0.05621%0.209CC..Hα-helixtrans-67.7-40.6178.8-67.3162000111.4E133 Y135 Q140 R141 Y479E133-I137 WeakPolarHBondContact O-CD1 3.41Å; E133-I137 VanDerWaalsContact O-CG1 3.26Å; E133-I137 WeakPolarHBondContact O-CG1 3.35Å; E133-I137 PolarHBondContact O-N 3.16Å; Y135-I137 VanDerWaalsContact C-N 3.29Å; Y135-I137 PolarHBondContact O-N 2.96Å; I137-Q140 VanDerWaalsContact O-CG 3.26Å; I137-Q140 WeakPolarHBondContact O-CG 3.45Å; I137-Q140 PolarHBondContact O-NE2 2.95Å; I137-R141 VanDerWaalsContact O-CB 3.31Å; I137-R141 WeakPolarHBondContact O-CB 3.34Å; I137-R141 PolarHBondContact O-N 3.3Å; I137-Y479 HydrophobicContact CG2-CD1 3.63Å; I137-Y479 HydrophobicContact CG2-CE1 4.07Å; I137-Y479 HydrophobicContact CG2-CG 4.1Å
138L95.8Very high92Very high2 Ų241.5 Ų41.51%0.0119%0.193CC..Hα-helixtrans-72.3-36.4176.8-67.6178.2000111.9R134 Y135 R141 T142 F227 P247 S454R134-L138 WeakPolarHBondContact O-CG 3.43Å; R134-L138 PolarHBondContact O-N 2.95Å; Y135-L138 PolarHBondContact O-N 3.32Å; Y135-L138 VanDerWaalsContact O-N 3.15Å; L138-R141 PolarHBondContact O-N 3.33Å; L138-T142 WeakPolarHBondContact O-CB 3.35Å; L138-T142 PolarHBondContact O-N 3.41Å; L138-T142 PolarHBondContact O-OG1 2.57Å; L138-F227 HydrophobicContact CD1-CB 3.41Å; L138-F227 VanDerWaalsContact CD1-CB 3.41Å; L138-F227 HydrophobicContact CD1-CD2 3.61Å; L138-F227 HydrophobicContact CD1-CG 3.6Å; L138-P247 HydrophobicContact CB-CG 4.39Å; L138-P247 HydrophobicContact CD1-CG 4.22Å; L138-P247 HydrophobicContact CD2-CG 4.03Å; L138-P247 HydrophobicContact CG-CG 4.46Å; L138-S454 WeakPolarHBondContact CD2-O 3.32Å
139Q94.6Very high91.1Very high42 Ų4241.8 Ų41.820%0.19619%0.191CC..Hα-helixtrans-62.8-52.6176.8-175.3-174.546.800111.2Y135 T136 R141 T142 Y143 L185Y135-Q139 HydrophobicContact CD1-CB 4.26Å; Y135-Q139 HydrophobicContact CE1-CB 3.97Å; Y135-Q139 VanDerWaalsContact CE1-CD 3.48Å; Y135-Q139 HydrophobicContact CE1-CG 4.13Å; Y135-Q139 VanDerWaalsContact O-CB 3.28Å; Y135-Q139 WeakPolarHBondContact O-CB 3.23Å; Y135-Q139 PolarHBondContact O-N 2.93Å; Y135-Q139 PolarHBondContact OH-NE2 3.29Å; T136-Q139 PolarHBondContact O-N 3.22Å; Q139-R141 VanDerWaalsContact C-N 3.26Å; Q139-R141 PolarHBondContact O-N 3.32Å; Q139-T142 PolarHBondContact O-N 2.99Å; Q139-Y143 HydrophobicContact CG-CD2 3.69Å; Q139-Y143 HydrophobicContact CG-CE2 3.36Å; Q139-Y143 VanDerWaalsContact O-CD2 3.25Å; Q139-Y143 WeakPolarHBondContact O-CD2 3.33Å; Q139-Y143 PolarHBondContact O-N 3.48Å; Q139-L185 VanDerWaalsContact CA-CD2 3.48Å; Q139-L185 HydrophobicContact CB-CD2 3.75Å; Q139-L185 HydrophobicContact CG-CD2 4.24Å
140Q93Very high89.9Confident10 Ų1045 Ų455%0.04721%0.214CC..Hα-helixtrans-60.4-38.6178.865.577.422.500111.9Y100 T136 I137 R144 Y259 Y479Y100-Q140 HydrophobicContact CD2-CG 4.39Å; Y100-Q140 HydrophobicContact CE1-CB 3.82Å; Y100-Q140 HydrophobicContact CE1-CG 4.19Å; Y100-Q140 HydrophobicContact CE2-CB 4.21Å; Y100-Q140 HydrophobicContact CE2-CG 4.1Å; T136-Q140 VanDerWaalsContact O-CG 3.24Å; T136-Q140 WeakPolarHBondContact O-CG 3.43Å; T136-Q140 PolarHBondContact O-N 2.71Å; I137-Q140 VanDerWaalsContact O-CG 3.26Å; I137-Q140 WeakPolarHBondContact O-CG 3.45Å; I137-Q140 PolarHBondContact O-NE2 2.95Å; Q140-R144 WeakPolarHBondContact O-CG 3.16Å; Q140-R144 PolarHBondContact O-N 3.2Å; Q140-Y259 VanDerWaalsContact CD-OH 3.25Å; Q140-Y259 PolarHBondContact OE1-OH 3.29Å; Q140-Y479 PolarHBondContact NE2-OH 2.97Å; Q140-Y479 VanDerWaalsContact NE2-OH 3.11Å
141R93.2Very high88.4Confident5 Ų548.3 Ų48.32%0.01924%0.236CC..Hα-helixtrans-67.1-42.4178.5-164.7-176.978.2-164.6-2.3111.3I137 L138 Q139 R144 P247 P248 E250 L453 S454 Y479I137-R141 VanDerWaalsContact O-CB 3.31Å; I137-R141 WeakPolarHBondContact O-CB 3.34Å; I137-R141 PolarHBondContact O-N 3.3Å; L138-R141 PolarHBondContact O-N 3.33Å; Q139-R141 VanDerWaalsContact C-N 3.26Å; Q139-R141 PolarHBondContact O-N 3.32Å; R141-R144 PolarHBondContact O-N 3.11Å; R141-P247 PolarHBondContact NH2-O 3.37Å; R141-P248 PolarHBondContact NE-O 3.03Å; R141-P248 PolarHBondContact NH2-O 2.82Å; R141-E250 HydrophobicContact CG-CB 3.55Å; R141-E250 HydrophobicContact CG-CG 4.42Å; R141-L453 PolarHBondContact NH1-O 2.91Å; R141-S454 PolarHBondContact NH1-O 3.15Å; R141-S454 PolarHBondContact NH2-O 3.35Å; R141-Y479 HydrophobicContact CG-CE2 4.36Å
142T92.3Very high87Confident0 Ų049.6 Ų49.60%026%0.255CS..Hα-helixtrans-65.6-43.4179.2-55.30000111.2L138 Q139 R144 H145 F148 L166 L229 P247L138-T142 WeakPolarHBondContact O-CB 3.35Å; L138-T142 PolarHBondContact O-N 3.41Å; L138-T142 PolarHBondContact O-OG1 2.57Å; Q139-T142 PolarHBondContact O-N 2.99Å; T142-R144 PolarHBondContact O-N 2.95Å; T142-R144 VanDerWaalsContact O-N 3.15Å; T142-H145 WeakPolarHBondContact O-CB 3.5Å; T142-H145 PolarHBondContact O-N 3.09Å; T142-H145 VanDerWaalsContact O-N 3.07Å; T142-F148 HydrophobicContact CG2-CD1 4.25Å; T142-F148 HydrophobicContact CG2-CD2 3.72Å; T142-F148 HydrophobicContact CG2-CE1 4.41Å; T142-F148 HydrophobicContact CG2-CE2 3.91Å; T142-F148 HydrophobicContact CG2-CG 3.92Å; T142-F148 HydrophobicContact CG2-CZ 4.27Å; T142-F148 WeakPolarHBondContact O-CB 3.5Å; T142-L166 HydrophobicContact CG2-CD1 3.87Å; T142-L229 HydrophobicContact CG2-CD1 4.33Å; T142-L229 HydrophobicContact CG2-CD2 4.27Å; T142-P247 VanDerWaalsContact OG1-CB 3.27Å; T142-P247 WeakPolarHBondContact OG1-CB 3.3Å
143Y90.3Very high85Confident94 Ų9452.9 Ų52.937%0.36928%0.279SS..Hα-helixtrans-62.9-20178.9-81.3-55000114.6Q139 T149 L166Q139-Y143 HydrophobicContact CG-CD2 3.69Å; Q139-Y143 HydrophobicContact CG-CE2 3.36Å; Q139-Y143 VanDerWaalsContact O-CD2 3.25Å; Q139-Y143 WeakPolarHBondContact O-CD2 3.33Å; Q139-Y143 PolarHBondContact O-N 3.48Å; Y143-T149 PolarHBondContact O-OG1 2.81Å; Y143-L166 HydrophobicContact CD1-CD1 4.32Å; Y143-L166 HydrophobicContact CE1-CB 4.17Å; Y143-L166 HydrophobicContact CE1-CD1 3.91Å; Y143-L166 HydrophobicContact CE1-CG 4.32Å
144R86.4Confident83.2Confident47 Ų4755.8 Ų55.818%0.17732%0.316CS..Hα-helixtrans-87.7-16176.6-69.1178.5-164.7161.85.2114.1Q140 R141 T142 T149 E250 Y258 Y259Q140-R144 WeakPolarHBondContact O-CG 3.16Å; Q140-R144 PolarHBondContact O-N 3.2Å; R141-R144 PolarHBondContact O-N 3.11Å; T142-R144 PolarHBondContact O-N 2.95Å; T142-R144 VanDerWaalsContact O-N 3.15Å; R144-T149 PolarHBondContact O-OG1 3.07Å; R144-E250 IonicContact NH1-OE2 2.63Å; R144-Y258 VanDerWaalsContact NH1-CD1 3.35Å; R144-Y259 VanDerWaalsContact CZ-CZ 3.49Å; R144-Y259 VanDerWaalsContact CZ-OH 3.29Å; R144-Y259 PolarHBondContact NH1-OH 3.26Å; R144-Y259 VanDerWaalsContact NH1-OH 3.15Å; R144-Y259 PolarHBondContact NH2-OH 2.84Å
145H88.2Confident81.5Confident65 Ų6557.4 Ų57.430%0.30133%0.334SS..SBendtrans-68.2142.1178.7-168.6-88000109.4T142 L147 F148 T149 P248T142-H145 WeakPolarHBondContact O-CB 3.5Å; T142-H145 PolarHBondContact O-N 3.09Å; T142-H145 VanDerWaalsContact O-N 3.07Å; H145-L147 PolarHBondContact ND1-N 2.89Å; H145-L147 PolarHBondContact O-N 3.44Å; H145-L147 VanDerWaalsContact O-N 3.11Å; H145-F148 HydrophobicContact CB-CD2 4.19Å; H145-F148 PolarHBondContact O-N 2.67Å; H145-T149 PolarHBondContact O-N 3.23Å; H145-T149 PolarHBondContact O-OG1 3.38Å; H145-P248 HydrophobicContact CB-CB 4.43Å; H145-P248 HydrophobicContact CB-CG 3.62Å; H145-P248 VanDerWaalsContact CD2-CB 3.4Å; H145-P248 WeakPolarHBondContact CD2-CB 3.25Å; H145-P248 VanDerWaalsContact CG-CG 3.48Å
146E82.8Confident79.4Confident163 Ų16361.2 Ų61.276%0.76237%0.367SS*.THydrogen-bonded Turntrans-55.7-36.5-172.4-63.2-177166.600112.6F148E146-F148 VanDerWaalsContact C-N 3.26Å; E146-F148 PolarHBondContact O-N 3.25Å
147L83.4Confident77.6Confident82 Ų8265.8 Ų65.843%0.42940%0.395SS..THydrogen-bonded Turntrans-63-25.4177.6-62.9176.1000114.4H145 K163 F164H145-L147 PolarHBondContact ND1-N 2.89Å; H145-L147 PolarHBondContact O-N 3.44Å; H145-L147 VanDerWaalsContact O-N 3.11Å; L147-K163 WeakPolarHBondContact O-CA 3.41Å; L147-F164 HydrophobicContact CB-CD2 4.11Å; L147-F164 PolarHBondContact O-N 3.21Å
148F82.8Confident75.7Confident21 Ų2170 Ų709%0.09242%0.421CS..THydrogen-bonded Turntrans-113.9-7.6-175.9-62.6-84.5000113.1T142 H145 E146 F164 L166 L229 P248T142-F148 HydrophobicContact CG2-CD1 4.25Å; T142-F148 HydrophobicContact CG2-CD2 3.72Å; T142-F148 HydrophobicContact CG2-CE1 4.41Å; T142-F148 HydrophobicContact CG2-CE2 3.91Å; T142-F148 HydrophobicContact CG2-CG 3.92Å; T142-F148 HydrophobicContact CG2-CZ 4.27Å; T142-F148 WeakPolarHBondContact O-CB 3.5Å; H145-F148 HydrophobicContact CB-CD2 4.19Å; H145-F148 PolarHBondContact O-N 2.67Å; E146-F148 VanDerWaalsContact C-N 3.26Å; E146-F148 PolarHBondContact O-N 3.25Å; F148-F164 HydrophobicContact CD1-CB 3.68Å; F148-F164 WeakPolarHBondContact CD1-O 3.42Å; F148-F164 HydrophobicContact CE1-CB 3.42Å; F148-F164 VanDerWaalsContact CE1-CB 3.42Å; F148-F164 HydrophobicContact CE1-CD2 4.38Å; F148-F164 HydrophobicContact CE1-CG 4.26Å; F148-F164 HydrophobicContact CZ-CB 4.14Å; F148-F164 HydrophobicContact CZ-CD2 4.25Å; F148-L166 HydrophobicContact CD1-CD1 4.41Å; F148-L166 HydrophobicContact CD1-CD2 3.81Å; F148-L166 HydrophobicContact CD1-CG 3.84Å; F148-L166 HydrophobicContact CE1-CD2 3.59Å; F148-L166 HydrophobicContact CE1-CG 4.17Å; F148-L229 HydrophobicContact CE1-CD1 4.4Å; F148-L229 HydrophobicContact CE2-CD1 4.09Å; F148-L229 HydrophobicContact CZ-CD1 3.6Å; F148-P248 HydrophobicContact CE2-CG 4.4Å
149T75.9Confident73.2Confident52 Ų5279.1 Ų79.132%0.31946%0.464SS..SBendtrans-75.5122.2-179.5-580000109.4Y143 R144 H145 K163Y143-T149 PolarHBondContact O-OG1 2.81Å; R144-T149 PolarHBondContact O-OG1 3.07Å; H145-T149 PolarHBondContact O-N 3.23Å; H145-T149 PolarHBondContact O-OG1 3.38Å; T149-K163 WeakPolarHBondContact O-CD 3.38Å; T149-K163 PolarHBondContact O-NZ 3.43Å
150P67.3Low71.1Confident97 Ų9780.9 Ų80.963%0.6349%0.493SS*.PPolyproline II helixtrans-58.9144.4178.623.6-32.3000110.6A152P150-A152 PolarHBondContact O-N 3.32Å
151P62.4Low69.4Low74 Ų7486.8 Ų86.848%0.48152%0.52SS..PPolyproline II helixtrans-58.5138.9175.524.9-30.6000110.3
152A65.3Low67.9Low74 Ų7492.9 Ų92.961%0.61255%0.553SS**PPolyproline II helixtrans-58.9140.5174.500000109.7P150 G154 A155P150-A152 PolarHBondContact O-N 3.32Å; A152-G154 PolarHBondContact O-N 2.91Å; A152-A155 HydrophobicContact CB-CB 4.4Å; A152-A155 WeakPolarHBondContact O-CB 3.39Å; A152-A155 PolarHBondContact O-N 2.83Å
153I54.2Low66.9Low187 Ų18797.1 Ų97.196%0.95957%0.572SS**THydrogen-bonded Turntrans-58.8114.8-179-58.6172.5000108.5
154G55.3Low66.5Low86 Ų8695.8 Ų95.889%0.88757%0.568SS**THydrogen-bonded Turntrans97.1-0.4-178.900000116.2A152A152-G154 PolarHBondContact O-N 2.91Å
155A60.5Low66.4Low54 Ų54101.1 Ų101.145%0.44660%0.595SS.*  trans-74.8135.8172.300000111.1A152 V157A152-A155 HydrophobicContact CB-CB 4.4Å; A152-A155 WeakPolarHBondContact O-CB 3.39Å; A152-A155 PolarHBondContact O-N 2.83Å; A155-V157 PolarHBondContact O-N 2.89Å
156A54.2Low66.5Low90 Ų9098.8 Ų98.874%0.74459%0.585SS**  trans-59.6128.3171.900000109.3V158A156-V158 PolarHBondContact O-N 3.29Å
157V57Low66.9Low126 Ų12695.9 Ų95.976%0.76457%0.567SS**  trans-65.4106.2171.9-177.60000106.5A155 E159A155-V157 PolarHBondContact O-N 2.89Å; V157-E159 PolarHBondContact O-N 2.96Å; V157-E159 VanDerWaalsContact O-N 3.15Å
158V54.6Low67.4Low100 Ų10093.8 Ų93.861%0.60656%0.558SS**  trans-68.9110.8173.4-1770000106.9A156 G160 Q161A156-V158 PolarHBondContact O-N 3.29Å; V158-G160 PolarHBondContact O-N 2.91Å; V158-Q161 PolarHBondContact O-N 3.03Å
159E42.7Very low67.9Low193 Ų19392.8 Ų92.890%0.90255%0.553SS**THydrogen-bonded Turntrans-54.9121.8175.4-77.2-176.9154.900109.6V157V157-E159 PolarHBondContact O-N 2.96Å; V157-E159 VanDerWaalsContact O-N 3.15Å
160G52.3Low68.8Low78 Ų7896 Ų9680%0.80457%0.565SS**THydrogen-bonded Turntrans112.9-8.3177.100000116.3V158V158-G160 PolarHBondContact O-N 2.91Å
161Q55.6Low69.9Low134 Ų13493.6 Ų93.663%0.62655%0.553SS**  trans-9892169.4-73.4-169.5-19.200110.9V158 K163V158-Q161 PolarHBondContact O-N 3.03Å; Q161-K163 PolarHBondContact O-N 2.9Å
162N61.5Low71.2Confident133 Ų13390.1 Ų90.171%0.71153%0.53SS*.  trans-66.8103170-75.6-4.2000109
163K72.6Confident72.5Confident90 Ų9090.3 Ų90.339%0.39152%0.52SS..  trans-80.2134.7170.8-69.6-172.9168.8-156.40109.5L147 T149 Q161L147-K163 WeakPolarHBondContact O-CA 3.41Å; T149-K163 WeakPolarHBondContact O-CD 3.38Å; T149-K163 PolarHBondContact O-NZ 3.43Å; Q161-K163 PolarHBondContact O-N 2.9Å
164F81.8Confident74.1Confident66 Ų6684.7 Ų84.729%0.28951%0.509SS..  trans-93.1132.1179.6-60.2-63.8000110.2L147 F148 I183L147-F164 HydrophobicContact CB-CD2 4.11Å; L147-F164 PolarHBondContact O-N 3.21Å; F148-F164 HydrophobicContact CD1-CB 3.68Å; F148-F164 WeakPolarHBondContact CD1-O 3.42Å; F148-F164 HydrophobicContact CE1-CB 3.42Å; F148-F164 VanDerWaalsContact CE1-CB 3.42Å; F148-F164 HydrophobicContact CE1-CD2 4.38Å; F148-F164 HydrophobicContact CE1-CG 4.26Å; F148-F164 HydrophobicContact CZ-CB 4.14Å; F148-F164 HydrophobicContact CZ-CD2 4.25Å; F164-I183 HydrophobicContact CB-CD1 3.74Å; F164-I183 HydrophobicContact CD1-CD1 3.23Å; F164-I183 HydrophobicContact CE1-CD1 3.97Å; F164-I183 HydrophobicContact CG-CD1 3.63Å
165Q84.8Confident75.7Confident158 Ų15882 Ų8274%0.73848%0.477SS*.  trans-106.3118174.2-171.3176.514.200109.7
166L89.6Confident76.6Confident17 Ų1785.9 Ų85.99%0.08950%0.5CS..BIsolated β-bridgetrans-70.7135.9174.1-59.6179.2000110.4T142 Y143 F148 I183 L185 L229T142-L166 HydrophobicContact CG2-CD1 3.87Å; Y143-L166 HydrophobicContact CD1-CD1 4.32Å; Y143-L166 HydrophobicContact CE1-CB 4.17Å; Y143-L166 HydrophobicContact CE1-CD1 3.91Å; Y143-L166 HydrophobicContact CE1-CG 4.32Å; F148-L166 HydrophobicContact CD1-CD1 4.41Å; F148-L166 HydrophobicContact CD1-CD2 3.81Å; F148-L166 HydrophobicContact CD1-CG 3.84Å; F148-L166 HydrophobicContact CE1-CD2 3.59Å; F148-L166 HydrophobicContact CE1-CG 4.17Å; L166-I183 WeakPolarHBondContact CA-O 3.46Å; L166-I183 HydrophobicContact CD2-CB 4.42Å; L166-I183 HydrophobicContact CD2-CG2 3.73Å; L166-L185 HydrophobicContact CD1-CB 4.41Å; L166-L229 HydrophobicContact CD2-CD2 3.68Å
167R91.3Very high78.1Confident101 Ų10184.4 Ų84.438%0.38149%0.488SS..  trans-110.2148.6168.9-64.3-168.4178.7-160.40.6110.7I183R167-I183 PolarHBondContact N-O 3.43Å
168T93.5Very high79.6Confident39 Ų3984 Ų8424%0.23948%0.476CS..  trans-80.5157.1171.351.80000110.5E170 A171 L172T168-E170 VanDerWaalsContact C-N 3.33Å; T168-E170 PolarHBondContact O-N 2.94Å; T168-E170 WeakPolarHBondContact OG1-CG 3.49Å; T168-E170 PolarHBondContact OG1-OE1 3.13Å; T168-A171 WeakPolarHBondContact O-CB 3.3Å; T168-A171 PolarHBondContact O-N 3.21Å; T168-L172 PolarHBondContact O-N 2.82Å
169I94.3Very high81Confident0 Ų080.5 Ų80.50%045%0.454CS..Hα-helixtrans-65.6-37.7178.8-66.6175.4000111.1A171 L172 L173 V184 L198 D200 S202 G203 V205I169-A171 PolarHBondContact O-N 3.43Å; I169-L172 WeakPolarHBondContact O-CB 3.28Å; I169-L172 PolarHBondContact O-N 3.43Å; I169-L173 HydrophobicContact CG2-CD1 3.91Å; I169-L173 HydrophobicContact CG2-CG 4.13Å; I169-L173 WeakPolarHBondContact O-CG 3.42Å; I169-L173 PolarHBondContact O-N 2.63Å; I169-V184 HydrophobicContact CD1-CG1 4.47Å; I169-V184 HydrophobicContact CG1-CG1 3.78Å; I169-L198 HydrophobicContact CD1-CB 4.4Å; I169-L198 HydrophobicContact CD1-CG 4.39Å; I169-L198 VanDerWaalsContact CD1-O 3.3Å; I169-L198 WeakPolarHBondContact CD1-O 3.45Å; I169-D200 HydrophobicContact CD1-CB 3.79Å; I169-D200 HydrophobicContact CG1-CB 4.19Å; I169-D200 WeakPolarHBondContact CG1-OD2 3.31Å; I169-D200 PolarHBondContact N-OD2 2.94Å; I169-S202 PolarHBondContact N-OG 3.39Å; I169-G203 WeakPolarHBondContact CD1-O 3.23Å; I169-V205 HydrophobicContact CD1-CG1 4.29Å; I169-V205 HydrophobicContact CG1-CG1 4.32Å; I169-V205 HydrophobicContact CG2-CB 3.93Å; I169-V205 HydrophobicContact CG2-CG1 4.07Å
170E93.9Very high82.9Confident120 Ų12073.5 Ų73.556%0.56143%0.434SS*.Hα-helixtrans-55-36.7173.562.7178.2-176.800112.7T168 L172 L173 G174 S202T168-E170 VanDerWaalsContact C-N 3.33Å; T168-E170 PolarHBondContact O-N 2.94Å; T168-E170 WeakPolarHBondContact OG1-CG 3.49Å; T168-E170 PolarHBondContact OG1-OE1 3.13Å; E170-L172 VanDerWaalsContact C-N 3.28Å; E170-L172 PolarHBondContact O-N 3.37Å; E170-L173 PolarHBondContact O-N 2.71Å; E170-G174 PolarHBondContact O-N 3.22Å; E170-S202 PolarHBondContact N-OG 2.91Å
171A90.8Very high84.5Confident46 Ų4676.5 Ų76.538%0.3843%0.427SS..Hα-helixtrans-71.3-27.5-179.800000111.8T168 I169T168-A171 WeakPolarHBondContact O-CB 3.3Å; T168-A171 PolarHBondContact O-N 3.21Å; I169-A171 PolarHBondContact O-N 3.43Å
172L90.4Very high86.1Confident0 Ų070.5 Ų70.50%040%0.399CS..Hα-helixtrans-73.2-51.7170.9-57.2-173.4000110.4T168 I169 E170 G174 S175 L179 V182 V184 Y234 F239T168-L172 PolarHBondContact O-N 2.82Å; I169-L172 WeakPolarHBondContact O-CB 3.28Å; I169-L172 PolarHBondContact O-N 3.43Å; E170-L172 VanDerWaalsContact C-N 3.28Å; E170-L172 PolarHBondContact O-N 3.37Å; L172-G174 PolarHBondContact O-N 3.12Å; L172-S175 WeakPolarHBondContact O-CB 3.42Å; L172-S175 PolarHBondContact O-N 3.26Å; L172-L179 HydrophobicContact CD2-CD1 3.51Å; L172-V182 HydrophobicContact CD2-CB 4.4Å; L172-V182 HydrophobicContact CD2-CG1 4.39Å; L172-V182 HydrophobicContact CD2-CG2 4.02Å; L172-V184 HydrophobicContact CD1-CG2 3.66Å; L172-V184 HydrophobicContact CG-CG2 4.39Å; L172-Y234 HydrophobicContact CB-CD1 4.28Å; L172-Y234 HydrophobicContact CB-CD2 4.08Å; L172-Y234 HydrophobicContact CB-CE1 4.41Å; L172-Y234 HydrophobicContact CB-CE2 4.2Å; L172-Y234 HydrophobicContact CB-CG 4.11Å; L172-Y234 HydrophobicContact CD1-CD2 4.4Å; L172-Y234 WeakPolarHBondContact O-CE1 3.4Å; L172-F239 HydrophobicContact CD1-CD2 4.32Å; L172-F239 HydrophobicContact CD1-CG 4.5Å
173L90.6Very high87.6Confident78 Ų7864.9 Ų64.941%0.40837%0.369SS..Hα-helixtrans-62.6-30.9-178.2-65176.9000112.9I169 E170 S175 V205 Y234I169-L173 HydrophobicContact CG2-CD1 3.91Å; I169-L173 HydrophobicContact CG2-CG 4.13Å; I169-L173 WeakPolarHBondContact O-CG 3.42Å; I169-L173 PolarHBondContact O-N 2.63Å; E170-L173 PolarHBondContact O-N 2.71Å; L173-S175 VanDerWaalsContact C-N 3.3Å; L173-V205 HydrophobicContact CD2-CG2 4.38Å; L173-Y234 HydrophobicContact CD2-CE2 4.49Å
174G89Confident88.7Confident70 Ų7060.6 Ų60.672%0.72235%0.35SS*.THydrogen-bonded Turntrans-75.6-13.7174.800000114.5E170 L172E170-G174 PolarHBondContact O-N 3.22Å; L172-G174 PolarHBondContact O-N 3.12Å
175S88.1Confident89.4Confident30 Ų3057.5 Ų57.521%0.2134%0.337CS..  trans-85.7121.7177.6-175.30000110.8L172 L173 A177L172-S175 WeakPolarHBondContact O-CB 3.42Å; L172-S175 PolarHBondContact O-N 3.26Å; L173-S175 VanDerWaalsContact C-N 3.3Å; S175-A177 VanDerWaalsContact C-N 3.34Å; S175-A177 PolarHBondContact OG-N 2.95Å; S175-A177 PolarHBondContact OG-O 2.61Å
176S80.9Confident89.9Confident134 Ų13450 Ų5094%0.93730%0.302SS*.  trans-84.6-9.917061.20000113.2
177A85.4Confident90.2Very high59 Ų5949.8 Ų49.849%0.48830%0.3SS..SBendtrans-100.6152.2179.100000111S175 L179S175-A177 VanDerWaalsContact C-N 3.34Å; S175-A177 PolarHBondContact OG-N 2.95Å; S175-A177 PolarHBondContact OG-O 2.61Å; A177-L179 PolarHBondContact O-N 3.1Å; A177-L179 VanDerWaalsContact O-N 3.16Å
178K87.3Confident90.4Very high118 Ų11845 Ų4551%0.51328%0.282SS..PPolyproline II helixtrans-56.4119169.3-172.5-173.5-162.9115.60109.2Y234 E235K178-Y234 WeakPolarHBondContact CA-O 3.19Å; K178-E235 VanDerWaalsContact CD-OE1 3.28Å; K178-E235 WeakPolarHBondContact CD-OE1 3.47Å; K178-E235 HydrophobicContact CG-CB 4.31Å; K178-E235 HydrophobicContact CG-CG 4.43Å; K178-E235 IonicContact NZ-OE1 2.79Å; K178-E235 PolarHBondContact NZ-OE1 3.41Å; K178-E235 IonicContact NZ-OE2 3.27Å; K178-E235 PolarHBondContact NZ-OE2 2.9Å
179L83.8Confident90.4Very high26 Ų2643.6 Ų43.614%0.13627%0.274CS..EExtended strand (participates in β ladder)trans-92.6130171.5-63.6173.3000107.8L172 A177 V182 W233 Y234L172-L179 HydrophobicContact CD2-CD1 3.51Å; A177-L179 PolarHBondContact O-N 3.1Å; A177-L179 VanDerWaalsContact O-N 3.16Å; L179-V182 HydrophobicContact CB-CG1 4.1Å; L179-W233 WeakPolarHBondContact O-CA 2.88Å; L179-W233 VanDerWaalsContact O-CB 3.29Å; L179-W233 WeakPolarHBondContact O-CB 3.43Å; L179-Y234 HydrophobicContact CD1-CD1 4.23Å; L179-Y234 PolarHBondContact N-O 3.07Å; L179-Y234 PolarHBondContact O-N 3.34Å
180G83.8Confident90.3Very high47 Ų4746.1 Ų46.149%0.48529%0.286SS..EExtended strand (participates in β ladder)trans-71.4-137.9175.100000112V182 G232 W233G180-V182 PolarHBondContact O-N 2.99Å; G180-V182 VanDerWaalsContact O-N 3.1Å; G180-G232 VanDerWaalsContact O-O 3.07Å; G180-W233 VanDerWaalsContact O-CA 3.31Å; G180-W233 WeakPolarHBondContact O-CA 3.3Å
181E85.1Confident90Very high141 Ų14145.8 Ų45.866%0.65929%0.287SS*.EExtended strand (participates in β ladder)trans-60.4112.4-179.3-164.6-178.9161.700111.5E231 G232E181-E231 HydrophobicContact CG-CG 4.41Å; E181-G232 CarbonylContact C-O 3.58Å; E181-G232 WeakPolarHBondContact CA-O 3.37Å
182V90.6Very high89.8Confident7 Ų750 Ų504%0.04230%0.297CS..EExtended strand (participates in β ladder)trans-133144.9176.8-63.50000109.7L172 L179 G180 E231 G232 F239L172-V182 HydrophobicContact CD2-CB 4.4Å; L172-V182 HydrophobicContact CD2-CG1 4.39Å; L172-V182 HydrophobicContact CD2-CG2 4.02Å; L179-V182 HydrophobicContact CB-CG1 4.1Å; G180-V182 PolarHBondContact O-N 2.99Å; G180-V182 VanDerWaalsContact O-N 3.1Å; V182-E231 WeakPolarHBondContact O-CA 3.36Å; V182-G232 WeakPolarHBondContact CG2-O 3.4Å; V182-G232 PolarHBondContact N-O 3.2Å; V182-G232 PolarHBondContact O-N 2.84Å; V182-F239 HydrophobicContact CG2-CD2 4.31Å; V182-F239 HydrophobicContact CG2-CE2 3.4Å; V182-F239 HydrophobicContact CG2-CZ 3.97Å
183I92.7Very high89.7Confident16 Ų1658 Ų588%0.08233%0.334CS..EExtended strand (participates in β ladder)trans-118.1127.2176.2-61.5166.7000108.4F164 L166 R167 L229 A230 E231F164-I183 HydrophobicContact CB-CD1 3.74Å; F164-I183 HydrophobicContact CD1-CD1 3.23Å; F164-I183 HydrophobicContact CE1-CD1 3.97Å; F164-I183 HydrophobicContact CG-CD1 3.63Å; L166-I183 WeakPolarHBondContact CA-O 3.46Å; L166-I183 HydrophobicContact CD2-CB 4.42Å; L166-I183 HydrophobicContact CD2-CG2 3.73Å; R167-I183 PolarHBondContact N-O 3.43Å; I183-L229 HydrophobicContact CG2-CB 4.31Å; I183-L229 HydrophobicContact CG2-CD2 4.3Å; I183-A230 WeakPolarHBondContact CA-O 3.35Å; I183-E231 HydrophobicContact CD1-CG 4.41Å; I183-E231 HydrophobicContact CG1-CB 4.01Å; I183-E231 HydrophobicContact CG1-CG 3.85Å
184V94.3Very high89.3Confident0 Ų057 Ų570%034%0.343CS..EExtended strand (participates in β ladder)trans-122.1129.8179.8-177.50000109.3I169 L172 L198 L229 A230 F239I169-V184 HydrophobicContact CD1-CG1 4.47Å; I169-V184 HydrophobicContact CG1-CG1 3.78Å; L172-V184 HydrophobicContact CD1-CG2 3.66Å; L172-V184 HydrophobicContact CG-CG2 4.39Å; V184-L198 HydrophobicContact CB-CD2 3.91Å; V184-L198 HydrophobicContact CG1-CD2 3.66Å; V184-L229 WeakPolarHBondContact O-CA 3.36Å; V184-A230 PolarHBondContact N-O 2.78Å; V184-A230 PolarHBondContact O-N 2.89Å; V184-F239 HydrophobicContact CG2-CE1 4.42Å; V184-F239 HydrophobicContact CG2-CZ 4.38Å
185L96.5Very high89.4Confident1 Ų158.4 Ų58.41%0.00533%0.329CS..EExtended strand (participates in β ladder)trans-84.6123.9164.3176.865.5000108.2Y135 Q139 L166 V228 L229 P247Y135-L185 HydrophobicContact CD2-CG 4.48Å; Y135-L185 HydrophobicContact CE2-CB 4.42Å; Y135-L185 HydrophobicContact CE2-CD2 4.07Å; Y135-L185 HydrophobicContact CE2-CG 3.87Å; Y135-L185 WeakPolarHBondContact CE2-O 3.18Å; Q139-L185 VanDerWaalsContact CA-CD2 3.48Å; Q139-L185 HydrophobicContact CB-CD2 3.75Å; Q139-L185 HydrophobicContact CG-CD2 4.24Å; L166-L185 HydrophobicContact CD1-CB 4.41Å; L185-V228 WeakPolarHBondContact CA-O 3.44Å; L185-L229 HydrophobicContact CB-CD2 3.88Å; L185-L229 HydrophobicContact CD1-CD2 3.93Å; L185-L229 HydrophobicContact CG-CD2 4.47Å; L185-P247 HydrophobicContact CD1-CB 4.43Å
186G96.3Very high89.6Confident0 Ų058.7 Ų58.70%033%0.326CS..EExtended strand (participates in β ladder)trans-164168.3175.600000113.5E199 F227 V228G186-E199 CarbonylContact C-O 3.42Å; G186-E199 WeakPolarHBondContact CA-O 3.44Å; G186-F227 CarbonylContact O-C 3.58Å; G186-F227 VanDerWaalsContact O-CA 3.32Å; G186-F227 WeakPolarHBondContact O-CA 3.48Å; G186-V228 PolarHBondContact N-O 2.88Å; G186-V228 PolarHBondContact O-N 2.84Å
187M96.6Very high90.3Very high12 Ų1254 Ų546%0.05929%0.288CS..EExtended strand (participates in β ladder)trans-87.6131177.3-174.9171.865.700110.3F131 T189 L198 E199 C226 F227F131-M187 HydrophobicContact CD1-CE 4.04Å; F131-M187 HydrophobicContact CD1-SD 3.47Å; F131-M187 WeakPolarHBondContact CD1-SD 3.39Å; F131-M187 HydrophobicContact CE1-SD 3.91Å; F131-M187 HydrophobicContact CG-CE 4.36Å; F131-M187 HydrophobicContact CG-SD 4.28Å; M187-T189 HydrophobicContact CE-CG2 3.61Å; M187-T189 HydrophobicContact CG-CG2 4.22Å; M187-L198 WeakPolarHBondContact O-CA 3.17Å; M187-E199 HydrophobicContact CE-CB 4.49Å; M187-E199 PolarHBondContact N-O 3.3Å; M187-E199 PolarHBondContact O-N 3.01Å; M187-C226 WeakPolarHBondContact CA-O 3.48Å; M187-F227 HydrophobicContact CB-CD1 3.9Å; M187-F227 HydrophobicContact CB-CE1 3.64Å; M187-F227 HydrophobicContact CB-CZ 4.13Å; M187-F227 HydrophobicContact CG-CE1 4.3Å; M187-F227 HydrophobicContact CG-CZ 4.32Å; M187-F227 HydrophobicContact SD-CE1 4.48Å; M187-F227 HydrophobicContact SD-CZ 4.04Å
188I95Very high90.7Very high1 Ų151.2 Ų51.21%0.00527%0.265CS..EExtended strand (participates in β ladder)trans-76.3126.4172.6-61.3170.6000109.1F196 L198 S225 C226 V228 F244 V435I188-F196 HydrophobicContact CG2-CD1 4.08Å; I188-L198 HydrophobicContact CG1-CD1 4.42Å; I188-S225 WeakPolarHBondContact O-CA 3.28Å; I188-S225 PolarHBondContact O-N 3.48Å; I188-C226 PolarHBondContact N-O 3.05Å; I188-V228 HydrophobicContact CD1-CB 4.37Å; I188-V228 HydrophobicContact CD1-CG1 3.62Å; I188-V228 HydrophobicContact CD1-CG2 3.83Å; I188-V228 HydrophobicContact CG1-CG1 4.21Å; I188-V228 HydrophobicContact CG1-CG2 3.69Å; I188-F244 HydrophobicContact CD1-CE1 4.34Å; I188-V435 HydrophobicContact CD1-CG2 4.48Å; I188-V435 HydrophobicContact CG2-CG2 4.04Å
189T93.1Very high91.2Very high10 Ų1049.1 Ų49.16%0.06126%0.257CS..EExtended strand (participates in β ladder)trans-129.9148.8174.557.80000111.4M187 F196 Y197M187-T189 HydrophobicContact CE-CG2 3.61Å; M187-T189 HydrophobicContact CG-CG2 4.22Å; T189-F196 CarbonylContact O-C 3.55Å; T189-F196 WeakPolarHBondContact O-CA 3.27Å; T189-Y197 PolarHBondContact N-O 3.32Å; T189-Y197 PolarHBondContact O-N 3.39Å
190Q91.6Very high91.7Very high53 Ų5348.4 Ų48.425%0.24825%0.253CS..EExtended strand (participates in β ladder)trans-116.187.6176.5-168.6178.30.400110.1K192 E193 F196Q190-K192 WeakPolarHBondContact CG-O 3.17Å; Q190-E193 PolarHBondContact NE2-OE1 3.3Å; Q190-F196 HydrophobicContact CB-CD1 4.08Å; Q190-F196 HydrophobicContact CB-CE1 4.06Å; Q190-F196 HydrophobicContact CG-CD1 4.23Å; Q190-F196 HydrophobicContact CG-CE1 4.05Å
191L87.6Confident92.2Very high113 Ų11349.7 Ų49.759%0.59225%0.254SS*.EExtended strand (participates in β ladder)trans-75-27.4-177.5-58.5-179.9000113.2Y197L191-Y197 HydrophobicContact CB-CD2 3.94Å; L191-Y197 HydrophobicContact CB-CE2 3.87Å; L191-Y197 HydrophobicContact CD1-CD1 4.37Å; L191-Y197 HydrophobicContact CD1-CD2 3.8Å; L191-Y197 HydrophobicContact CD1-CE2 4.04Å; L191-Y197 HydrophobicContact CD1-CG 3.99Å; L191-Y197 HydrophobicContact CG-CD2 3.77Å; L191-Y197 HydrophobicContact CG-CE2 4.16Å; L191-Y197 HydrophobicContact CG-CG 4.33Å
192K88.3Confident92.6Very high133 Ų13345.2 Ų45.258%0.57824%0.238SC*.EExtended strand (participates in β ladder)trans-137.4151.4175.3-60.2-177.8-179.8178.70108.8Q190 G194 K195Q190-K192 WeakPolarHBondContact CG-O 3.17Å; K192-G194 PolarHBondContact O-N 3.3Å; K192-K195 HydrophobicContact CB-CB 4.19Å; K192-K195 HydrophobicContact CB-CD 4.46Å; K192-K195 HydrophobicContact CB-CG 4.49Å; K192-K195 HydrophobicContact CD-CD 4.46Å; K192-K195 PolarHBondContact O-N 2.99Å
193E86.5Confident92.7Very high170 Ų17045.9 Ų45.979%0.79425%0.246SC*.THydrogen-bonded Turntrans-52.8129.9176.8-169.252.3-122.100111Q190 K195Q190-E193 PolarHBondContact NE2-OE1 3.3Å; E193-K195 PolarHBondContact O-N 2.9Å; E193-K195 VanDerWaalsContact O-N 3.13Å
194G83.7Confident92.9Very high56 Ų5647.8 Ų47.858%0.57726%0.258SS*.THydrogen-bonded Turntrans65.10.6-174.500000117.6K192K192-G194 PolarHBondContact O-N 3.3Å
195K90.1Very high92.9Very high99 Ų9947.9 Ų47.943%0.4326%0.259SS..EExtended strand (participates in β ladder)trans-115.5110.8178.1-61.3-168.9178.1-167.20111.4K192 E193 Y197K192-K195 HydrophobicContact CB-CB 4.19Å; K192-K195 HydrophobicContact CB-CD 4.46Å; K192-K195 HydrophobicContact CB-CG 4.49Å; K192-K195 HydrophobicContact CD-CD 4.46Å; K192-K195 PolarHBondContact O-N 2.99Å; E193-K195 PolarHBondContact O-N 2.9Å; E193-K195 VanDerWaalsContact O-N 3.13Å; K195-Y197 HydrophobicContact CB-CE2 4.04Å
196F92.6Very high92.8Very high36 Ų3651.3 Ų51.316%0.15828%0.275CS..EExtended strand (participates in β ladder)trans-96151.5178.4-63.1-82.2000111.7I188 T189 Q190 L207 M209 V435I188-F196 HydrophobicContact CG2-CD1 4.08Å; T189-F196 CarbonylContact O-C 3.55Å; T189-F196 WeakPolarHBondContact O-CA 3.27Å; Q190-F196 HydrophobicContact CB-CD1 4.08Å; Q190-F196 HydrophobicContact CB-CE1 4.06Å; Q190-F196 HydrophobicContact CG-CD1 4.23Å; Q190-F196 HydrophobicContact CG-CE1 4.05Å; F196-L207 HydrophobicContact CB-CB 4.26Å; F196-L207 HydrophobicContact CB-CD1 4.46Å; F196-L207 PolarHBondContact O-N 2.97Å; F196-M209 HydrophobicContact CB-CE 3.26Å; F196-M209 HydrophobicContact CD1-CE 3.96Å; F196-M209 HydrophobicContact CD2-CE 3.61Å; F196-M209 HydrophobicContact CD2-SD 4.46Å; F196-M209 HydrophobicContact CE2-CE 4.45Å; F196-M209 HydrophobicContact CG-CE 3.32Å; F196-V435 HydrophobicContact CD1-CG1 4.46Å; F196-V435 HydrophobicContact CE1-CG1 3.97Å; F196-V435 HydrophobicContact CE1-CG2 4.12Å; F196-V435 HydrophobicContact CE2-CG1 4.31Å; F196-V435 HydrophobicContact CZ-CG1 3.89Å
197Y94.9Very high92.7Very high37 Ų3751.8 Ų51.815%0.14528%0.277CS..EExtended strand (participates in β ladder)trans-133.1157.1177.4-64.3-98.6000109.3T189 L191 K195 T204 V205 Q206T189-Y197 PolarHBondContact N-O 3.32Å; T189-Y197 PolarHBondContact O-N 3.39Å; L191-Y197 HydrophobicContact CB-CD2 3.94Å; L191-Y197 HydrophobicContact CB-CE2 3.87Å; L191-Y197 HydrophobicContact CD1-CD1 4.37Å; L191-Y197 HydrophobicContact CD1-CD2 3.8Å; L191-Y197 HydrophobicContact CD1-CE2 4.04Å; L191-Y197 HydrophobicContact CD1-CG 3.99Å; L191-Y197 HydrophobicContact CG-CD2 3.77Å; L191-Y197 HydrophobicContact CG-CE2 4.16Å; L191-Y197 HydrophobicContact CG-CG 4.33Å; K195-Y197 HydrophobicContact CB-CE2 4.04Å; Y197-T204 HydrophobicContact CD1-CG2 3.92Å; Y197-T204 HydrophobicContact CG-CG2 4.12Å; Y197-V205 VanDerWaalsContact CA-O 3.29Å; Y197-V205 WeakPolarHBondContact CA-O 3.46Å; Y197-Q206 HydrophobicContact CD1-CB 4.02Å; Y197-Q206 HydrophobicContact CD1-CG 4.48Å; Y197-Q206 HydrophobicContact CE1-CB 3.76Å; Y197-Q206 HydrophobicContact CE1-CG 4.05Å
198L95.5Very high92.3Very high0 Ų053.1 Ų53.10%029%0.285CS..EExtended strand (participates in β ladder)trans-110.1133.1168.7-161.466.7000107.8I169 V184 M187 I188 T204 V205 L207 V228 A230 F239I169-L198 HydrophobicContact CD1-CB 4.4Å; I169-L198 HydrophobicContact CD1-CG 4.39Å; I169-L198 VanDerWaalsContact CD1-O 3.3Å; I169-L198 WeakPolarHBondContact CD1-O 3.45Å; V184-L198 HydrophobicContact CB-CD2 3.91Å; V184-L198 HydrophobicContact CG1-CD2 3.66Å; M187-L198 WeakPolarHBondContact O-CA 3.17Å; I188-L198 HydrophobicContact CG1-CD1 4.42Å; L198-T204 WeakPolarHBondContact O-CA 3.25Å; L198-V205 HydrophobicContact CB-CG1 4Å; L198-V205 PolarHBondContact N-O 2.86Å; L198-V205 PolarHBondContact O-N 3.18Å; L198-L207 HydrophobicContact CB-CD1 3.93Å; L198-L207 HydrophobicContact CB-CD2 3.8Å; L198-L207 HydrophobicContact CB-CG 3.91Å; L198-L207 HydrophobicContact CD1-CD1 4.33Å; L198-L207 HydrophobicContact CD2-CD2 4.47Å; L198-V228 HydrophobicContact CD1-CG2 3.89Å; L198-A230 HydrophobicContact CD2-CB 3.98Å; L198-F239 HydrophobicContact CD2-CD1 4.46Å; L198-F239 HydrophobicContact CD2-CE1 4.47Å
199E95.9Very high91.7Very high73 Ų7353.8 Ų53.834%0.34129%0.288SS..EExtended strand (participates in β ladder)trans-126.2134.3-176.9-169.5177.5163.200111.1G186 M187G186-E199 CarbonylContact C-O 3.42Å; G186-E199 WeakPolarHBondContact CA-O 3.44Å; M187-E199 HydrophobicContact CE-CB 4.49Å; M187-E199 PolarHBondContact N-O 3.3Å; M187-E199 PolarHBondContact O-N 3.01Å
200D95.3Very high91Very high11 Ų1157.5 Ų57.56%0.05931%0.314CS..EExtended strand (participates in β ladder)trans-132.3175.6170.679.5-1000108.6Y135 I169 S202 G203Y135-D200 HydrophobicContact CE2-CB 3.77Å; I169-D200 HydrophobicContact CD1-CB 3.79Å; I169-D200 HydrophobicContact CG1-CB 4.19Å; I169-D200 WeakPolarHBondContact CG1-OD2 3.31Å; I169-D200 PolarHBondContact N-OD2 2.94Å; D200-S202 PolarHBondContact O-N 3.39Å; D200-S202 VanDerWaalsContact OD1-CA 3.29Å; D200-S202 WeakPolarHBondContact OD1-CA 3.28Å; D200-S202 VanDerWaalsContact OD1-CB 3.3Å; D200-S202 WeakPolarHBondContact OD1-CB 3.47Å; D200-S202 PolarHBondContact OD1-N 2.89Å; D200-S202 PolarHBondContact OD1-OG 3.01Å; D200-S202 PolarHBondContact OD2-OG 3.4Å; D200-S202 VanDerWaalsContact OD2-OG 3.08Å; D200-G203 PolarHBondContact N-O 3.15Å; D200-G203 VanDerWaalsContact N-O 3.07Å; D200-G203 PolarHBondContact O-N 3.11Å; D200-G203 PolarHBondContact OD1-N 2.92Å
201P94.4Very high89.9Confident75 Ų7561.5 Ų61.549%0.48733%0.331SS..THydrogen-bonded Turntrans-60.6-16.6178.7-26.336.2000115.2Y135Y135-P201 VanDerWaalsContact CD1-CD 3.48Å; Y135-P201 HydrophobicContact CD1-CG 3.48Å; Y135-P201 VanDerWaalsContact CD1-CG 3.48Å; Y135-P201 VanDerWaalsContact CE1-CD 3.4Å; Y135-P201 HydrophobicContact CE1-CG 3.73Å; Y135-P201 HydrophobicContact CG-CG 4.02Å
202S93.6Very high89Confident47 Ų4756.5 Ų56.533%0.32931%0.305SS..THydrogen-bonded Turntrans-91.5-29.1-177.178.30000113.2I169 E170 D200I169-S202 PolarHBondContact N-OG 3.39Å; E170-S202 PolarHBondContact N-OG 2.91Å; D200-S202 PolarHBondContact O-N 3.39Å; D200-S202 VanDerWaalsContact OD1-CA 3.29Å; D200-S202 WeakPolarHBondContact OD1-CA 3.28Å; D200-S202 VanDerWaalsContact OD1-CB 3.3Å; D200-S202 WeakPolarHBondContact OD1-CB 3.47Å; D200-S202 PolarHBondContact OD1-N 2.89Å; D200-S202 PolarHBondContact OD1-OG 3.01Å; D200-S202 PolarHBondContact OD2-OG 3.4Å; D200-S202 VanDerWaalsContact OD2-OG 3.08Å
203G93.4Very high87.8Confident20 Ų2055.7 Ų55.721%0.20631%0.306CS..EExtended strand (participates in β ladder)trans173-164.3178.500000114.8I169 D200I169-G203 WeakPolarHBondContact CD1-O 3.23Å; D200-G203 PolarHBondContact N-O 3.15Å; D200-G203 VanDerWaalsContact N-O 3.07Å; D200-G203 PolarHBondContact O-N 3.11Å; D200-G203 PolarHBondContact OD1-N 2.92Å
204T95.6Very high86.3Confident56 Ų5653.9 Ų53.934%0.34430%0.296SS..EExtended strand (participates in β ladder)trans-134.4135.2-178.1-49.40000109.9Y197 L198Y197-T204 HydrophobicContact CD1-CG2 3.92Å; Y197-T204 HydrophobicContact CG-CG2 4.12Å; L198-T204 WeakPolarHBondContact O-CA 3.25Å
205V95Very high85.1Confident3 Ų358.9 Ų58.92%0.01830%0.304CS..EExtended strand (participates in β ladder)trans-126.2142.6176.964.40000110.8I169 L173 Y197 L198 Y234 F239I169-V205 HydrophobicContact CD1-CG1 4.29Å; I169-V205 HydrophobicContact CG1-CG1 4.32Å; I169-V205 HydrophobicContact CG2-CB 3.93Å; I169-V205 HydrophobicContact CG2-CG1 4.07Å; L173-V205 HydrophobicContact CD2-CG2 4.38Å; Y197-V205 VanDerWaalsContact CA-O 3.29Å; Y197-V205 WeakPolarHBondContact CA-O 3.46Å; L198-V205 HydrophobicContact CB-CG1 4Å; L198-V205 PolarHBondContact N-O 2.86Å; L198-V205 PolarHBondContact O-N 3.18Å; V205-Y234 HydrophobicContact CG2-CD2 4.16Å; V205-Y234 HydrophobicContact CG2-CE2 3.79Å; V205-F239 HydrophobicContact CG1-CB 4.18Å; V205-F239 HydrophobicContact CG2-CB 3.94Å
206Q94.9Very high83.9Confident73 Ų7357.4 Ų57.434%0.34130%0.299SS..EExtended strand (participates in β ladder)trans-71.4132.3176.8-174179.6-32.800110.2Y197 F239Y197-Q206 HydrophobicContact CD1-CB 4.02Å; Y197-Q206 HydrophobicContact CD1-CG 4.48Å; Y197-Q206 HydrophobicContact CE1-CB 3.76Å; Y197-Q206 HydrophobicContact CE1-CG 4.05Å; Q206-F239 PolarHBondContact O-N 3.34Å
207L92.6Very high83Confident9 Ų956.7 Ų56.75%0.04730%0.295CS..EExtended strand (participates in β ladder)trans-95.1131.2176.6-67.5179.6000111.1F196 L198 M209 F239 V241 F244F196-L207 HydrophobicContact CB-CB 4.26Å; F196-L207 HydrophobicContact CB-CD1 4.46Å; F196-L207 PolarHBondContact O-N 2.97Å; L198-L207 HydrophobicContact CB-CD1 3.93Å; L198-L207 HydrophobicContact CB-CD2 3.8Å; L198-L207 HydrophobicContact CB-CG 3.91Å; L198-L207 HydrophobicContact CD1-CD1 4.33Å; L198-L207 HydrophobicContact CD2-CD2 4.47Å; L207-M209 HydrophobicContact CB-CE 4.31Å; L207-M209 HydrophobicContact CD1-CE 3.95Å; L207-F239 HydrophobicContact CD2-CB 4.14Å; L207-F239 HydrophobicContact CD2-CD1 3.58Å; L207-F239 HydrophobicContact CD2-CG 4.31Å; L207-V241 HydrophobicContact CD2-CG2 3.71Å; L207-F244 HydrophobicContact CD1-CZ 4.22Å
208D88.8Confident82.4Confident40 Ų4061.2 Ų61.221%0.21432%0.318CS..EExtended strand (participates in β ladder)trans-102.7111163.218018.1000110.1S210 V238 F239 H240 V241D208-S210 VanDerWaalsContact CG-OG 3.31Å; D208-S210 WeakPolarHBondContact OD1-CB 3.26Å; D208-S210 PolarHBondContact OD1-N 2.84Å; D208-S210 PolarHBondContact OD1-OG 3.04Å; D208-S210 PolarHBondContact OD2-OG 3.37Å; D208-V238 HydrophobicContact CB-CG1 3.68Å; D208-F239 PolarHBondContact N-O 2.87Å; D208-H240 WeakPolarHBondContact CB-ND1 3.5Å; D208-H240 IonicContact OD2-CE1 2.71Å; D208-H240 PolarHBondContact OD2-CE1 3.25Å; D208-H240 VanDerWaalsContact OD2-CE1 3.27Å; D208-H240 IonicContact OD2-ND1 3.13Å; D208-H240 PolarHBondContact OD2-ND1 3.29Å; D208-V241 PolarHBondContact O-N 3.34Å
209M83.1Confident81.9Confident15 Ų1564.6 Ų64.67%0.07434%0.336CS..  trans-104.76.9177.8-64.1-164.9-136.400113F196 L207 K211 L212 F244 V435 R436F196-M209 HydrophobicContact CB-CE 3.26Å; F196-M209 HydrophobicContact CD1-CE 3.96Å; F196-M209 HydrophobicContact CD2-CE 3.61Å; F196-M209 HydrophobicContact CD2-SD 4.46Å; F196-M209 HydrophobicContact CE2-CE 4.45Å; F196-M209 HydrophobicContact CG-CE 3.32Å; L207-M209 HydrophobicContact CB-CE 4.31Å; L207-M209 HydrophobicContact CD1-CE 3.95Å; M209-K211 PolarHBondContact O-N 3.2Å; M209-L212 HydrophobicContact CB-CD1 3.82Å; M209-L212 HydrophobicContact CG-CD1 3.8Å; M209-L212 PolarHBondContact O-N 3.3Å; M209-L212 HydrophobicContact SD-CD1 4.29Å; M209-F244 HydrophobicContact CE-CE2 4.39Å; M209-F244 HydrophobicContact CE-CZ 4.21Å; M209-F244 HydrophobicContact CG-CE2 4.09Å; M209-F244 HydrophobicContact CG-CZ 4.41Å; M209-F244 HydrophobicContact SD-CE2 3.68Å; M209-F244 HydrophobicContact SD-CZ 4.08Å; M209-V435 HydrophobicContact CE-CG1 4.09Å; M209-V435 HydrophobicContact SD-CG1 3.92Å; M209-R436 PolarHBondContact O-NH2 3.34Å
210S76.9Confident81.6Confident88 Ų8861.3 Ų61.362%0.61532%0.321SS*.THydrogen-bonded Turntrans-60.2-33.2-173.759.80000113.2D208D208-S210 VanDerWaalsContact CG-OG 3.31Å; D208-S210 WeakPolarHBondContact OD1-CB 3.26Å; D208-S210 PolarHBondContact OD1-N 2.84Å; D208-S210 PolarHBondContact OD1-OG 3.04Å; D208-S210 PolarHBondContact OD2-OG 3.37Å
211K69.5Low81.4Confident138 Ų13860.8 Ų60.860%0.632%0.318SS*.THydrogen-bonded Turntrans-90-4.3-178.1-64.7178.4-177.6171.20114.3M209 L213M209-K211 PolarHBondContact O-N 3.2Å; K211-L213 PolarHBondContact O-N 2.86Å
212L69.4Low81.3Confident8 Ų857.6 Ų57.64%0.04230%0.296CS..  trans-72121-177.8-78.9168.4000111.1M209 Q216 F217 V241 N242 F244 R436M209-L212 HydrophobicContact CB-CD1 3.82Å; M209-L212 HydrophobicContact CG-CD1 3.8Å; M209-L212 PolarHBondContact O-N 3.3Å; M209-L212 HydrophobicContact SD-CD1 4.29Å; L212-Q216 VanDerWaalsContact CA-OE1 3.3Å; L212-Q216 HydrophobicContact CD2-CB 3.84Å; L212-F217 HydrophobicContact CB-CE2 3.97Å; L212-F217 HydrophobicContact CD1-CE2 4.04Å; L212-F217 HydrophobicContact CD1-CZ 3.88Å; L212-F217 HydrophobicContact CG-CE2 4.45Å; L212-V241 HydrophobicContact CD1-CB 4.06Å; L212-V241 HydrophobicContact CD1-CG1 4.1Å; L212-V241 HydrophobicContact CD2-CG1 4.26Å; L212-V241 WeakPolarHBondContact CD2-O 3.3Å; L212-V241 WeakPolarHBondContact CG-O 3.41Å; L212-N242 VanDerWaalsContact CD2-C 3.48Å; L212-N242 WeakPolarHBondContact CD2-O 3.47Å; L212-F244 HydrophobicContact CD1-CD2 3.65Å; L212-F244 HydrophobicContact CD1-CE2 3.37Å; L212-R436 PolarHBondContact O-NH1 2.86Å
213L62.2Low81.2Confident116 Ų11655.3 Ų55.361%0.60728%0.281SS*.  trans-90.4160.7170.2-65.2174.7000111K211 H215 Q216K211-L213 PolarHBondContact O-N 2.86Å; L213-H215 PolarHBondContact O-N 2.77Å; L213-H215 VanDerWaalsContact O-N 3.14Å; L213-Q216 WeakPolarHBondContact O-CB 3.4Å; L213-Q216 PolarHBondContact O-N 2.79Å
214F55.7Low81.1Confident132 Ų13255.6 Ų55.658%0.57928%0.277SS*.G310 helixtrans-54.1-34.1-179.6-74.3-79.2000114Q216 N439F214-Q216 PolarHBondContact O-N 2.94Å; F214-N439 PolarHBondContact O-ND2 2.95Å; F214-N439 PolarHBondContact O-OD1 2.97Å
215H58Low81Confident161 Ų16153.3 Ų53.375%0.74526%0.263SS*.G310 helixtrans-74.8-9.2-179.4-61.2-64.6000114.6L213L213-H215 PolarHBondContact O-N 2.77Å; L213-H215 VanDerWaalsContact O-N 3.14Å
216Q64Low81Confident68 Ų6853.1 Ų53.132%0.31826%0.262SS..G310 helixtrans-92.6-3.6-179.2-72.5171-32.800113.2L212 L213 F214 N242 G243 F244L212-Q216 VanDerWaalsContact CA-OE1 3.3Å; L212-Q216 HydrophobicContact CD2-CB 3.84Å; L213-Q216 WeakPolarHBondContact O-CB 3.4Å; L213-Q216 PolarHBondContact O-N 2.79Å; F214-Q216 PolarHBondContact O-N 2.94Å; Q216-N242 VanDerWaalsContact CB-O 3.24Å; Q216-N242 WeakPolarHBondContact CB-O 3.38Å; Q216-N242 WeakPolarHBondContact CG-O 3.4Å; Q216-N242 PolarHBondContact NE2-O 2.97Å; Q216-N242 PolarHBondContact OE1-O 3.37Å; Q216-G243 VanDerWaalsContact O-CA 3.31Å; Q216-G243 WeakPolarHBondContact O-CA 3.44Å; Q216-F244 PolarHBondContact O-N 3.16Å
217F73.7Confident81.1Confident20 Ų2050 Ų509%0.08825%0.247CC..BIsolated β-bridgetrans-95.1121.9167.4-73.2-94.9000109.4L212 Y222 F244L212-F217 HydrophobicContact CB-CE2 3.97Å; L212-F217 HydrophobicContact CD1-CE2 4.04Å; L212-F217 HydrophobicContact CD1-CZ 3.88Å; L212-F217 HydrophobicContact CG-CE2 4.45Å; F217-Y222 HydrophobicContact CB-CE2 4.03Å; F217-Y222 AromaticContact CD1-CD2 3.6Å; F217-Y222 HydrophobicContact CD1-CD2 3.6Å; F217-Y222 AromaticContact CD1-CE2 3.71Å; F217-Y222 HydrophobicContact CD1-CE2 3.71Å; F217-Y222 HydrophobicContact CD1-CG 4.03Å; F217-Y222 HydrophobicContact CE1-CD2 4.31Å; F217-Y222 HydrophobicContact CE1-CG 4.35Å; F217-Y222 HydrophobicContact CG-CE2 4.36Å; F217-F244 HydrophobicContact CD1-CB 3.84Å; F217-F244 AromaticContact CD1-CD2 3.99Å; F217-F244 HydrophobicContact CD1-CD2 3.99Å; F217-F244 HydrophobicContact CD1-CG 4.34Å; F217-F244 HydrophobicContact CE1-CB 4Å; F217-F244 AromaticContact CE1-CD2 3.29Å; F217-F244 HydrophobicContact CE1-CD2 3.29Å; F217-F244 HydrophobicContact CE1-CE2 4.02Å; F217-F244 AromaticContact CE1-CG 3.98Å; F217-F244 HydrophobicContact CE1-CG 3.98Å; F217-F244 HydrophobicContact CE2-CD2 4.45Å; F217-F244 AromaticContact CZ-CD2 3.57Å; F217-F244 HydrophobicContact CZ-CD2 3.57Å; F217-F244 HydrophobicContact CZ-CE2 4.03Å
218H82.2Confident81.2Confident133 Ų13349.6 Ų49.662%0.61625%0.245SC*.  trans-65.6161.1168.6-76.9-92.3000111G220 Y222 F244H218-G220 PolarHBondContact O-N 2.97Å; H218-Y222 PolarHBondContact N-OH 3.31Å; H218-Y222 WeakPolarHBondContact O-CE2 3.33Å; H218-Y222 PolarHBondContact O-OH 3.01Å; H218-F244 PolarHBondContact CD2-O 3.02Å; H218-F244 PolarHBondContact N-O 2.76Å
219N86.4Confident81.5Confident71 Ų7148.4 Ų48.438%0.3824%0.239SC..SBendtrans-60.4110.3-177.3-68.1-32.4000113.3L442 K450N219-L442 HydrophobicContact CB-CD2 4.14Å; N219-K450 HydrophobicContact CB-CD 4.06Å
220G88.5Confident82Confident3 Ų347.7 Ų47.73%0.03124%0.235CC..SBendtrans171.2-173.9158.100000112H218 H447H218-G220 PolarHBondContact O-N 2.97Å; G220-H447 WeakPolarHBondContact CA-ND1 3.26Å; G220-H447 PolarHBondContact N-ND1 3.18Å
221L91.8Very high82.7Confident0 Ų046.8 Ų46.80%022%0.221CC..  trans-96.4101.2178.9-65.2-179.1000109.6T223 M430 P438 H447 F448 T451L221-T223 PolarHBondContact O-N 3.49Å; L221-M430 HydrophobicContact CD1-CB 4.06Å; L221-P438 HydrophobicContact CD2-CB 4.03Å; L221-P438 HydrophobicContact CD2-CG 3.61Å; L221-H447 HydrophobicContact CD2-CB 4.01Å; L221-H447 HydrophobicContact CG-CB 3.9Å; L221-F448 HydrophobicContact CD1-CB 3.92Å; L221-F448 HydrophobicContact CD1-CD2 4.46Å; L221-T451 PolarHBondContact N-OG1 3.08Å; L221-T451 VanDerWaalsContact O-CG2 3.23Å; L221-T451 WeakPolarHBondContact O-CG2 3.48Å
222Y92.1Very high83.7Confident8 Ų840.2 Ų40.23%0.03119%0.192CC..  trans-82.6104176.2-61.4-89.9000109.5F217 H218 V228 F244 F246 C434 V435F217-Y222 HydrophobicContact CB-CE2 4.03Å; F217-Y222 AromaticContact CD1-CD2 3.6Å; F217-Y222 HydrophobicContact CD1-CD2 3.6Å; F217-Y222 AromaticContact CD1-CE2 3.71Å; F217-Y222 HydrophobicContact CD1-CE2 3.71Å; F217-Y222 HydrophobicContact CD1-CG 4.03Å; F217-Y222 HydrophobicContact CE1-CD2 4.31Å; F217-Y222 HydrophobicContact CE1-CG 4.35Å; F217-Y222 HydrophobicContact CG-CE2 4.36Å; H218-Y222 PolarHBondContact N-OH 3.31Å; H218-Y222 WeakPolarHBondContact O-CE2 3.33Å; H218-Y222 PolarHBondContact O-OH 3.01Å; Y222-V228 HydrophobicContact CD1-CG1 3.68Å; Y222-V228 HydrophobicContact CE1-CG1 3.93Å; Y222-F244 HydrophobicContact CD1-CB 4.45Å; Y222-F244 HydrophobicContact CE1-CB 3.97Å; Y222-F244 PolarHBondContact OH-O 3.38Å; Y222-F244 VanDerWaalsContact OH-O 3.12Å; Y222-F246 AromaticContact CD1-CE1 3.76Å; Y222-F246 HydrophobicContact CD1-CE1 3.76Å; Y222-F246 HydrophobicContact CD1-CE2 4.16Å; Y222-F246 AromaticContact CD1-CZ 3.55Å; Y222-F246 HydrophobicContact CD1-CZ 3.55Å; Y222-F246 HydrophobicContact CD2-CZ 4.45Å; Y222-F246 HydrophobicContact CE1-CD1 4.1Å; Y222-F246 HydrophobicContact CE1-CD2 4.14Å; Y222-F246 AromaticContact CE1-CE1 3.76Å; Y222-F246 HydrophobicContact CE1-CE1 3.76Å; Y222-F246 AromaticContact CE1-CE2 3.78Å; Y222-F246 HydrophobicContact CE1-CE2 3.78Å; Y222-F246 HydrophobicContact CE1-CG 4.29Å; Y222-F246 AromaticContact CE1-CZ 3.58Å; Y222-F246 HydrophobicContact CE1-CZ 3.58Å; Y222-F246 HydrophobicContact CE2-CE2 4.21Å; Y222-F246 HydrophobicContact CE2-CZ 4.46Å; Y222-F246 HydrophobicContact CG-CZ 4.01Å; Y222-F246 AromaticContact CZ-CE2 3.8Å; Y222-C434 CarbonylContact O-C 3.56Å; Y222-C434 VanDerWaalsContact O-CA 3.26Å; Y222-C434 WeakPolarHBondContact O-CA 3.45Å; Y222-V435 PolarHBondContact O-N 3.21Å
223T92.5Very high84.8Confident0 Ų042 Ų420%020%0.199CC..BIsolated β-bridgetrans-102.4165.3176.254.90000111.7L221 C226 M430 N433 P460 L461L221-T223 PolarHBondContact O-N 3.49Å; T223-C226 WeakPolarHBondContact O-CB 3.41Å; T223-C226 PolarHBondContact O-N 2.87Å; T223-C226 PolarHBondContact OG1-SG 2.92Å; T223-M430 HydrophobicContact CG2-CB 3.91Å; T223-M430 HydrophobicContact CG2-CE 4.15Å; T223-M430 HydrophobicContact CG2-CG 4.37Å; T223-M430 VanDerWaalsContact CG2-O 3.3Å; T223-M430 WeakPolarHBondContact CG2-O 3.2Å; T223-N433 WeakPolarHBondContact CA-O 3.38Å; T223-N433 WeakPolarHBondContact CB-O 3.46Å; T223-P460 PolarHBondContact OG1-O 3.3Å; T223-L461 HydrophobicContact CG2-CD2 4.04Å
224E90.7Very high86.2Confident26 Ų2636.9 Ų36.912%0.12117%0.171CC..THydrogen-bonded Turntrans-56.2143.8162.8-168.2-179.6156.100110.1C226 N433 P462 Y464E224-C226 PolarHBondContact O-N 2.78Å; E224-N433 PolarHBondContact N-O 2.8Å; E224-N433 VanDerWaalsContact N-O 3.08Å; E224-P462 HydrophobicContact CB-CG 3.76Å; E224-P462 HydrophobicContact CG-CG 3.77Å; E224-P462 WeakPolarHBondContact O-CD 3.38Å; E224-Y464 VanDerWaalsContact CD-OH 3.28Å; E224-Y464 PolarHBondContact OE2-OH 2.66Å
225S92.8Very high87.9Confident7 Ų733.4 Ų33.45%0.04916%0.157CC..THydrogen-bonded Turntrans66.58.3-173.6-55.30000116.3I188 P462I188-S225 WeakPolarHBondContact O-CA 3.28Å; I188-S225 PolarHBondContact O-N 3.48Å; S225-P462 WeakPolarHBondContact OG-CA 3.49Å; S225-P462 WeakPolarHBondContact OG-CG 3.26Å
226C94.6Very high89.3Confident0 Ų032.6 Ų32.60%016%0.158CC..  trans-73.5141.9165.7-89.90000111.1M187 I188 T223 E224 F246M187-C226 WeakPolarHBondContact CA-O 3.48Å; I188-C226 PolarHBondContact N-O 3.05Å; T223-C226 WeakPolarHBondContact O-CB 3.41Å; T223-C226 PolarHBondContact O-N 2.87Å; T223-C226 PolarHBondContact OG1-SG 2.92Å; E224-C226 PolarHBondContact O-N 2.78Å; C226-F246 HydrophobicContact CB-CE1 4.16Å
227F96.8Very high90.5Very high7 Ų733.1 Ų33.13%0.03117%0.169CC..EExtended strand (participates in β ladder)trans-86.5129.5169.3-67-87.5000110.5R134 Y135 L138 G186 M187 F246 P247 Q455R134-F227 HydrophobicContact CB-CD2 4.47Å; R134-F227 HydrophobicContact CB-CE2 3.51Å; R134-F227 HydrophobicContact CB-CZ 3.81Å; Y135-F227 AromaticContact CD2-CD1 3.92Å; Y135-F227 HydrophobicContact CD2-CD1 3.92Å; Y135-F227 AromaticContact CD2-CE1 3.76Å; Y135-F227 HydrophobicContact CD2-CE1 3.76Å; Y135-F227 HydrophobicContact CG-CE1 4.19Å; L138-F227 HydrophobicContact CD1-CB 3.41Å; L138-F227 VanDerWaalsContact CD1-CB 3.41Å; L138-F227 HydrophobicContact CD1-CD2 3.61Å; L138-F227 HydrophobicContact CD1-CG 3.6Å; G186-F227 CarbonylContact O-C 3.58Å; G186-F227 VanDerWaalsContact O-CA 3.32Å; G186-F227 WeakPolarHBondContact O-CA 3.48Å; M187-F227 HydrophobicContact CB-CD1 3.9Å; M187-F227 HydrophobicContact CB-CE1 3.64Å; M187-F227 HydrophobicContact CB-CZ 4.13Å; M187-F227 HydrophobicContact CG-CE1 4.3Å; M187-F227 HydrophobicContact CG-CZ 4.32Å; M187-F227 HydrophobicContact SD-CE1 4.48Å; M187-F227 HydrophobicContact SD-CZ 4.04Å; F227-F246 WeakPolarHBondContact O-CD1 3.34Å; F227-P247 WeakPolarHBondContact O-CD 3.5Å; F227-Q455 PolarHBondContact O-NE2 2.95Å
228V95.6Very high91.4Very high0 Ų033.7 Ų33.70%017%0.174CC..EExtended strand (participates in β ladder)trans-133153.8-174.9-620000110.8L185 G186 I188 L198 Y222 A230 F244 G245 F246L185-V228 WeakPolarHBondContact CA-O 3.44Å; G186-V228 PolarHBondContact N-O 2.88Å; G186-V228 PolarHBondContact O-N 2.84Å; I188-V228 HydrophobicContact CD1-CB 4.37Å; I188-V228 HydrophobicContact CD1-CG1 3.62Å; I188-V228 HydrophobicContact CD1-CG2 3.83Å; I188-V228 HydrophobicContact CG1-CG1 4.21Å; I188-V228 HydrophobicContact CG1-CG2 3.69Å; L198-V228 HydrophobicContact CD1-CG2 3.89Å; Y222-V228 HydrophobicContact CD1-CG1 3.68Å; Y222-V228 HydrophobicContact CE1-CG1 3.93Å; V228-A230 HydrophobicContact CG2-CB 4.49Å; V228-F244 HydrophobicContact CB-CD1 3.94Å; V228-F244 HydrophobicContact CB-CE1 4.46Å; V228-F244 HydrophobicContact CG1-CD1 4.45Å; V228-F244 HydrophobicContact CG2-CD1 3.61Å; V228-F244 HydrophobicContact CG2-CE1 3.64Å; V228-G245 CarbonylContact C-O 3.6Å; V228-G245 WeakPolarHBondContact CA-O 3.46Å; V228-F246 HydrophobicContact CG1-CD1 4.28Å; V228-F246 HydrophobicContact CG1-CE1 4.09Å
229L95Very high91.9Very high16 Ų1627.3 Ų27.38%0.08415%0.145CC..EExtended strand (participates in β ladder)trans-90.1107.1161.2-65.1175.5000107.3T142 F148 L166 I183 V184 L185 G245T142-L229 HydrophobicContact CG2-CD1 4.33Å; T142-L229 HydrophobicContact CG2-CD2 4.27Å; F148-L229 HydrophobicContact CE1-CD1 4.4Å; F148-L229 HydrophobicContact CE2-CD1 4.09Å; F148-L229 HydrophobicContact CZ-CD1 3.6Å; L166-L229 HydrophobicContact CD2-CD2 3.68Å; I183-L229 HydrophobicContact CG2-CB 4.31Å; I183-L229 HydrophobicContact CG2-CD2 4.3Å; V184-L229 WeakPolarHBondContact O-CA 3.36Å; L185-L229 HydrophobicContact CB-CD2 3.88Å; L185-L229 HydrophobicContact CD1-CD2 3.93Å; L185-L229 HydrophobicContact CG-CD2 4.47Å; L229-G245 PolarHBondContact N-O 2.8Å; L229-G245 PolarHBondContact O-N 2.8Å
230A93.3Very high92.2Very high0 Ų025.4 Ų25.40%013%0.133CC..EExtended strand (participates in β ladder)trans-98.9114.817800000108.9I183 V184 L198 V228 F239 V241 F244I183-A230 WeakPolarHBondContact CA-O 3.35Å; V184-A230 PolarHBondContact N-O 2.78Å; V184-A230 PolarHBondContact O-N 2.89Å; L198-A230 HydrophobicContact CD2-CB 3.98Å; V228-A230 HydrophobicContact CG2-CB 4.49Å; A230-F239 HydrophobicContact CB-CE1 3.72Å; A230-V241 HydrophobicContact CB-CG1 4.35Å; A230-V241 HydrophobicContact CB-CG2 4.47Å; A230-F244 HydrophobicContact CB-CD1 3.94Å; A230-F244 HydrophobicContact CB-CE1 3.64Å
231E92.1Very high92.3Very high68 Ų6825.3 Ų25.332%0.31813%0.132SC..EExtended strand (participates in β ladder)trans-97.1132.9175-174.1-163.2145.100109E181 V182 I183 V241 N242 G243E181-E231 HydrophobicContact CG-CG 4.41Å; V182-E231 WeakPolarHBondContact O-CA 3.36Å; I183-E231 HydrophobicContact CD1-CG 4.41Å; I183-E231 HydrophobicContact CG1-CB 4.01Å; I183-E231 HydrophobicContact CG1-CG 3.85Å; E231-V241 WeakPolarHBondContact O-CG1 3.47Å; E231-N242 PolarHBondContact O-N 3.48Å; E231-G243 PolarHBondContact N-O 2.91Å; E231-G243 PolarHBondContact O-N 3.13Å; E231-G243 VanDerWaalsContact O-N 3.14Å
232G91.5Very high92.1Very high0 Ų028.4 Ų28.40%015%0.149CC..EExtended strand (participates in β ladder)trans179.4-160.3-176.900000113.5G180 E181 V182 H240G180-G232 VanDerWaalsContact O-O 3.07Å; E181-G232 CarbonylContact C-O 3.58Å; E181-G232 WeakPolarHBondContact CA-O 3.37Å; V182-G232 WeakPolarHBondContact CG2-O 3.4Å; V182-G232 PolarHBondContact N-O 3.2Å; V182-G232 PolarHBondContact O-N 2.84Å; G232-H240 CarbonylContact C-O 3.58Å; G232-H240 WeakPolarHBondContact CA-O 3.25Å
233W91.2Very high91.9Very high47 Ų4728.5 Ų28.518%0.17815%0.153CC..EExtended strand (participates in β ladder)trans-131.6153.517556.3-83000110.4L179 G180 E235 F239 H240L179-W233 WeakPolarHBondContact O-CA 2.88Å; L179-W233 VanDerWaalsContact O-CB 3.29Å; L179-W233 WeakPolarHBondContact O-CB 3.43Å; G180-W233 VanDerWaalsContact O-CA 3.31Å; G180-W233 WeakPolarHBondContact O-CA 3.3Å; W233-E235 HydrophobicContact CE3-CB 3.9Å; W233-E235 HydrophobicContact CZ3-CB 3.5Å; W233-E235 HydrophobicContact CZ3-CG 4.31Å; W233-E235 WeakPolarHBondContact CZ3-OE2 3.46Å; W233-F239 VanDerWaalsContact O-CD2 3.31Å; W233-F239 WeakPolarHBondContact O-CD2 3.49Å; W233-H240 HydrophobicContact CD2-CB 3.85Å; W233-H240 VanDerWaalsContact CE2-CB 3.42Å; W233-H240 AromaticContact CE2-CG 3.8Å; W233-H240 HydrophobicContact CE3-CB 4.31Å; W233-H240 AromaticContact CE3-CD2 3.63Å; W233-H240 HydrophobicContact CG-CB 4.34Å; W233-H240 HydrophobicContact CH2-CB 4.08Å; W233-H240 AromaticContact CH2-CD2 3.18Å; W233-H240 WeakPolarHBondContact CH2-CD2 3.29Å; W233-H240 AromaticContact CH2-CE1 3.94Å; W233-H240 AromaticContact CH2-CG 3.48Å; W233-H240 VanDerWaalsContact CH2-CG 3.48Å; W233-H240 AromaticContact CH2-ND1 3.94Å; W233-H240 AromaticContact CH2-NE2 3.5Å; W233-H240 WeakPolarHBondContact CH2-NE2 3.42Å; W233-H240 HydrophobicContact CZ2-CB 3.57Å; W233-H240 AromaticContact CZ2-CD2 3.65Å; W233-H240 AromaticContact CZ2-CG 3.45Å; W233-H240 VanDerWaalsContact CZ2-CG 3.45Å; W233-H240 AromaticContact CZ2-ND1 3.97Å; W233-H240 HydrophobicContact CZ3-CB 4.4Å; W233-H240 AromaticContact CZ3-CD2 3.16Å; W233-H240 WeakPolarHBondContact CZ3-CD2 3.5Å; W233-H240 AromaticContact CZ3-CG 3.87Å; W233-H240 AromaticContact CZ3-NE2 3.65Å; W233-H240 PolarHBondContact N-O 3.01Å; W233-H240 PolarHBondContact O-N 3.43Å
234Y92.6Very high91.8Very high7 Ų728.6 Ų28.63%0.02715%0.153CC..EExtended strand (participates in β ladder)trans-120.3129.2-174173.6-94.7000110.8L172 L173 K178 L179 V205 S237 V238 F239L172-Y234 HydrophobicContact CB-CD1 4.28Å; L172-Y234 HydrophobicContact CB-CD2 4.08Å; L172-Y234 HydrophobicContact CB-CE1 4.41Å; L172-Y234 HydrophobicContact CB-CE2 4.2Å; L172-Y234 HydrophobicContact CB-CG 4.11Å; L172-Y234 HydrophobicContact CD1-CD2 4.4Å; L172-Y234 WeakPolarHBondContact O-CE1 3.4Å; L173-Y234 HydrophobicContact CD2-CE2 4.49Å; K178-Y234 WeakPolarHBondContact CA-O 3.19Å; L179-Y234 HydrophobicContact CD1-CD1 4.23Å; L179-Y234 PolarHBondContact N-O 3.07Å; L179-Y234 PolarHBondContact O-N 3.34Å; V205-Y234 HydrophobicContact CG2-CD2 4.16Å; V205-Y234 HydrophobicContact CG2-CE2 3.79Å; Y234-S237 WeakPolarHBondContact OH-CA 3.42Å; Y234-V238 WeakPolarHBondContact CD2-O 3.46Å; Y234-F239 HydrophobicContact CD2-CB 4.29Å
235E91.6Very high91.8Very high60 Ų6028 Ų2828%0.2815%0.153SC..EExtended strand (participates in β ladder)trans-150.4140.9179.3-170.6162.9-114.700109K178 W233 S237 V238K178-E235 VanDerWaalsContact CD-OE1 3.28Å; K178-E235 WeakPolarHBondContact CD-OE1 3.47Å; K178-E235 HydrophobicContact CG-CB 4.31Å; K178-E235 HydrophobicContact CG-CG 4.43Å; K178-E235 IonicContact NZ-OE1 2.79Å; K178-E235 PolarHBondContact NZ-OE1 3.41Å; K178-E235 IonicContact NZ-OE2 3.27Å; K178-E235 PolarHBondContact NZ-OE2 2.9Å; W233-E235 HydrophobicContact CE3-CB 3.9Å; W233-E235 HydrophobicContact CZ3-CB 3.5Å; W233-E235 HydrophobicContact CZ3-CG 4.31Å; W233-E235 WeakPolarHBondContact CZ3-OE2 3.46Å; E235-S237 VanDerWaalsContact C-N 3.3Å; E235-S237 PolarHBondContact O-N 3.23Å; E235-S237 VanDerWaalsContact O-N 3.12Å; E235-V238 PolarHBondContact N-O 2.71Å; E235-V238 VanDerWaalsContact N-O 3.12Å; E235-V238 PolarHBondContact O-N 3.45Å
236D87.1Confident91.9Very high144 Ų14428.8 Ų28.877%0.7716%0.156SC*.THydrogen-bonded Turntrans49.343.1171.4-60.6-25.1000115.4V238D236-V238 PolarHBondContact O-N 3.44Å
237S88.6Confident91.8Very high79 Ų7928.8 Ų28.855%0.55216%0.156SC*.THydrogen-bonded Turntrans66.613.7-178.7-48.40000115.8Y234 E235Y234-S237 WeakPolarHBondContact OH-CA 3.42Å; E235-S237 VanDerWaalsContact C-N 3.3Å; E235-S237 PolarHBondContact O-N 3.23Å; E235-S237 VanDerWaalsContact O-N 3.12Å
238V92Very high91.6Very high31 Ų3129.7 Ų29.719%0.18816%0.163CC..EExtended strand (participates in β ladder)trans-119.8132.8176.3-177.40000109.6D208 Y234 E235 D236D208-V238 HydrophobicContact CB-CG1 3.68Å; Y234-V238 WeakPolarHBondContact CD2-O 3.46Å; E235-V238 PolarHBondContact N-O 2.71Å; E235-V238 VanDerWaalsContact N-O 3.12Å; E235-V238 PolarHBondContact O-N 3.45Å; D236-V238 PolarHBondContact O-N 3.44Å
239F93.3Very high91.5Very high0 Ų031.3 Ų31.30%017%0.173CC..EExtended strand (participates in β ladder)trans-98.1111.4173.8-173.4-134000110L172 V182 V184 L198 V205 Q206 L207 D208 A230 W233 Y234 V241L172-F239 HydrophobicContact CD1-CD2 4.32Å; L172-F239 HydrophobicContact CD1-CG 4.5Å; V182-F239 HydrophobicContact CG2-CD2 4.31Å; V182-F239 HydrophobicContact CG2-CE2 3.4Å; V182-F239 HydrophobicContact CG2-CZ 3.97Å; V184-F239 HydrophobicContact CG2-CE1 4.42Å; V184-F239 HydrophobicContact CG2-CZ 4.38Å; L198-F239 HydrophobicContact CD2-CD1 4.46Å; L198-F239 HydrophobicContact CD2-CE1 4.47Å; V205-F239 HydrophobicContact CG1-CB 4.18Å; V205-F239 HydrophobicContact CG2-CB 3.94Å; Q206-F239 PolarHBondContact O-N 3.34Å; L207-F239 HydrophobicContact CD2-CB 4.14Å; L207-F239 HydrophobicContact CD2-CD1 3.58Å; L207-F239 HydrophobicContact CD2-CG 4.31Å; D208-F239 PolarHBondContact N-O 2.87Å; A230-F239 HydrophobicContact CB-CE1 3.72Å; W233-F239 VanDerWaalsContact O-CD2 3.31Å; W233-F239 WeakPolarHBondContact O-CD2 3.49Å; Y234-F239 HydrophobicContact CD2-CB 4.29Å; F239-V241 HydrophobicContact CD1-CG2 4Å; F239-V241 HydrophobicContact CE1-CG2 4.1Å
240H91.8Very high91.4Very high30 Ų3031.6 Ų31.614%0.13917%0.174CC..EExtended strand (participates in β ladder)trans-91112.1-179.8-61.9-87.3000109.4D208 G232 W233D208-H240 WeakPolarHBondContact CB-ND1 3.5Å; D208-H240 IonicContact OD2-CE1 2.71Å; D208-H240 PolarHBondContact OD2-CE1 3.25Å; D208-H240 VanDerWaalsContact OD2-CE1 3.27Å; D208-H240 IonicContact OD2-ND1 3.13Å; D208-H240 PolarHBondContact OD2-ND1 3.29Å; G232-H240 CarbonylContact C-O 3.58Å; G232-H240 WeakPolarHBondContact CA-O 3.25Å; W233-H240 HydrophobicContact CD2-CB 3.85Å; W233-H240 VanDerWaalsContact CE2-CB 3.42Å; W233-H240 AromaticContact CE2-CG 3.8Å; W233-H240 HydrophobicContact CE3-CB 4.31Å; W233-H240 AromaticContact CE3-CD2 3.63Å; W233-H240 HydrophobicContact CG-CB 4.34Å; W233-H240 HydrophobicContact CH2-CB 4.08Å; W233-H240 AromaticContact CH2-CD2 3.18Å; W233-H240 WeakPolarHBondContact CH2-CD2 3.29Å; W233-H240 AromaticContact CH2-CE1 3.94Å; W233-H240 AromaticContact CH2-CG 3.48Å; W233-H240 VanDerWaalsContact CH2-CG 3.48Å; W233-H240 AromaticContact CH2-ND1 3.94Å; W233-H240 AromaticContact CH2-NE2 3.5Å; W233-H240 WeakPolarHBondContact CH2-NE2 3.42Å; W233-H240 HydrophobicContact CZ2-CB 3.57Å; W233-H240 AromaticContact CZ2-CD2 3.65Å; W233-H240 AromaticContact CZ2-CG 3.45Å; W233-H240 VanDerWaalsContact CZ2-CG 3.45Å; W233-H240 AromaticContact CZ2-ND1 3.97Å; W233-H240 HydrophobicContact CZ3-CB 4.4Å; W233-H240 AromaticContact CZ3-CD2 3.16Å; W233-H240 WeakPolarHBondContact CZ3-CD2 3.5Å; W233-H240 AromaticContact CZ3-CG 3.87Å; W233-H240 AromaticContact CZ3-NE2 3.65Å; W233-H240 PolarHBondContact N-O 3.01Å; W233-H240 PolarHBondContact O-N 3.43Å
241V90.8Very high91.3Very high2 Ų232.8 Ų32.81%0.01218%0.182CC..EExtended strand (participates in β ladder)trans-89129.5-172.4-173.60000110.3L207 D208 L212 A230 E231 F239 G243 F244L207-V241 HydrophobicContact CD2-CG2 3.71Å; D208-V241 PolarHBondContact O-N 3.34Å; L212-V241 HydrophobicContact CD1-CB 4.06Å; L212-V241 HydrophobicContact CD1-CG1 4.1Å; L212-V241 HydrophobicContact CD2-CG1 4.26Å; L212-V241 WeakPolarHBondContact CD2-O 3.3Å; L212-V241 WeakPolarHBondContact CG-O 3.41Å; A230-V241 HydrophobicContact CB-CG1 4.35Å; A230-V241 HydrophobicContact CB-CG2 4.47Å; E231-V241 WeakPolarHBondContact O-CG1 3.47Å; F239-V241 HydrophobicContact CD1-CG2 4Å; F239-V241 HydrophobicContact CE1-CG2 4.1Å; V241-G243 VanDerWaalsContact CG1-O 3.29Å; V241-G243 WeakPolarHBondContact CG1-O 3.42Å; V241-F244 HydrophobicContact CB-CE2 4.27Å; V241-F244 HydrophobicContact CB-CZ 4.25Å; V241-F244 HydrophobicContact CG1-CD1 4.28Å; V241-F244 HydrophobicContact CG1-CD2 3.94Å; V241-F244 HydrophobicContact CG1-CE1 4.06Å; V241-F244 HydrophobicContact CG1-CE2 3.74Å; V241-F244 HydrophobicContact CG1-CG 4.24Å; V241-F244 HydrophobicContact CG1-CZ 3.8Å; V241-F244 HydrophobicContact CG2-CE1 4.48Å; V241-F244 HydrophobicContact CG2-CE2 4.47Å; V241-F244 HydrophobicContact CG2-CZ 3.98Å
242N88.3Confident91.3Very high64 Ų6430.2 Ų30.234%0.34217%0.171SC..EExtended strand (participates in β ladder)trans-94.5-30173.1-69.2-17.3000112.2L212 Q216 E231L212-N242 VanDerWaalsContact CD2-C 3.48Å; L212-N242 WeakPolarHBondContact CD2-O 3.47Å; Q216-N242 VanDerWaalsContact CB-O 3.24Å; Q216-N242 WeakPolarHBondContact CB-O 3.38Å; Q216-N242 WeakPolarHBondContact CG-O 3.4Å; Q216-N242 PolarHBondContact NE2-O 2.97Å; Q216-N242 PolarHBondContact OE1-O 3.37Å; E231-N242 PolarHBondContact O-N 3.48Å
243G87.6Confident91.2Very high11 Ų1133 Ų3311%0.11319%0.191CC..EExtended strand (participates in β ladder)trans-158.4149.8-179.700000113.3Q216 E231 V241Q216-G243 VanDerWaalsContact O-CA 3.31Å; Q216-G243 WeakPolarHBondContact O-CA 3.44Å; E231-G243 PolarHBondContact N-O 2.91Å; E231-G243 PolarHBondContact O-N 3.13Å; E231-G243 VanDerWaalsContact O-N 3.14Å; V241-G243 VanDerWaalsContact CG1-O 3.29Å; V241-G243 WeakPolarHBondContact CG1-O 3.42Å
244F89.8Confident91.2Very high1 Ų132.8 Ų32.80%0.00420%0.199CC..EExtended strand (participates in β ladder)trans-118.3126.9172.2-78.4-69.4000110.5I188 L207 M209 L212 Q216 F217 H218 Y222 V228 A230 V241I188-F244 HydrophobicContact CD1-CE1 4.34Å; L207-F244 HydrophobicContact CD1-CZ 4.22Å; M209-F244 HydrophobicContact CE-CE2 4.39Å; M209-F244 HydrophobicContact CE-CZ 4.21Å; M209-F244 HydrophobicContact CG-CE2 4.09Å; M209-F244 HydrophobicContact CG-CZ 4.41Å; M209-F244 HydrophobicContact SD-CE2 3.68Å; M209-F244 HydrophobicContact SD-CZ 4.08Å; L212-F244 HydrophobicContact CD1-CD2 3.65Å; L212-F244 HydrophobicContact CD1-CE2 3.37Å; Q216-F244 PolarHBondContact O-N 3.16Å; F217-F244 HydrophobicContact CD1-CB 3.84Å; F217-F244 AromaticContact CD1-CD2 3.99Å; F217-F244 HydrophobicContact CD1-CD2 3.99Å; F217-F244 HydrophobicContact CD1-CG 4.34Å; F217-F244 HydrophobicContact CE1-CB 4Å; F217-F244 AromaticContact CE1-CD2 3.29Å; F217-F244 HydrophobicContact CE1-CD2 3.29Å; F217-F244 HydrophobicContact CE1-CE2 4.02Å; F217-F244 AromaticContact CE1-CG 3.98Å; F217-F244 HydrophobicContact CE1-CG 3.98Å; F217-F244 HydrophobicContact CE2-CD2 4.45Å; F217-F244 AromaticContact CZ-CD2 3.57Å; F217-F244 HydrophobicContact CZ-CD2 3.57Å; F217-F244 HydrophobicContact CZ-CE2 4.03Å; H218-F244 PolarHBondContact CD2-O 3.02Å; H218-F244 PolarHBondContact N-O 2.76Å; Y222-F244 HydrophobicContact CD1-CB 4.45Å; Y222-F244 HydrophobicContact CE1-CB 3.97Å; Y222-F244 PolarHBondContact OH-O 3.38Å; Y222-F244 VanDerWaalsContact OH-O 3.12Å; V228-F244 HydrophobicContact CB-CD1 3.94Å; V228-F244 HydrophobicContact CB-CE1 4.46Å; V228-F244 HydrophobicContact CG1-CD1 4.45Å; V228-F244 HydrophobicContact CG2-CD1 3.61Å; V228-F244 HydrophobicContact CG2-CE1 3.64Å; A230-F244 HydrophobicContact CB-CD1 3.94Å; A230-F244 HydrophobicContact CB-CE1 3.64Å; V241-F244 HydrophobicContact CB-CE2 4.27Å; V241-F244 HydrophobicContact CB-CZ 4.25Å; V241-F244 HydrophobicContact CG1-CD1 4.28Å; V241-F244 HydrophobicContact CG1-CD2 3.94Å; V241-F244 HydrophobicContact CG1-CE1 4.06Å; V241-F244 HydrophobicContact CG1-CE2 3.74Å; V241-F244 HydrophobicContact CG1-CG 4.24Å; V241-F244 HydrophobicContact CG1-CZ 3.8Å; V241-F244 HydrophobicContact CG2-CE1 4.48Å; V241-F244 HydrophobicContact CG2-CE2 4.47Å; V241-F244 HydrophobicContact CG2-CZ 3.98Å
245G91.8Very high91.2Very high13 Ų1332.5 Ų32.513%0.13420%0.198CC..EExtended strand (participates in β ladder)trans-121.4159.9168.600000111.2V228 L229V228-G245 CarbonylContact C-O 3.6Å; V228-G245 WeakPolarHBondContact CA-O 3.46Å; L229-G245 PolarHBondContact N-O 2.8Å; L229-G245 PolarHBondContact O-N 2.8Å
246F94.3Very high91.1Very high24 Ų2433 Ų3311%0.10520%0.198CC..PPolyproline II helixtrans-86152.1164.7-75.2-55.3000111Y222 C226 F227 V228 T451Y222-F246 AromaticContact CD1-CE1 3.76Å; Y222-F246 HydrophobicContact CD1-CE1 3.76Å; Y222-F246 HydrophobicContact CD1-CE2 4.16Å; Y222-F246 AromaticContact CD1-CZ 3.55Å; Y222-F246 HydrophobicContact CD1-CZ 3.55Å; Y222-F246 HydrophobicContact CD2-CZ 4.45Å; Y222-F246 HydrophobicContact CE1-CD1 4.1Å; Y222-F246 HydrophobicContact CE1-CD2 4.14Å; Y222-F246 AromaticContact CE1-CE1 3.76Å; Y222-F246 HydrophobicContact CE1-CE1 3.76Å; Y222-F246 AromaticContact CE1-CE2 3.78Å; Y222-F246 HydrophobicContact CE1-CE2 3.78Å; Y222-F246 HydrophobicContact CE1-CG 4.29Å; Y222-F246 AromaticContact CE1-CZ 3.58Å; Y222-F246 HydrophobicContact CE1-CZ 3.58Å; Y222-F246 HydrophobicContact CE2-CE2 4.21Å; Y222-F246 HydrophobicContact CE2-CZ 4.46Å; Y222-F246 HydrophobicContact CG-CZ 4.01Å; Y222-F246 AromaticContact CZ-CE2 3.8Å; C226-F246 HydrophobicContact CB-CE1 4.16Å; F227-F246 WeakPolarHBondContact O-CD1 3.34Å; V228-F246 HydrophobicContact CG1-CD1 4.28Å; V228-F246 HydrophobicContact CG1-CE1 4.09Å; F246-T451 HydrophobicContact CE1-CG2 4.41Å; F246-T451 HydrophobicContact CE2-CG2 4.27Å; F246-T451 HydrophobicContact CZ-CG2 3.83Å
247P93.9Very high91.2Very high0 Ų030.5 Ų30.50%020%0.196CC..PPolyproline II helixtrans-58.1136169.325.1-33000109.5L138 R141 T142 L185 F227 T249L138-P247 HydrophobicContact CB-CG 4.39Å; L138-P247 HydrophobicContact CD1-CG 4.22Å; L138-P247 HydrophobicContact CD2-CG 4.03Å; L138-P247 HydrophobicContact CG-CG 4.46Å; R141-P247 PolarHBondContact NH2-O 3.37Å; T142-P247 VanDerWaalsContact OG1-CB 3.27Å; T142-P247 WeakPolarHBondContact OG1-CB 3.3Å; L185-P247 HydrophobicContact CD1-CB 4.43Å; F227-P247 WeakPolarHBondContact O-CD 3.5Å; P247-T249 PolarHBondContact O-N 3.27Å
248P92.6Very high91.1Very high27 Ų2732 Ų3218%0.17519%0.191CC..PPolyproline II helixtrans-60.4138.6-174.524.8-33.6000111R141 H145 F148R141-P248 PolarHBondContact NE-O 3.03Å; R141-P248 PolarHBondContact NH2-O 2.82Å; H145-P248 HydrophobicContact CB-CB 4.43Å; H145-P248 HydrophobicContact CB-CG 3.62Å; H145-P248 VanDerWaalsContact CD2-CB 3.4Å; H145-P248 WeakPolarHBondContact CD2-CB 3.25Å; H145-P248 VanDerWaalsContact CG-CG 3.48Å; F148-P248 HydrophobicContact CE2-CG 4.4Å
249T93.1Very high90.9Very high33 Ų3331.4 Ų31.420%0.20219%0.185CC..PPolyproline II helixtrans-74.8135.8176.9-50.50000109.8P247 L453 S454 V481 T499P247-T249 PolarHBondContact O-N 3.27Å; T249-L453 HydrophobicContact CG2-CB 4.12Å; T249-S454 PolarHBondContact OG1-OG 3.12Å; T249-V481 HydrophobicContact CG2-CG2 4.05Å; T249-T499 HydrophobicContact CG2-CG2 3.81Å
250E92.3Very high90.6Very high22 Ų2233 Ų3310%0.10320%0.201CC..PPolyproline II helixtrans-99.2131.2175.4-175.7176.77700108.8R141 R144 A254 T255 Y479 V481R141-E250 HydrophobicContact CG-CB 3.55Å; R141-E250 HydrophobicContact CG-CG 4.42Å; R144-E250 IonicContact NH1-OE2 2.63Å; E250-A254 HydrophobicContact CG-CB 3.77Å; E250-T255 PolarHBondContact OE1-OG1 2.99Å; E250-Y479 HydrophobicContact CB-CE2 4.46Å; E250-Y479 VanDerWaalsContact OE1-CE2 3.26Å; E250-Y479 WeakPolarHBondContact OE1-CE2 3.46Å; E250-Y479 PolarHBondContact OE1-OH 3.39Å; E250-V481 VanDerWaalsContact O-CG2 3.31Å; E250-V481 WeakPolarHBondContact O-CG2 3.37Å
251S92.3Very high90.4Very high25 Ų2535 Ų3518%0.17521%0.213CC..PPolyproline II helixtrans-68.7159176.767.30000111.4S253 A254 T255S251-S253 VanDerWaalsContact C-N 3.25Å; S251-S253 PolarHBondContact O-N 2.79Å; S251-S253 PolarHBondContact OG-OG 2.84Å; S251-A254 PolarHBondContact O-N 3.02Å; S251-A254 WeakPolarHBondContact OG-CB 3.06Å; S251-A254 PolarHBondContact OG-N 3.17Å; S251-T255 PolarHBondContact O-N 3.49Å; S251-T255 PolarHBondContact O-OG1 2.88Å
252S90.2Very high90.4Very high14 Ų1436.7 Ų36.710%0.09822%0.222CC..Hα-helixtrans-60.7-36.2177680000112.3T255 R256 V481S252-T255 PolarHBondContact O-N 3.26Å; S252-R256 WeakPolarHBondContact O-CG 3.47Å; S252-R256 PolarHBondContact O-N 2.59Å; S252-V481 VanDerWaalsContact CB-O 3.3Å; S252-V481 WeakPolarHBondContact CB-O 3.5Å
253S90.7Very high90.5Very high60 Ų6034 Ų3442%0.4221%0.207SC..Hα-helixtrans-65.7-44.3176.654.40000112.4S251 T255 R256 A257S251-S253 VanDerWaalsContact C-N 3.25Å; S251-S253 PolarHBondContact O-N 2.79Å; S251-S253 PolarHBondContact OG-OG 2.84Å; S253-T255 VanDerWaalsContact C-N 3.34Å; S253-R256 PolarHBondContact O-N 2.85Å; S253-A257 WeakPolarHBondContact O-CB 3.3Å; S253-A257 PolarHBondContact O-N 3.3Å
254A91.4Very high90.7Very high41 Ų4134.7 Ų34.734%0.33921%0.207SC..Hα-helixtrans-63.5-41.1175.700000111.6E250 S251 R256 A257 Y258E250-A254 HydrophobicContact CG-CB 3.77Å; S251-A254 PolarHBondContact O-N 3.02Å; S251-A254 WeakPolarHBondContact OG-CB 3.06Å; S251-A254 PolarHBondContact OG-N 3.17Å; A254-R256 PolarHBondContact O-N 2.88Å; A254-A257 PolarHBondContact O-N 2.99Å; A254-Y258 PolarHBondContact O-N 3.29Å
255T91.3Very high90.9Very high1 Ų135.1 Ų35.11%0.00621%0.209CC..Hα-helixtrans-61.6-46.1177.1-48.10000111.3E250 S251 S252 S253 Y258 Y259 Y479 P480E250-T255 PolarHBondContact OE1-OG1 2.99Å; S251-T255 PolarHBondContact O-N 3.49Å; S251-T255 PolarHBondContact O-OG1 2.88Å; S252-T255 PolarHBondContact O-N 3.26Å; S253-T255 VanDerWaalsContact C-N 3.34Å; T255-Y258 PolarHBondContact O-N 2.97Å; T255-Y259 HydrophobicContact CG2-CD2 3.78Å; T255-Y259 HydrophobicContact CG2-CE2 4.13Å; T255-Y259 WeakPolarHBondContact O-CD2 3.43Å; T255-Y259 PolarHBondContact O-N 2.76Å; T255-Y479 HydrophobicContact CG2-CE1 4.44Å; T255-Y479 HydrophobicContact CG2-CE2 3.94Å; T255-P480 HydrophobicContact CG2-CB 3.95Å; T255-P480 HydrophobicContact CG2-CG 3.79Å
256R89.2Confident90.8Very high72 Ų7234.7 Ų34.727%0.27221%0.205SC..Hα-helixtrans-66.4-37.5177-72.5-162.7-52-98.87112.7S252 S253 A254 Y258 G260 K274S252-R256 WeakPolarHBondContact O-CG 3.47Å; S252-R256 PolarHBondContact O-N 2.59Å; S253-R256 PolarHBondContact O-N 2.85Å; A254-R256 PolarHBondContact O-N 2.88Å; R256-Y258 PolarHBondContact O-N 2.86Å; R256-G260 WeakPolarHBondContact O-CA 3.32Å; R256-G260 PolarHBondContact O-N 2.98Å; R256-K274 VanDerWaalsContact NH1-CB 3.27Å
257A89.4Confident90.5Very high90 Ų9035.3 Ų35.374%0.74422%0.218SC*.Hα-helixtrans-60.4-33.5176.700000111.8S253 A254S253-A257 WeakPolarHBondContact O-CB 3.3Å; S253-A257 PolarHBondContact O-N 3.3Å; A254-A257 PolarHBondContact O-N 2.99Å
258Y88.1Confident90.1Very high110 Ų11039 Ų3943%0.43124%0.242SC..Hα-helixtrans-84.6-48-179.8-169.1-88.6000113.6R144 A254 T255 R256R144-Y258 VanDerWaalsContact NH1-CD1 3.35Å; A254-Y258 PolarHBondContact O-N 3.29Å; T255-Y258 PolarHBondContact O-N 2.97Å; R256-Y258 PolarHBondContact O-N 2.86Å
259Y87.4Confident89.7Confident20 Ų2039 Ų398%0.07824%0.243CC..Hα-helixtrans-96.6-4.3-174.1-63.8-65.5000114.5Y100 F107 Q140 R144 T255 F264 Y479Y100-Y259 HydrophobicContact CE2-CE1 4.13Å; Y100-Y259 VanDerWaalsContact CE2-OH 3.27Å; Y100-Y259 WeakPolarHBondContact CE2-OH 3.48Å; F107-Y259 AromaticContact CD2-CD1 3.95Å; F107-Y259 HydrophobicContact CD2-CD1 3.95Å; F107-Y259 HydrophobicContact CD2-CD2 4.2Å; F107-Y259 AromaticContact CD2-CE1 3.57Å; F107-Y259 HydrophobicContact CD2-CE1 3.57Å; F107-Y259 AromaticContact CD2-CE2 3.81Å; F107-Y259 HydrophobicContact CD2-CE2 3.81Å; F107-Y259 HydrophobicContact CD2-CG 4.22Å; F107-Y259 AromaticContact CD2-CZ 3.43Å; F107-Y259 VanDerWaalsContact CD2-CZ 3.43Å; F107-Y259 HydrophobicContact CE2-CD2 4.21Å; F107-Y259 AromaticContact CE2-CE1 3.89Å; F107-Y259 HydrophobicContact CE2-CE1 3.89Å; F107-Y259 AromaticContact CE2-CE2 3.47Å; F107-Y259 HydrophobicContact CE2-CE2 3.47Å; F107-Y259 VanDerWaalsContact CE2-CE2 3.47Å; F107-Y259 AromaticContact CE2-CZ 3.22Å; F107-Y259 WeakPolarHBondContact CE2-OH 3.47Å; Q140-Y259 VanDerWaalsContact CD-OH 3.25Å; Q140-Y259 PolarHBondContact OE1-OH 3.29Å; R144-Y259 VanDerWaalsContact CZ-CZ 3.49Å; R144-Y259 VanDerWaalsContact CZ-OH 3.29Å; R144-Y259 PolarHBondContact NH1-OH 3.26Å; R144-Y259 VanDerWaalsContact NH1-OH 3.15Å; R144-Y259 PolarHBondContact NH2-OH 2.84Å; T255-Y259 HydrophobicContact CG2-CD2 3.78Å; T255-Y259 HydrophobicContact CG2-CE2 4.13Å; T255-Y259 WeakPolarHBondContact O-CD2 3.43Å; T255-Y259 PolarHBondContact O-N 2.76Å; Y259-F264 HydrophobicContact CG-CZ 4.45Å; Y259-Y479 HydrophobicContact CE2-CE1 4.38Å; Y259-Y479 WeakPolarHBondContact CE2-OH 3.31Å
260G87.4Confident89Confident32 Ų3241.6 Ų41.633%0.3326%0.262SS..  trans72.5-150.8-172.700000112.6R256 I262R256-G260 WeakPolarHBondContact O-CA 3.32Å; R256-G260 PolarHBondContact O-N 2.98Å; G260-I262 PolarHBondContact O-N 2.81Å
261N87.3Confident88.6Confident73 Ų7342.8 Ų42.839%0.3927%0.271SS..SBendtrans-96.736.4-169.2-59.2-36.6000113.6N263 T271 S272 A275N261-N263 PolarHBondContact O-N 3.44Å; N261-T271 WeakPolarHBondContact O-CA 3.12Å; N261-S272 PolarHBondContact O-N 2.9Å; N261-A275 HydrophobicContact CB-CB 4.14Å; N261-A275 WeakPolarHBondContact OD1-CB 3.41Å
262I89.4Confident88.4Confident37 Ų3741.9 Ų41.919%0.1927%0.265CS..BIsolated β-bridgetrans-65.2132.2176.7-60.5173.7000109.3Y98 G260 F264Y98-I262 HydrophobicContact CD1-CG2 4.23Å; Y98-I262 HydrophobicContact CE1-CG2 3.53Å; Y98-I262 HydrophobicContact CE2-CG2 4.2Å; G260-I262 PolarHBondContact O-N 2.81Å; I262-F264 HydrophobicContact CB-CD2 4.26Å; I262-F264 HydrophobicContact CB-CE1 4.48Å; I262-F264 HydrophobicContact CB-CE2 3.74Å; I262-F264 HydrophobicContact CB-CZ 3.86Å; I262-F264 HydrophobicContact CD1-CZ 4.1Å; I262-F264 HydrophobicContact CG2-CD1 4.23Å; I262-F264 HydrophobicContact CG2-CD2 4.29Å; I262-F264 HydrophobicContact CG2-CE1 3.92Å; I262-F264 HydrophobicContact CG2-CE2 4.01Å; I262-F264 HydrophobicContact CG2-CG 4.4Å; I262-F264 HydrophobicContact CG2-CZ 3.81Å; I262-F264 WeakPolarHBondContact O-CD2 3.47Å; I262-F264 PolarHBondContact O-N 3.46Å; I262-F264 VanDerWaalsContact O-N 3.11Å
263N90.4Very high88.3Confident7 Ų741.6 Ų41.64%0.03726%0.262CS..  trans-8090173.9-171.32.9000111.4Y98 N261 F265 G266 S269Y98-N263 WeakPolarHBondContact CE2-O 3.33Å; N261-N263 PolarHBondContact O-N 3.44Å; N263-F265 PolarHBondContact OD1-N 3.44Å; N263-F265 VanDerWaalsContact OD1-N 3.09Å; N263-G266 PolarHBondContact ND2-O 2.88Å; N263-G266 PolarHBondContact OD1-N 3.44Å; N263-G266 PolarHBondContact OD1-O 3.37Å; N263-S269 PolarHBondContact ND2-O 3.06Å
264F92.6Very high88.1Confident27 Ų2740.1 Ų40.112%0.11825%0.248CC..  trans-79-21.4171.9-63.4-74000113.4Y98 F107 Y259 I262 R411 P480Y98-F264 HydrophobicContact CD2-CD1 4.06Å; Y98-F264 HydrophobicContact CD2-CE1 4.49Å; Y98-F264 HydrophobicContact CG-CD1 4.24Å; Y98-F264 HydrophobicContact CG-CE1 4.25Å; F107-F264 HydrophobicContact CB-CE1 3.68Å; F107-F264 HydrophobicContact CB-CZ 4.02Å; F107-F264 HydrophobicContact CD1-CE1 4.21Å; F107-F264 AromaticContact CD2-CE1 3.57Å; F107-F264 HydrophobicContact CD2-CE1 3.57Å; F107-F264 AromaticContact CD2-CZ 3.55Å; F107-F264 HydrophobicContact CD2-CZ 3.55Å; F107-F264 HydrophobicContact CE2-CE1 4.19Å; F107-F264 HydrophobicContact CE2-CZ 4.23Å; F107-F264 AromaticContact CG-CE1 3.56Å; F107-F264 HydrophobicContact CG-CE1 3.56Å; F107-F264 AromaticContact CG-CZ 3.97Å; F107-F264 HydrophobicContact CG-CZ 3.97Å; Y259-F264 HydrophobicContact CG-CZ 4.45Å; I262-F264 HydrophobicContact CB-CD2 4.26Å; I262-F264 HydrophobicContact CB-CE1 4.48Å; I262-F264 HydrophobicContact CB-CE2 3.74Å; I262-F264 HydrophobicContact CB-CZ 3.86Å; I262-F264 HydrophobicContact CD1-CZ 4.1Å; I262-F264 HydrophobicContact CG2-CD1 4.23Å; I262-F264 HydrophobicContact CG2-CD2 4.29Å; I262-F264 HydrophobicContact CG2-CE1 3.92Å; I262-F264 HydrophobicContact CG2-CE2 4.01Å; I262-F264 HydrophobicContact CG2-CG 4.4Å; I262-F264 HydrophobicContact CG2-CZ 3.81Å; I262-F264 WeakPolarHBondContact O-CD2 3.47Å; I262-F264 PolarHBondContact O-N 3.46Å; I262-F264 VanDerWaalsContact O-N 3.11Å; F264-R411 PolarHBondContact O-NH1 3.48Å; F264-P480 VanDerWaalsContact CB-CD 3.46Å; F264-P480 HydrophobicContact CB-CG 4.06Å; F264-P480 HydrophobicContact CD2-CG 3.49Å; F264-P480 VanDerWaalsContact CD2-CG 3.49Å; F264-P480 HydrophobicContact CE2-CG 4.18Å; F264-P480 HydrophobicContact CG-CG 3.97Å
265F93.4Very high87.8Confident9 Ų940.3 Ų40.34%0.03925%0.25CS..SBendtrans-77.5-39.5-172.7-163.2-106.8000111.5I90 N263 R411 I412 Q413 E418 I420I90-F265 HydrophobicContact CD1-CD1 3.82Å; I90-F265 HydrophobicContact CD1-CE1 4.01Å; N263-F265 PolarHBondContact OD1-N 3.44Å; N263-F265 VanDerWaalsContact OD1-N 3.09Å; F265-R411 HydrophobicContact CD1-CB 4.47Å; F265-R411 HydrophobicContact CE1-CB 3.76Å; F265-R411 HydrophobicContact CE1-CG 4.49Å; F265-R411 HydrophobicContact CE2-CB 4.11Å; F265-R411 HydrophobicContact CE2-CG 3.98Å; F265-R411 HydrophobicContact CZ-CB 3.55Å; F265-R411 HydrophobicContact CZ-CG 3.94Å; F265-R411 VanDerWaalsContact O-CD 3.28Å; F265-R411 WeakPolarHBondContact O-CD 3.24Å; F265-R411 PolarHBondContact O-NH1 2.89Å; F265-I412 WeakPolarHBondContact CE1-O 3.2Å; F265-I412 WeakPolarHBondContact CZ-O 3.18Å; F265-Q413 HydrophobicContact CD1-CB 4.17Å; F265-Q413 HydrophobicContact CE1-CB 3.94Å; F265-E418 HydrophobicContact CB-CG 4.12Å; F265-E418 HydrophobicContact CD1-CB 4.38Å; F265-E418 HydrophobicContact CD1-CG 3.92Å; F265-E418 HydrophobicContact CD2-CB 3.68Å; F265-E418 HydrophobicContact CD2-CG 3.64Å; F265-E418 HydrophobicContact CE1-CB 4.2Å; F265-E418 HydrophobicContact CE1-CG 4.19Å; F265-E418 HydrophobicContact CE2-CB 3.5Å; F265-E418 VanDerWaalsContact CE2-CB 3.5Å; F265-E418 HydrophobicContact CE2-CG 3.97Å; F265-E418 HydrophobicContact CG-CB 4.13Å; F265-E418 HydrophobicContact CG-CG 3.62Å; F265-E418 HydrophobicContact CZ-CB 3.76Å; F265-E418 HydrophobicContact CZ-CG 4.22Å; F265-I420 HydrophobicContact CE2-CD1 4.43Å; F265-I420 HydrophobicContact CE2-CG1 3.88Å; F265-I420 HydrophobicContact CZ-CG1 4.48Å
266G90.4Very high87.6Confident5 Ų541.2 Ų41.25%0.05226%0.257CS..  trans106-169.1-177.700000112.6I90 P96 N263I90-G266 VanDerWaalsContact CD1-C 3.4Å; I90-G266 WeakPolarHBondContact CD1-O 3.49Å; P96-G266 VanDerWaalsContact CD-CA 3.41Å; N263-G266 PolarHBondContact ND2-O 2.88Å; N263-G266 PolarHBondContact OD1-N 3.44Å; N263-G266 PolarHBondContact OD1-O 3.37Å
267G88.5Confident87.4Confident37 Ų3742.6 Ų42.638%0.38128%0.277SS..SBendtrans93.4-173.9-178.100000113.8S269G267-S269 VanDerWaalsContact C-N 3.32Å; G267-S269 PolarHBondContact O-N 3.37Å
268P85Confident87.2Confident77 Ų7742.6 Ų42.650%0.526%0.26SS..SBendtrans-68.1-26.7-170.9-22.333.9000114.7N88N88-P268 VanDerWaalsContact CG-CD 3.47Å; N88-P268 WeakPolarHBondContact OD1-CG 3.28Å
269S84Confident87.2Confident27 Ų2738 Ų3819%0.18924%0.243CC..  trans-72.7136.5-177.4-169.30000111.7N263 G267 T271N263-S269 PolarHBondContact ND2-O 3.06Å; G267-S269 VanDerWaalsContact C-N 3.32Å; G267-S269 PolarHBondContact O-N 3.37Å; S269-T271 VanDerWaalsContact C-N 3.26Å; S269-T271 WeakPolarHBondContact CB-O 3.5Å; S269-T271 PolarHBondContact O-N 3.31Å; S269-T271 PolarHBondContact OG-N 3.46Å; S269-T271 PolarHBondContact OG-O 3.11Å; S269-T271 VanDerWaalsContact OG-O 3.08Å
270S78.8Confident87.2Confident87 Ų8742.4 Ų42.461%0.60826%0.263SS*.SBendtrans-73.3-19.3172.458.80000112.8
271T83.9Confident87.3Confident47 Ų4746.1 Ų46.129%0.28827%0.271SS..BIsolated β-bridgetrans-120.3164-178.264.60000111.4N261 S269 V273N261-T271 WeakPolarHBondContact O-CA 3.12Å; S269-T271 VanDerWaalsContact C-N 3.26Å; S269-T271 WeakPolarHBondContact CB-O 3.5Å; S269-T271 PolarHBondContact O-N 3.31Å; S269-T271 PolarHBondContact OG-N 3.46Å; S269-T271 PolarHBondContact OG-O 3.11Å; S269-T271 VanDerWaalsContact OG-O 3.08Å; T271-V273 PolarHBondContact O-N 3.09Å
272S86.7Confident87.3Confident7 Ų745.2 Ų45.25%0.04927%0.266CS..  trans-62.8125.9176.2178.60000110.3N261 K274 A275N261-S272 PolarHBondContact O-N 2.9Å; S272-K274 PolarHBondContact O-N 3.08Å; S272-K274 VanDerWaalsContact O-N 3.11Å; S272-K274 PolarHBondContact OG-N 2.69Å; S272-A275 WeakPolarHBondContact O-CB 2.94Å; S272-A275 PolarHBondContact O-N 3.37Å
273V88Confident87.4Confident7 Ų743.8 Ų43.84%0.04226%0.259CS..G310 helixtrans-59-24.5177.6-63.60000113.1T271 A275 S276 L279 Q413 E418T271-V273 PolarHBondContact O-N 3.09Å; V273-A275 PolarHBondContact O-N 2.7Å; V273-S276 PolarHBondContact O-N 2.89Å; V273-S276 VanDerWaalsContact O-N 3.13Å; V273-L279 HydrophobicContact CB-CD1 3.98Å; V273-L279 HydrophobicContact CG1-CD1 4.12Å; V273-Q413 HydrophobicContact CB-CG 4.34Å; V273-Q413 HydrophobicContact CG1-CG 3.88Å; V273-Q413 HydrophobicContact CG2-CG 3.89Å; V273-E418 HydrophobicContact CG2-CG 4.41Å
274K86.9Confident87.3Confident29 Ų2948.7 Ų48.713%0.12628%0.281CS..G310 helixtrans-67.2-14.6175-65.3-170.2-178.4-164.60113.9R256 S272 N416 E418 D483R256-K274 VanDerWaalsContact NH1-CB 3.27Å; S272-K274 PolarHBondContact O-N 3.08Å; S272-K274 VanDerWaalsContact O-N 3.11Å; S272-K274 PolarHBondContact OG-N 2.69Å; K274-N416 WeakPolarHBondContact CG-O 3.38Å; K274-E418 VanDerWaalsContact CE-OE2 3.25Å; K274-E418 WeakPolarHBondContact CE-OE2 3.48Å; K274-E418 IonicContact NZ-OE2 2.95Å; K274-E418 PolarHBondContact NZ-OE2 3.16Å; K274-D483 WeakPolarHBondContact CE-OD2 3.32Å; K274-D483 IonicContact NZ-OD1 2.86Å; K274-D483 PolarHBondContact NZ-OD1 2.76Å; K274-D483 IonicContact NZ-OD2 3.01Å; K274-D483 PolarHBondContact NZ-OD2 2.97Å
275A85.4Confident87.2Confident46 Ų4653.3 Ų53.338%0.3830%0.303SS..G310 helixtrans-89.3-14.3175.100000113N261 S272 V273 S277N261-A275 HydrophobicContact CB-CB 4.14Å; N261-A275 WeakPolarHBondContact OD1-CB 3.41Å; S272-A275 WeakPolarHBondContact O-CB 2.94Å; S272-A275 PolarHBondContact O-N 3.37Å; V273-A275 PolarHBondContact O-N 2.7Å; A275-S277 PolarHBondContact O-N 3.15Å
276S86.3Confident86.9Confident20 Ų2056 Ų5614%0.1432%0.318CS..  trans-82.3112.4-178.4-175.90000110.8D81 V273 K278 L279 K280D81-S276 PolarHBondContact OD2-OG 3.22Å; V273-S276 PolarHBondContact O-N 2.89Å; V273-S276 VanDerWaalsContact O-N 3.13Å; S276-K278 VanDerWaalsContact C-N 3.3Å; S276-L279 PolarHBondContact OG-N 3.49Å; S276-K280 PolarHBondContact O-N 2.6Å
277S85.5Confident86.7Confident100 Ų10062.7 Ų62.770%0.69935%0.348SS*.Hα-helixtrans-66.7-32.3174.852.50000112.3A275 K280 Q281A275-S277 PolarHBondContact O-N 3.15Å; S277-K280 PolarHBondContact O-N 3.11Å; S277-Q281 PolarHBondContact O-N 2.69Å
278K86.5Confident86.7Confident90 Ų9066.2 Ų66.239%0.39136%0.358SS..Hα-helixtrans-63.1-47.8177.3-175.9-177.3178.9-175.60111.6D81 S276 K280 Q281 L282D81-K278 HydrophobicContact CB-CD 4.36Å; D81-K278 PolarHBondContact O-NZ 3.19Å; S276-K278 VanDerWaalsContact C-N 3.3Å; K278-K280 VanDerWaalsContact C-N 3.27Å; K278-K280 PolarHBondContact O-N 3.01Å; K278-Q281 PolarHBondContact O-N 2.79Å; K278-L282 WeakPolarHBondContact O-CG 3.43Å; K278-L282 PolarHBondContact O-N 2.99Å; K278-L282 VanDerWaalsContact O-N 3.07Å
279L86.9Confident86.9Confident15 Ų1562.6 Ų62.68%0.07934%0.335CS..Hα-helixtrans-63.8-36177.1-66.8178.5000111.6V86 V273 S276 L282 E283 C415 N416V86-L279 HydrophobicContact CG2-CD2 4.41Å; V273-L279 HydrophobicContact CB-CD1 3.98Å; V273-L279 HydrophobicContact CG1-CD1 4.12Å; S276-L279 PolarHBondContact OG-N 3.49Å; L279-L282 HydrophobicContact CD2-CD1 4.46Å; L279-L282 PolarHBondContact O-N 2.91Å; L279-E283 PolarHBondContact O-N 3.09Å; L279-E283 VanDerWaalsContact O-N 3.1Å; L279-C415 WeakPolarHBondContact O-CB 3.27Å; L279-N416 HydrophobicContact CB-CB 4.48Å
280K88.7Confident87.3Confident111 Ų11161.5 Ų61.548%0.48333%0.327SS..Hα-helixtrans-63.6-42.8174.1-179.7173.4-179-169.50112.7S276 S277 K278 E283 E284 N416S276-K280 PolarHBondContact O-N 2.6Å; S277-K280 PolarHBondContact O-N 3.11Å; K278-K280 VanDerWaalsContact C-N 3.27Å; K278-K280 PolarHBondContact O-N 3.01Å; K280-E283 WeakPolarHBondContact O-CB 3.47Å; K280-E283 PolarHBondContact O-N 2.9Å; K280-E284 WeakPolarHBondContact CE-OE1 3.08Å; K280-E284 IonicContact NZ-OE1 2.97Å; K280-E284 WeakPolarHBondContact O-CG 3.25Å; K280-E284 PolarHBondContact O-N 2.94Å; K280-N416 WeakPolarHBondContact CA-ND2 3.1Å; K280-N416 HydrophobicContact CB-CB 4.41Å; K280-N416 WeakPolarHBondContact CB-ND2 3.47Å; K280-N416 WeakPolarHBondContact CG-ND2 3.5Å
281Q87.9Confident88.1Confident110 Ų11057.4 Ų57.451%0.51430%0.298SS..Hα-helixtrans-62.5-43.8176-175.3180-7.200111.7S277 K278 E283 E284 E285S277-Q281 PolarHBondContact O-N 2.69Å; K278-Q281 PolarHBondContact O-N 2.79Å; Q281-E283 VanDerWaalsContact C-N 3.26Å; Q281-E283 PolarHBondContact O-N 3.08Å; Q281-E284 PolarHBondContact O-N 3.42Å; Q281-E285 HydrophobicContact CG-CG 4.36Å; Q281-E285 VanDerWaalsContact CG-OE1 3.32Å; Q281-E285 WeakPolarHBondContact CG-OE1 3.45Å; Q281-E285 PolarHBondContact NE2-OE1 2.92Å; Q281-E285 WeakPolarHBondContact O-CG 2.99Å; Q281-E285 PolarHBondContact O-N 2.94Å
282L88.4Confident88.7Confident55 Ų5555.2 Ų55.229%0.28828%0.284SS..Hα-helixtrans-62.8-31.8178.3-70.7171.8000113.4V86 K278 L279 N286V86-L282 HydrophobicContact CG2-CD1 4.12Å; K278-L282 WeakPolarHBondContact O-CG 3.43Å; K278-L282 PolarHBondContact O-N 2.99Å; K278-L282 VanDerWaalsContact O-N 3.07Å; L279-L282 HydrophobicContact CD2-CD1 4.46Å; L279-L282 PolarHBondContact O-N 2.91Å; L282-N286 WeakPolarHBondContact O-CB 3.17Å; L282-N286 PolarHBondContact O-N 3.47Å
283E90.2Very high89.2Confident7 Ų755 Ų553%0.03328%0.283CS..Hα-helixtrans-69-42174.3-175.2178.9131.400112.7L279 K280 Q281 C415 N416 Q417L279-E283 PolarHBondContact O-N 3.09Å; L279-E283 VanDerWaalsContact O-N 3.1Å; K280-E283 WeakPolarHBondContact O-CB 3.47Å; K280-E283 PolarHBondContact O-N 2.9Å; Q281-E283 VanDerWaalsContact C-N 3.26Å; Q281-E283 PolarHBondContact O-N 3.08Å; E283-C415 HydrophobicContact CB-CB 3.67Å; E283-C415 HydrophobicContact CG-CB 4.21Å; E283-C415 WeakPolarHBondContact OE2-CB 3.45Å; E283-N416 PolarHBondContact OE1-OD1 3.41Å; E283-N416 PolarHBondContact OE2-N 2.79Å; E283-N416 PolarHBondContact OE2-ND2 3.29Å; E283-N416 PolarHBondContact OE2-OD1 3.05Å; E283-Q417 VanDerWaalsContact CD-NE2 3.33Å; E283-Q417 PolarHBondContact OE1-NE2 2.88Å
284E89.8Confident89.7Confident109 Ų10954.7 Ų54.751%0.50928%0.281SS..Hα-helixtrans-71-33.6178.8-69.5173.6-178.600111.5K280 Q281K280-E284 WeakPolarHBondContact CE-OE1 3.08Å; K280-E284 IonicContact NZ-OE1 2.97Å; K280-E284 WeakPolarHBondContact O-CG 3.25Å; K280-E284 PolarHBondContact O-N 2.94Å; Q281-E284 PolarHBondContact O-N 3.42Å
285E90.2Very high90.1Very high124 Ų12453.3 Ų53.358%0.57928%0.275SS*.Hα-helixtrans-73.2-26.2177-72.9174.3-179.400113.3Q281 E287Q281-E285 HydrophobicContact CG-CG 4.36Å; Q281-E285 VanDerWaalsContact CG-OE1 3.32Å; Q281-E285 WeakPolarHBondContact CG-OE1 3.45Å; Q281-E285 PolarHBondContact NE2-OE1 2.92Å; Q281-E285 WeakPolarHBondContact O-CG 2.99Å; Q281-E285 PolarHBondContact O-N 2.94Å; E285-E287 PolarHBondContact O-N 3.3Å
286N86.9Confident90.5Very high66 Ų6651.1 Ų51.135%0.35326%0.257SS..  trans-9769.5-176.3-164.95.3000112.1L282 D288 A289 Y414L282-N286 WeakPolarHBondContact O-CB 3.17Å; L282-N286 PolarHBondContact O-N 3.47Å; N286-D288 PolarHBondContact O-N 3.04Å; N286-A289 HydrophobicContact CB-CB 4.42Å; N286-A289 VanDerWaalsContact O-CB 3.3Å; N286-A289 WeakPolarHBondContact O-CB 3.34Å; N286-A289 PolarHBondContact O-N 3.16Å; N286-Y414 PolarHBondContact ND2-OH 2.99Å
287E87.4Confident90.9Very high146 Ų14650.2 Ų50.268%0.68225%0.251SS*.THydrogen-bonded Turntrans-63.8-29.1-179.2-64.7-174.2173.300113.2E285 A289E285-E287 PolarHBondContact O-N 3.3Å; E287-A289 PolarHBondContact O-N 3.05Å
288D87Confident91.4Very high111 Ų11147.8 Ų47.859%0.59423%0.226SC*.THydrogen-bonded Turntrans-78.1-3.5-179.8-65.9-32.5000113.5N286 M290N286-D288 PolarHBondContact O-N 3.04Å; D288-M290 PolarHBondContact O-N 3.45Å
289A89.9Confident91.7Very high1 Ų143.8 Ų43.81%0.00821%0.209CC..  trans-63.6132.817800000110.8N286 E287 T321 Y414 Y520 P521N286-A289 HydrophobicContact CB-CB 4.42Å; N286-A289 VanDerWaalsContact O-CB 3.3Å; N286-A289 WeakPolarHBondContact O-CB 3.34Å; N286-A289 PolarHBondContact O-N 3.16Å; E287-A289 PolarHBondContact O-N 3.05Å; A289-T321 WeakPolarHBondContact CA-OG1 3.41Å; A289-Y414 HydrophobicContact CB-CE1 4.27Å; A289-Y414 WeakPolarHBondContact CB-OH 3.13Å; A289-Y520 WeakPolarHBondContact O-CD1 3.34Å; A289-P521 HydrophobicContact CB-CG 3.49Å; A289-P521 VanDerWaalsContact CB-CG 3.49Å; A289-P521 WeakPolarHBondContact O-CD 3.33Å
290M92.6Very high91.9Very high4 Ų445.6 Ų45.62%0.0222%0.219CC..  trans-152.6142.8-179.858.8170.5121.100112.4D288 Y315 L318 P320 T321 C322 V518 Y519 Y520D288-M290 PolarHBondContact O-N 3.45Å; M290-Y315 HydrophobicContact SD-CD1 4.23Å; M290-Y315 HydrophobicContact SD-CE1 3.93Å; M290-L318 HydrophobicContact CE-CB 4.28Å; M290-L318 HydrophobicContact CE-CD2 3.53Å; M290-L318 HydrophobicContact CE-CG 3.52Å; M290-L318 WeakPolarHBondContact CE-O 3.37Å; M290-P320 HydrophobicContact CG-CB 3.39Å; M290-P320 HydrophobicContact SD-CB 3.58Å; M290-P320 VanDerWaalsContact SD-CB 3.58Å; M290-T321 PolarHBondContact N-OG1 2.89Å; M290-T321 VanDerWaalsContact N-OG1 3.16Å; M290-T321 WeakPolarHBondContact O-CB 3.44Å; M290-T321 PolarHBondContact O-N 3.14Å; M290-C322 PolarHBondContact O-N 3.15Å; M290-V518 HydrophobicContact CB-CG1 4.17Å; M290-Y519 WeakPolarHBondContact CA-O 3.26Å; M290-Y520 HydrophobicContact CB-CD1 3.97Å; M290-Y520 HydrophobicContact CB-CE1 3.85Å
291F95.8Very high92.1Very high1 Ų141.8 Ų41.80%0.00421%0.206CC..EExtended strand (participates in β ladder)trans-117.9112.7178.9-67.1-94.8000109.6F87 C322 I324 Y414 V518 Y519 P521F87-F291 HydrophobicContact CE1-CE1 4.12Å; F87-F291 HydrophobicContact CE2-CE1 4.46Å; F87-F291 AromaticContact CZ-CE1 3.93Å; F87-F291 HydrophobicContact CZ-CE1 3.93Å; F291-C322 WeakPolarHBondContact CA-O 3.17Å; F291-C322 HydrophobicContact CD1-CB 3.5Å; F291-C322 VanDerWaalsContact CD1-CB 3.5Å; F291-C322 HydrophobicContact CE1-CB 3.7Å; F291-C322 HydrophobicContact CG-CB 4.44Å; F291-I324 HydrophobicContact CB-CD1 4.4Å; F291-I324 HydrophobicContact CD1-CD1 4.08Å; F291-Y414 HydrophobicContact CE2-CD1 4.01Å; F291-Y414 HydrophobicContact CE2-CD2 4.2Å; F291-Y414 HydrophobicContact CE2-CE1 4.36Å; F291-Y414 AromaticContact CE2-CG 3.92Å; F291-Y414 HydrophobicContact CE2-CG 3.92Å; F291-Y414 HydrophobicContact CZ-CD1 4.11Å; F291-Y414 AromaticContact CZ-CD2 3.57Å; F291-Y414 HydrophobicContact CZ-CD2 3.57Å; F291-Y414 HydrophobicContact CZ-CE2 4.14Å; F291-Y414 AromaticContact CZ-CG 3.53Å; F291-Y414 HydrophobicContact CZ-CG 3.53Å; F291-V518 CarbonylContact O-C 3.58Å; F291-V518 WeakPolarHBondContact O-CA 3.23Å; F291-Y519 HydrophobicContact CD2-CD1 4.08Å; F291-Y519 PolarHBondContact N-O 3.31Å; F291-Y519 PolarHBondContact O-N 2.86Å; F291-P521 HydrophobicContact CD2-CG 4.3Å; F291-P521 HydrophobicContact CE2-CB 4.18Å; F291-P521 HydrophobicContact CE2-CG 3.85Å
292V96.4Very high92.3Very high0 Ų041.4 Ų41.40%021%0.211CC..EExtended strand (participates in β ladder)trans-91.1122.6176.11790000108.6V294 M311 Y315 P320 C322 F323 I324 F516 V518V292-V294 HydrophobicContact CG1-CG2 4.2Å; V292-M311 HydrophobicContact CG1-SD 4.01Å; V292-Y315 HydrophobicContact CG1-CE2 4.5Å; V292-Y315 HydrophobicContact CG2-CE1 4.44Å; V292-Y315 HydrophobicContact CG2-CE2 3.89Å; V292-P320 HydrophobicContact CG2-CB 3.84Å; V292-P320 HydrophobicContact CG2-CG 3.93Å; V292-C322 PolarHBondContact N-O 3.36Å; V292-F323 HydrophobicContact CB-CD1 3.65Å; V292-F323 HydrophobicContact CB-CE1 3.94Å; V292-F323 HydrophobicContact CG1-CD1 3.8Å; V292-F323 HydrophobicContact CG1-CE1 3.99Å; V292-F323 HydrophobicContact CG2-CD1 4.21Å; V292-F323 HydrophobicContact CG2-CE1 4.03Å; V292-F323 CarbonylContact O-C 3.6Å; V292-I324 PolarHBondContact O-N 3.48Å; V292-F516 HydrophobicContact CG1-CD2 3.71Å; V292-F516 HydrophobicContact CG1-CE2 3.95Å; V292-V518 HydrophobicContact CG2-CG2 4.47Å
293I97.4Very high92.5Very high4 Ų444.6 Ų44.62%0.02122%0.224CC..EExtended strand (participates in β ladder)trans-119.3119.5-172.2-54.4169.7000109.4I324 V486 L504 P506 F516 K517I293-I324 HydrophobicContact CG1-CB 4.38Å; I293-I324 HydrophobicContact CG1-CD1 3.98Å; I293-I324 HydrophobicContact CG2-CG2 4.48Å; I293-V486 HydrophobicContact CD1-CG1 4.44Å; I293-V486 HydrophobicContact CD1-CG2 3.82Å; I293-V486 HydrophobicContact CG2-CG1 3.64Å; I293-L504 HydrophobicContact CD1-CD1 3.88Å; I293-L504 HydrophobicContact CD1-CD2 4.32Å; I293-P506 HydrophobicContact CG2-CB 4.35Å; I293-P506 HydrophobicContact CG2-CG 4.03Å; I293-F516 WeakPolarHBondContact O-CB 3.2Å; I293-K517 PolarHBondContact N-O 3.25Å; I293-K517 PolarHBondContact O-N 3.07Å; I293-K517 VanDerWaalsContact O-N 3.1Å
294V96.9Very high92.7Very high0 Ų044.2 Ų44.20%022%0.223CC..EExtended strand (participates in β ladder)trans-129.6141.4-179.9-161.50000109.5V292 V297 M311 I324 F325 C326 F509 F516V292-V294 HydrophobicContact CG1-CG2 4.2Å; V294-V297 HydrophobicContact CB-CG2 3.95Å; V294-V297 HydrophobicContact CG1-CG2 3.75Å; V294-M311 HydrophobicContact CG2-SD 4.3Å; V294-I324 PolarHBondContact N-O 3.45Å; V294-F325 HydrophobicContact CB-CD1 3.98Å; V294-F325 HydrophobicContact CB-CE1 4.28Å; V294-F325 HydrophobicContact CG2-CD1 4.04Å; V294-F325 HydrophobicContact CG2-CE1 3.88Å; V294-C326 WeakPolarHBondContact O-CB 3.47Å; V294-C326 PolarHBondContact O-N 2.95Å; V294-F509 HydrophobicContact CG1-CB 3.66Å; V294-F509 HydrophobicContact CG1-CD1 4.09Å; V294-F509 HydrophobicContact CG1-CD2 3.49Å; V294-F509 VanDerWaalsContact CG1-CD2 3.49Å; V294-F509 HydrophobicContact CG1-CE2 4.08Å; V294-F509 HydrophobicContact CG1-CG 3.5Å; V294-F509 VanDerWaalsContact CG1-CG 3.5Å; V294-F516 HydrophobicContact CG1-CB 4.46Å; V294-F516 HydrophobicContact CG2-CB 3.92Å
295S96Very high92.9Very high0 Ų040.1 Ų40.10%020%0.204CC..  trans-128.6152-179.2173.80000111.8A488 G507 F509S295-A488 WeakPolarHBondContact OG-CB 3.45Å; S295-G507 WeakPolarHBondContact CB-O 3.38Å; S295-F509 WeakPolarHBondContact O-CB 3.38Å; S295-F509 PolarHBondContact O-N 2.98Å
296D94.1Very high93Very high0 Ų039.5 Ų39.50%020%0.201CC..  trans53.153.8-171.1-75.6-17.3000112.6W298 C326 G327 N328 R423 S508 P510 R511D296-W298 VanDerWaalsContact C-N 3.32Å; D296-W298 PolarHBondContact O-N 2.89Å; D296-C326 PolarHBondContact N-O 3.3Å; D296-C326 VanDerWaalsContact N-O 3.13Å; D296-G327 PolarHBondContact N-O 3.35Å; D296-G327 VanDerWaalsContact N-O 3.09Å; D296-N328 CarbonylContact C-O 3.57Å; D296-N328 PolarHBondContact OD1-N 3.47Å; D296-N328 VanDerWaalsContact OD1-N 3.1Å; D296-R423 IonicContact OD1-CZ 3.38Å; D296-R423 IonicContact OD1-NE 3.2Å; D296-R423 PolarHBondContact OD1-NE 3.44Å; D296-R423 IonicContact OD1-NH2 2.84Å; D296-R423 PolarHBondContact OD1-NH2 3.46Å; D296-R423 IonicContact OD2-NH2 3.2Å; D296-S508 VanDerWaalsContact CB-OG 3.31Å; D296-S508 WeakPolarHBondContact CB-OG 3.24Å; D296-S508 VanDerWaalsContact OD2-CB 3.26Å; D296-S508 WeakPolarHBondContact OD2-CB 3.31Å; D296-S508 PolarHBondContact OD2-OG 3.28Å; D296-P510 WeakPolarHBondContact O-CD 3.33Å; D296-R511 IonicContact OD2-CZ 2.83Å; D296-R511 IonicContact OD2-NH2 3.48Å; D296-R511 PolarHBondContact OD2-NH2 2.93Å
297V94.8Very high93.4Very high1 Ų137.5 Ų37.51%0.00619%0.189CC..  trans-77.680179.3-168.50000110.5V294 L299 V304 L308 F325 C326 N328 F329V294-V297 HydrophobicContact CB-CG2 3.95Å; V294-V297 HydrophobicContact CG1-CG2 3.75Å; V297-L299 HydrophobicContact CG1-CD2 3.71Å; V297-L299 WeakPolarHBondContact O-CG 3.36Å; V297-L299 PolarHBondContact O-N 2.79Å; V297-V304 HydrophobicContact CG1-CG1 4.18Å; V297-L308 HydrophobicContact CG1-CD1 3.85Å; V297-L308 HydrophobicContact CG1-CD2 4.44Å; V297-F325 HydrophobicContact CG2-CB 4.22Å; V297-F325 HydrophobicContact CG2-CD1 3.92Å; V297-F325 HydrophobicContact CG2-CG 4.42Å; V297-C326 PolarHBondContact N-O 3.03Å; V297-N328 CarbonylContact C-O 3.56Å; V297-N328 PolarHBondContact N-O 3.39Å; V297-F329 HydrophobicContact CB-CD1 4.38Å; V297-F329 CarbonylContact O-C 3.6Å; V297-F329 VanDerWaalsContact O-CA 3.28Å; V297-F329 WeakPolarHBondContact O-CA 3.4Å
298W94.7Very high93.7Very high49 Ų4930.5 Ų30.519%0.18616%0.156CC..  trans-69.193.3178.5-61.4-16.2000112.1D296 D300 S301 V304 N328 P510 R511D296-W298 VanDerWaalsContact C-N 3.32Å; D296-W298 PolarHBondContact O-N 2.89Å; W298-D300 WeakPolarHBondContact CB-OD1 3.49Å; W298-D300 PolarHBondContact O-N 3.38Å; W298-S301 PolarHBondContact O-N 2.82Å; W298-S301 VanDerWaalsContact O-N 3.15Å; W298-V304 HydrophobicContact CB-CG2 4.37Å; W298-V304 VanDerWaalsContact O-CB 3.31Å; W298-V304 WeakPolarHBondContact O-CB 3.45Å; W298-V304 WeakPolarHBondContact O-CG1 3.36Å; W298-N328 VanDerWaalsContact CD1-O 3.31Å; W298-P510 HydrophobicContact CD2-CB 4.38Å; W298-P510 HydrophobicContact CD2-CG 3.59Å; W298-P510 HydrophobicContact CE3-CB 3.77Å; W298-P510 HydrophobicContact CE3-CG 3.43Å; W298-P510 VanDerWaalsContact CE3-CG 3.43Å; W298-P510 HydrophobicContact CG-CG 4.23Å; W298-P510 HydrophobicContact CH2-CG 3.98Å; W298-P510 HydrophobicContact CZ2-CG 4.12Å; W298-P510 HydrophobicContact CZ3-CB 3.89Å; W298-P510 HydrophobicContact CZ3-CG 3.64Å; W298-R511 HydrophobicContact CH2-CG 4.28Å
299L93Very high94Very high6 Ų628.2 Ų28.23%0.03114%0.144CC..THydrogen-bonded Turntrans-72.7-11-175.2-58.1177000113.7V297 M305 L308 F329 S345 L346 L349V297-L299 HydrophobicContact CG1-CD2 3.71Å; V297-L299 WeakPolarHBondContact O-CG 3.36Å; V297-L299 PolarHBondContact O-N 2.79Å; L299-M305 HydrophobicContact CD2-SD 4.12Å; L299-L308 HydrophobicContact CD2-CD1 4.12Å; L299-F329 HydrophobicContact CD1-CB 4.36Å; L299-F329 HydrophobicContact CD1-CD1 4.29Å; L299-F329 PolarHBondContact N-O 2.83Å; L299-S345 PolarHBondContact O-OG 2.79Å; L299-L346 HydrophobicContact CD1-CD2 3.78Å; L299-L346 HydrophobicContact CD1-CG 4.31Å; L299-L349 HydrophobicContact CD1-CD2 4.09Å; L299-L349 HydrophobicContact CD2-CB 4.45Å; L299-L349 HydrophobicContact CD2-CD1 4.3Å; L299-L349 HydrophobicContact CD2-CD2 3.88Å; L299-L349 HydrophobicContact CD2-CG 4.43Å
300D91.5Very high94.1Very high53 Ų5330.9 Ų30.928%0.28316%0.157SC..THydrogen-bonded Turntrans-82.1-17.3172.657.8-34.3000113W298 S330 S331W298-D300 WeakPolarHBondContact CB-OD1 3.49Å; W298-D300 PolarHBondContact O-N 3.38Å; D300-S330 WeakPolarHBondContact OD1-CA 3.43Å; D300-S330 PolarHBondContact OD2-OG 3.02Å; D300-S331 PolarHBondContact OD1-N 3.25Å; D300-S331 WeakPolarHBondContact OD2-CB 3.16Å; D300-S331 PolarHBondContact OD2-N 2.89Å; D300-S331 PolarHBondContact OD2-OG 2.99Å
301S92.4Very high94.1Very high30 Ų3030.9 Ų30.921%0.2116%0.158CC..  trans-83.3125.5176.61790000111.4W298 E303 V304 M305W298-S301 PolarHBondContact O-N 2.82Å; W298-S301 VanDerWaalsContact O-N 3.15Å; S301-E303 VanDerWaalsContact C-N 3.31Å; S301-E303 PolarHBondContact O-N 2.93Å; S301-V304 PolarHBondContact O-N 3.33Å; S301-M305 PolarHBondContact O-N 2.84Å; S301-M305 VanDerWaalsContact O-N 3.15Å
302V92.8Very high93.9Very high103 Ų10330.9 Ų30.962%0.62416%0.158SC*.Hα-helixtrans-60.3-42.7176.3-178.30000110.8V304 M305 E306V302-V304 VanDerWaalsContact C-N 3.33Å; V302-V304 PolarHBondContact O-N 3Å; V302-M305 PolarHBondContact O-N 2.82Å; V302-E306 HydrophobicContact CG1-CG 4.45Å; V302-E306 WeakPolarHBondContact O-CG 3.33Å; V302-E306 PolarHBondContact O-N 3.37Å
303E93.1Very high93.7Very high121 Ų12133.7 Ų33.757%0.56518%0.177SC*.Hα-helixtrans-60.8-42.2178.7-63.3-177.7178.900111.5S301 M305 E306 K307 F514S301-E303 VanDerWaalsContact C-N 3.31Å; S301-E303 PolarHBondContact O-N 2.93Å; E303-M305 VanDerWaalsContact C-N 3.34Å; E303-M305 PolarHBondContact O-N 3.1Å; E303-E306 PolarHBondContact O-N 2.95Å; E303-K307 WeakPolarHBondContact O-CG 3.39Å; E303-K307 PolarHBondContact O-N 3.15Å; E303-F514 HydrophobicContact CB-CE1 4.48Å; E303-F514 HydrophobicContact CB-CZ 3.93Å
304V94.2Very high93.3Very high0 Ų036.2 Ų36.20%020%0.204CC..Hα-helixtrans-63.2-43.5177.9172.20000110.5V297 W298 S301 V302 E306 K307 L308 F509 P510 F514V297-V304 HydrophobicContact CG1-CG1 4.18Å; W298-V304 HydrophobicContact CB-CG2 4.37Å; W298-V304 VanDerWaalsContact O-CB 3.31Å; W298-V304 WeakPolarHBondContact O-CB 3.45Å; W298-V304 WeakPolarHBondContact O-CG1 3.36Å; S301-V304 PolarHBondContact O-N 3.33Å; V302-V304 VanDerWaalsContact C-N 3.33Å; V302-V304 PolarHBondContact O-N 3Å; V304-E306 PolarHBondContact O-N 3.48Å; V304-K307 PolarHBondContact O-N 3.33Å; V304-L308 HydrophobicContact CG1-CD1 4.11Å; V304-L308 HydrophobicContact CG1-CG 4.33Å; V304-L308 VanDerWaalsContact O-CG 3.3Å; V304-L308 WeakPolarHBondContact O-CG 3.47Å; V304-L308 PolarHBondContact O-N 2.89Å; V304-F509 HydrophobicContact CG1-CD1 4.11Å; V304-F509 HydrophobicContact CG1-CE1 4.16Å; V304-P510 HydrophobicContact CG2-CB 4.09Å; V304-F514 HydrophobicContact CG2-CE1 4.04Å
305M93.3Very high93Very high22 Ų2237.9 Ų37.911%0.10821%0.211CC..Hα-helixtrans-64-39.7178.6-70.7-61.4-61.200112.7L299 S301 V302 E303 L308 N309 T348 L349 V352L299-M305 HydrophobicContact CD2-SD 4.12Å; S301-M305 PolarHBondContact O-N 2.84Å; S301-M305 VanDerWaalsContact O-N 3.15Å; V302-M305 PolarHBondContact O-N 2.82Å; E303-M305 VanDerWaalsContact C-N 3.34Å; E303-M305 PolarHBondContact O-N 3.1Å; M305-L308 PolarHBondContact O-N 3.5Å; M305-L308 HydrophobicContact SD-CD1 4.22Å; M305-N309 WeakPolarHBondContact O-CB 3.41Å; M305-N309 PolarHBondContact O-N 3.28Å; M305-T348 HydrophobicContact CE-CG2 3.83Å; M305-L349 HydrophobicContact CE-CB 4.42Å; M305-L349 HydrophobicContact CE-CD1 4.49Å; M305-V352 HydrophobicContact CE-CG2 3.84Å
306E93.6Very high92.5Very high112 Ų11239.2 Ų39.252%0.52322%0.222SC..Hα-helixtrans-62.3-44173.5-72.5175.4175.500111.7V302 E303 V304 N309 I310V302-E306 HydrophobicContact CG1-CG 4.45Å; V302-E306 WeakPolarHBondContact O-CG 3.33Å; V302-E306 PolarHBondContact O-N 3.37Å; E303-E306 PolarHBondContact O-N 2.95Å; V304-E306 PolarHBondContact O-N 3.48Å; E306-N309 VanDerWaalsContact O-CB 3.31Å; E306-N309 WeakPolarHBondContact O-CB 3.38Å; E306-N309 PolarHBondContact O-N 2.92Å; E306-I310 WeakPolarHBondContact O-CG1 3.31Å; E306-I310 PolarHBondContact O-N 2.97Å
307K94.3Very high92.1Very high23 Ų2344 Ų4410%0.126%0.261CS..Hα-helixtrans-68.9-36.5179-61.8-68.9177.61770112.6E303 V304 N309 I310 M311 F509 F514 L531 L534E303-K307 WeakPolarHBondContact O-CG 3.39Å; E303-K307 PolarHBondContact O-N 3.15Å; V304-K307 PolarHBondContact O-N 3.33Å; K307-N309 VanDerWaalsContact C-N 3.28Å; K307-N309 PolarHBondContact O-N 2.79Å; K307-I310 HydrophobicContact CD-CD1 4.35Å; K307-I310 PolarHBondContact O-N 3.46Å; K307-M311 WeakPolarHBondContact O-CB 3.43Å; K307-M311 PolarHBondContact O-N 2.93Å; K307-F509 HydrophobicContact CB-CE1 4.14Å; K307-F509 HydrophobicContact CB-CZ 4.02Å; K307-F514 HydrophobicContact CB-CD1 4.03Å; K307-F514 HydrophobicContact CB-CE1 4.44Å; K307-F514 HydrophobicContact CB-CG 4.3Å; K307-F514 HydrophobicContact CD-CD2 4.08Å; K307-F514 HydrophobicContact CD-CE2 4.43Å; K307-F514 HydrophobicContact CD-CG 4.16Å; K307-F514 HydrophobicContact CG-CB 4.38Å; K307-F514 HydrophobicContact CG-CD1 3.67Å; K307-F514 HydrophobicContact CG-CD2 3.98Å; K307-F514 HydrophobicContact CG-CE1 3.82Å; K307-F514 HydrophobicContact CG-CE2 4.14Å; K307-F514 HydrophobicContact CG-CG 3.74Å; K307-F514 HydrophobicContact CG-CZ 4.06Å; K307-L531 HydrophobicContact CB-CD1 4.22Å; K307-L531 HydrophobicContact CD-CB 3.99Å; K307-L531 PolarHBondContact NZ-O 2.93Å; K307-L534 PolarHBondContact NZ-OXT 3.18Å
308L93.6Very high91.7Very high0 Ų048.2 Ų48.20%028%0.283CS..Hα-helixtrans-62-39.7171.2-72175.9000110.9V297 L299 V304 M305 M311 F312 F325 L349 F509V297-L308 HydrophobicContact CG1-CD1 3.85Å; V297-L308 HydrophobicContact CG1-CD2 4.44Å; L299-L308 HydrophobicContact CD2-CD1 4.12Å; V304-L308 HydrophobicContact CG1-CD1 4.11Å; V304-L308 HydrophobicContact CG1-CG 4.33Å; V304-L308 VanDerWaalsContact O-CG 3.3Å; V304-L308 WeakPolarHBondContact O-CG 3.47Å; V304-L308 PolarHBondContact O-N 2.89Å; M305-L308 PolarHBondContact O-N 3.5Å; M305-L308 HydrophobicContact SD-CD1 4.22Å; L308-M311 HydrophobicContact CD2-CE 3.58Å; L308-M311 WeakPolarHBondContact O-CB 3.49Å; L308-M311 PolarHBondContact O-N 3.19Å; L308-F312 HydrophobicContact CB-CE2 4.16Å; L308-F312 WeakPolarHBondContact O-CD2 3.3Å; L308-F312 VanDerWaalsContact O-CG 3.27Å; L308-F312 WeakPolarHBondContact O-CG 3.47Å; L308-F312 PolarHBondContact O-N 2.88Å; L308-F325 HydrophobicContact CD2-CE1 4.06Å; L308-F325 HydrophobicContact CD2-CZ 4.3Å; L308-L349 HydrophobicContact CD1-CD1 3.97Å; L308-F509 HydrophobicContact CD2-CE1 4.45Å
309N93.1Very high91.3Very high63 Ų6347.6 Ų47.634%0.33729%0.286SS..Hα-helixtrans-62.5-42.5175.1-165.28.6000112M305 E306 K307 F312 S313 V352 Y356M305-N309 WeakPolarHBondContact O-CB 3.41Å; M305-N309 PolarHBondContact O-N 3.28Å; E306-N309 VanDerWaalsContact O-CB 3.31Å; E306-N309 WeakPolarHBondContact O-CB 3.38Å; E306-N309 PolarHBondContact O-N 2.92Å; K307-N309 VanDerWaalsContact C-N 3.28Å; K307-N309 PolarHBondContact O-N 2.79Å; N309-F312 PolarHBondContact O-N 3.03Å; N309-S313 WeakPolarHBondContact O-CB 3.5Å; N309-S313 PolarHBondContact O-N 2.81Å; N309-V352 HydrophobicContact CB-CG1 4.24Å; N309-Y356 PolarHBondContact O-OH 2.72Å; N309-Y356 WeakPolarHBondContact OD1-CE2 3.43Å; N309-Y356 VanDerWaalsContact OD1-CZ 3.29Å; N309-Y356 PolarHBondContact OD1-OH 2.83Å
310I93Very high91.2Very high56 Ų5647.3 Ų47.329%0.28728%0.284SS..Hα-helixtrans-63.9-40.4173.6-66.2166.9000111.5E306 K307 S313 G314 L531 L534E306-I310 WeakPolarHBondContact O-CG1 3.31Å; E306-I310 PolarHBondContact O-N 2.97Å; K307-I310 HydrophobicContact CD-CD1 4.35Å; K307-I310 PolarHBondContact O-N 3.46Å; I310-S313 PolarHBondContact O-N 2.61Å; I310-S313 PolarHBondContact O-OG 3.13Å; I310-G314 PolarHBondContact O-N 3.35Å; I310-L531 HydrophobicContact CG2-CD2 4.44Å; I310-L534 WeakPolarHBondContact CD1-OXT 3.35Å
311M92.8Very high91.2Very high5 Ų545.5 Ų45.53%0.02528%0.275CS..Hα-helixtrans-62.4-46.7176.2-174.4-177.668.600111V292 V294 K307 L308 G314 Y315 F323 F325 F516 L531V292-M311 HydrophobicContact CG1-SD 4.01Å; V294-M311 HydrophobicContact CG2-SD 4.3Å; K307-M311 WeakPolarHBondContact O-CB 3.43Å; K307-M311 PolarHBondContact O-N 2.93Å; L308-M311 HydrophobicContact CD2-CE 3.58Å; L308-M311 WeakPolarHBondContact O-CB 3.49Å; L308-M311 PolarHBondContact O-N 3.19Å; M311-G314 PolarHBondContact O-N 3.3Å; M311-Y315 HydrophobicContact CG-CD2 3.84Å; M311-Y315 HydrophobicContact CG-CE2 3.86Å; M311-Y315 VanDerWaalsContact O-CD2 3.25Å; M311-Y315 WeakPolarHBondContact O-CD2 3.46Å; M311-Y315 PolarHBondContact O-N 2.92Å; M311-F323 HydrophobicContact CE-CD1 4.03Å; M311-F323 HydrophobicContact CE-CE1 3.83Å; M311-F323 HydrophobicContact SD-CE1 4.39Å; M311-F325 HydrophobicContact CE-CE1 3.99Å; M311-F325 HydrophobicContact CE-CZ 4.04Å; M311-F516 HydrophobicContact CG-CE1 4.36Å; M311-F516 HydrophobicContact CG-CZ 4.18Å; M311-F516 HydrophobicContact SD-CD1 4.43Å; M311-F516 HydrophobicContact SD-CE1 4.31Å; M311-F516 HydrophobicContact SD-CE2 4.49Å; M311-F516 HydrophobicContact SD-CZ 4.33Å; M311-L531 HydrophobicContact CB-CD1 4.1Å
312F92Very high91.3Very high1 Ų144 Ų440%0.00427%0.265CS..Hα-helixtrans-65.5-37.3177.1-64.4-42.1000112.5L308 N309 Y315 A316 F323 F325 L349 V352 I353 Y356 I359 F368L308-F312 HydrophobicContact CB-CE2 4.16Å; L308-F312 WeakPolarHBondContact O-CD2 3.3Å; L308-F312 VanDerWaalsContact O-CG 3.27Å; L308-F312 WeakPolarHBondContact O-CG 3.47Å; L308-F312 PolarHBondContact O-N 2.88Å; N309-F312 PolarHBondContact O-N 3.03Å; F312-Y315 CarbonylContact O-C 3.58Å; F312-Y315 PolarHBondContact O-N 2.52Å; F312-A316 WeakPolarHBondContact O-CB 3.48Å; F312-A316 PolarHBondContact O-N 3.41Å; F312-F323 HydrophobicContact CD1-CE1 4.24Å; F312-F323 HydrophobicContact CD1-CE2 4.38Å; F312-F323 AromaticContact CD1-CZ 3.9Å; F312-F323 HydrophobicContact CD1-CZ 3.9Å; F312-F323 HydrophobicContact CE1-CD1 4.32Å; F312-F323 HydrophobicContact CE1-CE1 4.02Å; F312-F323 HydrophobicContact CE1-CE2 4.21Å; F312-F323 AromaticContact CE1-CZ 3.95Å; F312-F323 HydrophobicContact CE1-CZ 3.95Å; F312-F325 HydrophobicContact CE1-CZ 4.19Å; F312-F325 HydrophobicContact CZ-CE2 4.35Å; F312-F325 AromaticContact CZ-CZ 3.92Å; F312-F325 HydrophobicContact CZ-CZ 3.92Å; F312-L349 HydrophobicContact CE2-CD1 4.31Å; F312-V352 HydrophobicContact CD2-CG1 3.74Å; F312-V352 HydrophobicContact CE2-CG1 4.06Å; F312-I353 HydrophobicContact CE2-CG1 3.88Å; F312-I353 HydrophobicContact CZ-CD1 4.4Å; F312-I353 HydrophobicContact CZ-CG1 3.89Å; F312-Y356 HydrophobicContact CB-CD2 3.74Å; F312-Y356 HydrophobicContact CB-CE2 3.79Å; F312-Y356 HydrophobicContact CB-CG 4.26Å; F312-I359 HydrophobicContact CB-CD1 3.82Å; F312-I359 HydrophobicContact CD1-CD1 3.99Å; F312-I359 HydrophobicContact CG-CD1 4.26Å; F312-I359 WeakPolarHBondContact O-CD1 3.33Å; F312-F368 AromaticContact CE1-CE1 4Å; F312-F368 HydrophobicContact CE1-CE1 4Å; F312-F368 HydrophobicContact CE1-CZ 4.43Å; F312-F368 HydrophobicContact CZ-CE1 4.21Å
313S91.1Very high91.4Very high58 Ų5839.1 Ų39.141%0.40624%0.235SC..Hα-helixtrans-65.8-38.7174.674.80000112.2N309 I310 A316 Y356N309-S313 WeakPolarHBondContact O-CB 3.5Å; N309-S313 PolarHBondContact O-N 2.81Å; I310-S313 PolarHBondContact O-N 2.61Å; I310-S313 PolarHBondContact O-OG 3.13Å; S313-A316 WeakPolarHBondContact O-CB 3.34Å; S313-A316 PolarHBondContact O-N 3.12Å; S313-Y356 WeakPolarHBondContact CB-OH 3.39Å
314G89.6Confident91.6Very high58 Ų5833.4 Ų33.460%0.59821%0.209SC*.Hα-helixtrans-63.5-40.1174.700000113.2I310 M311I310-G314 PolarHBondContact O-N 3.35Å; M311-G314 PolarHBondContact O-N 3.3Å
315Y90.1Very high91.7Very high34 Ų3433.5 Ų33.513%0.13321%0.209CC..Hα-helixtrans-86.4-0.3177.2-74.2-62.3000114.4M290 V292 M311 F312 A317 L318 P319 F323 F516 V518M290-Y315 HydrophobicContact SD-CD1 4.23Å; M290-Y315 HydrophobicContact SD-CE1 3.93Å; V292-Y315 HydrophobicContact CG1-CE2 4.5Å; V292-Y315 HydrophobicContact CG2-CE1 4.44Å; V292-Y315 HydrophobicContact CG2-CE2 3.89Å; M311-Y315 HydrophobicContact CG-CD2 3.84Å; M311-Y315 HydrophobicContact CG-CE2 3.86Å; M311-Y315 VanDerWaalsContact O-CD2 3.25Å; M311-Y315 WeakPolarHBondContact O-CD2 3.46Å; M311-Y315 PolarHBondContact O-N 2.92Å; F312-Y315 CarbonylContact O-C 3.58Å; F312-Y315 PolarHBondContact O-N 2.52Å; Y315-A317 PolarHBondContact O-N 2.98Å; Y315-L318 CarbonylContact O-C 3.58Å; Y315-L318 PolarHBondContact O-N 3.01Å; Y315-P319 WeakPolarHBondContact O-CA 3.47Å; Y315-F323 HydrophobicContact CD2-CE1 4.16Å; Y315-F323 HydrophobicContact CD2-CZ 4.25Å; Y315-F516 HydrophobicContact CE2-CE2 4.02Å; Y315-F516 HydrophobicContact CE2-CZ 4.1Å; Y315-F516 WeakPolarHBondContact OH-CE2 2.86Å; Y315-V518 VanDerWaalsContact OH-CG2 3.23Å; Y315-V518 WeakPolarHBondContact OH-CG2 3.24Å
316A86Confident91.9Very high29 Ų2932.4 Ų32.424%0.2420%0.204CC..THydrogen-bonded Turntrans-63.2-27.5-178.300000112.9F312 S313 Y356 S358F312-A316 WeakPolarHBondContact O-CB 3.48Å; F312-A316 PolarHBondContact O-N 3.41Å; S313-A316 WeakPolarHBondContact O-CB 3.34Å; S313-A316 PolarHBondContact O-N 3.12Å; A316-Y356 HydrophobicContact CB-CD1 4.14Å; A316-S358 WeakPolarHBondContact O-CB 3.25Å; A316-S358 PolarHBondContact O-OG 2.95Å
317A85.5Confident91.9Very high99 Ų9927.1 Ų27.182%0.81818%0.179SC*.SBendtrans-79.7-38.8178.300000113Y315Y315-A317 PolarHBondContact O-N 2.98Å
318L85.3Confident91.8Very high90 Ų9026.1 Ų26.147%0.47118%0.175SC..SBendtrans-133.389.1177.8-169.571000108.7M290 Y315M290-L318 HydrophobicContact CE-CB 4.28Å; M290-L318 HydrophobicContact CE-CD2 3.53Å; M290-L318 HydrophobicContact CE-CG 3.52Å; M290-L318 WeakPolarHBondContact CE-O 3.37Å; Y315-L318 CarbonylContact O-C 3.58Å; Y315-L318 PolarHBondContact O-N 3.01Å
319P87.9Confident91.9Very high37 Ų3726.2 Ų26.224%0.2418%0.175CC..  trans-71.6134.5-173.627.9-34000110.8Y315 I359Y315-P319 WeakPolarHBondContact O-CA 3.47Å; P319-I359 HydrophobicContact CB-CG1 4.37Å
320P91.1Very high91.8Very high0 Ų023.9 Ų23.90%016%0.163CC..  trans-69.6158.2-17928.4-36.2000112.5M290 V292 C322 F323 S366M290-P320 HydrophobicContact CG-CB 3.39Å; M290-P320 HydrophobicContact SD-CB 3.58Å; M290-P320 VanDerWaalsContact SD-CB 3.58Å; V292-P320 HydrophobicContact CG2-CB 3.84Å; V292-P320 HydrophobicContact CG2-CG 3.93Å; P320-C322 VanDerWaalsContact C-N 3.29Å; P320-C322 PolarHBondContact O-N 2.88Å; P320-F323 HydrophobicContact CG-CD1 4.26Å; P320-F323 HydrophobicContact CG-CD2 3.78Å; P320-F323 HydrophobicContact CG-CE1 3.71Å; P320-F323 HydrophobicContact CG-CE2 3.18Å; P320-F323 HydrophobicContact CG-CG 4.29Å; P320-F323 HydrophobicContact CG-CZ 3.14Å; P320-S366 VanDerWaalsContact O-CA 3.23Å; P320-S366 WeakPolarHBondContact O-CA 3.34Å; P320-S366 VanDerWaalsContact O-CB 3.23Å; P320-S366 WeakPolarHBondContact O-CB 3.28Å; P320-S366 PolarHBondContact O-OG 3.11Å
321T91.4Very high91.6Very high14 Ų1423.8 Ų23.89%0.08617%0.168CC..SBendtrans-63.9-37.4174.2-46.50000111.5F87 A289 M290 R367 Y414F87-T321 HydrophobicContact CD1-CG2 4.29Å; F87-T321 HydrophobicContact CE1-CG2 4.37Å; A289-T321 WeakPolarHBondContact CA-OG1 3.41Å; M290-T321 PolarHBondContact N-OG1 2.89Å; M290-T321 VanDerWaalsContact N-OG1 3.16Å; M290-T321 WeakPolarHBondContact O-CB 3.44Å; M290-T321 PolarHBondContact O-N 3.14Å; T321-R367 PolarHBondContact O-N 3.38Å; T321-Y414 HydrophobicContact CG2-CE2 4.17Å
322C93.3Very high91.2Very high0 Ų026.1 Ų26.10%019%0.188CC..EExtended strand (participates in β ladder)trans-150.5137-179.6-168.30000112.8F87 M290 F291 V292 P320 R367F87-C322 HydrophobicContact CE1-CB 3.83Å; F87-C322 HydrophobicContact CZ-CB 3.91Å; M290-C322 PolarHBondContact O-N 3.15Å; F291-C322 WeakPolarHBondContact CA-O 3.17Å; F291-C322 HydrophobicContact CD1-CB 3.5Å; F291-C322 VanDerWaalsContact CD1-CB 3.5Å; F291-C322 HydrophobicContact CE1-CB 3.7Å; F291-C322 HydrophobicContact CG-CB 4.44Å; V292-C322 PolarHBondContact N-O 3.36Å; P320-C322 VanDerWaalsContact C-N 3.29Å; P320-C322 PolarHBondContact O-N 2.88Å; C322-R367 CarbonylContact C-O 3.58Å; C322-R367 VanDerWaalsContact CA-O 3.3Å; C322-R367 WeakPolarHBondContact CA-O 3.47Å
323F95.6Very high90.4Very high0 Ų027 Ų270%019%0.194CC..EExtended strand (participates in β ladder)trans-98.7124.7160.6-69-84.1000109.4V292 M311 F312 Y315 P320 F325 I359 R367 F368 V369V292-F323 HydrophobicContact CB-CD1 3.65Å; V292-F323 HydrophobicContact CB-CE1 3.94Å; V292-F323 HydrophobicContact CG1-CD1 3.8Å; V292-F323 HydrophobicContact CG1-CE1 3.99Å; V292-F323 HydrophobicContact CG2-CD1 4.21Å; V292-F323 HydrophobicContact CG2-CE1 4.03Å; V292-F323 CarbonylContact O-C 3.6Å; M311-F323 HydrophobicContact CE-CD1 4.03Å; M311-F323 HydrophobicContact CE-CE1 3.83Å; M311-F323 HydrophobicContact SD-CE1 4.39Å; F312-F323 HydrophobicContact CD1-CE1 4.24Å; F312-F323 HydrophobicContact CD1-CE2 4.38Å; F312-F323 AromaticContact CD1-CZ 3.9Å; F312-F323 HydrophobicContact CD1-CZ 3.9Å; F312-F323 HydrophobicContact CE1-CD1 4.32Å; F312-F323 HydrophobicContact CE1-CE1 4.02Å; F312-F323 HydrophobicContact CE1-CE2 4.21Å; F312-F323 AromaticContact CE1-CZ 3.95Å; F312-F323 HydrophobicContact CE1-CZ 3.95Å; Y315-F323 HydrophobicContact CD2-CE1 4.16Å; Y315-F323 HydrophobicContact CD2-CZ 4.25Å; P320-F323 HydrophobicContact CG-CD1 4.26Å; P320-F323 HydrophobicContact CG-CD2 3.78Å; P320-F323 HydrophobicContact CG-CE1 3.71Å; P320-F323 HydrophobicContact CG-CE2 3.18Å; P320-F323 HydrophobicContact CG-CG 4.29Å; P320-F323 HydrophobicContact CG-CZ 3.14Å; F323-F325 HydrophobicContact CB-CE1 4.5Å; F323-F325 HydrophobicContact CB-CE2 4.11Å; F323-F325 HydrophobicContact CB-CZ 4.04Å; F323-F325 HydrophobicContact CD1-CZ 4.24Å; F323-F325 HydrophobicContact CG-CZ 4.34Å; F323-I359 HydrophobicContact CE2-CG2 3.99Å; F323-R367 PolarHBondContact N-O 2.91Å; F323-F368 HydrophobicContact CB-CD1 3.66Å; F323-F368 HydrophobicContact CB-CE1 3.86Å; F323-F368 HydrophobicContact CD2-CD1 4.04Å; F323-F368 AromaticContact CD2-CE1 3.45Å; F323-F368 HydrophobicContact CD2-CE1 3.45Å; F323-F368 VanDerWaalsContact CD2-CE1 3.45Å; F323-F368 AromaticContact CD2-CZ 3.75Å; F323-F368 HydrophobicContact CD2-CZ 3.75Å; F323-F368 HydrophobicContact CE2-CE1 4.16Å; F323-F368 HydrophobicContact CE2-CZ 4.16Å; F323-F368 HydrophobicContact CG-CD1 4.15Å; F323-F368 AromaticContact CG-CE1 3.82Å; F323-F368 HydrophobicContact CG-CE1 3.82Å; F323-F368 CarbonylContact O-C 3.56Å; F323-F368 WeakPolarHBondContact O-CA 3.25Å; F323-V369 PolarHBondContact O-N 3.05Å
324I97.3Very high89.6Confident1 Ų133.4 Ų33.41%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-108.5106.1176-63.8161.1000107.1F291 V292 I293 V294 V369 I412 I421F291-I324 HydrophobicContact CB-CD1 4.4Å; F291-I324 HydrophobicContact CD1-CD1 4.08Å; V292-I324 PolarHBondContact O-N 3.48Å; I293-I324 HydrophobicContact CG1-CB 4.38Å; I293-I324 HydrophobicContact CG1-CD1 3.98Å; I293-I324 HydrophobicContact CG2-CG2 4.48Å; V294-I324 PolarHBondContact N-O 3.45Å; I324-V369 WeakPolarHBondContact CA-O 3.48Å; I324-V369 HydrophobicContact CG1-CB 4.34Å; I324-I412 HydrophobicContact CD1-CD1 4.04Å; I324-I412 HydrophobicContact CG1-CD1 4.26Å; I324-I421 HydrophobicContact CD1-CD1 3.73Å; I324-I421 HydrophobicContact CG1-CD1 4.22Å; I324-I421 HydrophobicContact CG2-CD1 3.78Å; I324-I421 HydrophobicContact CG2-CG2 4.38Å
325F97.2Very high88.7Confident1 Ų133 Ų330%0.00421%0.206CC..EExtended strand (participates in β ladder)trans-99.9108174.7-63.7-46.5000109.8V294 V297 L308 M311 F312 F323 F329 F368 V369 F370 V371V294-F325 HydrophobicContact CB-CD1 3.98Å; V294-F325 HydrophobicContact CB-CE1 4.28Å; V294-F325 HydrophobicContact CG2-CD1 4.04Å; V294-F325 HydrophobicContact CG2-CE1 3.88Å; V297-F325 HydrophobicContact CG2-CB 4.22Å; V297-F325 HydrophobicContact CG2-CD1 3.92Å; V297-F325 HydrophobicContact CG2-CG 4.42Å; L308-F325 HydrophobicContact CD2-CE1 4.06Å; L308-F325 HydrophobicContact CD2-CZ 4.3Å; M311-F325 HydrophobicContact CE-CE1 3.99Å; M311-F325 HydrophobicContact CE-CZ 4.04Å; F312-F325 HydrophobicContact CE1-CZ 4.19Å; F312-F325 HydrophobicContact CZ-CE2 4.35Å; F312-F325 AromaticContact CZ-CZ 3.92Å; F312-F325 HydrophobicContact CZ-CZ 3.92Å; F323-F325 HydrophobicContact CB-CE1 4.5Å; F323-F325 HydrophobicContact CB-CE2 4.11Å; F323-F325 HydrophobicContact CB-CZ 4.04Å; F323-F325 HydrophobicContact CD1-CZ 4.24Å; F323-F325 HydrophobicContact CG-CZ 4.34Å; F325-F329 HydrophobicContact CB-CE1 4.09Å; F325-F329 WeakPolarHBondContact O-CZ 3.23Å; F325-F368 HydrophobicContact CD2-CD1 4.26Å; F325-F368 AromaticContact CE2-CD1 3.65Å; F325-F368 HydrophobicContact CE2-CD1 3.65Å; F325-F368 AromaticContact CE2-CE1 3.94Å; F325-F368 HydrophobicContact CE2-CE1 3.94Å; F325-F368 HydrophobicContact CZ-CE1 4.47Å; F325-V369 PolarHBondContact N-O 2.89Å; F325-F370 HydrophobicContact CB-CD1 3.96Å; F325-F370 HydrophobicContact CB-CE1 4.11Å; F325-F370 HydrophobicContact CD2-CD1 4.28Å; F325-F370 AromaticContact CD2-CE1 3.62Å; F325-F370 HydrophobicContact CD2-CE1 3.62Å; F325-F370 AromaticContact CD2-CZ 3.85Å; F325-F370 HydrophobicContact CD2-CZ 3.85Å; F325-F370 HydrophobicContact CG-CE1 4.31Å; F325-F370 WeakPolarHBondContact O-CA 3.21Å; F325-V371 PolarHBondContact O-N 3.39Å
326C96.8Very high88Confident0 Ų042.1 Ų42.10%025%0.246CC..EExtended strand (participates in β ladder)trans-89.3137.3171.4-62.10000109.6V294 D296 V297 V371 R423 A488V294-C326 WeakPolarHBondContact O-CB 3.47Å; V294-C326 PolarHBondContact O-N 2.95Å; D296-C326 PolarHBondContact N-O 3.3Å; D296-C326 VanDerWaalsContact N-O 3.13Å; V297-C326 PolarHBondContact N-O 3.03Å; C326-V371 CarbonylContact C-O 3.59Å; C326-V371 WeakPolarHBondContact CA-O 3.41Å; C326-R423 HydrophobicContact CB-CB 4.09Å; C326-R423 HydrophobicContact CB-CG 4.27Å; C326-A488 HydrophobicContact CB-CB 3.75Å
327G92.4Very high87.7Confident0 Ų044.9 Ų44.90%026%0.261CS..SBendtrans-60.8179.2172.500000112.1D296 V371 R423D296-G327 PolarHBondContact N-O 3.35Å; D296-G327 VanDerWaalsContact N-O 3.09Å; G327-V371 PolarHBondContact N-O 2.88Å; G327-R423 WeakPolarHBondContact O-CD 3.35Å; G327-R423 VanDerWaalsContact O-CG 3.29Å; G327-R423 WeakPolarHBondContact O-CG 3.37Å; G327-R423 PolarHBondContact O-NE 3.16Å
328N94Very high87.7Confident2 Ų242.4 Ų42.41%0.01123%0.232CC..  cis-71142.22.4-60-25.2000111.2D296 V297 W298 G373 P374 E375D296-N328 CarbonylContact C-O 3.57Å; D296-N328 PolarHBondContact OD1-N 3.47Å; D296-N328 VanDerWaalsContact OD1-N 3.1Å; V297-N328 CarbonylContact C-O 3.56Å; V297-N328 PolarHBondContact N-O 3.39Å; W298-N328 VanDerWaalsContact CD1-O 3.31Å; N328-G373 VanDerWaalsContact OD1-C 3.32Å; N328-G373 VanDerWaalsContact OD1-CA 3.25Å; N328-G373 WeakPolarHBondContact OD1-CA 3.38Å; N328-P374 WeakPolarHBondContact OD1-CD 3.38Å; N328-E375 HydrophobicContact CB-CB 4.5Å; N328-E375 WeakPolarHBondContact ND2-CB 3.2Å; N328-E375 VanDerWaalsContact ND2-CG 3.26Å; N328-E375 WeakPolarHBondContact ND2-CG 3.47Å; N328-E375 PolarHBondContact ND2-OE2 3.06Å; N328-E375 PolarHBondContact OD1-N 3.43Å
329F94.2Very high87.8Confident3 Ų341.8 Ų41.81%0.01323%0.229CC..  trans-89.4-5.8-177.6-65.3-63.8000114.3V297 L299 F325 L342 F370 D376 L388V297-F329 HydrophobicContact CB-CD1 4.38Å; V297-F329 CarbonylContact O-C 3.6Å; V297-F329 VanDerWaalsContact O-CA 3.28Å; V297-F329 WeakPolarHBondContact O-CA 3.4Å; L299-F329 HydrophobicContact CD1-CB 4.36Å; L299-F329 HydrophobicContact CD1-CD1 4.29Å; L299-F329 PolarHBondContact N-O 2.83Å; F325-F329 HydrophobicContact CB-CE1 4.09Å; F325-F329 WeakPolarHBondContact O-CZ 3.23Å; F329-L342 HydrophobicContact CB-CD1 3.67Å; F329-F370 AromaticContact CE1-CD1 3.8Å; F329-F370 HydrophobicContact CE1-CD1 3.8Å; F329-F370 HydrophobicContact CE1-CE1 4.49Å; F329-F370 HydrophobicContact CZ-CB 4.02Å; F329-F370 AromaticContact CZ-CD1 3.77Å; F329-F370 HydrophobicContact CZ-CD1 3.77Å; F329-F370 HydrophobicContact CZ-CG 4.4Å; F329-D376 WeakPolarHBondContact CD2-OD2 2.94Å; F329-D376 PolarHBondContact N-OD1 3.15Å; F329-L388 HydrophobicContact CD2-CD1 4.05Å; F329-L388 HydrophobicContact CE2-CD1 4.14Å
330S91.6Very high87.8Confident13 Ų1347.1 Ų47.19%0.09125%0.248CC..  trans-133.2140176.6177.80000110.1D300 A332D300-S330 WeakPolarHBondContact OD1-CA 3.43Å; D300-S330 PolarHBondContact OD2-OG 3.02Å; S330-A332 VanDerWaalsContact C-N 3.35Å; S330-A332 PolarHBondContact OG-N 3.05Å; S330-A332 PolarHBondContact OG-O 3.4Å
331S89.3Confident87.8Confident54 Ų5449.3 Ų49.338%0.37826%0.263SS..SBendtrans-72.9-29.1174.674.90000112.8D300 P333D300-S331 PolarHBondContact OD1-N 3.25Å; D300-S331 WeakPolarHBondContact OD2-CB 3.16Å; D300-S331 PolarHBondContact OD2-N 2.89Å; D300-S331 PolarHBondContact OD2-OG 2.99Å; S331-P333 WeakPolarHBondContact O-CD 3.46Å
332A84.1Confident87.8Confident55 Ų5548.9 Ų48.946%0.45526%0.261SS..  trans-119.184.4-17800000110.4S330 Y334S330-A332 VanDerWaalsContact C-N 3.35Å; S330-A332 PolarHBondContact OG-N 3.05Å; S330-A332 PolarHBondContact OG-O 3.4Å; A332-Y334 PolarHBondContact O-N 3.49Å
333P75.1Confident87.8Confident19 Ų1953.6 Ų53.612%0.12328%0.278CS..  trans-72.510.3-178.532.7-38.6000113.8S331 Q338 E375S331-P333 WeakPolarHBondContact O-CD 3.46Å; P333-Q338 PolarHBondContact O-NE2 2.92Å; P333-E375 HydrophobicContact CB-CB 3.73Å; P333-E375 WeakPolarHBondContact CB-O 3.43Å; P333-E375 HydrophobicContact CG-CB 3.94Å; P333-E375 HydrophobicContact CG-CG 4.41Å
334Y74.1Confident87.6Confident193 Ų19359.5 Ų59.576%0.75731%0.306SS*.  trans-105.9126.2-175.4-50.1-73.8000110.5A332A332-Y334 PolarHBondContact O-N 3.49Å
335G71.6Confident87.5Confident49 Ų4960.1 Ų60.151%0.50531%0.31SS..SBendtrans140.7153.6167.300000114.4T337 Q338G335-T337 PolarHBondContact O-N 3.18Å; G335-T337 VanDerWaalsContact O-N 3.12Å; G335-Q338 WeakPolarHBondContact O-CB 3.29Å; G335-Q338 PolarHBondContact O-N 3.37Å
336K73.9Confident87.3Confident225 Ų22560.2 Ų60.298%0.97831%0.311SS*.THydrogen-bonded Turntrans-64.7-15.5179.1-66.6-179.2178.91790113.4
337T80.8Confident87.2Confident88 Ų8864 Ų6454%0.5433%0.327SS..THydrogen-bonded Turntrans-103.27.4-178.348.60000113.5G335 I339 K340 S341G335-T337 PolarHBondContact O-N 3.18Å; G335-T337 VanDerWaalsContact O-N 3.12Å; T337-I339 VanDerWaalsContact C-N 3.33Å; T337-I339 PolarHBondContact O-N 3.33Å; T337-K340 PolarHBondContact O-N 3.43Å; T337-S341 PolarHBondContact O-N 3.46Å
338Q84.7Confident87.3Confident47 Ų4767.4 Ų67.422%0.2235%0.348CS..Hα-helixtrans-50.5-49.1-176.8-172.1-171.317.900112.7P333 G335 K340 S341 L342 E375 P377P333-Q338 PolarHBondContact O-NE2 2.92Å; G335-Q338 WeakPolarHBondContact O-CB 3.29Å; G335-Q338 PolarHBondContact O-N 3.37Å; Q338-K340 VanDerWaalsContact C-N 3.33Å; Q338-K340 PolarHBondContact O-N 3.23Å; Q338-S341 PolarHBondContact O-N 3.23Å; Q338-L342 WeakPolarHBondContact O-CB 3.42Å; Q338-L342 PolarHBondContact O-N 2.87Å; Q338-E375 PolarHBondContact NE2-O 2.98Å; Q338-E375 VanDerWaalsContact NE2-O 3.16Å; Q338-P377 HydrophobicContact CG-CG 4.21Å
339I87.5Confident87.3Confident77 Ų7767.4 Ų67.440%0.39535%0.348SS..Hα-helixtrans-62.8-39.8179.9-64.2171.7000111.7T337 R343 P377 I392T337-I339 VanDerWaalsContact C-N 3.33Å; T337-I339 PolarHBondContact O-N 3.33Å; I339-R343 WeakPolarHBondContact O-CB 3.32Å; I339-R343 PolarHBondContact O-N 2.9Å; I339-P377 HydrophobicContact CG1-CB 4.19Å; I339-P377 HydrophobicContact CG1-CG 4.35Å; I339-I392 HydrophobicContact CG1-CD1 4.41Å; I339-I392 HydrophobicContact CG2-CD1 3.99Å; I339-I392 HydrophobicContact CG2-CG1 3.95Å
340K88.9Confident87.2Confident148 Ų14867.2 Ų67.264%0.64335%0.347SS*.Hα-helixtrans-67.5-46.6179.3-67.3-176.5178.7-177.70110.9T337 Q338 R343 E344T337-K340 PolarHBondContact O-N 3.43Å; Q338-K340 VanDerWaalsContact C-N 3.33Å; Q338-K340 PolarHBondContact O-N 3.23Å; K340-R343 PolarHBondContact O-N 3.43Å; K340-E344 WeakPolarHBondContact O-CG 3.48Å; K340-E344 PolarHBondContact O-N 2.71Å
341S90.3Very high87.2Confident47 Ų4770.6 Ų70.633%0.32937%0.365SS..Hα-helixtrans-61.6-44.9177.5-179.20000111.3T337 Q338 R343 E344 S345T337-S341 PolarHBondContact O-N 3.46Å; Q338-S341 PolarHBondContact O-N 3.23Å; S341-R343 VanDerWaalsContact C-N 3.32Å; S341-R343 PolarHBondContact O-N 3.21Å; S341-E344 PolarHBondContact O-N 2.77Å; S341-S345 PolarHBondContact O-N 2.69Å; S341-S345 PolarHBondContact O-OG 2.73Å
342L91.8Very high87.3Confident5 Ų569.1 Ų69.13%0.02635%0.353CS..Hα-helixtrans-61-41.3176.5-179.760.2000111.9F329 Q338 E344 S345 L346 P377 L388 I392F329-L342 HydrophobicContact CB-CD1 3.67Å; Q338-L342 WeakPolarHBondContact O-CB 3.42Å; Q338-L342 PolarHBondContact O-N 2.87Å; L342-E344 VanDerWaalsContact C-N 3.34Å; L342-E344 PolarHBondContact O-N 3.1Å; L342-S345 PolarHBondContact O-N 2.86Å; L342-L346 HydrophobicContact CD1-CD1 4.48Å; L342-L346 HydrophobicContact CD1-CG 4.36Å; L342-L346 HydrophobicContact CG-CD1 4.23Å; L342-L346 WeakPolarHBondContact O-CB 3.4Å; L342-L346 WeakPolarHBondContact O-CG 3.39Å; L342-L346 PolarHBondContact O-N 2.84Å; L342-P377 HydrophobicContact CD2-CG 3.77Å; L342-L388 HydrophobicContact CD2-CD1 4.28Å; L342-I392 HydrophobicContact CD2-CG2 4.03Å; L342-I392 HydrophobicContact CG-CG2 4.16Å
343R92.8Very high87.6Confident98 Ų9866.6 Ų66.637%0.3733%0.332SS..Hα-helixtrans-63.2-40.2175.9-176.2178.4172.8-178.72.7111.9I339 K340 S341 K347 D395I339-R343 WeakPolarHBondContact O-CB 3.32Å; I339-R343 PolarHBondContact O-N 2.9Å; K340-R343 PolarHBondContact O-N 3.43Å; S341-R343 VanDerWaalsContact C-N 3.32Å; S341-R343 PolarHBondContact O-N 3.21Å; R343-K347 WeakPolarHBondContact O-CG 3.32Å; R343-K347 PolarHBondContact O-N 3.02Å; R343-K347 VanDerWaalsContact O-N 3.09Å; R343-D395 IonicContact CZ-OD2 3.28Å; R343-D395 IonicContact NE-OD2 3.73Å; R343-D395 PolarHBondContact NE-OD2 3.15Å; R343-D395 VanDerWaalsContact NH2-CG 3.33Å; R343-D395 IonicContact NH2-OD1 3.99Å; R343-D395 PolarHBondContact NH2-OD1 2.95Å; R343-D395 IonicContact NH2-OD2 3.74Å; R343-D395 PolarHBondContact NH2-OD2 3.45Å
344E92.4Very high88.3Confident124 Ų12467.6 Ų67.658%0.57934%0.339SS*.Hα-helixtrans-65.2-45.7174.8-73169.5-170.300111.4K340 S341 L342 L346 K347 T348K340-E344 WeakPolarHBondContact O-CG 3.48Å; K340-E344 PolarHBondContact O-N 2.71Å; S341-E344 PolarHBondContact O-N 2.77Å; L342-E344 VanDerWaalsContact C-N 3.34Å; L342-E344 PolarHBondContact O-N 3.1Å; E344-L346 VanDerWaalsContact C-N 3.35Å; E344-L346 PolarHBondContact O-N 3.18Å; E344-K347 WeakPolarHBondContact O-CB 3.36Å; E344-K347 PolarHBondContact O-N 3.36Å; E344-K347 VanDerWaalsContact O-N 3.08Å; E344-T348 PolarHBondContact O-N 3Å; E344-T348 PolarHBondContact O-OG1 2.9Å
345S93.4Very high89Confident14 Ų1461.8 Ų61.810%0.09833%0.327CS..Hα-helixtrans-60.7-41176-65.60000112.8L299 S341 L342 K347 T348 L349L299-S345 PolarHBondContact O-OG 2.79Å; S341-S345 PolarHBondContact O-N 2.69Å; S341-S345 PolarHBondContact O-OG 2.73Å; L342-S345 PolarHBondContact O-N 2.86Å; S345-K347 VanDerWaalsContact C-N 3.32Å; S345-K347 PolarHBondContact O-N 2.87Å; S345-T348 PolarHBondContact O-N 3.44Å; S345-L349 PolarHBondContact O-N 3.48Å
346L94.7Very high89.7Confident3 Ų361.6 Ų61.62%0.01631%0.311CS..Hα-helixtrans-63.4-37173.5-74.9170.9000111.8L299 L342 E344 L349 A350 I392 F396 F405L299-L346 HydrophobicContact CD1-CD2 3.78Å; L299-L346 HydrophobicContact CD1-CG 4.31Å; L342-L346 HydrophobicContact CD1-CD1 4.48Å; L342-L346 HydrophobicContact CD1-CG 4.36Å; L342-L346 HydrophobicContact CG-CD1 4.23Å; L342-L346 WeakPolarHBondContact O-CB 3.4Å; L342-L346 WeakPolarHBondContact O-CG 3.39Å; L342-L346 PolarHBondContact O-N 2.84Å; E344-L346 VanDerWaalsContact C-N 3.35Å; E344-L346 PolarHBondContact O-N 3.18Å; L346-L349 PolarHBondContact O-N 3.5Å; L346-A350 WeakPolarHBondContact O-CB 3.24Å; L346-A350 PolarHBondContact O-N 3.3Å; L346-I392 HydrophobicContact CD1-CG2 3.92Å; L346-F396 HydrophobicContact CB-CD2 4.2Å; L346-F396 HydrophobicContact CD2-CD2 4.26Å; L346-F396 VanDerWaalsContact O-CD2 3.29Å; L346-F396 WeakPolarHBondContact O-CD2 3.44Å; L346-F405 HydrophobicContact CD2-CE1 4.46Å; L346-F405 HydrophobicContact CD2-CZ 4.34Å
347K93.8Very high89.9Confident80 Ų8055.2 Ų55.235%0.34829%0.293SS..Hα-helixtrans-62.3-45.8174.3-73.3173.2-178.1-176.40111.4R343 E344 S345 L349 A350 D351 D395 R399R343-K347 WeakPolarHBondContact O-CG 3.32Å; R343-K347 PolarHBondContact O-N 3.02Å; R343-K347 VanDerWaalsContact O-N 3.09Å; E344-K347 WeakPolarHBondContact O-CB 3.36Å; E344-K347 PolarHBondContact O-N 3.36Å; E344-K347 VanDerWaalsContact O-N 3.08Å; S345-K347 VanDerWaalsContact C-N 3.32Å; S345-K347 PolarHBondContact O-N 2.87Å; K347-L349 VanDerWaalsContact C-N 3.32Å; K347-L349 PolarHBondContact O-N 2.82Å; K347-A350 WeakPolarHBondContact O-CB 3.26Å; K347-A350 PolarHBondContact O-N 3.11Å; K347-A350 VanDerWaalsContact O-N 3.13Å; K347-D351 PolarHBondContact O-N 2.83Å; K347-D351 VanDerWaalsContact O-OD2 3.13Å; K347-D395 WeakPolarHBondContact CE-OD2 3.31Å; K347-D395 IonicContact NZ-OD2 2.91Å; K347-D395 PolarHBondContact NZ-OD2 3.47Å; K347-R399 PolarHBondContact O-NH1 3.34Å
348T94.3Very high89.7Confident72 Ų7253 Ų5344%0.44228%0.28SS..Hα-helixtrans-61-41.6176.3-46.90000111.4M305 E344 S345 A350 D351 V352M305-T348 HydrophobicContact CE-CG2 3.83Å; E344-T348 PolarHBondContact O-N 3Å; E344-T348 PolarHBondContact O-OG1 2.9Å; S345-T348 PolarHBondContact O-N 3.44Å; T348-A350 VanDerWaalsContact C-N 3.35Å; T348-A350 PolarHBondContact O-N 3.15Å; T348-D351 WeakPolarHBondContact O-CB 3.36Å; T348-D351 PolarHBondContact O-N 3Å; T348-V352 WeakPolarHBondContact O-CG2 2.98Å; T348-V352 PolarHBondContact O-N 3.25Å
349L94.1Very high89.2Confident1 Ų150.9 Ų50.91%0.00527%0.271CS..Hα-helixtrans-61.5-42.6173.7-177.965.2000112L299 M305 L308 F312 S345 L346 K347 D351 V352 I353 F370 F396L299-L349 HydrophobicContact CD1-CD2 4.09Å; L299-L349 HydrophobicContact CD2-CB 4.45Å; L299-L349 HydrophobicContact CD2-CD1 4.3Å; L299-L349 HydrophobicContact CD2-CD2 3.88Å; L299-L349 HydrophobicContact CD2-CG 4.43Å; M305-L349 HydrophobicContact CE-CB 4.42Å; M305-L349 HydrophobicContact CE-CD1 4.49Å; L308-L349 HydrophobicContact CD1-CD1 3.97Å; F312-L349 HydrophobicContact CE2-CD1 4.31Å; S345-L349 PolarHBondContact O-N 3.48Å; L346-L349 PolarHBondContact O-N 3.5Å; K347-L349 VanDerWaalsContact C-N 3.32Å; K347-L349 PolarHBondContact O-N 2.82Å; L349-D351 VanDerWaalsContact C-N 3.31Å; L349-D351 PolarHBondContact O-N 2.67Å; L349-V352 PolarHBondContact O-N 2.92Å; L349-I353 HydrophobicContact CD1-CD1 4.26Å; L349-I353 HydrophobicContact CG-CD1 3.94Å; L349-I353 WeakPolarHBondContact O-CG1 3.26Å; L349-I353 PolarHBondContact O-N 3.49Å; L349-F370 HydrophobicContact CD2-CE1 3.96Å; L349-F370 HydrophobicContact CD2-CZ 4.13Å; L349-F396 HydrophobicContact CB-CE2 4.26Å; L349-F396 HydrophobicContact CD2-CE2 3.99Å; L349-F396 HydrophobicContact CD2-CZ 4.32Å; L349-F396 HydrophobicContact CG-CE2 4.06Å
350A92.1Very high88Confident0 Ų049.8 Ų49.80%026%0.264CS..Hα-helixtrans-62.8-38.5175.600000111.7L346 K347 T348 I353 C354 F396 R399 V400L346-A350 WeakPolarHBondContact O-CB 3.24Å; L346-A350 PolarHBondContact O-N 3.3Å; K347-A350 WeakPolarHBondContact O-CB 3.26Å; K347-A350 PolarHBondContact O-N 3.11Å; K347-A350 VanDerWaalsContact O-N 3.13Å; T348-A350 VanDerWaalsContact C-N 3.35Å; T348-A350 PolarHBondContact O-N 3.15Å; A350-I353 PolarHBondContact O-N 3.32Å; A350-C354 VanDerWaalsContact O-CB 3.3Å; A350-C354 WeakPolarHBondContact O-CB 3.26Å; A350-C354 PolarHBondContact O-N 2.91Å; A350-C354 PolarHBondContact O-SG 3.06Å; A350-F396 HydrophobicContact CB-CD2 3.73Å; A350-F396 HydrophobicContact CB-CE2 3.86Å; A350-R399 HydrophobicContact CB-CB 4.27Å; A350-V400 HydrophobicContact CB-CG2 4.4Å
351D92.1Very high86.5Confident84 Ų8444.6 Ų44.645%0.44925%0.246SC..Hα-helixtrans-59.8-46.5173.8-69.3-44.8000111.6K347 T348 L349 C354 S355 R399K347-D351 PolarHBondContact O-N 2.83Å; K347-D351 VanDerWaalsContact O-OD2 3.13Å; T348-D351 WeakPolarHBondContact O-CB 3.36Å; T348-D351 PolarHBondContact O-N 3Å; L349-D351 VanDerWaalsContact C-N 3.31Å; L349-D351 PolarHBondContact O-N 2.67Å; D351-C354 PolarHBondContact O-N 3.41Å; D351-S355 PolarHBondContact O-N 3.27Å; D351-S355 VanDerWaalsContact O-N 3.07Å; D351-R399 VanDerWaalsContact CG-NH1 3.3Å; D351-R399 IonicContact OD1-CZ 3.79Å; D351-R399 IonicContact OD1-NH1 3.09Å; D351-R399 PolarHBondContact OD1-NH1 3.39Å; D351-R399 IonicContact OD1-NH2 3.92Å; D351-R399 PolarHBondContact OD1-NH2 3.22Å; D351-R399 IonicContact OD2-NH1 3.73Å
352V91.4Very high84.5Confident23 Ų2354 Ų5414%0.13927%0.274CS..Hα-helixtrans-62.2-46.8177.3175.70000111M305 N309 F312 T348 L349 C354 S355 Y356M305-V352 HydrophobicContact CE-CG2 3.84Å; N309-V352 HydrophobicContact CB-CG1 4.24Å; F312-V352 HydrophobicContact CD2-CG1 3.74Å; F312-V352 HydrophobicContact CE2-CG1 4.06Å; T348-V352 WeakPolarHBondContact O-CG2 2.98Å; T348-V352 PolarHBondContact O-N 3.25Å; L349-V352 PolarHBondContact O-N 2.92Å; V352-C354 VanDerWaalsContact C-N 3.34Å; V352-C354 PolarHBondContact O-N 2.86Å; V352-S355 WeakPolarHBondContact O-CB 3.1Å; V352-S355 PolarHBondContact O-N 3.45Å; V352-S355 VanDerWaalsContact O-N 3.1Å; V352-S355 PolarHBondContact O-OG 3.12Å; V352-Y356 HydrophobicContact CG1-CE2 4.49Å; V352-Y356 WeakPolarHBondContact O-CD2 3.5Å
353I90.4Very high82.2Confident1 Ų160.4 Ų60.41%0.00531%0.314CS..Hα-helixtrans-63.3-41.3179-66.8166000111.1F312 L349 A350 S355 Y356 H360 F368 F396 V400F312-I353 HydrophobicContact CE2-CG1 3.88Å; F312-I353 HydrophobicContact CZ-CD1 4.4Å; F312-I353 HydrophobicContact CZ-CG1 3.89Å; L349-I353 HydrophobicContact CD1-CD1 4.26Å; L349-I353 HydrophobicContact CG-CD1 3.94Å; L349-I353 WeakPolarHBondContact O-CG1 3.26Å; L349-I353 PolarHBondContact O-N 3.49Å; A350-I353 PolarHBondContact O-N 3.32Å; I353-S355 PolarHBondContact O-N 2.97Å; I353-Y356 PolarHBondContact O-N 3.47Å; I353-Y356 VanDerWaalsContact O-N 3.12Å; I353-H360 HydrophobicContact CG2-CB 4.25Å; I353-F368 HydrophobicContact CD1-CD1 4.27Å; I353-F368 HydrophobicContact CD1-CE1 3.87Å; I353-F368 HydrophobicContact CD1-CZ 4.01Å; I353-F368 HydrophobicContact CG1-CE1 4.32Å; I353-F368 HydrophobicContact CG1-CZ 4.19Å; I353-F368 HydrophobicContact CG2-CE2 4.02Å; I353-F368 HydrophobicContact CG2-CZ 3.89Å; I353-F396 HydrophobicContact CD1-CE2 4.25Å; I353-F396 HydrophobicContact CD1-CZ 3.81Å; I353-V400 HydrophobicContact CB-CG2 4.47Å; I353-V400 HydrophobicContact CG2-CG1 4.41Å; I353-V400 HydrophobicContact CG2-CG2 4.11Å
354C88.5Confident80.2Confident40 Ų4058.1 Ų58.127%0.2731%0.312SS..Hα-helixtrans-64.3-24.1176.9-68.40000112.6A350 D351 V352 Y356A350-C354 VanDerWaalsContact O-CB 3.3Å; A350-C354 WeakPolarHBondContact O-CB 3.26Å; A350-C354 PolarHBondContact O-N 2.91Å; A350-C354 PolarHBondContact O-SG 3.06Å; D351-C354 PolarHBondContact O-N 3.41Å; V352-C354 VanDerWaalsContact C-N 3.34Å; V352-C354 PolarHBondContact O-N 2.86Å; C354-Y356 PolarHBondContact O-N 3.17Å
355S89.3Confident78.7Confident72 Ų7256 Ų5650%0.50331%0.311SS..THydrogen-bonded Turntrans-70.3-12.7175.978.20000113.9D351 V352 I353 P357D351-S355 PolarHBondContact O-N 3.27Å; D351-S355 VanDerWaalsContact O-N 3.07Å; V352-S355 WeakPolarHBondContact O-CB 3.1Å; V352-S355 PolarHBondContact O-N 3.45Å; V352-S355 VanDerWaalsContact O-N 3.1Å; V352-S355 PolarHBondContact O-OG 3.12Å; I353-S355 PolarHBondContact O-N 2.97Å; S355-P357 VanDerWaalsContact O-CD 3.32Å; S355-P357 WeakPolarHBondContact O-CD 3.49Å
356Y85.8Confident78Confident45 Ų4555.6 Ų55.618%0.17631%0.309CS..  trans-114.387.7176-65.6-81.2000111.5N309 F312 S313 A316 V352 I353 C354 S358 I359 H360N309-Y356 PolarHBondContact O-OH 2.72Å; N309-Y356 WeakPolarHBondContact OD1-CE2 3.43Å; N309-Y356 VanDerWaalsContact OD1-CZ 3.29Å; N309-Y356 PolarHBondContact OD1-OH 2.83Å; F312-Y356 HydrophobicContact CB-CD2 3.74Å; F312-Y356 HydrophobicContact CB-CE2 3.79Å; F312-Y356 HydrophobicContact CB-CG 4.26Å; S313-Y356 WeakPolarHBondContact CB-OH 3.39Å; A316-Y356 HydrophobicContact CB-CD1 4.14Å; V352-Y356 HydrophobicContact CG1-CE2 4.49Å; V352-Y356 WeakPolarHBondContact O-CD2 3.5Å; I353-Y356 PolarHBondContact O-N 3.47Å; I353-Y356 VanDerWaalsContact O-N 3.12Å; C354-Y356 PolarHBondContact O-N 3.17Å; Y356-S358 PolarHBondContact O-N 3.1Å; Y356-S358 VanDerWaalsContact O-N 3.17Å; Y356-I359 HydrophobicContact CG-CD1 4.41Å; Y356-I359 PolarHBondContact O-N 3.09Å; Y356-H360 PolarHBondContact O-N 2.98Å
357P79.4Confident77.8Confident91 Ų9160.3 Ų60.359%0.59133%0.326SS*.Hα-helixtrans-59.8-28-179.8-23.933.4000113.8S355 I359 H360 S361S355-P357 VanDerWaalsContact O-CD 3.32Å; S355-P357 WeakPolarHBondContact O-CD 3.49Å; P357-I359 PolarHBondContact O-N 3.47Å; P357-H360 PolarHBondContact O-N 3.13Å; P357-S361 WeakPolarHBondContact O-CB 3.31Å; P357-S361 PolarHBondContact O-N 2.92Å
358S76.6Confident77.8Confident40 Ų4056.6 Ų56.628%0.2831%0.31SS..Hα-helixtrans-66.7-20.3176.354.80000113.5A316 Y356 C364A316-S358 WeakPolarHBondContact O-CB 3.25Å; A316-S358 PolarHBondContact O-OG 2.95Å; Y356-S358 PolarHBondContact O-N 3.1Å; Y356-S358 VanDerWaalsContact O-N 3.17Å; S358-C364 VanDerWaalsContact O-CB 3.32Å; S358-C364 WeakPolarHBondContact O-CB 3.35Å; S358-C364 PolarHBondContact O-SG 3.35Å
359I74.6Confident77.9Confident3 Ų353.1 Ų53.12%0.01529%0.289CS..Hα-helixtrans-100.4-35.1176.8-59.7174.6000110.3F312 P319 F323 Y356 P357 F368F312-I359 HydrophobicContact CB-CD1 3.82Å; F312-I359 HydrophobicContact CD1-CD1 3.99Å; F312-I359 HydrophobicContact CG-CD1 4.26Å; F312-I359 WeakPolarHBondContact O-CD1 3.33Å; P319-I359 HydrophobicContact CB-CG1 4.37Å; F323-I359 HydrophobicContact CE2-CG2 3.99Å; Y356-I359 HydrophobicContact CG-CD1 4.41Å; Y356-I359 PolarHBondContact O-N 3.09Å; P357-I359 PolarHBondContact O-N 3.47Å; I359-F368 HydrophobicContact CG2-CE2 4.09Å; I359-F368 HydrophobicContact CG2-CZ 3.66Å
360H61.1Low78Confident54 Ų5453.2 Ų53.225%0.2529%0.289CS..Hα-helixtrans-92-22.8-171.9177.5-104.7000115.3I353 Y356 P357 R399I353-H360 HydrophobicContact CG2-CB 4.25Å; Y356-H360 PolarHBondContact O-N 2.98Å; P357-H360 PolarHBondContact O-N 3.13Å; H360-R399 PolarHBondContact CE1-O 3.26Å; H360-R399 PolarHBondContact NE2-O 2.86Å
361S56.9Low78.3Confident39 Ų3953.2 Ų53.227%0.27329%0.289SS..SBendtrans-58.9146-169.878.10000112.2P357 T363 C364P357-S361 WeakPolarHBondContact O-CB 3.31Å; P357-S361 PolarHBondContact O-N 2.92Å; S361-T363 PolarHBondContact O-N 3.4Å; S361-C364 PolarHBondContact O-N 3.44Å; S361-C364 WeakPolarHBondContact OG-CB 3.47Å; S361-C364 PolarHBondContact OG-N 2.95Å; S361-C364 PolarHBondContact OG-SG 3.28Å; S361-C364 VanDerWaalsContact OG-SG 3.32Å
362R49.7Very low78.5Confident245 Ų24549.5 Ų49.593%0.92527%0.27SS*.THydrogen-bonded Turntrans-60.1-11.4-178.4-152.4-180-73.9172.1-4.3113.5
363T42.2Very low78.5Confident139 Ų13948.5 Ų48.585%0.85326%0.264SS*.THydrogen-bonded Turntrans-106.9-6.8177.6110000113.1S361S361-T363 PolarHBondContact O-N 3.4Å
364C51.4Low78.6Confident50 Ų5049.9 Ų49.934%0.33827%0.273SS..SBendtrans-96.4143.1177.1-86.30000112.3S358 S361 S366S358-C364 VanDerWaalsContact O-CB 3.32Å; S358-C364 WeakPolarHBondContact O-CB 3.35Å; S358-C364 PolarHBondContact O-SG 3.35Å; S361-C364 PolarHBondContact O-N 3.44Å; S361-C364 WeakPolarHBondContact OG-CB 3.47Å; S361-C364 PolarHBondContact OG-N 2.95Å; S361-C364 PolarHBondContact OG-SG 3.28Å; S361-C364 VanDerWaalsContact OG-SG 3.32Å; C364-S366 PolarHBondContact O-N 3.1Å
365S60.5Low78.7Confident79 Ų7951.8 Ų51.855%0.55228%0.278SS*.  trans-76-14.7-158.7-168.60000115.5R367S365-R367 PolarHBondContact O-N 2.82Å
366S80Confident78.8Confident7 Ų748.8 Ų48.85%0.04926%0.256CS..  trans-74.4113.5-168.6-56.30000113.1P320 C364P320-S366 VanDerWaalsContact O-CA 3.23Å; P320-S366 WeakPolarHBondContact O-CA 3.34Å; P320-S366 VanDerWaalsContact O-CB 3.23Å; P320-S366 WeakPolarHBondContact O-CB 3.28Å; P320-S366 PolarHBondContact O-OG 3.11Å; C364-S366 PolarHBondContact O-N 3.1Å
367R89.4Confident79Confident102 Ų10247.7 Ų47.739%0.38525%0.254SS..EExtended strand (participates in β ladder)trans-88.1150.3169.1-57.3-177.288.1119.2-7.1110.5F87 T321 C322 F323 S365 G402F87-R367 VanDerWaalsContact CD1-CD 3.49Å; F87-R367 HydrophobicContact CD1-CG 4.49Å; F87-R367 HydrophobicContact CE1-CB 4.14Å; F87-R367 VanDerWaalsContact CE1-CD 3.42Å; F87-R367 HydrophobicContact CE1-CG 4.12Å; T321-R367 PolarHBondContact O-N 3.38Å; C322-R367 CarbonylContact C-O 3.58Å; C322-R367 VanDerWaalsContact CA-O 3.3Å; C322-R367 WeakPolarHBondContact CA-O 3.47Å; F323-R367 PolarHBondContact N-O 2.91Å; S365-R367 PolarHBondContact O-N 2.82Å; R367-G402 WeakPolarHBondContact CA-O 3.1Å
368F93.6Very high79.3Confident1 Ų146.2 Ų46.20%0.00426%0.256CS..EExtended strand (participates in β ladder)trans-116.7118.5175.2-69-89.9000110F312 F323 F325 I353 I359 F370 V400 G402 S403 V404F312-F368 AromaticContact CE1-CE1 4Å; F312-F368 HydrophobicContact CE1-CE1 4Å; F312-F368 HydrophobicContact CE1-CZ 4.43Å; F312-F368 HydrophobicContact CZ-CE1 4.21Å; F323-F368 HydrophobicContact CB-CD1 3.66Å; F323-F368 HydrophobicContact CB-CE1 3.86Å; F323-F368 HydrophobicContact CD2-CD1 4.04Å; F323-F368 AromaticContact CD2-CE1 3.45Å; F323-F368 HydrophobicContact CD2-CE1 3.45Å; F323-F368 VanDerWaalsContact CD2-CE1 3.45Å; F323-F368 AromaticContact CD2-CZ 3.75Å; F323-F368 HydrophobicContact CD2-CZ 3.75Å; F323-F368 HydrophobicContact CE2-CE1 4.16Å; F323-F368 HydrophobicContact CE2-CZ 4.16Å; F323-F368 HydrophobicContact CG-CD1 4.15Å; F323-F368 AromaticContact CG-CE1 3.82Å; F323-F368 HydrophobicContact CG-CE1 3.82Å; F323-F368 CarbonylContact O-C 3.56Å; F323-F368 WeakPolarHBondContact O-CA 3.25Å; F325-F368 HydrophobicContact CD2-CD1 4.26Å; F325-F368 AromaticContact CE2-CD1 3.65Å; F325-F368 HydrophobicContact CE2-CD1 3.65Å; F325-F368 AromaticContact CE2-CE1 3.94Å; F325-F368 HydrophobicContact CE2-CE1 3.94Å; F325-F368 HydrophobicContact CZ-CE1 4.47Å; I353-F368 HydrophobicContact CD1-CD1 4.27Å; I353-F368 HydrophobicContact CD1-CE1 3.87Å; I353-F368 HydrophobicContact CD1-CZ 4.01Å; I353-F368 HydrophobicContact CG1-CE1 4.32Å; I353-F368 HydrophobicContact CG1-CZ 4.19Å; I353-F368 HydrophobicContact CG2-CE2 4.02Å; I353-F368 HydrophobicContact CG2-CZ 3.89Å; I359-F368 HydrophobicContact CG2-CE2 4.09Å; I359-F368 HydrophobicContact CG2-CZ 3.66Å; F368-F370 HydrophobicContact CB-CD2 4.49Å; F368-F370 HydrophobicContact CB-CE2 3.72Å; F368-F370 HydrophobicContact CB-CZ 4.35Å; F368-V400 HydrophobicContact CD2-CG1 3.85Å; F368-V400 HydrophobicContact CE2-CG1 4.19Å; F368-G402 PolarHBondContact N-O 3.44Å; F368-S403 CarbonylContact O-C 3.57Å; F368-S403 VanDerWaalsContact O-CA 3.28Å; F368-S403 WeakPolarHBondContact O-CA 3.24Å; F368-V404 PolarHBondContact O-N 2.85Å
369V96.6Very high79.4Confident0 Ų047.3 Ų47.30%026%0.262CS..EExtended strand (participates in β ladder)trans-110.9122.9179.1-178.40000109.2I89 F323 I324 F325 V371 V404 T406 I412I89-V369 HydrophobicContact CD1-CG2 3.45Å; I89-V369 VanDerWaalsContact CD1-CG2 3.45Å; I89-V369 HydrophobicContact CG1-CG2 4.18Å; F323-V369 PolarHBondContact O-N 3.05Å; I324-V369 WeakPolarHBondContact CA-O 3.48Å; I324-V369 HydrophobicContact CG1-CB 4.34Å; F325-V369 PolarHBondContact N-O 2.89Å; V369-V371 HydrophobicContact CG1-CG2 4.23Å; V369-V404 WeakPolarHBondContact CA-O 3.09Å; V369-T406 HydrophobicContact CG1-CG2 3.78Å; V369-I412 HydrophobicContact CG1-CD1 4.39Å; V369-I412 HydrophobicContact CG2-CD1 4.32Å
370F97.3Very high79.3Confident2 Ų247.7 Ų47.71%0.00927%0.267CS..EExtended strand (participates in β ladder)trans-108.6116.3178.6-65-93.6000109.7F325 F329 L349 F368 F396 V404 F405 T406F325-F370 HydrophobicContact CB-CD1 3.96Å; F325-F370 HydrophobicContact CB-CE1 4.11Å; F325-F370 HydrophobicContact CD2-CD1 4.28Å; F325-F370 AromaticContact CD2-CE1 3.62Å; F325-F370 HydrophobicContact CD2-CE1 3.62Å; F325-F370 AromaticContact CD2-CZ 3.85Å; F325-F370 HydrophobicContact CD2-CZ 3.85Å; F325-F370 HydrophobicContact CG-CE1 4.31Å; F325-F370 WeakPolarHBondContact O-CA 3.21Å; F329-F370 AromaticContact CE1-CD1 3.8Å; F329-F370 HydrophobicContact CE1-CD1 3.8Å; F329-F370 HydrophobicContact CE1-CE1 4.49Å; F329-F370 HydrophobicContact CZ-CB 4.02Å; F329-F370 AromaticContact CZ-CD1 3.77Å; F329-F370 HydrophobicContact CZ-CD1 3.77Å; F329-F370 HydrophobicContact CZ-CG 4.4Å; L349-F370 HydrophobicContact CD2-CE1 3.96Å; L349-F370 HydrophobicContact CD2-CZ 4.13Å; F368-F370 HydrophobicContact CB-CD2 4.49Å; F368-F370 HydrophobicContact CB-CE2 3.72Å; F368-F370 HydrophobicContact CB-CZ 4.35Å; F370-F396 HydrophobicContact CE2-CD1 4.42Å; F370-F396 AromaticContact CE2-CE1 3.58Å; F370-F396 HydrophobicContact CE2-CE1 3.58Å; F370-F396 AromaticContact CE2-CZ 3.93Å; F370-F396 HydrophobicContact CE2-CZ 3.93Å; F370-F396 AromaticContact CZ-CE1 3.71Å; F370-F396 HydrophobicContact CZ-CE1 3.71Å; F370-F396 HydrophobicContact CZ-CE2 4.38Å; F370-F396 AromaticContact CZ-CZ 3.56Å; F370-F396 HydrophobicContact CZ-CZ 3.56Å; F370-V404 PolarHBondContact N-O 3.15Å; F370-F405 HydrophobicContact CB-CD1 3.38Å; F370-F405 HydrophobicContact CB-CE1 3.59Å; F370-F405 HydrophobicContact CB-CG 4.01Å; F370-F405 HydrophobicContact CB-CZ 4.35Å; F370-F405 AromaticContact CD1-CE1 3.93Å; F370-F405 HydrophobicContact CD1-CE1 3.93Å; F370-F405 HydrophobicContact CD1-CZ 4.31Å; F370-F405 HydrophobicContact CD2-CD1 4.17Å; F370-F405 HydrophobicContact CD2-CD2 4.29Å; F370-F405 AromaticContact CD2-CE1 3.81Å; F370-F405 HydrophobicContact CD2-CE1 3.81Å; F370-F405 AromaticContact CD2-CE2 3.94Å; F370-F405 HydrophobicContact CD2-CE2 3.94Å; F370-F405 HydrophobicContact CD2-CG 4.39Å; F370-F405 AromaticContact CD2-CZ 3.69Å; F370-F405 HydrophobicContact CD2-CZ 3.69Å; F370-F405 HydrophobicContact CE2-CE1 4.47Å; F370-F405 HydrophobicContact CE2-CE2 4.29Å; F370-F405 AromaticContact CE2-CZ 3.99Å; F370-F405 HydrophobicContact CE2-CZ 3.99Å; F370-F405 AromaticContact CG-CD1 3.83Å; F370-F405 HydrophobicContact CG-CD1 3.83Å; F370-F405 AromaticContact CG-CE1 3.5Å; F370-F405 HydrophobicContact CG-CE1 3.5Å; F370-F405 VanDerWaalsContact CG-CE1 3.5Å; F370-F405 HydrophobicContact CG-CE2 4.47Å; F370-F405 HydrophobicContact CG-CG 4.45Å; F370-F405 AromaticContact CG-CZ 3.86Å; F370-F405 HydrophobicContact CG-CZ 3.86Å; F370-F405 HydrophobicContact CZ-CZ 4.43Å; F370-T406 PolarHBondContact O-N 2.79Å
371V97.1Very high80.4Confident0 Ų049.5 Ų49.50%029%0.285CS..EExtended strand (participates in β ladder)trans-106.2116178.1-177.60000108.7F325 C326 G327 V369 T406 N408 C410 I421 R423F325-V371 PolarHBondContact O-N 3.39Å; C326-V371 CarbonylContact C-O 3.59Å; C326-V371 WeakPolarHBondContact CA-O 3.41Å; G327-V371 PolarHBondContact N-O 2.88Å; V369-V371 HydrophobicContact CG1-CG2 4.23Å; V371-T406 HydrophobicContact CG2-CG2 3.92Å; V371-N408 HydrophobicContact CG1-CB 3.78Å; V371-C410 VanDerWaalsContact CG2-SG 3.59Å; V371-I421 HydrophobicContact CG2-CG2 4.07Å; V371-R423 HydrophobicContact CG1-CB 4.33Å
372P95.7Very high82.2Confident7 Ų750 Ų505%0.04529%0.285CS..  trans-69.4136.4-173.927.4-34.6000111.8R385 L388 T406 N408P372-R385 PolarHBondContact O-NH1 3.26Å; P372-L388 HydrophobicContact CB-CD2 4.25Å; P372-L388 HydrophobicContact CB-CG 4.44Å; P372-T406 WeakPolarHBondContact CD-O 3.42Å; P372-N408 HydrophobicContact CG-CB 4.06Å; P372-N408 VanDerWaalsContact O-CB 3.28Å; P372-N408 WeakPolarHBondContact O-CB 3.29Å; P372-N408 PolarHBondContact O-ND2 3.28Å
373G93.3Very high84.3Confident2 Ų238.5 Ų38.52%0.02124%0.241CC..  trans-83175.8174.300000113.6N328 E375 D376 R385N328-G373 VanDerWaalsContact OD1-C 3.32Å; N328-G373 VanDerWaalsContact OD1-CA 3.25Å; N328-G373 WeakPolarHBondContact OD1-CA 3.38Å; G373-E375 VanDerWaalsContact C-N 3.29Å; G373-E375 PolarHBondContact O-N 3.39Å; G373-D376 PolarHBondContact N-OD2 3.15Å; G373-R385 PolarHBondContact O-NH1 3.11Å; G373-R385 VanDerWaalsContact O-NH1 3.16Å
374P91.8Very high86.9Confident30 Ų3031.9 Ų31.920%0.19520%0.201CC..THydrogen-bonded Turntrans-73.4-20.2-174.825.1-34.2000113.7N328 R385N328-P374 WeakPolarHBondContact OD1-CD 3.38Å; P374-R385 VanDerWaalsContact CD-NH1 3.27Å
375E90.9Very high88.9Confident80 Ų8029.7 Ų29.737%0.37419%0.185SC..THydrogen-bonded Turntrans-101.20.2-178.7-54.6176.8166.600112.9N328 P333 Q338 G373N328-E375 HydrophobicContact CB-CB 4.5Å; N328-E375 WeakPolarHBondContact ND2-CB 3.2Å; N328-E375 VanDerWaalsContact ND2-CG 3.26Å; N328-E375 WeakPolarHBondContact ND2-CG 3.47Å; N328-E375 PolarHBondContact ND2-OE2 3.06Å; N328-E375 PolarHBondContact OD1-N 3.43Å; P333-E375 HydrophobicContact CB-CB 3.73Å; P333-E375 WeakPolarHBondContact CB-O 3.43Å; P333-E375 HydrophobicContact CG-CB 3.94Å; P333-E375 HydrophobicContact CG-CG 4.41Å; Q338-E375 PolarHBondContact NE2-O 2.98Å; Q338-E375 VanDerWaalsContact NE2-O 3.16Å; G373-E375 VanDerWaalsContact C-N 3.29Å; G373-E375 PolarHBondContact O-N 3.39Å
376D91.5Very high90.5Very high9 Ų928 Ų285%0.04817%0.172CC..SBendtrans-75.3157.7178.3-71.3-32.7000112.1F329 G373 G378 L388F329-D376 WeakPolarHBondContact CD2-OD2 2.94Å; F329-D376 PolarHBondContact N-OD1 3.15Å; G373-D376 PolarHBondContact N-OD2 3.15Å; D376-G378 PolarHBondContact O-N 3.42Å; D376-L388 HydrophobicContact CB-CD2 4.02Å
377P89.7Confident91.3Very high21 Ų2130.3 Ų30.314%0.13619%0.187CC..SBendtrans-58.5124.1-179.2-25.535.3000113.2Q338 I339 L342 I392Q338-P377 HydrophobicContact CG-CG 4.21Å; I339-P377 HydrophobicContact CG1-CB 4.19Å; I339-P377 HydrophobicContact CG1-CG 4.35Å; L342-P377 HydrophobicContact CD2-CG 3.77Å; P377-I392 HydrophobicContact CB-CD1 4.1Å; P377-I392 HydrophobicContact CG-CD1 4.47Å
378G84.4Confident91.5Very high60 Ų6025.7 Ų25.762%0.61917%0.17SC*.SBendtrans140.6-169.718000000111.8D376 G380D376-G378 PolarHBondContact O-N 3.42Å; G378-G380 PolarHBondContact O-N 3.21Å
379P79.5Confident91.4Very high64 Ų6427.7 Ų27.742%0.41619%0.187SC..SBendtrans-75.568.317233.1-33.4000110S381 P386P379-S381 VanDerWaalsContact C-N 3.3Å; P379-S381 PolarHBondContact O-N 2.92Å; P379-P386 HydrophobicContact CG-CG 3.59Å
380G71.6Confident91.2Very high11 Ų1135.2 Ų35.211%0.11322%0.222CC..THydrogen-bonded Turntrans-71.6-15.3-17000000115.8G378 R385G378-G380 PolarHBondContact O-N 3.21Å; G380-R385 WeakPolarHBondContact O-CD 3.4Å
381S85.2Confident90.9Very high91 Ų9140.2 Ų40.264%0.63625%0.245SC*.THydrogen-bonded Turntrans-92-7.8-176.1580000115P379P379-S381 VanDerWaalsContact C-N 3.3Å; P379-S381 PolarHBondContact O-N 2.92Å
382I94Very high90.6Very high51 Ų5140.4 Ų40.426%0.26225%0.246SC..SBendtrans-122.6131.4-174.2-49.5176.5000109.7R385 P467 F469I382-R385 WeakPolarHBondContact O-CG 3.49Å; I382-P467 WeakPolarHBondContact CA-O 3.29Å; I382-P467 HydrophobicContact CB-CB 4.42Å; I382-P467 HydrophobicContact CG1-CB 4.06Å; I382-P467 HydrophobicContact CG2-CB 4.32Å; I382-F469 HydrophobicContact CB-CE2 4.14Å; I382-F469 HydrophobicContact CB-CZ 4.12Å; I382-F469 HydrophobicContact CD1-CE1 4.44Å; I382-F469 HydrophobicContact CD1-CZ 4.46Å; I382-F469 HydrophobicContact CG2-CD1 4.02Å; I382-F469 HydrophobicContact CG2-CD2 3.8Å; I382-F469 HydrophobicContact CG2-CE1 3.95Å; I382-F469 HydrophobicContact CG2-CE2 3.72Å; I382-F469 HydrophobicContact CG2-CG 3.95Å; I382-F469 HydrophobicContact CG2-CZ 3.8Å
383L94.8Very high90.5Very high2 Ų240.2 Ų40.21%0.0125%0.245CC..BIsolated β-bridgetrans-97.8150.4177.7-70.9168.5000112.5R385 N408 M422 T459 P467 V468 F469 L476L383-R385 HydrophobicContact CD2-CG 4.33Å; L383-N408 VanDerWaalsContact CD2-O 3.26Å; L383-N408 WeakPolarHBondContact CD2-O 3.28Å; L383-M422 HydrophobicContact CD1-CE 3.5Å; L383-M422 HydrophobicContact CD2-CE 4.34Å; L383-T459 HydrophobicContact CD1-CG2 3.73Å; L383-P467 PolarHBondContact N-O 2.95Å; L383-V468 HydrophobicContact CB-CG2 4.35Å; L383-V468 CarbonylContact O-C 3.52Å; L383-V468 WeakPolarHBondContact O-CA 3.44Å; L383-V468 WeakPolarHBondContact O-CG1 3.49Å; L383-F469 WeakPolarHBondContact O-CD2 3.36Å; L383-F469 PolarHBondContact O-N 3.41Å; L383-L476 HydrophobicContact CB-CD1 3.89Å; L383-L476 HydrophobicContact CB-CD2 4.27Å
384P95.6Very high90.4Very high0 Ų045.1 Ų45.10%027%0.267CS..SBendcis-65.9146.3-15.6-16.631000112A92 F93 F469 S475 L476A92-P384 HydrophobicContact CB-CB 3.41Å; A92-P384 VanDerWaalsContact CB-CB 3.41Å; A92-P384 HydrophobicContact CB-CG 3.88Å; F93-P384 HydrophobicContact CZ-CB 4.23Å; F93-P384 WeakPolarHBondContact CZ-O 3.28Å; P384-F469 WeakPolarHBondContact O-CE2 3.45Å; P384-S475 WeakPolarHBondContact CG-OG 3.49Å; P384-L476 HydrophobicContact CG-CD2 4.09Å; P384-L476 HydrophobicContact CG-CG 4.49Å
385R94.2Very high90.4Very high4 Ų445.5 Ų45.52%0.01527%0.268CS..BIsolated β-bridgetrans-89137.6177.8-72.6167.9-91.2-176.2-14.2110.7P372 G373 P374 G380 I382 L383 T407 N408 R423 E424P372-R385 PolarHBondContact O-NH1 3.26Å; G373-R385 PolarHBondContact O-NH1 3.11Å; G373-R385 VanDerWaalsContact O-NH1 3.16Å; P374-R385 VanDerWaalsContact CD-NH1 3.27Å; G380-R385 WeakPolarHBondContact O-CD 3.4Å; I382-R385 WeakPolarHBondContact O-CG 3.49Å; L383-R385 HydrophobicContact CD2-CG 4.33Å; R385-T407 CarbonylContact O-C 3.46Å; R385-T407 WeakPolarHBondContact O-CA 3.41Å; R385-T407 WeakPolarHBondContact O-CB 3.37Å; R385-T407 WeakPolarHBondContact O-CG2 3.46Å; R385-N408 HydrophobicContact CB-CB 4.21Å; R385-N408 PolarHBondContact N-O 2.97Å; R385-N408 PolarHBondContact NH1-ND2 3.18Å; R385-N408 PolarHBondContact NH2-ND2 3.49Å; R385-N408 PolarHBondContact O-N 3.41Å; R385-R423 PolarHBondContact NH1-O 3.37Å; R385-R423 PolarHBondContact NH2-O 3.33Å; R385-E424 IonicContact NH2-OE2 3.23Å
386P95.1Very high90.5Very high43 Ų4341.8 Ų41.828%0.27925%0.25SS..PPolyproline II helixtrans-67.5162.7170.732.5-35.2000111F93 P379F93-P386 HydrophobicContact CE2-CB 4.25Å; P379-P386 HydrophobicContact CG-CG 3.59Å
387P95.3Very high90.5Very high56 Ų5644.7 Ų44.736%0.36426%0.264SS..PPolyproline II helixtrans-60.8165.4169.328.7-36.3000111.8A389 F405 T406P387-A389 PolarHBondContact O-N 2.86Å; P387-F405 HydrophobicContact CB-CB 4.41Å; P387-F405 WeakPolarHBondContact CB-O 3.41Å; P387-T406 VanDerWaalsContact CA-O 3.25Å; P387-T406 WeakPolarHBondContact CA-O 3.25Å; P387-T406 WeakPolarHBondContact CB-O 3.43Å
388L93.6Very high90.5Very high6 Ų650.5 Ų50.53%0.03129%0.289CS..PPolyproline II helixtrans-57.1139167.6-62.9-179.3000109.7F329 L342 P372 D376 T393 F405F329-L388 HydrophobicContact CD2-CD1 4.05Å; F329-L388 HydrophobicContact CE2-CD1 4.14Å; L342-L388 HydrophobicContact CD2-CD1 4.28Å; P372-L388 HydrophobicContact CB-CD2 4.25Å; P372-L388 HydrophobicContact CB-CG 4.44Å; D376-L388 HydrophobicContact CB-CD2 4.02Å; L388-T393 HydrophobicContact CB-CG2 3.77Å; L388-T393 HydrophobicContact CD1-CG2 4.46Å; L388-F405 HydrophobicContact CB-CD1 4.37Å; L388-F405 HydrophobicContact CD1-CD1 4.03Å; L388-F405 HydrophobicContact CD1-CE1 4.13Å; L388-F405 HydrophobicContact CG-CD1 4.48Å
389A92.6Very high90.7Very high43 Ų4351.6 Ų51.636%0.35528%0.275SS..PPolyproline II helixtrans-61.6142.4-175.900000111.9P387 H391 I392P387-A389 PolarHBondContact O-N 2.86Å; A389-H391 WeakPolarHBondContact CB-CE1 3.24Å; A389-H391 VanDerWaalsContact CB-ND1 3.29Å; A389-H391 WeakPolarHBondContact CB-ND1 3.39Å; A389-H391 PolarHBondContact O-N 3.41Å; A389-H391 VanDerWaalsContact O-N 3.08Å; A389-I392 WeakPolarHBondContact O-CB 3.25Å; A389-I392 PolarHBondContact O-N 2.85Å
390E91.6Very high91.1Very high157 Ų15748.7 Ų48.773%0.73426%0.256SS*.Hα-helixtrans-55-34.2-175.1-65.3-179.7177.100113.2I392 T393 Q394E390-I392 PolarHBondContact O-N 3.32Å; E390-I392 VanDerWaalsContact O-N 3.09Å; E390-T393 WeakPolarHBondContact CA-OG1 3.08Å; E390-T393 PolarHBondContact O-N 3.47Å; E390-T393 VanDerWaalsContact O-N 3.11Å; E390-T393 PolarHBondContact O-OG1 2.65Å; E390-Q394 WeakPolarHBondContact O-CB 3.42Å; E390-Q394 PolarHBondContact O-N 3.33Å
391H91.1Very high91.7Very high107 Ų10752.5 Ų52.550%0.49528%0.278SS..Hα-helixtrans-61.3-20.4177.773.9-94.9000114.2A389A389-H391 WeakPolarHBondContact CB-CE1 3.24Å; A389-H391 VanDerWaalsContact CB-ND1 3.29Å; A389-H391 WeakPolarHBondContact CB-ND1 3.39Å; A389-H391 PolarHBondContact O-N 3.41Å; A389-H391 VanDerWaalsContact O-N 3.08Å
392I91.7Very high91.6Very high4 Ų449.6 Ų49.62%0.02126%0.263CS..Hα-helixtrans-88-39.9176.9-51.4-175.8000110I339 L342 L346 P377 A389 E390I339-I392 HydrophobicContact CG1-CD1 4.41Å; I339-I392 HydrophobicContact CG2-CD1 3.99Å; I339-I392 HydrophobicContact CG2-CG1 3.95Å; L342-I392 HydrophobicContact CD2-CG2 4.03Å; L342-I392 HydrophobicContact CG-CG2 4.16Å; L346-I392 HydrophobicContact CD1-CG2 3.92Å; P377-I392 HydrophobicContact CB-CD1 4.1Å; P377-I392 HydrophobicContact CG-CD1 4.47Å; A389-I392 WeakPolarHBondContact O-CB 3.25Å; A389-I392 PolarHBondContact O-N 2.85Å; E390-I392 PolarHBondContact O-N 3.32Å; E390-I392 VanDerWaalsContact O-N 3.09Å
393T93.3Very high91.5Very high3 Ų347.6 Ų47.62%0.01825%0.253CS..Hα-helixtrans-98.3-18.2-165.959.40000113.9L388 E390 D395 F396 Q397 F405L388-T393 HydrophobicContact CB-CG2 3.77Å; L388-T393 HydrophobicContact CD1-CG2 4.46Å; E390-T393 WeakPolarHBondContact CA-OG1 3.08Å; E390-T393 PolarHBondContact O-N 3.47Å; E390-T393 VanDerWaalsContact O-N 3.11Å; E390-T393 PolarHBondContact O-OG1 2.65Å; T393-D395 PolarHBondContact O-N 2.75Å; T393-F396 WeakPolarHBondContact O-CA 3.37Å; T393-F396 WeakPolarHBondContact O-CB 3.17Å; T393-F396 PolarHBondContact O-N 3.23Å; T393-Q397 PolarHBondContact O-N 3.02Å; T393-F405 HydrophobicContact CG2-CB 4.37Å; T393-F405 HydrophobicContact CG2-CD1 3.47Å; T393-F405 VanDerWaalsContact CG2-CD1 3.47Å; T393-F405 HydrophobicContact CG2-CD2 3.78Å; T393-F405 HydrophobicContact CG2-CE1 3.56Å; T393-F405 HydrophobicContact CG2-CE2 3.87Å; T393-F405 HydrophobicContact CG2-CG 3.59Å; T393-F405 HydrophobicContact CG2-CZ 3.76Å
394Q92Very high91.4Very high106 Ų10649.7 Ų49.750%0.49527%0.266SS..Hα-helixtrans-55.7-45.5-174.9-176.317925.400112.9E390 F396 Q397 Q398E390-Q394 WeakPolarHBondContact O-CB 3.42Å; E390-Q394 PolarHBondContact O-N 3.33Å; Q394-F396 PolarHBondContact O-N 2.84Å; Q394-Q397 PolarHBondContact O-N 2.89Å; Q394-Q398 WeakPolarHBondContact O-CG 3.36Å; Q394-Q398 PolarHBondContact O-N 3.07Å
395D91.6Very high91.4Very high38 Ų3850.6 Ų50.620%0.20327%0.27CS..Hα-helixtrans-59.7-37.7177.2-70.8-1.1000111.6R343 K347 T393 R399R343-D395 IonicContact CZ-OD2 3.28Å; R343-D395 IonicContact NE-OD2 3.73Å; R343-D395 PolarHBondContact NE-OD2 3.15Å; R343-D395 VanDerWaalsContact NH2-CG 3.33Å; R343-D395 IonicContact NH2-OD1 3.99Å; R343-D395 PolarHBondContact NH2-OD1 2.95Å; R343-D395 IonicContact NH2-OD2 3.74Å; R343-D395 PolarHBondContact NH2-OD2 3.45Å; K347-D395 WeakPolarHBondContact CE-OD2 3.31Å; K347-D395 IonicContact NZ-OD2 2.91Å; K347-D395 PolarHBondContact NZ-OD2 3.47Å; T393-D395 PolarHBondContact O-N 2.75Å; D395-R399 WeakPolarHBondContact O-CG 3.35Å
396F92.7Very high91.5Very high2 Ų250.9 Ų50.91%0.00927%0.272CS..Hα-helixtrans-71.3-47.8179.5-175.3-85000111L346 L349 A350 I353 F370 T393 Q394 Q398 R399 V400 F405L346-F396 HydrophobicContact CB-CD2 4.2Å; L346-F396 HydrophobicContact CD2-CD2 4.26Å; L346-F396 VanDerWaalsContact O-CD2 3.29Å; L346-F396 WeakPolarHBondContact O-CD2 3.44Å; L349-F396 HydrophobicContact CB-CE2 4.26Å; L349-F396 HydrophobicContact CD2-CE2 3.99Å; L349-F396 HydrophobicContact CD2-CZ 4.32Å; L349-F396 HydrophobicContact CG-CE2 4.06Å; A350-F396 HydrophobicContact CB-CD2 3.73Å; A350-F396 HydrophobicContact CB-CE2 3.86Å; I353-F396 HydrophobicContact CD1-CE2 4.25Å; I353-F396 HydrophobicContact CD1-CZ 3.81Å; F370-F396 HydrophobicContact CE2-CD1 4.42Å; F370-F396 AromaticContact CE2-CE1 3.58Å; F370-F396 HydrophobicContact CE2-CE1 3.58Å; F370-F396 AromaticContact CE2-CZ 3.93Å; F370-F396 HydrophobicContact CE2-CZ 3.93Å; F370-F396 AromaticContact CZ-CE1 3.71Å; F370-F396 HydrophobicContact CZ-CE1 3.71Å; F370-F396 HydrophobicContact CZ-CE2 4.38Å; F370-F396 AromaticContact CZ-CZ 3.56Å; F370-F396 HydrophobicContact CZ-CZ 3.56Å; T393-F396 WeakPolarHBondContact O-CA 3.37Å; T393-F396 WeakPolarHBondContact O-CB 3.17Å; T393-F396 PolarHBondContact O-N 3.23Å; Q394-F396 PolarHBondContact O-N 2.84Å; F396-Q398 VanDerWaalsContact C-N 3.31Å; F396-Q398 PolarHBondContact O-N 2.69Å; F396-R399 PolarHBondContact O-N 2.77Å; F396-V400 HydrophobicContact CD1-CB 4.36Å; F396-V400 HydrophobicContact CE1-CB 3.9Å; F396-V400 HydrophobicContact CE1-CG1 4.32Å; F396-V400 HydrophobicContact CE1-CG2 4.17Å; F396-V400 HydrophobicContact CE2-CG2 4.48Å; F396-V400 HydrophobicContact CZ-CB 4.26Å; F396-V400 HydrophobicContact CZ-CG2 4.06Å; F396-V400 PolarHBondContact O-N 3.21Å; F396-F405 AromaticContact CD1-CE2 3.79Å; F396-F405 HydrophobicContact CD1-CE2 3.79Å; F396-F405 AromaticContact CD1-CZ 3.89Å; F396-F405 HydrophobicContact CD1-CZ 3.89Å; F396-F405 HydrophobicContact CE1-CE2 4.41Å; F396-F405 HydrophobicContact CE1-CZ 4.4Å; F396-F405 HydrophobicContact CG-CE2 4.46Å; F396-F405 HydrophobicContact CG-CZ 4.27Å
397Q90.8Very high91.6Very high70 Ų7049.2 Ų49.233%0.32726%0.261SS..Hα-helixtrans-64.2-34.2-178.4-70.7179.3-42.500112.7T393 Q394 R399 V400 P401 F405T393-Q397 PolarHBondContact O-N 3.02Å; Q394-Q397 PolarHBondContact O-N 2.89Å; Q397-R399 VanDerWaalsContact C-N 3.27Å; Q397-R399 PolarHBondContact O-N 3.38Å; Q397-V400 CarbonylContact O-C 3.58Å; Q397-V400 VanDerWaalsContact O-C 3.29Å; Q397-P401 WeakPolarHBondContact O-CA 3.33Å; Q397-F405 HydrophobicContact CG-CD2 4.08Å; Q397-F405 HydrophobicContact CG-CE2 3.97Å
398Q89.8Confident91.6Very high142 Ų14246.5 Ų46.566%0.66424%0.244SC*.Hα-helixtrans-63.1-36.1173.5-75.3178.610.100112.3Q394 F396Q394-Q398 WeakPolarHBondContact O-CG 3.36Å; Q394-Q398 PolarHBondContact O-N 3.07Å; F396-Q398 VanDerWaalsContact C-N 3.31Å; F396-Q398 PolarHBondContact O-N 2.69Å
399R88.8Confident91.8Very high84 Ų8446.4 Ų46.432%0.31724%0.244SC..Hα-helixtrans-80.2-42.1178.5-66.6-177.164174.26.3111.7K347 A350 D351 H360 D395 F396 Q397 P401K347-R399 PolarHBondContact O-NH1 3.34Å; A350-R399 HydrophobicContact CB-CB 4.27Å; D351-R399 VanDerWaalsContact CG-NH1 3.3Å; D351-R399 IonicContact OD1-CZ 3.79Å; D351-R399 IonicContact OD1-NH1 3.09Å; D351-R399 PolarHBondContact OD1-NH1 3.39Å; D351-R399 IonicContact OD1-NH2 3.92Å; D351-R399 PolarHBondContact OD1-NH2 3.22Å; D351-R399 IonicContact OD2-NH1 3.73Å; H360-R399 PolarHBondContact CE1-O 3.26Å; H360-R399 PolarHBondContact NE2-O 2.86Å; D395-R399 WeakPolarHBondContact O-CG 3.35Å; F396-R399 PolarHBondContact O-N 2.77Å; Q397-R399 VanDerWaalsContact C-N 3.27Å; Q397-R399 PolarHBondContact O-N 3.38Å; R399-P401 WeakPolarHBondContact O-CD 3.39Å
400V88.2Confident92Very high3 Ų344.5 Ų44.52%0.01823%0.227CC..  trans-117.387-177.3-173.60000108.8A350 I353 F368 F396 Q397 G402 S403A350-V400 HydrophobicContact CB-CG2 4.4Å; I353-V400 HydrophobicContact CB-CG2 4.47Å; I353-V400 HydrophobicContact CG2-CG1 4.41Å; I353-V400 HydrophobicContact CG2-CG2 4.11Å; F368-V400 HydrophobicContact CD2-CG1 3.85Å; F368-V400 HydrophobicContact CE2-CG1 4.19Å; F396-V400 HydrophobicContact CD1-CB 4.36Å; F396-V400 HydrophobicContact CE1-CB 3.9Å; F396-V400 HydrophobicContact CE1-CG1 4.32Å; F396-V400 HydrophobicContact CE1-CG2 4.17Å; F396-V400 HydrophobicContact CE2-CG2 4.48Å; F396-V400 HydrophobicContact CZ-CB 4.26Å; F396-V400 HydrophobicContact CZ-CG2 4.06Å; F396-V400 PolarHBondContact O-N 3.21Å; Q397-V400 CarbonylContact O-C 3.58Å; Q397-V400 VanDerWaalsContact O-C 3.29Å; V400-G402 PolarHBondContact O-N 2.81Å; V400-S403 WeakPolarHBondContact O-CB 3.15Å; V400-S403 PolarHBondContact O-N 2.86Å; V400-S403 PolarHBondContact O-OG 3.27Å
401P83.5Confident92.3Very high90 Ų9037.9 Ų37.958%0.58420%0.196SC*.THydrogen-bonded Turntrans-67.7-22.5-173.326.5-34.9000113.6Q397 R399 S403Q397-P401 WeakPolarHBondContact O-CA 3.33Å; R399-P401 WeakPolarHBondContact O-CD 3.39Å; P401-S403 PolarHBondContact O-N 3.25Å
402G83.4Confident92.6Very high31 Ų3132.8 Ų32.832%0.3217%0.172SC..THydrogen-bonded Turntrans-77.212.4175.400000114.9R367 F368 V400R367-G402 WeakPolarHBondContact CA-O 3.1Å; F368-G402 PolarHBondContact N-O 3.44Å; V400-G402 PolarHBondContact O-N 2.81Å
403S91Very high92.7Very high8 Ų832.8 Ų32.86%0.05617%0.172CC..EExtended strand (participates in β ladder)trans-100.8137.2-176.265.60000113.7F368 V400 P401F368-S403 CarbonylContact O-C 3.57Å; F368-S403 VanDerWaalsContact O-CA 3.28Å; F368-S403 WeakPolarHBondContact O-CA 3.24Å; V400-S403 WeakPolarHBondContact O-CB 3.15Å; V400-S403 PolarHBondContact O-N 2.86Å; V400-S403 PolarHBondContact O-OG 3.27Å; P401-S403 PolarHBondContact O-N 3.25Å
404V93.8Very high92.8Very high46 Ų4633 Ų3328%0.27917%0.172SC..EExtended strand (participates in β ladder)trans-130.7118.9179.8-178.30000109.1I89 F368 V369 F370I89-V404 HydrophobicContact CD1-CB 3.8Å; I89-V404 HydrophobicContact CD1-CG1 4Å; I89-V404 HydrophobicContact CD1-CG2 3.85Å; I89-V404 HydrophobicContact CG2-CG1 4.3Å; F368-V404 PolarHBondContact O-N 2.85Å; V369-V404 WeakPolarHBondContact CA-O 3.09Å; F370-V404 PolarHBondContact N-O 3.15Å
405F95.9Very high92.7Very high19 Ų1928 Ų288%0.08315%0.149CC..EExtended strand (participates in β ladder)trans-92.1119.4170.2-68.3-98.5000107.8L346 F370 P387 L388 T393 F396 Q397L346-F405 HydrophobicContact CD2-CE1 4.46Å; L346-F405 HydrophobicContact CD2-CZ 4.34Å; F370-F405 HydrophobicContact CB-CD1 3.38Å; F370-F405 HydrophobicContact CB-CE1 3.59Å; F370-F405 HydrophobicContact CB-CG 4.01Å; F370-F405 HydrophobicContact CB-CZ 4.35Å; F370-F405 AromaticContact CD1-CE1 3.93Å; F370-F405 HydrophobicContact CD1-CE1 3.93Å; F370-F405 HydrophobicContact CD1-CZ 4.31Å; F370-F405 HydrophobicContact CD2-CD1 4.17Å; F370-F405 HydrophobicContact CD2-CD2 4.29Å; F370-F405 AromaticContact CD2-CE1 3.81Å; F370-F405 HydrophobicContact CD2-CE1 3.81Å; F370-F405 AromaticContact CD2-CE2 3.94Å; F370-F405 HydrophobicContact CD2-CE2 3.94Å; F370-F405 HydrophobicContact CD2-CG 4.39Å; F370-F405 AromaticContact CD2-CZ 3.69Å; F370-F405 HydrophobicContact CD2-CZ 3.69Å; F370-F405 HydrophobicContact CE2-CE1 4.47Å; F370-F405 HydrophobicContact CE2-CE2 4.29Å; F370-F405 AromaticContact CE2-CZ 3.99Å; F370-F405 HydrophobicContact CE2-CZ 3.99Å; F370-F405 AromaticContact CG-CD1 3.83Å; F370-F405 HydrophobicContact CG-CD1 3.83Å; F370-F405 AromaticContact CG-CE1 3.5Å; F370-F405 HydrophobicContact CG-CE1 3.5Å; F370-F405 VanDerWaalsContact CG-CE1 3.5Å; F370-F405 HydrophobicContact CG-CE2 4.47Å; F370-F405 HydrophobicContact CG-CG 4.45Å; F370-F405 AromaticContact CG-CZ 3.86Å; F370-F405 HydrophobicContact CG-CZ 3.86Å; F370-F405 HydrophobicContact CZ-CZ 4.43Å; P387-F405 HydrophobicContact CB-CB 4.41Å; P387-F405 WeakPolarHBondContact CB-O 3.41Å; L388-F405 HydrophobicContact CB-CD1 4.37Å; L388-F405 HydrophobicContact CD1-CD1 4.03Å; L388-F405 HydrophobicContact CD1-CE1 4.13Å; L388-F405 HydrophobicContact CG-CD1 4.48Å; T393-F405 HydrophobicContact CG2-CB 4.37Å; T393-F405 HydrophobicContact CG2-CD1 3.47Å; T393-F405 VanDerWaalsContact CG2-CD1 3.47Å; T393-F405 HydrophobicContact CG2-CD2 3.78Å; T393-F405 HydrophobicContact CG2-CE1 3.56Å; T393-F405 HydrophobicContact CG2-CE2 3.87Å; T393-F405 HydrophobicContact CG2-CG 3.59Å; T393-F405 HydrophobicContact CG2-CZ 3.76Å; F396-F405 AromaticContact CD1-CE2 3.79Å; F396-F405 HydrophobicContact CD1-CE2 3.79Å; F396-F405 AromaticContact CD1-CZ 3.89Å; F396-F405 HydrophobicContact CD1-CZ 3.89Å; F396-F405 HydrophobicContact CE1-CE2 4.41Å; F396-F405 HydrophobicContact CE1-CZ 4.4Å; F396-F405 HydrophobicContact CG-CE2 4.46Å; F396-F405 HydrophobicContact CG-CZ 4.27Å; Q397-F405 HydrophobicContact CG-CD2 4.08Å; Q397-F405 HydrophobicContact CG-CE2 3.97Å
406T95.9Very high92.7Very high11 Ų1126.8 Ų26.87%0.06714%0.143CC..  trans-119.7179.7-171.9-170.40000111.7I89 V369 F370 V371 P372 P387 C410I89-T406 HydrophobicContact CG2-CG2 4.33Å; V369-T406 HydrophobicContact CG1-CG2 3.78Å; F370-T406 PolarHBondContact O-N 2.79Å; V371-T406 HydrophobicContact CG2-CG2 3.92Å; P372-T406 WeakPolarHBondContact CD-O 3.42Å; P387-T406 VanDerWaalsContact CA-O 3.25Å; P387-T406 WeakPolarHBondContact CA-O 3.25Å; P387-T406 WeakPolarHBondContact CB-O 3.43Å; T406-C410 HydrophobicContact CG2-CB 3.57Å
407T96.6Very high92.8Very high7 Ų726.7 Ų26.74%0.04314%0.142CC..  trans-74.3172.6178.157.10000112.1G91 A92 F93 R385 P409 C410G91-T407 WeakPolarHBondContact CA-OG1 3.37Å; A92-T407 HydrophobicContact CB-CG2 4.4Å; A92-T407 PolarHBondContact N-OG1 3.43Å; F93-T407 HydrophobicContact CD2-CG2 3.7Å; F93-T407 HydrophobicContact CE2-CG2 3.98Å; R385-T407 CarbonylContact O-C 3.46Å; R385-T407 WeakPolarHBondContact O-CA 3.41Å; R385-T407 WeakPolarHBondContact O-CB 3.37Å; R385-T407 WeakPolarHBondContact O-CG2 3.46Å; T407-P409 CarbonylContact C-O 3.14Å; T407-P409 VanDerWaalsContact C-O 3.32Å; T407-P409 WeakPolarHBondContact CB-O 3.37Å; T407-P409 CarbonylContact O-C 3.59Å; T407-P409 PolarHBondContact OG1-O 2.69Å; T407-C410 WeakPolarHBondContact O-CB 3.41Å
408N96.8Very high93Very high0 Ų023.9 Ų23.90%013%0.129CC..BIsolated β-bridgetrans-128.9117.9165.6-176.32.6000111.2V371 P372 L383 R385 R423V371-N408 HydrophobicContact CG1-CB 3.78Å; P372-N408 HydrophobicContact CG-CB 4.06Å; P372-N408 VanDerWaalsContact O-CB 3.28Å; P372-N408 WeakPolarHBondContact O-CB 3.29Å; P372-N408 PolarHBondContact O-ND2 3.28Å; L383-N408 VanDerWaalsContact CD2-O 3.26Å; L383-N408 WeakPolarHBondContact CD2-O 3.28Å; R385-N408 HydrophobicContact CB-CB 4.21Å; R385-N408 PolarHBondContact N-O 2.97Å; R385-N408 PolarHBondContact NH1-ND2 3.18Å; R385-N408 PolarHBondContact NH2-ND2 3.49Å; R385-N408 PolarHBondContact O-N 3.41Å; N408-R423 VanDerWaalsContact ND2-CB 3.34Å; N408-R423 WeakPolarHBondContact ND2-CB 3.45Å; N408-R423 PolarHBondContact ND2-N 3.28Å; N408-R423 PolarHBondContact ND2-O 2.91Å; N408-R423 PolarHBondContact OD1-N 3.29Å
409P97.2Very high93.4Very high4 Ų417.3 Ų17.33%0.02610%0.099CC..SBendcis-68.7170.2-0.632.4-38.3000112.5A92 T407 I421 M422 L458 L476A92-P409 WeakPolarHBondContact CB-O 3.45Å; T407-P409 CarbonylContact C-O 3.14Å; T407-P409 VanDerWaalsContact C-O 3.32Å; T407-P409 WeakPolarHBondContact CB-O 3.37Å; T407-P409 CarbonylContact O-C 3.59Å; T407-P409 PolarHBondContact OG1-O 2.69Å; P409-I421 CarbonylContact C-O 3.29Å; P409-I421 WeakPolarHBondContact CA-O 3.39Å; P409-I421 VanDerWaalsContact CB-O 3.23Å; P409-I421 WeakPolarHBondContact CB-O 3.19Å; P409-M422 HydrophobicContact CB-CB 4.1Å; P409-M422 HydrophobicContact CB-CG 4.37Å; P409-L458 HydrophobicContact CB-CD1 3.87Å; P409-L458 HydrophobicContact CG-CD1 3.79Å; P409-L476 HydrophobicContact CG-CD2 3.4Å
410C97.2Very high93.8Very high2 Ų213.5 Ų13.51%0.0149%0.085CC..EExtended strand (participates in β ladder)trans-132.1163.8166.7690000110.4V371 T406 T407 I421V371-C410 VanDerWaalsContact CG2-SG 3.59Å; T406-C410 HydrophobicContact CG2-CB 3.57Å; T407-C410 WeakPolarHBondContact O-CB 3.41Å; C410-I421 PolarHBondContact N-O 3.23Å; C410-I421 PolarHBondContact O-N 3.42Å
411R97.7Very high94.3Very high18 Ų1813.4 Ų13.47%0.0688%0.084CC..EExtended strand (participates in β ladder)trans-119.3129.8178-70.5-176.7-175.7-176.9-3.2108.6I90 V95 F264 F265 I419 I420 R477I90-R411 HydrophobicContact CB-CB 4.05Å; I90-R411 HydrophobicContact CD1-CB 4.44Å; I90-R411 PolarHBondContact N-O 2.85Å; I90-R411 PolarHBondContact O-N 3.24Å; V95-R411 VanDerWaalsContact CG1-NH1 3.27Å; F264-R411 PolarHBondContact O-NH1 3.48Å; F265-R411 HydrophobicContact CD1-CB 4.47Å; F265-R411 HydrophobicContact CE1-CB 3.76Å; F265-R411 HydrophobicContact CE1-CG 4.49Å; F265-R411 HydrophobicContact CE2-CB 4.11Å; F265-R411 HydrophobicContact CE2-CG 3.98Å; F265-R411 HydrophobicContact CZ-CB 3.55Å; F265-R411 HydrophobicContact CZ-CG 3.94Å; F265-R411 VanDerWaalsContact O-CD 3.28Å; F265-R411 WeakPolarHBondContact O-CD 3.24Å; F265-R411 PolarHBondContact O-NH1 2.89Å; R411-I419 CarbonylContact C-O 3.45Å; R411-I419 WeakPolarHBondContact CA-O 3.47Å; R411-I420 HydrophobicContact CG-CG1 4.29Å; R411-R477 PolarHBondContact NH2-O 2.93Å
412I96.6Very high94.9Very high0 Ų09.2 Ų9.20%06%0.057CC..EExtended strand (participates in β ladder)trans-111.8126172.6-65.2-175.3000107.5F87 N88 I89 F265 I324 V369 I419 I421F87-I412 HydrophobicContact CD2-CG2 3.96Å; F87-I412 HydrophobicContact CE2-CG2 3.42Å; F87-I412 VanDerWaalsContact CE2-CG2 3.42Å; F87-I412 HydrophobicContact CZ-CG2 4.29Å; N88-I412 WeakPolarHBondContact O-CA 3.44Å; I89-I412 HydrophobicContact CG1-CG1 4.35Å; F265-I412 WeakPolarHBondContact CE1-O 3.2Å; F265-I412 WeakPolarHBondContact CZ-O 3.18Å; I324-I412 HydrophobicContact CD1-CD1 4.04Å; I324-I412 HydrophobicContact CG1-CD1 4.26Å; V369-I412 HydrophobicContact CG1-CD1 4.39Å; V369-I412 HydrophobicContact CG2-CD1 4.32Å; I412-I419 HydrophobicContact CB-CB 4.22Å; I412-I419 PolarHBondContact N-O 3.31Å; I412-I419 WeakPolarHBondContact O-CB 3.5Å; I412-I419 PolarHBondContact O-N 3.35Å; I412-I421 HydrophobicContact CD1-CD1 3.42Å; I412-I421 VanDerWaalsContact CD1-CD1 3.42Å; I412-I421 HydrophobicContact CG1-CD1 3.97Å
413Q94.9Very high95.5Very high5 Ų57.8 Ų7.82%0.0234%0.041CC..EExtended strand (participates in β ladder)trans-103.5125.2168.5173.2-87.9-36.800107.8N85 V86 F87 N88 I90 F265 V273 C415 Q417N85-Q413 PolarHBondContact O-OE1 3.25Å; V86-Q413 PolarHBondContact O-NE2 3.01Å; F87-Q413 WeakPolarHBondContact CA-O 3.4Å; N88-Q413 HydrophobicContact CB-CB 4.49Å; N88-Q413 PolarHBondContact N-O 3.4Å; N88-Q413 PolarHBondContact ND2-OE1 3.08Å; N88-Q413 PolarHBondContact O-N 3.16Å; I90-Q413 HydrophobicContact CD1-CB 4.32Å; F265-Q413 HydrophobicContact CD1-CB 4.17Å; F265-Q413 HydrophobicContact CE1-CB 3.94Å; V273-Q413 HydrophobicContact CB-CG 4.34Å; V273-Q413 HydrophobicContact CG1-CG 3.88Å; V273-Q413 HydrophobicContact CG2-CG 3.89Å; Q413-C415 PolarHBondContact NE2-O 3.46Å; Q413-Q417 WeakPolarHBondContact CA-O 3.4Å
414Y93.9Very high95.7Very high6 Ų68 Ų82%0.0244%0.042CC..EExtended strand (participates in β ladder)trans-131118.1175178.7-98.7000109V86 F87 N286 A289 F291 T321 N416 Q417 P521V86-Y414 HydrophobicContact CG1-CE2 4.37Å; V86-Y414 CarbonylContact O-C 3.19Å; V86-Y414 WeakPolarHBondContact O-CA 3.18Å; F87-Y414 HydrophobicContact CB-CD2 4.14Å; F87-Y414 HydrophobicContact CD1-CD2 4.39Å; F87-Y414 HydrophobicContact CG-CD2 4.19Å; N286-Y414 PolarHBondContact ND2-OH 2.99Å; A289-Y414 HydrophobicContact CB-CE1 4.27Å; A289-Y414 WeakPolarHBondContact CB-OH 3.13Å; F291-Y414 HydrophobicContact CE2-CD1 4.01Å; F291-Y414 HydrophobicContact CE2-CD2 4.2Å; F291-Y414 HydrophobicContact CE2-CE1 4.36Å; F291-Y414 AromaticContact CE2-CG 3.92Å; F291-Y414 HydrophobicContact CE2-CG 3.92Å; F291-Y414 HydrophobicContact CZ-CD1 4.11Å; F291-Y414 AromaticContact CZ-CD2 3.57Å; F291-Y414 HydrophobicContact CZ-CD2 3.57Å; F291-Y414 HydrophobicContact CZ-CE2 4.14Å; F291-Y414 AromaticContact CZ-CG 3.53Å; F291-Y414 HydrophobicContact CZ-CG 3.53Å; T321-Y414 HydrophobicContact CG2-CE2 4.17Å; Y414-N416 PolarHBondContact O-N 3.21Å; Y414-N416 VanDerWaalsContact O-N 3.14Å; Y414-Q417 PolarHBondContact N-O 2.71Å; Y414-Q417 VanDerWaalsContact N-O 3.13Å; Y414-Q417 WeakPolarHBondContact O-CA 3.47Å; Y414-Q417 WeakPolarHBondContact O-CB 3.34Å; Y414-Q417 PolarHBondContact O-N 3.23Å; Y414-P521 HydrophobicContact CD1-CB 3.66Å; Y414-P521 HydrophobicContact CD1-CG 3.85Å; Y414-P521 HydrophobicContact CE1-CB 3.68Å; Y414-P521 HydrophobicContact CE1-CG 3.39Å
415C91.4Very high95.7Very high1 Ų16.5 Ų6.51%0.0073%0.032CC..THydrogen-bonded Turntrans47.9-119.1-173.1-65.70000111.5V86 L279 E283 Q413V86-C415 WeakPolarHBondContact CG1-SG 3.05Å; V86-C415 PolarHBondContact O-N 3.23Å; L279-C415 WeakPolarHBondContact O-CB 3.27Å; E283-C415 HydrophobicContact CB-CB 3.67Å; E283-C415 HydrophobicContact CG-CB 4.21Å; E283-C415 WeakPolarHBondContact OE2-CB 3.45Å; Q413-C415 PolarHBondContact NE2-O 3.46Å
416N91Very high95.5Very high13 Ų135.8 Ų5.87%0.073%0.029CC..THydrogen-bonded Turntrans-88.4-3.1178.679.342.6000113.2K274 L279 K280 E283 Y414K274-N416 WeakPolarHBondContact CG-O 3.38Å; L279-N416 HydrophobicContact CB-CB 4.48Å; K280-N416 WeakPolarHBondContact CA-ND2 3.1Å; K280-N416 HydrophobicContact CB-CB 4.41Å; K280-N416 WeakPolarHBondContact CB-ND2 3.47Å; K280-N416 WeakPolarHBondContact CG-ND2 3.5Å; E283-N416 PolarHBondContact OE1-OD1 3.41Å; E283-N416 PolarHBondContact OE2-N 2.79Å; E283-N416 PolarHBondContact OE2-ND2 3.29Å; E283-N416 PolarHBondContact OE2-OD1 3.05Å; Y414-N416 PolarHBondContact O-N 3.21Å; Y414-N416 VanDerWaalsContact O-N 3.14Å
417Q94.3Very high95.4Very high0 Ų05.2 Ų5.20%03%0.026CC..EExtended strand (participates in β ladder)trans-95.5145-170.5-62.7-173.410.500113.9E283 Q413 Y414 D483 Y519 P521E283-Q417 VanDerWaalsContact CD-NE2 3.33Å; E283-Q417 PolarHBondContact OE1-NE2 2.88Å; Q413-Q417 WeakPolarHBondContact CA-O 3.4Å; Y414-Q417 PolarHBondContact N-O 2.71Å; Y414-Q417 VanDerWaalsContact N-O 3.13Å; Y414-Q417 WeakPolarHBondContact O-CA 3.47Å; Y414-Q417 WeakPolarHBondContact O-CB 3.34Å; Y414-Q417 PolarHBondContact O-N 3.23Å; Q417-D483 WeakPolarHBondContact CA-OD2 3.3Å; Q417-D483 HydrophobicContact CB-CB 4.49Å; Q417-Y519 PolarHBondContact OE1-OH 2.91Å; Q417-P521 PolarHBondContact NE2-O 3.12Å
418E95.8Very high95.3Very high11 Ų117.3 Ų7.35%0.0514%0.036CC..EExtended strand (participates in β ladder)trans-111.3115.8177-70.2176.117500109.2F265 V273 K274 P482 D483 V484F265-E418 HydrophobicContact CB-CG 4.12Å; F265-E418 HydrophobicContact CD1-CB 4.38Å; F265-E418 HydrophobicContact CD1-CG 3.92Å; F265-E418 HydrophobicContact CD2-CB 3.68Å; F265-E418 HydrophobicContact CD2-CG 3.64Å; F265-E418 HydrophobicContact CE1-CB 4.2Å; F265-E418 HydrophobicContact CE1-CG 4.19Å; F265-E418 HydrophobicContact CE2-CB 3.5Å; F265-E418 VanDerWaalsContact CE2-CB 3.5Å; F265-E418 HydrophobicContact CE2-CG 3.97Å; F265-E418 HydrophobicContact CG-CB 4.13Å; F265-E418 HydrophobicContact CG-CG 3.62Å; F265-E418 HydrophobicContact CZ-CB 3.76Å; F265-E418 HydrophobicContact CZ-CG 4.22Å; V273-E418 HydrophobicContact CG2-CG 4.41Å; K274-E418 VanDerWaalsContact CE-OE2 3.25Å; K274-E418 WeakPolarHBondContact CE-OE2 3.48Å; K274-E418 IonicContact NZ-OE2 2.95Å; K274-E418 PolarHBondContact NZ-OE2 3.16Å; E418-P482 HydrophobicContact CB-CB 4.1Å; E418-P482 WeakPolarHBondContact O-CB 3.4Å; E418-D483 PolarHBondContact N-OD2 3.07Å; E418-D483 PolarHBondContact O-N 3.49Å; E418-V484 PolarHBondContact O-N 3.42Å; E418-V484 VanDerWaalsContact O-N 3.16Å
419I97.6Very high95.1Very high4 Ų49 Ų92%0.0214%0.044CC..EExtended strand (participates in β ladder)trans-118.9119.8-177.6-54.3174.2000109.3R411 I412 I421 V484 V486 Y519R411-I419 CarbonylContact C-O 3.45Å; R411-I419 WeakPolarHBondContact CA-O 3.47Å; I412-I419 HydrophobicContact CB-CB 4.22Å; I412-I419 PolarHBondContact N-O 3.31Å; I412-I419 WeakPolarHBondContact O-CB 3.5Å; I412-I419 PolarHBondContact O-N 3.35Å; I419-I421 HydrophobicContact CG2-CG1 4.18Å; I419-V484 WeakPolarHBondContact CA-O 3.48Å; I419-V484 HydrophobicContact CB-CB 4.45Å; I419-V484 HydrophobicContact CG1-CB 4.14Å; I419-V484 HydrophobicContact CG1-CG2 4.35Å; I419-V484 HydrophobicContact CG2-CB 4.16Å; I419-V484 HydrophobicContact CG2-CG1 4.36Å; I419-V486 HydrophobicContact CG2-CG2 4.32Å; I419-Y519 HydrophobicContact CD1-CD1 4.39Å; I419-Y519 HydrophobicContact CD1-CE1 4.16Å
420I98.1Very high94.9Very high5 Ų58.9 Ų8.93%0.0264%0.043CC..EExtended strand (participates in β ladder)trans-102.2131.5174.4-56.9-172.6000109.2F265 R411 L458 P482 V484 I485 V486F265-I420 HydrophobicContact CE2-CD1 4.43Å; F265-I420 HydrophobicContact CE2-CG1 3.88Å; F265-I420 HydrophobicContact CZ-CG1 4.48Å; R411-I420 HydrophobicContact CG-CG1 4.29Å; I420-L458 HydrophobicContact CG2-CD1 4.08Å; I420-L458 HydrophobicContact CG2-CD2 4.34Å; I420-P482 HydrophobicContact CD1-CB 4.15Å; I420-P482 HydrophobicContact CD1-CG 3.82Å; I420-P482 HydrophobicContact CG1-CB 4.01Å; I420-P482 HydrophobicContact CG1-CG 3.99Å; I420-V484 PolarHBondContact N-O 2.77Å; I420-I485 HydrophobicContact CB-CG1 4.5Å; I420-I485 HydrophobicContact CB-CG2 4.48Å; I420-I485 CarbonylContact O-C 3.53Å; I420-I485 WeakPolarHBondContact O-CA 3.27Å; I420-V486 PolarHBondContact O-N 3.47Å
421I97.8Very high94.7Very high0 Ų010.8 Ų10.80%06%0.056CC..EExtended strand (participates in β ladder)trans-119.3127.4177.9-53.4166.8000108.8I324 V371 P409 C410 I412 I419 V486I324-I421 HydrophobicContact CD1-CD1 3.73Å; I324-I421 HydrophobicContact CG1-CD1 4.22Å; I324-I421 HydrophobicContact CG2-CD1 3.78Å; I324-I421 HydrophobicContact CG2-CG2 4.38Å; V371-I421 HydrophobicContact CG2-CG2 4.07Å; P409-I421 CarbonylContact C-O 3.29Å; P409-I421 WeakPolarHBondContact CA-O 3.39Å; P409-I421 VanDerWaalsContact CB-O 3.23Å; P409-I421 WeakPolarHBondContact CB-O 3.19Å; C410-I421 PolarHBondContact N-O 3.23Å; C410-I421 PolarHBondContact O-N 3.42Å; I412-I421 HydrophobicContact CD1-CD1 3.42Å; I412-I421 VanDerWaalsContact CD1-CD1 3.42Å; I412-I421 HydrophobicContact CG1-CD1 3.97Å; I419-I421 HydrophobicContact CG2-CG1 4.18Å; I421-V486 HydrophobicContact CB-CB 4.35Å; I421-V486 HydrophobicContact CG1-CB 4.08Å; I421-V486 HydrophobicContact CG1-CG2 4.13Å; I421-V486 HydrophobicContact CG2-CB 4.18Å; I421-V486 HydrophobicContact CG2-CG1 4.21Å
422M96.5Very high94.4Very high3 Ų317.9 Ų17.92%0.0158%0.083CC..EExtended strand (participates in β ladder)trans-135.2123.9176.8-178.616117900110.6L383 P409 E424 L458 T459 V486 A488L383-M422 HydrophobicContact CD1-CE 3.5Å; L383-M422 HydrophobicContact CD2-CE 4.34Å; P409-M422 HydrophobicContact CB-CB 4.1Å; P409-M422 HydrophobicContact CB-CG 4.37Å; M422-E424 HydrophobicContact CE-CB 3.61Å; M422-E424 HydrophobicContact CE-CG 3.96Å; M422-E424 HydrophobicContact CG-CB 4.23Å; M422-L458 HydrophobicContact CB-CD1 4.49Å; M422-L458 HydrophobicContact SD-CB 3.59Å; M422-L458 VanDerWaalsContact SD-CB 3.59Å; M422-L458 HydrophobicContact SD-CD1 3.69Å; M422-L458 HydrophobicContact SD-CD2 4.19Å; M422-L458 HydrophobicContact SD-CG 4.02Å; M422-T459 HydrophobicContact CE-CG2 3.59Å; M422-V486 PolarHBondContact N-O 3.14Å; M422-A488 PolarHBondContact O-N 3.43Å
423R95.9Very high94.2Very high0 Ų019.5 Ų19.50%09%0.091CC..EExtended strand (participates in β ladder)trans-100.599.7173.6169.463.2-164.298.4-0.4110.7D296 C326 G327 V371 R385 N408 D425 A488D296-R423 IonicContact OD1-CZ 3.38Å; D296-R423 IonicContact OD1-NE 3.2Å; D296-R423 PolarHBondContact OD1-NE 3.44Å; D296-R423 IonicContact OD1-NH2 2.84Å; D296-R423 PolarHBondContact OD1-NH2 3.46Å; D296-R423 IonicContact OD2-NH2 3.2Å; C326-R423 HydrophobicContact CB-CB 4.09Å; C326-R423 HydrophobicContact CB-CG 4.27Å; G327-R423 WeakPolarHBondContact O-CD 3.35Å; G327-R423 VanDerWaalsContact O-CG 3.29Å; G327-R423 WeakPolarHBondContact O-CG 3.37Å; G327-R423 PolarHBondContact O-NE 3.16Å; V371-R423 HydrophobicContact CG1-CB 4.33Å; R385-R423 PolarHBondContact NH1-O 3.37Å; R385-R423 PolarHBondContact NH2-O 3.33Å; N408-R423 VanDerWaalsContact ND2-CB 3.34Å; N408-R423 WeakPolarHBondContact ND2-CB 3.45Å; N408-R423 PolarHBondContact ND2-N 3.28Å; N408-R423 PolarHBondContact ND2-O 2.91Å; N408-R423 PolarHBondContact OD1-N 3.29Å; R423-D425 IonicContact CZ-OD1 3.8Å; R423-D425 IonicContact NH1-OD1 2.66Å; R423-D425 PolarHBondContact NH1-OD1 2.81Å; R423-D425 IonicContact NH2-OD1 2.76Å; R423-D425 PolarHBondContact NH2-OD1 3.28Å; R423-D425 VanDerWaalsContact NH2-OD1 3.1Å; R423-A488 WeakPolarHBondContact CA-O 3.31Å; R423-A488 HydrophobicContact CB-CB 3.99Å; R423-A488 WeakPolarHBondContact CD-O 3.33Å; R423-A488 HydrophobicContact CG-CB 4.47Å; R423-A488 PolarHBondContact NH1-O 2.78Å
424E94.8Very high93.9Very high14 Ų1420.5 Ų20.57%0.06510%0.098CC..  trans-157.7150179.6-175.555.9-9600110.5R385 M422 L426 K429 A488R385-E424 IonicContact NH2-OE2 3.23Å; M422-E424 HydrophobicContact CE-CB 3.61Å; M422-E424 HydrophobicContact CE-CG 3.96Å; M422-E424 HydrophobicContact CG-CB 4.23Å; E424-L426 HydrophobicContact CG-CB 4.39Å; E424-L426 PolarHBondContact O-N 3Å; E424-K429 WeakPolarHBondContact OE1-CE 3.48Å; E424-K429 IonicContact OE1-NZ 3.61Å; E424-K429 PolarHBondContact OE1-NZ 2.87Å; E424-K429 IonicContact OE2-NZ 2.82Å; E424-K429 PolarHBondContact OE2-NZ 2.76Å; E424-A488 PolarHBondContact N-O 2.95Å
425D93.5Very high93.5Very high14 Ų1421.4 Ų21.48%0.07510%0.104CC..  trans-85.759.4177.3-59.7-23.7000110.5R423 K429 D489 K490R423-D425 IonicContact CZ-OD1 3.8Å; R423-D425 IonicContact NH1-OD1 2.66Å; R423-D425 PolarHBondContact NH1-OD1 2.81Å; R423-D425 IonicContact NH2-OD1 2.76Å; R423-D425 PolarHBondContact NH2-OD1 3.28Å; R423-D425 VanDerWaalsContact NH2-OD1 3.1Å; D425-K429 WeakPolarHBondContact O-CG 3.18Å; D425-K429 PolarHBondContact O-N 2.77Å; D425-D489 WeakPolarHBondContact CA-OD1 3Å; D425-K490 HydrophobicContact CB-CD 4.29Å; D425-K490 HydrophobicContact CB-CG 4.32Å; D425-K490 VanDerWaalsContact CG-CD 3.48Å; D425-K490 WeakPolarHBondContact OD1-CG 3.49Å; D425-K490 VanDerWaalsContact OD2-CD 3.27Å; D425-K490 WeakPolarHBondContact OD2-CD 3.43Å; D425-K490 WeakPolarHBondContact OD2-CE 3.42Å; D425-K490 IonicContact OD2-NZ 2.82Å; D425-K490 PolarHBondContact OD2-NZ 3.39Å
426L93.1Very high93.1Very high3 Ų325.1 Ų25.12%0.01612%0.119CC..Hα-helixtrans-75.7-39.7-165.9-168.463.8000112.6E424 N428 K429 M430 F448 V452 L458 T459 L461 D489E424-L426 HydrophobicContact CG-CB 4.39Å; E424-L426 PolarHBondContact O-N 3Å; L426-N428 VanDerWaalsContact C-N 3.29Å; L426-N428 PolarHBondContact O-N 3.1Å; L426-K429 PolarHBondContact O-N 2.77Å; L426-M430 HydrophobicContact CD1-CG 4.29Å; L426-M430 HydrophobicContact CD2-SD 4.41Å; L426-M430 HydrophobicContact CG-CG 4.17Å; L426-M430 HydrophobicContact CG-SD 4.1Å; L426-M430 WeakPolarHBondContact O-CG 3.23Å; L426-M430 PolarHBondContact O-N 2.59Å; L426-F448 HydrophobicContact CB-CE2 4.16Å; L426-F448 HydrophobicContact CB-CZ 4.35Å; L426-F448 HydrophobicContact CD2-CE2 3.57Å; L426-F448 HydrophobicContact CD2-CZ 3.77Å; L426-F448 HydrophobicContact CG-CE2 3.78Å; L426-F448 HydrophobicContact CG-CZ 4.28Å; L426-V452 HydrophobicContact CD2-CG2 4.49Å; L426-L458 WeakPolarHBondContact CD2-O 3.39Å; L426-T459 HydrophobicContact CD1-CG2 4.19Å; L426-L461 HydrophobicContact CD1-CD1 3.68Å; L426-D489 PolarHBondContact N-OD2 2.86Å
427V94Very high92.7Very high0 Ų031 Ų310%015%0.149CC..Hα-helixtrans-56.2-48.4-179.61750000110K429 M430 C431 I444 F448 D489 Y491V427-K429 PolarHBondContact O-N 3.06Å; V427-M430 PolarHBondContact O-N 3.01Å; V427-C431 WeakPolarHBondContact O-CB 3.39Å; V427-C431 PolarHBondContact O-N 2.75Å; V427-C431 PolarHBondContact O-SG 3.23Å; V427-I444 HydrophobicContact CG1-CG2 3.92Å; V427-F448 HydrophobicContact CG2-CD1 4.07Å; V427-F448 HydrophobicContact CG2-CD2 4.07Å; V427-F448 HydrophobicContact CG2-CE1 4.25Å; V427-F448 HydrophobicContact CG2-CE2 4.25Å; V427-F448 HydrophobicContact CG2-CG 3.98Å; V427-F448 HydrophobicContact CG2-CZ 4.33Å; V427-D489 WeakPolarHBondContact CG2-OD2 3.48Å; V427-D489 PolarHBondContact N-OD2 3.1Å; V427-Y491 HydrophobicContact CB-CD2 4.24Å; V427-Y491 HydrophobicContact CB-CG 4.12Å; V427-Y491 HydrophobicContact CG1-CD1 4.22Å; V427-Y491 HydrophobicContact CG1-CD2 3.69Å; V427-Y491 HydrophobicContact CG1-CE1 4.42Å; V427-Y491 HydrophobicContact CG1-CE2 3.92Å; V427-Y491 HydrophobicContact CG1-CG 3.85Å; V427-Y491 HydrophobicContact CG2-CG 4.38Å
428N92.7Very high92.1Very high50 Ų5032.1 Ų32.127%0.26716%0.156SC..Hα-helixtrans-66.5-37.2178.4-71.9-52.3000112.7L426 R432L426-N428 VanDerWaalsContact C-N 3.29Å; L426-N428 PolarHBondContact O-N 3.1Å; N428-R432 WeakPolarHBondContact O-CG 3.34Å; N428-R432 PolarHBondContact O-N 2.62Å
429K93.4Very high91.3Very high37 Ų3732.8 Ų32.816%0.16116%0.16CC..Hα-helixtrans-64.9-41.2175.6-77174.1173.2177.10111.4E424 D425 L426 V427 N433 L461 V465E424-K429 WeakPolarHBondContact OE1-CE 3.48Å; E424-K429 IonicContact OE1-NZ 3.61Å; E424-K429 PolarHBondContact OE1-NZ 2.87Å; E424-K429 IonicContact OE2-NZ 2.82Å; E424-K429 PolarHBondContact OE2-NZ 2.76Å; D425-K429 WeakPolarHBondContact O-CG 3.18Å; D425-K429 PolarHBondContact O-N 2.77Å; L426-K429 PolarHBondContact O-N 2.77Å; V427-K429 PolarHBondContact O-N 3.06Å; K429-N433 PolarHBondContact O-N 3.01Å; K429-N433 PolarHBondContact O-ND2 2.67Å; K429-L461 HydrophobicContact CB-CD1 3.83Å; K429-V465 HydrophobicContact CB-CG1 4.37Å
430M93.7Very high90.3Very high0 Ų038.6 Ų38.60%020%0.201CC..Hα-helixtrans-67.2-50.1177.2-65.5-170.985.200111.1L221 T223 L426 V427 R432 N433 C434 F448 T451 P460 L461L221-M430 HydrophobicContact CD1-CB 4.06Å; T223-M430 HydrophobicContact CG2-CB 3.91Å; T223-M430 HydrophobicContact CG2-CE 4.15Å; T223-M430 HydrophobicContact CG2-CG 4.37Å; T223-M430 VanDerWaalsContact CG2-O 3.3Å; T223-M430 WeakPolarHBondContact CG2-O 3.2Å; L426-M430 HydrophobicContact CD1-CG 4.29Å; L426-M430 HydrophobicContact CD2-SD 4.41Å; L426-M430 HydrophobicContact CG-CG 4.17Å; L426-M430 HydrophobicContact CG-SD 4.1Å; L426-M430 WeakPolarHBondContact O-CG 3.23Å; L426-M430 PolarHBondContact O-N 2.59Å; V427-M430 PolarHBondContact O-N 3.01Å; M430-R432 PolarHBondContact O-N 3.07Å; M430-N433 CarbonylContact O-C 3.49Å; M430-N433 PolarHBondContact O-N 3.03Å; M430-C434 PolarHBondContact O-N 3.4Å; M430-C434 PolarHBondContact O-SG 3.19Å; M430-F448 HydrophobicContact SD-CD2 3.54Å; M430-F448 VanDerWaalsContact SD-CD2 3.54Å; M430-F448 HydrophobicContact SD-CE2 3.58Å; M430-F448 VanDerWaalsContact SD-CE2 3.58Å; M430-T451 HydrophobicContact CE-CG2 3.52Å; M430-P460 HydrophobicContact CE-CG 3.56Å; M430-L461 HydrophobicContact CG-CD1 4.06Å; M430-L461 HydrophobicContact CG-CD2 4.16Å; M430-L461 HydrophobicContact CG-CG 4.25Å
431C92Very high89.5Confident42 Ų4244.8 Ų44.828%0.28424%0.235SC..Hα-helixtrans-56.2-36.4178.6-69.30000113.5V427 N433V427-C431 WeakPolarHBondContact O-CB 3.39Å; V427-C431 PolarHBondContact O-N 2.75Å; V427-C431 PolarHBondContact O-SG 3.23Å; C431-N433 VanDerWaalsContact C-N 3.34Å
432R92.1Very high88.8Confident167 Ų16747 Ų4763%0.6325%0.246SC*.Hα-helixtrans-70.9-25.2177-75.4-168.7-60.7-930.9114.4N428 M430N428-R432 WeakPolarHBondContact O-CG 3.34Å; N428-R432 PolarHBondContact O-N 2.62Å; M430-R432 PolarHBondContact O-N 3.07Å
433N90.9Very high88.5Confident35 Ų3552.2 Ų52.219%0.18727%0.274CS..THydrogen-bonded Turntrans-110.315.1-177.9-65.7-85.1000112T223 E224 K429 M430 C431 L461 V465T223-N433 WeakPolarHBondContact CA-O 3.38Å; T223-N433 WeakPolarHBondContact CB-O 3.46Å; E224-N433 PolarHBondContact N-O 2.8Å; E224-N433 VanDerWaalsContact N-O 3.08Å; K429-N433 PolarHBondContact O-N 3.01Å; K429-N433 PolarHBondContact O-ND2 2.67Å; M430-N433 CarbonylContact O-C 3.49Å; M430-N433 PolarHBondContact O-N 3.03Å; C431-N433 VanDerWaalsContact C-N 3.34Å; N433-L461 HydrophobicContact CB-CD2 4.12Å; N433-V465 VanDerWaalsContact ND2-CG1 3.33Å; N433-V465 WeakPolarHBondContact ND2-CG1 3.37Å; N433-V465 VanDerWaalsContact OD1-CG2 3.31Å; N433-V465 WeakPolarHBondContact OD1-CG2 3.38Å
434C88.9Confident88.4Confident25 Ų2554.5 Ų54.517%0.16929%0.286CS..BIsolated β-bridgetrans-67.6131.7174.7-83.20000110.1Y222 M430 R436Y222-C434 CarbonylContact O-C 3.56Å; Y222-C434 VanDerWaalsContact O-CA 3.26Å; Y222-C434 WeakPolarHBondContact O-CA 3.45Å; M430-C434 PolarHBondContact O-N 3.4Å; M430-C434 PolarHBondContact O-SG 3.19Å; C434-R436 WeakPolarHBondContact CB-O 3.46Å; C434-R436 PolarHBondContact O-N 2.91Å
435V86Confident88.4Confident25 Ų2554.6 Ų54.615%0.15229%0.288CS..SBendtrans-58.5-39.5171.8178.60000110I188 F196 M209 Y222I188-V435 HydrophobicContact CD1-CG2 4.48Å; I188-V435 HydrophobicContact CG2-CG2 4.04Å; F196-V435 HydrophobicContact CD1-CG1 4.46Å; F196-V435 HydrophobicContact CE1-CG1 3.97Å; F196-V435 HydrophobicContact CE1-CG2 4.12Å; F196-V435 HydrophobicContact CE2-CG1 4.31Å; F196-V435 HydrophobicContact CZ-CG1 3.89Å; M209-V435 HydrophobicContact CE-CG1 4.09Å; M209-V435 HydrophobicContact SD-CG1 3.92Å; Y222-V435 PolarHBondContact O-N 3.21Å
436R83.3Confident88.4Confident80 Ų8056 Ų5630%0.30230%0.295SS..SBendtrans-146.7153.9172.2-68.9-171.9-1791781.9110.4M209 L212 C434M209-R436 PolarHBondContact O-NH2 3.34Å; L212-R436 PolarHBondContact O-NH1 2.86Å; C434-R436 WeakPolarHBondContact CB-O 3.46Å; C434-R436 PolarHBondContact O-N 2.91Å
437L81.9Confident88.4Confident135 Ų13556 Ų5671%0.70730%0.295SS*.PPolyproline II helixtrans-63.7137.9171.6-66.6173.1000109.8
438P81.6Confident88.5Confident24 Ų2456 Ų5616%0.15630%0.295CS..PPolyproline II helixtrans-65.9160.8177.831.3-37.8000111.1L221 I444L221-P438 HydrophobicContact CD2-CB 4.03Å; L221-P438 HydrophobicContact CD2-CG 3.61Å; P438-I444 HydrophobicContact CG-CD1 3.44Å; P438-I444 VanDerWaalsContact CG-CD1 3.44Å
439N78.6Confident88.6Confident25 Ų2553.6 Ų53.613%0.13428%0.282CS..PPolyproline II helixtrans-65.2138.7177-66.8-15.2000110.8F214 N441 H447F214-N439 PolarHBondContact O-ND2 2.95Å; F214-N439 PolarHBondContact O-OD1 2.97Å; N439-N441 PolarHBondContact O-N 2.97Å; N439-H447 PolarHBondContact O-NE2 3.02Å
440S77.9Confident88.6Confident126 Ų12655 Ų5588%0.88129%0.289SS*.THydrogen-bonded Turntrans-69.64179.9-45.20000115L442S440-L442 VanDerWaalsContact C-N 3.28Å; S440-L442 PolarHBondContact O-N 3.46Å
441N80.1Confident88.7Confident136 Ų13655 Ų5573%0.72729%0.289SS*.THydrogen-bonded Turntrans-76.4-16.4-177.7-67.1-5.5000113N439N439-N441 PolarHBondContact O-N 2.97Å
442L84.8Confident88.9Confident46 Ų4653 Ų5324%0.24128%0.275CS..SBendtrans-140.1143-176.3-170.478.5000108.6N219 S440 N446 H447 K450N219-L442 HydrophobicContact CB-CD2 4.14Å; S440-L442 VanDerWaalsContact C-N 3.28Å; S440-L442 PolarHBondContact O-N 3.46Å; L442-N446 HydrophobicContact CD1-CB 3.99Å; L442-N446 HydrophobicContact CD2-CB 3.61Å; L442-N446 HydrophobicContact CG-CB 3.54Å; L442-H447 WeakPolarHBondContact CB-NE2 3.38Å; L442-H447 PolarHBondContact O-CD2 3.16Å; L442-H447 VanDerWaalsContact O-CD2 3.26Å; L442-H447 PolarHBondContact O-NE2 3.32Å; L442-K450 HydrophobicContact CD2-CD 4.44Å
443D90.3Very high89.1Confident113 Ų11345.2 Ų45.260%0.60425%0.246SC*.  trans-65.2150.7-177.4-53.2-47.8000111.8P445 N446 H447D443-P445 VanDerWaalsContact C-CD 3.49Å; D443-P445 VanDerWaalsContact C-N 3.33Å; D443-N446 WeakPolarHBondContact O-CB 3.31Å; D443-N446 PolarHBondContact O-N 2.91Å; D443-H447 PolarHBondContact O-CD2 2.82Å; D443-H447 PolarHBondContact O-N 3.33Å; D443-H447 VanDerWaalsContact O-N 3.16Å
444I92.6Very high89.3Confident48 Ų4844.2 Ų44.225%0.24624%0.241CC..Hα-helixtrans-53.1-43.5179.2-59.3-60.3000112.6V427 P438 N446 H447 F448V427-I444 HydrophobicContact CG1-CG2 3.92Å; P438-I444 HydrophobicContact CG-CD1 3.44Å; P438-I444 VanDerWaalsContact CG-CD1 3.44Å; I444-N446 VanDerWaalsContact C-N 3.29Å; I444-N446 PolarHBondContact O-N 2.71Å; I444-H447 PolarHBondContact O-N 2.86Å; I444-F448 WeakPolarHBondContact O-CB 3.32Å; I444-F448 PolarHBondContact O-N 3.49Å
445P94.4Very high89.6Confident16 Ų1643.5 Ų43.510%0.10424%0.235CC..Hα-helixtrans-59.3-36.4176.7-28.839.2000114D443 F448 V449 Y491 F494 I496D443-P445 VanDerWaalsContact C-CD 3.49Å; D443-P445 VanDerWaalsContact C-N 3.33Å; P445-F448 WeakPolarHBondContact O-CB 3.49Å; P445-F448 PolarHBondContact O-N 3.07Å; P445-V449 WeakPolarHBondContact O-CG2 3.41Å; P445-V449 PolarHBondContact O-N 2.89Å; P445-Y491 HydrophobicContact CG-CD1 4.44Å; P445-Y491 HydrophobicContact CG-CE1 3.88Å; P445-F494 HydrophobicContact CB-CB 4.15Å; P445-F494 HydrophobicContact CB-CD1 3.63Å; P445-F494 HydrophobicContact CB-CD2 4.04Å; P445-F494 HydrophobicContact CB-CE1 3.97Å; P445-F494 HydrophobicContact CB-CE2 4.36Å; P445-F494 HydrophobicContact CB-CG 3.68Å; P445-F494 HydrophobicContact CB-CZ 4.33Å; P445-F494 HydrophobicContact CG-CB 4.39Å; P445-F494 HydrophobicContact CG-CD1 3.79Å; P445-F494 HydrophobicContact CG-CE1 4.31Å; P445-F494 HydrophobicContact CG-CG 4.16Å; P445-I496 HydrophobicContact CB-CD1 3.53Å
446N93.9Very high90.1Very high42 Ų4242.5 Ų42.523%0.22523%0.23CC..Hα-helixtrans-69.2-39.6177.2-80.9-69.2000111.5L442 D443 I444 F448 K450 I496L442-N446 HydrophobicContact CD1-CB 3.99Å; L442-N446 HydrophobicContact CD2-CB 3.61Å; L442-N446 HydrophobicContact CG-CB 3.54Å; D443-N446 WeakPolarHBondContact O-CB 3.31Å; D443-N446 PolarHBondContact O-N 2.91Å; I444-N446 VanDerWaalsContact C-N 3.29Å; I444-N446 PolarHBondContact O-N 2.71Å; N446-F448 VanDerWaalsContact C-N 3.35Å; N446-K450 WeakPolarHBondContact O-CB 3.49Å; N446-K450 WeakPolarHBondContact O-CG 3.45Å; N446-K450 PolarHBondContact O-N 3.29Å; N446-I496 HydrophobicContact CB-CD1 4.29Å; N446-I496 WeakPolarHBondContact OD1-CG2 3.46Å
447H93.7Very high90.7Very high3 Ų339 Ų391%0.01422%0.218CC..Hα-helixtrans-63.8-41.6171.6-77-72.9000111.9G220 L221 N439 L442 D443 I444 T451G220-H447 WeakPolarHBondContact CA-ND1 3.26Å; G220-H447 PolarHBondContact N-ND1 3.18Å; L221-H447 HydrophobicContact CD2-CB 4.01Å; L221-H447 HydrophobicContact CG-CB 3.9Å; N439-H447 PolarHBondContact O-NE2 3.02Å; L442-H447 WeakPolarHBondContact CB-NE2 3.38Å; L442-H447 PolarHBondContact O-CD2 3.16Å; L442-H447 VanDerWaalsContact O-CD2 3.26Å; L442-H447 PolarHBondContact O-NE2 3.32Å; D443-H447 PolarHBondContact O-CD2 2.82Å; D443-H447 PolarHBondContact O-N 3.33Å; D443-H447 VanDerWaalsContact O-N 3.16Å; I444-H447 PolarHBondContact O-N 2.86Å; H447-T451 PolarHBondContact O-N 2.9Å; H447-T451 PolarHBondContact O-OG1 2.86Å
448F95.2Very high91.4Very high0 Ų032.7 Ų32.70%018%0.184CC..Hα-helixtrans-60.8-53177.8167.6-105000112.1L221 L426 V427 M430 I444 P445 N446 K450 T451 V452 F487 F494L221-F448 HydrophobicContact CD1-CB 3.92Å; L221-F448 HydrophobicContact CD1-CD2 4.46Å; L426-F448 HydrophobicContact CB-CE2 4.16Å; L426-F448 HydrophobicContact CB-CZ 4.35Å; L426-F448 HydrophobicContact CD2-CE2 3.57Å; L426-F448 HydrophobicContact CD2-CZ 3.77Å; L426-F448 HydrophobicContact CG-CE2 3.78Å; L426-F448 HydrophobicContact CG-CZ 4.28Å; V427-F448 HydrophobicContact CG2-CD1 4.07Å; V427-F448 HydrophobicContact CG2-CD2 4.07Å; V427-F448 HydrophobicContact CG2-CE1 4.25Å; V427-F448 HydrophobicContact CG2-CE2 4.25Å; V427-F448 HydrophobicContact CG2-CG 3.98Å; V427-F448 HydrophobicContact CG2-CZ 4.33Å; M430-F448 HydrophobicContact SD-CD2 3.54Å; M430-F448 VanDerWaalsContact SD-CD2 3.54Å; M430-F448 HydrophobicContact SD-CE2 3.58Å; M430-F448 VanDerWaalsContact SD-CE2 3.58Å; I444-F448 WeakPolarHBondContact O-CB 3.32Å; I444-F448 PolarHBondContact O-N 3.49Å; P445-F448 WeakPolarHBondContact O-CB 3.49Å; P445-F448 PolarHBondContact O-N 3.07Å; N446-F448 VanDerWaalsContact C-N 3.35Å; F448-K450 PolarHBondContact O-N 3.41Å; F448-T451 WeakPolarHBondContact O-CA 3.44Å; F448-T451 WeakPolarHBondContact O-CB 3.21Å; F448-T451 PolarHBondContact O-N 3.49Å; F448-V452 HydrophobicContact CD2-CG2 4.27Å; F448-V452 HydrophobicContact CE2-CG2 3.76Å; F448-V452 HydrophobicContact CZ-CG2 3.9Å; F448-V452 PolarHBondContact O-N 3.46Å; F448-F487 HydrophobicContact CE1-CB 4.27Å; F448-F487 AromaticContact CE1-CD1 3.88Å; F448-F487 HydrophobicContact CE1-CD1 3.88Å; F448-F487 AromaticContact CE1-CD2 3.75Å; F448-F487 HydrophobicContact CE1-CD2 3.75Å; F448-F487 HydrophobicContact CE1-CE1 4.08Å; F448-F487 AromaticContact CE1-CE2 3.95Å; F448-F487 HydrophobicContact CE1-CE2 3.95Å; F448-F487 AromaticContact CE1-CG 3.69Å; F448-F487 HydrophobicContact CE1-CG 3.69Å; F448-F487 HydrophobicContact CE1-CZ 4.1Å; F448-F487 AromaticContact CZ-CD1 3.66Å; F448-F487 HydrophobicContact CZ-CD1 3.66Å; F448-F487 HydrophobicContact CZ-CD2 4.38Å; F448-F487 AromaticContact CZ-CE1 3.8Å; F448-F487 HydrophobicContact CZ-CE1 3.8Å; F448-F487 HydrophobicContact CZ-CE2 4.49Å; F448-F487 AromaticContact CZ-CG 3.96Å; F448-F487 HydrophobicContact CZ-CG 3.96Å; F448-F487 HydrophobicContact CZ-CZ 4.21Å; F448-F494 AromaticContact CD1-CZ 4Å; F448-F494 HydrophobicContact CD1-CZ 4Å; F448-F494 HydrophobicContact CE1-CZ 4.1Å
449V95.5Very high92Very high1 Ų131.5 Ų31.51%0.00618%0.177CC..Hα-helixtrans-59.3-45.6179.6168.30000111.3P445 T451 V452 L453 F494 I496 C503P445-V449 WeakPolarHBondContact O-CG2 3.41Å; P445-V449 PolarHBondContact O-N 2.89Å; V449-T451 PolarHBondContact O-N 3.04Å; V449-V452 PolarHBondContact O-N 3.48Å; V449-L453 HydrophobicContact CG1-CD1 3.84Å; V449-L453 HydrophobicContact CG1-CG 4.37Å; V449-L453 WeakPolarHBondContact O-CG 3.37Å; V449-L453 PolarHBondContact O-N 2.98Å; V449-L453 VanDerWaalsContact O-N 3.1Å; V449-F494 HydrophobicContact CG2-CE2 4.07Å; V449-I496 HydrophobicContact CG1-CG2 4.35Å; V449-I496 HydrophobicContact CG2-CB 4.37Å; V449-I496 HydrophobicContact CG2-CD1 4.41Å; V449-C503 HydrophobicContact CB-CB 4.36Å; V449-C503 HydrophobicContact CG1-CB 3.86Å; V449-C503 VanDerWaalsContact CG1-SG 3.56Å; V449-C503 HydrophobicContact CG2-CB 3.51Å
450K94.1Very high92.7Very high67 Ų6730.4 Ų30.429%0.29117%0.171SC..Hα-helixtrans-56.8-39.7174.9-76179.8-177.9-178.60112N219 L442 N446 F448 S454N219-K450 HydrophobicContact CB-CD 4.06Å; L442-K450 HydrophobicContact CD2-CD 4.44Å; N446-K450 WeakPolarHBondContact O-CB 3.49Å; N446-K450 WeakPolarHBondContact O-CG 3.45Å; N446-K450 PolarHBondContact O-N 3.29Å; F448-K450 PolarHBondContact O-N 3.41Å; K450-S454 WeakPolarHBondContact O-CB 3.47Å; K450-S454 PolarHBondContact O-N 2.84Å; K450-S454 PolarHBondContact O-OG 3.23Å
451T94.9Very high93.5Very high0 Ų024.5 Ų24.50%013%0.13CC..Hα-helixtrans-66.3-52.4-179.6-50.60000111.1L221 F246 M430 H447 F448 V449 L453 S454 Q455 P460L221-T451 PolarHBondContact N-OG1 3.08Å; L221-T451 VanDerWaalsContact O-CG2 3.23Å; L221-T451 WeakPolarHBondContact O-CG2 3.48Å; F246-T451 HydrophobicContact CE1-CG2 4.41Å; F246-T451 HydrophobicContact CE2-CG2 4.27Å; F246-T451 HydrophobicContact CZ-CG2 3.83Å; M430-T451 HydrophobicContact CE-CG2 3.52Å; H447-T451 PolarHBondContact O-N 2.9Å; H447-T451 PolarHBondContact O-OG1 2.86Å; F448-T451 WeakPolarHBondContact O-CA 3.44Å; F448-T451 WeakPolarHBondContact O-CB 3.21Å; F448-T451 PolarHBondContact O-N 3.49Å; V449-T451 PolarHBondContact O-N 3.04Å; T451-L453 PolarHBondContact O-N 3.25Å; T451-S454 PolarHBondContact O-N 3.34Å; T451-Q455 HydrophobicContact CG2-CG 4.14Å; T451-Q455 WeakPolarHBondContact O-CB 3.24Å; T451-Q455 WeakPolarHBondContact O-CG 3.45Å; T451-Q455 PolarHBondContact O-N 3.31Å; T451-P460 HydrophobicContact CG2-CG 4.43Å
452V95.8Very high94.1Very high0 Ų018.3 Ų18.30%010%0.096CC..Hα-helixtrans-60.4-45.4-177.51750000111.5L426 F448 V449 Q455 G456 H457 V478 F487L426-V452 HydrophobicContact CD2-CG2 4.49Å; F448-V452 HydrophobicContact CD2-CG2 4.27Å; F448-V452 HydrophobicContact CE2-CG2 3.76Å; F448-V452 HydrophobicContact CZ-CG2 3.9Å; F448-V452 PolarHBondContact O-N 3.46Å; V449-V452 PolarHBondContact O-N 3.48Å; V452-Q455 PolarHBondContact O-N 3.12Å; V452-G456 PolarHBondContact O-N 2.76Å; V452-H457 PolarHBondContact O-N 2.78Å; V452-V478 HydrophobicContact CG1-CG2 4.21Å; V452-F487 HydrophobicContact CB-CZ 4.15Å; V452-F487 HydrophobicContact CG1-CE1 4.06Å; V452-F487 HydrophobicContact CG1-CZ 3.77Å; V452-F487 HydrophobicContact CG2-CE1 4.27Å; V452-F487 HydrophobicContact CG2-CZ 4.22Å
453L95.9Very high94.6Very high2 Ų217.5 Ų17.51%0.019%0.092CC..Hα-helixtrans-66.7-42.4178.6-64.3179.4000112R141 T249 V449 T451 Q455 G456 V478 V481 I485 S498 C501R141-L453 PolarHBondContact NH1-O 2.91Å; T249-L453 HydrophobicContact CG2-CB 4.12Å; V449-L453 HydrophobicContact CG1-CD1 3.84Å; V449-L453 HydrophobicContact CG1-CG 4.37Å; V449-L453 WeakPolarHBondContact O-CG 3.37Å; V449-L453 PolarHBondContact O-N 2.98Å; V449-L453 VanDerWaalsContact O-N 3.1Å; T451-L453 PolarHBondContact O-N 3.25Å; L453-Q455 VanDerWaalsContact C-N 3.34Å; L453-Q455 PolarHBondContact O-N 3.05Å; L453-G456 PolarHBondContact O-N 2.94Å; L453-G456 VanDerWaalsContact O-N 3.12Å; L453-V478 HydrophobicContact CD2-CG1 4.2Å; L453-V481 HydrophobicContact CD2-CG1 4.19Å; L453-I485 HydrophobicContact CD2-CD1 3.77Å; L453-S498 WeakPolarHBondContact CD1-O 3.21Å; L453-C501 HydrophobicContact CD1-CB 4.35Å; L453-C501 HydrophobicContact CD2-CB 4.28Å
454S95.4Very high94.7Very high14 Ų1419.3 Ų19.310%0.0989%0.092CC..Hα-helixtrans-69.4-32.8178.1-50.90000111.9L138 R141 T249 K450 T451 G456L138-S454 WeakPolarHBondContact CD2-O 3.32Å; R141-S454 PolarHBondContact NH1-O 3.15Å; R141-S454 PolarHBondContact NH2-O 3.35Å; T249-S454 PolarHBondContact OG1-OG 3.12Å; K450-S454 WeakPolarHBondContact O-CB 3.47Å; K450-S454 PolarHBondContact O-N 2.84Å; K450-S454 PolarHBondContact O-OG 3.23Å; T451-S454 PolarHBondContact O-N 3.34Å; S454-G456 VanDerWaalsContact C-N 3.27Å; S454-G456 PolarHBondContact O-N 2.96Å
455Q95.9Very high94.7Very high10 Ų1018.3 Ų18.35%0.0479%0.088CC..Hα-helixtrans-76.2-16.9173.2-64-60.4-51.700112.5F227 T451 V452 L453 H457 P460F227-Q455 PolarHBondContact O-NE2 2.95Å; T451-Q455 HydrophobicContact CG2-CG 4.14Å; T451-Q455 WeakPolarHBondContact O-CB 3.24Å; T451-Q455 WeakPolarHBondContact O-CG 3.45Å; T451-Q455 PolarHBondContact O-N 3.31Å; V452-Q455 PolarHBondContact O-N 3.12Å; L453-Q455 VanDerWaalsContact C-N 3.34Å; L453-Q455 PolarHBondContact O-N 3.05Å; Q455-H457 PolarHBondContact O-N 3.15Å; Q455-P460 HydrophobicContact CB-CB 3.74Å; Q455-P460 HydrophobicContact CB-CG 4.16Å; Q455-P460 HydrophobicContact CG-CB 3.56Å; Q455-P460 HydrophobicContact CG-CG 3.97Å
456G95.6Very high94.7Very high4 Ų417.7 Ų17.74%0.0418%0.084CC..THydrogen-bonded Turntrans59.326.8-176.500000112.6V452 L453 S454 V478V452-G456 PolarHBondContact O-N 2.76Å; L453-G456 PolarHBondContact O-N 2.94Å; L453-G456 VanDerWaalsContact O-N 3.12Å; S454-G456 VanDerWaalsContact C-N 3.27Å; S454-G456 PolarHBondContact O-N 2.96Å; G456-V478 PolarHBondContact O-N 2.89Å
457H96.8Very high94.7Very high8 Ų817.8 Ų17.84%0.0379%0.087CC..BIsolated β-bridgetrans-153.4136.8-170.5-163.883.1000110.6R134 V452 Q455 T459 D473R134-H457 VanDerWaalsContact CZ-NE2 3.3Å; R134-H457 PolarHBondContact NH2-NE2 3.22Å; V452-H457 PolarHBondContact O-N 2.78Å; Q455-H457 PolarHBondContact O-N 3.15Å; H457-T459 PolarHBondContact CD2-N 2.83Å; H457-T459 VanDerWaalsContact CD2-N 3.29Å; H457-T459 PolarHBondContact CD2-O 3.32Å; H457-T459 PolarHBondContact NE2-OG1 2.99Å; H457-D473 VanDerWaalsContact CE1-CG 3.5Å; H457-D473 PolarHBondContact CE1-O 3.26Å; H457-D473 IonicContact CE1-OD1 3.1Å; H457-D473 PolarHBondContact CE1-OD1 3.36Å; H457-D473 VanDerWaalsContact CE1-OD1 3.29Å; H457-D473 IonicContact CE1-OD2 3.42Å; H457-D473 PolarHBondContact CE1-OD2 3.44Å; H457-D473 VanDerWaalsContact CE1-OD2 3.28Å; H457-D473 IonicContact ND1-OD2 3.39Å; H457-D473 IonicContact NE2-OD1 2.75Å; H457-D473 PolarHBondContact NE2-OD1 2.79Å
458L95.6Very high94.8Very high1 Ų118 Ų181%0.0059%0.088CC..SBendtrans-68-36.2-174.3-70.5169.9000112.8P409 I420 M422 L426 P460 L476 V478 I485 F487P409-L458 HydrophobicContact CB-CD1 3.87Å; P409-L458 HydrophobicContact CG-CD1 3.79Å; I420-L458 HydrophobicContact CG2-CD1 4.08Å; I420-L458 HydrophobicContact CG2-CD2 4.34Å; M422-L458 HydrophobicContact CB-CD1 4.49Å; M422-L458 HydrophobicContact SD-CB 3.59Å; M422-L458 VanDerWaalsContact SD-CB 3.59Å; M422-L458 HydrophobicContact SD-CD1 3.69Å; M422-L458 HydrophobicContact SD-CD2 4.19Å; M422-L458 HydrophobicContact SD-CG 4.02Å; L426-L458 WeakPolarHBondContact CD2-O 3.39Å; L458-P460 VanDerWaalsContact C-CD 3.49Å; L458-P460 WeakPolarHBondContact O-CD 3.32Å; L458-L476 WeakPolarHBondContact CB-O 3.23Å; L458-L476 WeakPolarHBondContact CG-O 3.3Å; L458-L476 PolarHBondContact N-O 2.85Å; L458-V478 HydrophobicContact CB-CG2 4.37Å; L458-V478 HydrophobicContact CD2-CG2 3.47Å; L458-V478 VanDerWaalsContact CD2-CG2 3.47Å; L458-V478 HydrophobicContact CG-CG2 3.5Å; L458-V478 VanDerWaalsContact CG-CG2 3.5Å; L458-I485 HydrophobicContact CD2-CG2 4.35Å; L458-F487 HydrophobicContact CD2-CE1 4.07Å
459T94.3Very high94.8Very high0 Ų019.5 Ų19.50%010%0.095CC..  trans-121.873.7-177.951.70000112.3R134 L383 M422 L426 H457 L461R134-T459 PolarHBondContact NH1-O 3.33Å; L383-T459 HydrophobicContact CD1-CG2 3.73Å; M422-T459 HydrophobicContact CE-CG2 3.59Å; L426-T459 HydrophobicContact CD1-CG2 4.19Å; H457-T459 PolarHBondContact CD2-N 2.83Å; H457-T459 VanDerWaalsContact CD2-N 3.29Å; H457-T459 PolarHBondContact CD2-O 3.32Å; H457-T459 PolarHBondContact NE2-OG1 2.99Å; T459-L461 PolarHBondContact O-N 3.07Å
460P94.1Very high94.8Very high2 Ų223.6 Ų23.61%0.01311%0.11CC..  trans-77.658176.635.1-35.3000110.6T223 M430 T451 Q455 L458T223-P460 PolarHBondContact OG1-O 3.3Å; M430-P460 HydrophobicContact CE-CG 3.56Å; T451-P460 HydrophobicContact CG2-CG 4.43Å; Q455-P460 HydrophobicContact CB-CB 3.74Å; Q455-P460 HydrophobicContact CB-CG 4.16Å; Q455-P460 HydrophobicContact CG-CB 3.56Å; Q455-P460 HydrophobicContact CG-CG 3.97Å; L458-P460 VanDerWaalsContact C-CD 3.49Å; L458-P460 WeakPolarHBondContact O-CD 3.32Å
461L94.2Very high94.8Very high2 Ų220.6 Ų20.61%0.0110%0.098CC..SBendtrans-130.6159.5-177-72.1170.8000109.5T223 L426 K429 M430 N433 T459 V465T223-L461 HydrophobicContact CG2-CD2 4.04Å; L426-L461 HydrophobicContact CD1-CD1 3.68Å; K429-L461 HydrophobicContact CB-CD1 3.83Å; M430-L461 HydrophobicContact CG-CD1 4.06Å; M430-L461 HydrophobicContact CG-CD2 4.16Å; M430-L461 HydrophobicContact CG-CG 4.25Å; N433-L461 HydrophobicContact CB-CD2 4.12Å; T459-L461 PolarHBondContact O-N 3.07Å; L461-V465 HydrophobicContact CB-CB 4.4Å; L461-V465 HydrophobicContact CB-CG1 4.46Å; L461-V465 HydrophobicContact CD1-CG1 4.08Å
462P93.5Very high94.8Very high5 Ų522.1 Ų22.13%0.03210%0.104CC..  trans-64.6152.2175.4-18.231.2000111.9E224 S225 Y464 V465 S466E224-P462 HydrophobicContact CB-CG 3.76Å; E224-P462 HydrophobicContact CG-CG 3.77Å; E224-P462 WeakPolarHBondContact O-CD 3.38Å; S225-P462 WeakPolarHBondContact OG-CA 3.49Å; S225-P462 WeakPolarHBondContact OG-CG 3.26Å; P462-Y464 HydrophobicContact CB-CD1 3.54Å; P462-Y464 HydrophobicContact CB-CE1 3.17Å; P462-Y464 HydrophobicContact CB-CG 4.35Å; P462-Y464 HydrophobicContact CG-CD1 4.5Å; P462-Y464 HydrophobicContact CG-CE1 3.7Å; P462-Y464 PolarHBondContact O-N 3.48Å; P462-Y464 VanDerWaalsContact O-N 3.14Å; P462-V465 HydrophobicContact CB-CG2 4.3Å; P462-V465 HydrophobicContact CG-CG2 4.15Å; P462-V465 PolarHBondContact O-N 2.92Å; P462-S466 PolarHBondContact O-N 3.12Å
463L94.4Very high94.8Very high29 Ų2922.3 Ų22.315%0.15211%0.105CC..THydrogen-bonded Turntrans-61.3-24.1-179.3-69.2172.9000114K127 L130 F131 S466 P467 V468K127-L463 HydrophobicContact CD-CD1 4.5Å; K127-L463 HydrophobicContact CG-CD1 4.05Å; L130-L463 HydrophobicContact CD1-CD2 4.08Å; F131-L463 HydrophobicContact CE2-CD1 3.89Å; F131-L463 HydrophobicContact CE2-CG 4.38Å; F131-L463 HydrophobicContact CZ-CD1 4Å; F131-L463 HydrophobicContact CZ-CG 3.98Å; L463-S466 CarbonylContact O-C 3.45Å; L463-P467 VanDerWaalsContact O-CA 3.24Å; L463-P467 WeakPolarHBondContact O-CA 3.49Å; L463-V468 HydrophobicContact CD2-CB 3.96Å; L463-V468 HydrophobicContact CD2-CG2 4.35Å
464Y92.6Very high94.7Very high152 Ų15222.9 Ų22.960%0.59611%0.107SC*.THydrogen-bonded Turntrans-78.6-20.917667.9-96.6000112.7E224 P462E224-Y464 VanDerWaalsContact CD-OH 3.28Å; E224-Y464 PolarHBondContact OE2-OH 2.66Å; P462-Y464 HydrophobicContact CB-CD1 3.54Å; P462-Y464 HydrophobicContact CB-CE1 3.17Å; P462-Y464 HydrophobicContact CB-CG 4.35Å; P462-Y464 HydrophobicContact CG-CD1 4.5Å; P462-Y464 HydrophobicContact CG-CE1 3.7Å; P462-Y464 PolarHBondContact O-N 3.48Å; P462-Y464 VanDerWaalsContact O-N 3.14Å
465V93.4Very high94.7Very high26 Ų2622.3 Ų22.316%0.15810%0.103CC..THydrogen-bonded Turntrans-89-45174.7-177.50000110.8K429 N433 L461 P462K429-V465 HydrophobicContact CB-CG1 4.37Å; N433-V465 VanDerWaalsContact ND2-CG1 3.33Å; N433-V465 WeakPolarHBondContact ND2-CG1 3.37Å; N433-V465 VanDerWaalsContact OD1-CG2 3.31Å; N433-V465 WeakPolarHBondContact OD1-CG2 3.38Å; L461-V465 HydrophobicContact CB-CB 4.4Å; L461-V465 HydrophobicContact CB-CG1 4.46Å; L461-V465 HydrophobicContact CD1-CG1 4.08Å; P462-V465 HydrophobicContact CB-CG2 4.3Å; P462-V465 HydrophobicContact CG-CG2 4.15Å; P462-V465 PolarHBondContact O-N 2.92Å
466S93.8Very high94.8Very high3 Ų321.9 Ų21.92%0.02110%0.101CC..SBendtrans-128.490.7177.9-168.90000108.8P462 L463 V468P462-S466 PolarHBondContact O-N 3.12Å; L463-S466 CarbonylContact O-C 3.45Å; S466-V468 PolarHBondContact O-N 2.88Å
467P95Very high94.8Very high45 Ų4522.8 Ų22.829%0.29210%0.103SC..  trans-60.8134.1176.5-24.234.8000111.7I382 L383 L463I382-P467 WeakPolarHBondContact CA-O 3.29Å; I382-P467 HydrophobicContact CB-CB 4.42Å; I382-P467 HydrophobicContact CG1-CB 4.06Å; I382-P467 HydrophobicContact CG2-CB 4.32Å; L383-P467 PolarHBondContact N-O 2.95Å; L463-P467 VanDerWaalsContact O-CA 3.24Å; L463-P467 WeakPolarHBondContact O-CA 3.49Å
468V95.4Very high94.7Very high6 Ų622.5 Ų22.54%0.03610%0.102CC..BIsolated β-bridgetrans-131.5140.3178.5-179.50000109.3L383 L463 S466 W470 D473 L476L383-V468 HydrophobicContact CB-CG2 4.35Å; L383-V468 CarbonylContact O-C 3.52Å; L383-V468 WeakPolarHBondContact O-CA 3.44Å; L383-V468 WeakPolarHBondContact O-CG1 3.49Å; L463-V468 HydrophobicContact CD2-CB 3.96Å; L463-V468 HydrophobicContact CD2-CG2 4.35Å; S466-V468 PolarHBondContact O-N 2.88Å; V468-W470 VanDerWaalsContact O-CD1 3.26Å; V468-W470 PolarHBondContact O-N 2.94Å; V468-D473 HydrophobicContact CG1-CB 4.32Å; V468-L476 HydrophobicContact CB-CD1 4.37Å; V468-L476 HydrophobicContact CG1-CD1 3.69Å; V468-L476 HydrophobicContact CG2-CD1 3.68Å
469F95.3Very high94.7Very high33 Ų3323 Ų2315%0.14510%0.104CC..  trans-64.4112.8166.5-69.1-64.5000109.2L120 I382 L383 P384 A471 Y472 D473L120-F469 HydrophobicContact CB-CD1 4.37Å; L120-F469 HydrophobicContact CB-CE1 4.34Å; L120-F469 HydrophobicContact CD2-CD1 4.12Å; L120-F469 HydrophobicContact CD2-CD2 4.09Å; L120-F469 HydrophobicContact CD2-CE1 4.12Å; L120-F469 HydrophobicContact CD2-CE2 4.09Å; L120-F469 HydrophobicContact CD2-CG 4.11Å; L120-F469 HydrophobicContact CD2-CZ 4.11Å; L120-F469 WeakPolarHBondContact O-CD1 3.43Å; I382-F469 HydrophobicContact CB-CE2 4.14Å; I382-F469 HydrophobicContact CB-CZ 4.12Å; I382-F469 HydrophobicContact CD1-CE1 4.44Å; I382-F469 HydrophobicContact CD1-CZ 4.46Å; I382-F469 HydrophobicContact CG2-CD1 4.02Å; I382-F469 HydrophobicContact CG2-CD2 3.8Å; I382-F469 HydrophobicContact CG2-CE1 3.95Å; I382-F469 HydrophobicContact CG2-CE2 3.72Å; I382-F469 HydrophobicContact CG2-CG 3.95Å; I382-F469 HydrophobicContact CG2-CZ 3.8Å; L383-F469 WeakPolarHBondContact O-CD2 3.36Å; L383-F469 PolarHBondContact O-N 3.41Å; P384-F469 WeakPolarHBondContact O-CE2 3.45Å; F469-A471 VanDerWaalsContact C-N 3.3Å; F469-A471 PolarHBondContact O-N 3.26Å; F469-A471 VanDerWaalsContact O-N 3.15Å; F469-Y472 HydrophobicContact CB-CD2 4.2Å; F469-Y472 CarbonylContact O-C 3.55Å; F469-Y472 WeakPolarHBondContact O-CA 3.35Å; F469-Y472 PolarHBondContact O-N 3.34Å; F469-D473 PolarHBondContact O-N 3.25Å
470W95.1Very high94.7Very high86 Ų8624 Ų2433%0.32611%0.111SC..G310 helixtrans-55.8-42.7-164.4-51.6-29.7000113.8D126 K127 V468 Y472D126-W470 HydrophobicContact CB-CB 3.96Å; K127-W470 HydrophobicContact CB-CD2 3.61Å; K127-W470 HydrophobicContact CB-CE3 3.73Å; K127-W470 HydrophobicContact CB-CG 4.02Å; K127-W470 HydrophobicContact CB-CH2 4.44Å; K127-W470 HydrophobicContact CB-CZ2 4.35Å; K127-W470 HydrophobicContact CB-CZ3 4.15Å; K127-W470 HydrophobicContact CD-CH2 4.27Å; K127-W470 HydrophobicContact CD-CZ2 3.84Å; K127-W470 HydrophobicContact CG-CD2 4.02Å; K127-W470 HydrophobicContact CG-CG 4.3Å; K127-W470 HydrophobicContact CG-CZ2 4.25Å; V468-W470 VanDerWaalsContact O-CD1 3.26Å; V468-W470 PolarHBondContact O-N 2.94Å; W470-Y472 VanDerWaalsContact C-N 3.26Å; W470-Y472 PolarHBondContact O-N 3.02Å
471A93.2Very high94.7Very high4 Ų424 Ų243%0.03311%0.111CC..G310 helixtrans-74.4-13.6-179.600000114.1P118 F469 Y474P118-A471 HydrophobicContact CB-CB 3.77Å; P118-A471 WeakPolarHBondContact CB-O 3.46Å; F469-A471 VanDerWaalsContact C-N 3.3Å; F469-A471 PolarHBondContact O-N 3.26Å; F469-A471 VanDerWaalsContact O-N 3.15Å; A471-Y474 WeakPolarHBondContact O-CD1 3.07Å; A471-Y474 VanDerWaalsContact O-CE1 3.32Å; A471-Y474 WeakPolarHBondContact O-CE1 3.27Å
472Y95.3Very high94.8Very high33 Ų3324 Ų2413%0.12911%0.111CC..G310 helixtrans-105.911.8-179.9-74.1-77.9000113.3F93 P118 L120 F469 W470 Y474 S475F93-Y472 AromaticContact CD1-CD1 3.77Å; F93-Y472 HydrophobicContact CD1-CD1 3.77Å; F93-Y472 HydrophobicContact CD1-CD2 4.35Å; F93-Y472 AromaticContact CD1-CE1 3.61Å; F93-Y472 HydrophobicContact CD1-CE1 3.61Å; F93-Y472 HydrophobicContact CD1-CE2 4.21Å; F93-Y472 HydrophobicContact CD1-CG 4.14Å; F93-Y472 AromaticContact CD1-CZ 3.85Å; F93-Y472 HydrophobicContact CE1-CD1 4.28Å; F93-Y472 HydrophobicContact CE1-CD2 4.2Å; F93-Y472 HydrophobicContact CE1-CE1 4.39Å; F93-Y472 HydrophobicContact CE1-CE2 4.32Å; F93-Y472 HydrophobicContact CE1-CG 4.19Å; P118-Y472 HydrophobicContact CB-CD1 4.3Å; P118-Y472 HydrophobicContact CB-CD2 4.35Å; P118-Y472 HydrophobicContact CB-CE1 3.93Å; P118-Y472 HydrophobicContact CB-CE2 3.98Å; P118-Y472 HydrophobicContact CB-CG 4.5Å; P118-Y472 HydrophobicContact CG-CE1 3.85Å; P118-Y472 PolarHBondContact O-OH 3.42Å; L120-Y472 HydrophobicContact CD2-CD2 4.38Å; L120-Y472 HydrophobicContact CD2-CE2 4.17Å; F469-Y472 HydrophobicContact CB-CD2 4.2Å; F469-Y472 CarbonylContact O-C 3.55Å; F469-Y472 WeakPolarHBondContact O-CA 3.35Å; F469-Y472 PolarHBondContact O-N 3.34Å; W470-Y472 VanDerWaalsContact C-N 3.26Å; W470-Y472 PolarHBondContact O-N 3.02Å; Y472-Y474 AromaticContact CD1-CE1 3.9Å; Y472-Y474 HydrophobicContact CD1-CE1 3.9Å; Y472-Y474 PolarHBondContact O-N 3.47Å; Y472-Y474 VanDerWaalsContact O-N 3.14Å; Y472-S475 PolarHBondContact O-N 3.03Å; Y472-S475 VanDerWaalsContact O-N 3.15Å; Y472-S475 PolarHBondContact O-OG 2.95Å
473D95.8Very high94.9Very high4 Ų424.2 Ų24.22%0.02111%0.112CC..G310 helixtrans-57.1-32.3177.9-167.366.8000113.1L130 R134 H457 V468 F469 S475 L476L130-D473 HydrophobicContact CD1-CB 3.69Å; L130-D473 HydrophobicContact CG-CB 3.68Å; L130-D473 VanDerWaalsContact CG-CG 3.46Å; R134-D473 IonicContact CZ-OD1 2.77Å; R134-D473 IonicContact CZ-OD2 3.48Å; R134-D473 IonicContact NE-OD1 3.72Å; R134-D473 PolarHBondContact NE-OD1 3.48Å; R134-D473 IonicContact NE-OD2 3.05Å; R134-D473 PolarHBondContact NE-OD2 3.06Å; R134-D473 IonicContact NH2-OD1 3.38Å; R134-D473 PolarHBondContact NH2-OD1 2.89Å; R134-D473 IonicContact NH2-OD2 3.5Å; H457-D473 VanDerWaalsContact CE1-CG 3.5Å; H457-D473 PolarHBondContact CE1-O 3.26Å; H457-D473 IonicContact CE1-OD1 3.1Å; H457-D473 PolarHBondContact CE1-OD1 3.36Å; H457-D473 VanDerWaalsContact CE1-OD1 3.29Å; H457-D473 IonicContact CE1-OD2 3.42Å; H457-D473 PolarHBondContact CE1-OD2 3.44Å; H457-D473 VanDerWaalsContact CE1-OD2 3.28Å; H457-D473 IonicContact ND1-OD2 3.39Å; H457-D473 IonicContact NE2-OD1 2.75Å; H457-D473 PolarHBondContact NE2-OD1 2.79Å; V468-D473 HydrophobicContact CG1-CB 4.32Å; F469-D473 PolarHBondContact O-N 3.25Å; D473-S475 PolarHBondContact O-N 3.2Å; D473-S475 VanDerWaalsContact O-N 3.16Å; D473-L476 WeakPolarHBondContact O-CB 3.35Å; D473-L476 PolarHBondContact O-N 2.97Å
474Y95.1Very high95.1Very high13 Ų1322.9 Ų22.95%0.05111%0.105CC..G310 helixtrans-60.2-26-179.773.9-90000113.7V95 R97 P118 A471 Y472 L476 R477V95-Y474 HydrophobicContact CB-CE2 4.11Å; V95-Y474 HydrophobicContact CG1-CD2 4.19Å; V95-Y474 HydrophobicContact CG1-CE2 3.98Å; V95-Y474 VanDerWaalsContact O-CE2 3.28Å; V95-Y474 WeakPolarHBondContact O-CE2 3.15Å; V95-Y474 PolarHBondContact O-OH 3.43Å; R97-Y474 HydrophobicContact CB-CD1 4.38Å; R97-Y474 HydrophobicContact CB-CD2 4.04Å; R97-Y474 HydrophobicContact CB-CE1 4.09Å; R97-Y474 HydrophobicContact CB-CE2 3.74Å; R97-Y474 HydrophobicContact CB-CG 4.36Å; R97-Y474 HydrophobicContact CG-CD1 3.83Å; R97-Y474 HydrophobicContact CG-CD2 4.07Å; R97-Y474 HydrophobicContact CG-CE1 3.95Å; R97-Y474 HydrophobicContact CG-CE2 4.19Å; R97-Y474 HydrophobicContact CG-CG 3.9Å; P118-Y474 HydrophobicContact CB-CE1 4.4Å; P118-Y474 HydrophobicContact CG-CE1 4.39Å; A471-Y474 WeakPolarHBondContact O-CD1 3.07Å; A471-Y474 VanDerWaalsContact O-CE1 3.32Å; A471-Y474 WeakPolarHBondContact O-CE1 3.27Å; Y472-Y474 AromaticContact CD1-CE1 3.9Å; Y472-Y474 HydrophobicContact CD1-CE1 3.9Å; Y472-Y474 PolarHBondContact O-N 3.47Å; Y472-Y474 VanDerWaalsContact O-N 3.14Å; Y474-L476 VanDerWaalsContact C-N 3.28Å; Y474-L476 PolarHBondContact O-N 3.02Å; Y474-R477 WeakPolarHBondContact O-CB 3.29Å; Y474-R477 PolarHBondContact O-N 3.38Å
475S95.4Very high95.3Very high3 Ų315.7 Ų15.72%0.0218%0.076CC..G310 helixtrans-75.7-19.5179.167.50000112.5A92 P384 Y472 D473 R477A92-S475 WeakPolarHBondContact O-CB 3.3Å; P384-S475 WeakPolarHBondContact CG-OG 3.49Å; Y472-S475 PolarHBondContact O-N 3.03Å; Y472-S475 VanDerWaalsContact O-N 3.15Å; Y472-S475 PolarHBondContact O-OG 2.95Å; D473-S475 PolarHBondContact O-N 3.2Å; D473-S475 VanDerWaalsContact O-N 3.16Å; S475-R477 PolarHBondContact O-N 3.23Å
476L96.6Very high95.5Very high0 Ų014.4 Ų14.40%07%0.069CC..G310 helixtrans-85.64.8175.6-53.6-177.7000112.7L383 P384 P409 L458 V468 D473 Y474L383-L476 HydrophobicContact CB-CD1 3.89Å; L383-L476 HydrophobicContact CB-CD2 4.27Å; P384-L476 HydrophobicContact CG-CD2 4.09Å; P384-L476 HydrophobicContact CG-CG 4.49Å; P409-L476 HydrophobicContact CG-CD2 3.4Å; L458-L476 WeakPolarHBondContact CB-O 3.23Å; L458-L476 WeakPolarHBondContact CG-O 3.3Å; L458-L476 PolarHBondContact N-O 2.85Å; V468-L476 HydrophobicContact CB-CD1 4.37Å; V468-L476 HydrophobicContact CG1-CD1 3.69Å; V468-L476 HydrophobicContact CG2-CD1 3.68Å; D473-L476 WeakPolarHBondContact O-CB 3.35Å; D473-L476 PolarHBondContact O-N 2.97Å; Y474-L476 VanDerWaalsContact C-N 3.28Å; Y474-L476 PolarHBondContact O-N 3.02Å
477R95.8Very high95.7Very high24 Ų2414.6 Ų14.69%0.0917%0.069CC..BIsolated β-bridgetrans-73.3137.6-179-167178.5-61.9169.6-0.4111.2E133 R411 Y474 S475E133-R477 IonicContact OE2-NH2 3.29Å; E133-R477 PolarHBondContact OE2-NH2 3.14Å; R411-R477 PolarHBondContact NH2-O 2.93Å; Y474-R477 WeakPolarHBondContact O-CB 3.29Å; Y474-R477 PolarHBondContact O-N 3.38Å; S475-R477 PolarHBondContact O-N 3.23Å
478V95.7Very high95.7Very high1 Ų112.4 Ų12.41%0.0066%0.055CC..  trans-11246.8174.1-1670000108.6V452 L453 G456 L458 P480 P482 I485V452-V478 HydrophobicContact CG1-CG2 4.21Å; L453-V478 HydrophobicContact CD2-CG1 4.2Å; G456-V478 PolarHBondContact O-N 2.89Å; L458-V478 HydrophobicContact CB-CG2 4.37Å; L458-V478 HydrophobicContact CD2-CG2 3.47Å; L458-V478 VanDerWaalsContact CD2-CG2 3.47Å; L458-V478 HydrophobicContact CG-CG2 3.5Å; L458-V478 VanDerWaalsContact CG-CG2 3.5Å; V478-P480 CarbonylContact C-O 3.51Å; V478-P482 HydrophobicContact CG1-CG 4.16Å; V478-I485 HydrophobicContact CG1-CD1 3.41Å; V478-I485 VanDerWaalsContact CG1-CD1 3.41Å; V478-I485 HydrophobicContact CG1-CG1 4.47Å
479Y94.1Very high95.6Very high11 Ų1112.2 Ų12.24%0.0435%0.054CC..  trans-147119.6179.5-179.3-106000109F107 I137 Q140 R141 E250 T255 Y259F107-Y479 AromaticContact CE2-CE1 3.88Å; F107-Y479 HydrophobicContact CE2-CE1 3.88Å; F107-Y479 HydrophobicContact CZ-CD1 4.33Å; F107-Y479 AromaticContact CZ-CE1 3.88Å; F107-Y479 HydrophobicContact CZ-CE1 3.88Å; I137-Y479 HydrophobicContact CG2-CD1 3.63Å; I137-Y479 HydrophobicContact CG2-CE1 4.07Å; I137-Y479 HydrophobicContact CG2-CG 4.1Å; Q140-Y479 PolarHBondContact NE2-OH 2.97Å; Q140-Y479 VanDerWaalsContact NE2-OH 3.11Å; R141-Y479 HydrophobicContact CG-CE2 4.36Å; E250-Y479 HydrophobicContact CB-CE2 4.46Å; E250-Y479 VanDerWaalsContact OE1-CE2 3.26Å; E250-Y479 WeakPolarHBondContact OE1-CE2 3.46Å; E250-Y479 PolarHBondContact OE1-OH 3.39Å; T255-Y479 HydrophobicContact CG2-CE1 4.44Å; T255-Y479 HydrophobicContact CG2-CE2 3.94Å; Y259-Y479 HydrophobicContact CE2-CE1 4.38Å; Y259-Y479 WeakPolarHBondContact CE2-OH 3.31Å
480P94.5Very high95.4Very high23 Ų2314.4 Ų14.415%0.1496%0.063CC..SBendcis-58.2160.8-1.3-18.729.5000114T255 F264 V478T255-P480 HydrophobicContact CG2-CB 3.95Å; T255-P480 HydrophobicContact CG2-CG 3.79Å; F264-P480 VanDerWaalsContact CB-CD 3.46Å; F264-P480 HydrophobicContact CB-CG 4.06Å; F264-P480 HydrophobicContact CD2-CG 3.49Å; F264-P480 VanDerWaalsContact CD2-CG 3.49Å; F264-P480 HydrophobicContact CE2-CG 4.18Å; F264-P480 HydrophobicContact CG-CG 3.97Å; V478-P480 CarbonylContact C-O 3.51Å
481V95.3Very high95.3Very high2 Ų213.3 Ų13.31%0.0126%0.059CC..PPolyproline II helixtrans-69.4124.4179.1175.70000109.6T249 E250 S252 L453 C501T249-V481 HydrophobicContact CG2-CG2 4.05Å; E250-V481 VanDerWaalsContact O-CG2 3.31Å; E250-V481 WeakPolarHBondContact O-CG2 3.37Å; S252-V481 VanDerWaalsContact CB-O 3.3Å; S252-V481 WeakPolarHBondContact CB-O 3.5Å; L453-V481 HydrophobicContact CD2-CG1 4.19Å; V481-C501 HydrophobicContact CG1-CB 3.49Å; V481-C501 VanDerWaalsContact CG1-CB 3.49Å
482P95.6Very high95.3Very high2 Ų218.5 Ų18.51%0.0139%0.087CC..PPolyproline II helixtrans-73.3172.4178.233.4-37.9000111.5E418 I420 V478 I485 C501E418-P482 HydrophobicContact CB-CB 4.1Å; E418-P482 WeakPolarHBondContact O-CB 3.4Å; I420-P482 HydrophobicContact CD1-CB 4.15Å; I420-P482 HydrophobicContact CD1-CG 3.82Å; I420-P482 HydrophobicContact CG1-CB 4.01Å; I420-P482 HydrophobicContact CG1-CG 3.99Å; V478-P482 HydrophobicContact CG1-CG 4.16Å; P482-I485 HydrophobicContact CG-CD1 3.78Å; P482-I485 HydrophobicContact CG-CG1 3.39Å; P482-C501 WeakPolarHBondContact O-CB 3.47Å; P482-C501 PolarHBondContact O-SG 2.58Å; P482-C501 VanDerWaalsContact O-SG 3.37Å
483D95.9Very high95.2Very high9 Ų919.4 Ų19.45%0.04810%0.097CC..SBendtrans-76.5-36.6173.6-57.1-81.6000111.2K274 Q417 E418 L502 R524K274-D483 WeakPolarHBondContact CE-OD2 3.32Å; K274-D483 IonicContact NZ-OD1 2.86Å; K274-D483 PolarHBondContact NZ-OD1 2.76Å; K274-D483 IonicContact NZ-OD2 3.01Å; K274-D483 PolarHBondContact NZ-OD2 2.97Å; Q417-D483 WeakPolarHBondContact CA-OD2 3.3Å; Q417-D483 HydrophobicContact CB-CB 4.49Å; E418-D483 PolarHBondContact N-OD2 3.07Å; E418-D483 PolarHBondContact O-N 3.49Å; D483-L502 PolarHBondContact O-N 2.97Å; D483-R524 IonicContact OD1-CZ 3.49Å; D483-R524 IonicContact OD1-NH1 3.88Å; D483-R524 PolarHBondContact OD1-NH1 3.12Å; D483-R524 IonicContact OD1-NH2 3.43Å; D483-R524 PolarHBondContact OD1-NH2 3.13Å
484V97.4Very high95.2Very high1 Ų120.1 Ų20.11%0.00610%0.1CC..EExtended strand (participates in β ladder)trans-135.6137.5-178.5-171.90000111.3E418 I419 I420 V486 L502 L504 Y519E418-V484 PolarHBondContact O-N 3.42Å; E418-V484 VanDerWaalsContact O-N 3.16Å; I419-V484 WeakPolarHBondContact CA-O 3.48Å; I419-V484 HydrophobicContact CB-CB 4.45Å; I419-V484 HydrophobicContact CG1-CB 4.14Å; I419-V484 HydrophobicContact CG1-CG2 4.35Å; I419-V484 HydrophobicContact CG2-CB 4.16Å; I419-V484 HydrophobicContact CG2-CG1 4.36Å; I420-V484 PolarHBondContact N-O 2.77Å; V484-V486 HydrophobicContact CG1-CG2 4.21Å; V484-L502 CarbonylContact C-O 3.59Å; V484-L502 VanDerWaalsContact CA-O 3.25Å; V484-L502 WeakPolarHBondContact CA-O 3.41Å; V484-L502 WeakPolarHBondContact CG1-O 3.37Å; V484-L502 HydrophobicContact CG2-CB 4.33Å; V484-L502 HydrophobicContact CG2-CD2 4.42Å; V484-L504 HydrophobicContact CG1-CD2 3.77Å; V484-Y519 HydrophobicContact CG2-CE1 3.8Å; V484-Y519 HydrophobicContact CG2-CE2 3.87Å; V484-Y519 VanDerWaalsContact CG2-CZ 3.42Å; V484-Y519 WeakPolarHBondContact CG2-OH 3.42Å
485I97.8Very high95.2Very high0 Ų022 Ų220%012%0.115CC..EExtended strand (participates in β ladder)trans-123.7122.8167.4-52.6169.9000109.2I420 L453 L458 V478 P482 F487 L502 C503 L504I420-I485 HydrophobicContact CB-CG1 4.5Å; I420-I485 HydrophobicContact CB-CG2 4.48Å; I420-I485 CarbonylContact O-C 3.53Å; I420-I485 WeakPolarHBondContact O-CA 3.27Å; L453-I485 HydrophobicContact CD2-CD1 3.77Å; L458-I485 HydrophobicContact CD2-CG2 4.35Å; V478-I485 HydrophobicContact CG1-CD1 3.41Å; V478-I485 VanDerWaalsContact CG1-CD1 3.41Å; V478-I485 HydrophobicContact CG1-CG1 4.47Å; P482-I485 HydrophobicContact CG-CD1 3.78Å; P482-I485 HydrophobicContact CG-CG1 3.39Å; I485-F487 HydrophobicContact CB-CD2 4.46Å; I485-F487 HydrophobicContact CB-CE2 3.86Å; I485-F487 HydrophobicContact CB-CZ 4.08Å; I485-F487 HydrophobicContact CD1-CZ 4.31Å; I485-F487 HydrophobicContact CG2-CD1 4.15Å; I485-F487 HydrophobicContact CG2-CD2 3.96Å; I485-F487 HydrophobicContact CG2-CE1 3.69Å; I485-F487 HydrophobicContact CG2-CE2 3.48Å; I485-F487 VanDerWaalsContact CG2-CE2 3.48Å; I485-F487 HydrophobicContact CG2-CG 4.28Å; I485-F487 HydrophobicContact CG2-CZ 3.34Å; I485-L502 PolarHBondContact N-O 2.74Å; I485-C503 CarbonylContact O-C 3.58Å; I485-C503 WeakPolarHBondContact O-CA 3.14Å; I485-L504 PolarHBondContact O-N 3.02Å
486V97.8Very high95.2Very high0 Ų022.9 Ų22.90%012%0.119CC..EExtended strand (participates in β ladder)trans-100103.6175.8-178.10000108.2I293 I419 I420 I421 M422 V484 A488 L504I293-V486 HydrophobicContact CD1-CG1 4.44Å; I293-V486 HydrophobicContact CD1-CG2 3.82Å; I293-V486 HydrophobicContact CG2-CG1 3.64Å; I419-V486 HydrophobicContact CG2-CG2 4.32Å; I420-V486 PolarHBondContact O-N 3.47Å; I421-V486 HydrophobicContact CB-CB 4.35Å; I421-V486 HydrophobicContact CG1-CB 4.08Å; I421-V486 HydrophobicContact CG1-CG2 4.13Å; I421-V486 HydrophobicContact CG2-CB 4.18Å; I421-V486 HydrophobicContact CG2-CG1 4.21Å; M422-V486 PolarHBondContact N-O 3.14Å; V484-V486 HydrophobicContact CG1-CG2 4.21Å; V486-A488 PolarHBondContact O-N 2.9Å; V486-L504 CarbonylContact C-O 3.58Å; V486-L504 WeakPolarHBondContact CA-O 3.29Å; V486-L504 HydrophobicContact CB-CD1 4.26Å; V486-L504 HydrophobicContact CG1-CD1 3.86Å; V486-L504 HydrophobicContact CG2-CD1 3.95Å; V486-L504 HydrophobicContact CG2-CD2 4.31Å; V486-L504 HydrophobicContact CG2-CG 4.09Å
487F96.6Very high95.1Very high6 Ų627.2 Ų27.23%0.02615%0.149CC..EExtended strand (participates in β ladder)trans-89.987.3169.9-60.1-76.6000108.1F448 V452 L458 I485 D489 C503 L504 N505F448-F487 HydrophobicContact CE1-CB 4.27Å; F448-F487 AromaticContact CE1-CD1 3.88Å; F448-F487 HydrophobicContact CE1-CD1 3.88Å; F448-F487 AromaticContact CE1-CD2 3.75Å; F448-F487 HydrophobicContact CE1-CD2 3.75Å; F448-F487 HydrophobicContact CE1-CE1 4.08Å; F448-F487 AromaticContact CE1-CE2 3.95Å; F448-F487 HydrophobicContact CE1-CE2 3.95Å; F448-F487 AromaticContact CE1-CG 3.69Å; F448-F487 HydrophobicContact CE1-CG 3.69Å; F448-F487 HydrophobicContact CE1-CZ 4.1Å; F448-F487 AromaticContact CZ-CD1 3.66Å; F448-F487 HydrophobicContact CZ-CD1 3.66Å; F448-F487 HydrophobicContact CZ-CD2 4.38Å; F448-F487 AromaticContact CZ-CE1 3.8Å; F448-F487 HydrophobicContact CZ-CE1 3.8Å; F448-F487 HydrophobicContact CZ-CE2 4.49Å; F448-F487 AromaticContact CZ-CG 3.96Å; F448-F487 HydrophobicContact CZ-CG 3.96Å; F448-F487 HydrophobicContact CZ-CZ 4.21Å; V452-F487 HydrophobicContact CB-CZ 4.15Å; V452-F487 HydrophobicContact CG1-CE1 4.06Å; V452-F487 HydrophobicContact CG1-CZ 3.77Å; V452-F487 HydrophobicContact CG2-CE1 4.27Å; V452-F487 HydrophobicContact CG2-CZ 4.22Å; L458-F487 HydrophobicContact CD2-CE1 4.07Å; I485-F487 HydrophobicContact CB-CD2 4.46Å; I485-F487 HydrophobicContact CB-CE2 3.86Å; I485-F487 HydrophobicContact CB-CZ 4.08Å; I485-F487 HydrophobicContact CD1-CZ 4.31Å; I485-F487 HydrophobicContact CG2-CD1 4.15Å; I485-F487 HydrophobicContact CG2-CD2 3.96Å; I485-F487 HydrophobicContact CG2-CE1 3.69Å; I485-F487 HydrophobicContact CG2-CE2 3.48Å; I485-F487 VanDerWaalsContact CG2-CE2 3.48Å; I485-F487 HydrophobicContact CG2-CG 4.28Å; I485-F487 HydrophobicContact CG2-CZ 3.34Å; F487-D489 VanDerWaalsContact C-N 3.28Å; F487-D489 PolarHBondContact O-N 2.94Å; F487-C503 HydrophobicContact CD2-CB 4.32Å; F487-C503 HydrophobicContact CE2-CB 3.91Å; F487-L504 PolarHBondContact N-O 2.97Å; F487-N505 VanDerWaalsContact O-CA 3.25Å; F487-N505 WeakPolarHBondContact O-CA 3.37Å; F487-N505 VanDerWaalsContact O-CB 3.24Å; F487-N505 WeakPolarHBondContact O-CB 3.39Å; F487-N505 PolarHBondContact O-OD1 3.47Å
488A95.6Very high94.9Very high0 Ų027.3 Ų27.30%015%0.154CC..EExtended strand (participates in β ladder)trans-68.790.9170.700000108.4S295 C326 M422 R423 E424 V486S295-A488 WeakPolarHBondContact OG-CB 3.45Å; C326-A488 HydrophobicContact CB-CB 3.75Å; M422-A488 PolarHBondContact O-N 3.43Å; R423-A488 WeakPolarHBondContact CA-O 3.31Å; R423-A488 HydrophobicContact CB-CB 3.99Å; R423-A488 WeakPolarHBondContact CD-O 3.33Å; R423-A488 HydrophobicContact CG-CB 4.47Å; R423-A488 PolarHBondContact NH1-O 2.78Å; E424-A488 PolarHBondContact N-O 2.95Å; V486-A488 PolarHBondContact O-N 2.9Å
489D93.4Very high94.5Very high1 Ų129.8 Ų29.81%0.00517%0.169CC..  trans-116.6154.2-179.8-161.2-43.1000108.7D425 L426 V427 F487 Y491 N505 G507D425-D489 WeakPolarHBondContact CA-OD1 3Å; L426-D489 PolarHBondContact N-OD2 2.86Å; V427-D489 WeakPolarHBondContact CG2-OD2 3.48Å; V427-D489 PolarHBondContact N-OD2 3.1Å; F487-D489 VanDerWaalsContact C-N 3.28Å; F487-D489 PolarHBondContact O-N 2.94Å; D489-Y491 PolarHBondContact O-N 2.84Å; D489-Y491 PolarHBondContact OD1-N 2.95Å; D489-N505 PolarHBondContact N-OD1 3.33Å; D489-N505 PolarHBondContact O-OD1 3.31Å; D489-N505 VanDerWaalsContact O-OD1 3.11Å; D489-G507 CarbonylContact O-C 3.49Å; D489-G507 WeakPolarHBondContact O-CA 3.5Å
490K91.6Very high94.2Very high80 Ų8034.3 Ų34.335%0.34819%0.194SC..SBendtrans-75.3-9.8170.269.6-175.5173.3-155.80113.4D425D425-K490 HydrophobicContact CB-CD 4.29Å; D425-K490 HydrophobicContact CB-CG 4.32Å; D425-K490 VanDerWaalsContact CG-CD 3.48Å; D425-K490 WeakPolarHBondContact OD1-CG 3.49Å; D425-K490 VanDerWaalsContact OD2-CD 3.27Å; D425-K490 WeakPolarHBondContact OD2-CD 3.43Å; D425-K490 WeakPolarHBondContact OD2-CE 3.42Å; D425-K490 IonicContact OD2-NZ 2.82Å; D425-K490 PolarHBondContact OD2-NZ 3.39Å
491Y93.6Very high94.2Very high62 Ų6233.2 Ų33.224%0.24319%0.187CC..SBendtrans-60.1165.3171.1-160.9-99.1000111.5V427 P445 D489 N505V427-Y491 HydrophobicContact CB-CD2 4.24Å; V427-Y491 HydrophobicContact CB-CG 4.12Å; V427-Y491 HydrophobicContact CG1-CD1 4.22Å; V427-Y491 HydrophobicContact CG1-CD2 3.69Å; V427-Y491 HydrophobicContact CG1-CE1 4.42Å; V427-Y491 HydrophobicContact CG1-CE2 3.92Å; V427-Y491 HydrophobicContact CG1-CG 3.85Å; V427-Y491 HydrophobicContact CG2-CG 4.38Å; P445-Y491 HydrophobicContact CG-CD1 4.44Å; P445-Y491 HydrophobicContact CG-CE1 3.88Å; D489-Y491 PolarHBondContact O-N 2.84Å; D489-Y491 PolarHBondContact OD1-N 2.95Å; Y491-N505 PolarHBondContact O-ND2 3.17Å
492D92.4Very high94.3Very high113 Ų11334.4 Ų34.460%0.60419%0.193SC*.PPolyproline II helixtrans-56142.3179.2-66.3-37000111.6F494 N505D492-F494 WeakPolarHBondContact O-CD1 3.43Å; D492-N505 PolarHBondContact O-ND2 3.18Å
493P94Very high94.3Very high53 Ų5334.3 Ų34.334%0.34419%0.192SC..PPolyproline II helixtrans-64.7142-17826.2-33.8000111.4N505P493-N505 CarbonylContact C-O 3.32Å; P493-N505 WeakPolarHBondContact CA-O 3.26Å; P493-N505 WeakPolarHBondContact CB-O 3.43Å
494F95.2Very high94.4Very high19 Ų1933.9 Ų33.98%0.08319%0.19CC..EExtended strand (participates in β ladder)trans-149.1158.1177.561.7-100.5000111.6P445 F448 V449 D492 I496 L504 N505 K517P445-F494 HydrophobicContact CB-CB 4.15Å; P445-F494 HydrophobicContact CB-CD1 3.63Å; P445-F494 HydrophobicContact CB-CD2 4.04Å; P445-F494 HydrophobicContact CB-CE1 3.97Å; P445-F494 HydrophobicContact CB-CE2 4.36Å; P445-F494 HydrophobicContact CB-CG 3.68Å; P445-F494 HydrophobicContact CB-CZ 4.33Å; P445-F494 HydrophobicContact CG-CB 4.39Å; P445-F494 HydrophobicContact CG-CD1 3.79Å; P445-F494 HydrophobicContact CG-CE1 4.31Å; P445-F494 HydrophobicContact CG-CG 4.16Å; F448-F494 AromaticContact CD1-CZ 4Å; F448-F494 HydrophobicContact CD1-CZ 4Å; F448-F494 HydrophobicContact CE1-CZ 4.1Å; V449-F494 HydrophobicContact CG2-CE2 4.07Å; D492-F494 WeakPolarHBondContact O-CD1 3.43Å; F494-I496 HydrophobicContact CD2-CD1 3.95Å; F494-I496 HydrophobicContact CD2-CG1 4.24Å; F494-I496 HydrophobicContact CG-CD1 4.45Å; F494-L504 CarbonylContact O-C 3.46Å; F494-L504 WeakPolarHBondContact O-CA 3.47Å; F494-N505 HydrophobicContact CD1-CB 3.61Å; F494-N505 HydrophobicContact CD2-CB 4.28Å; F494-N505 HydrophobicContact CE1-CB 3.37Å; F494-N505 HydrophobicContact CE2-CB 4.07Å; F494-N505 HydrophobicContact CG-CB 4.06Å; F494-N505 HydrophobicContact CZ-CB 3.61Å; F494-N505 PolarHBondContact N-O 3.23Å; F494-N505 VanDerWaalsContact N-O 3.11Å; F494-N505 PolarHBondContact O-N 2.78Å; F494-K517 VanDerWaalsContact O-CE 3.24Å; F494-K517 WeakPolarHBondContact O-CE 3.48Å
495S95.5Very high94.3Very high52 Ų5233.9 Ų33.936%0.36419%0.19SC..EExtended strand (participates in β ladder)trans-135.2117.5170.4-66.30000108.4K517S495-K517 PolarHBondContact OG-NZ 3.37Å
496I95.3Very high94.2Very high21 Ų2133.9 Ų33.911%0.10819%0.19CC..EExtended strand (participates in β ladder)trans-136128.6-175.8-65.1166.8000108.9P445 N446 V449 F494 C503P445-I496 HydrophobicContact CB-CD1 3.53Å; N446-I496 HydrophobicContact CB-CD1 4.29Å; N446-I496 WeakPolarHBondContact OD1-CG2 3.46Å; V449-I496 HydrophobicContact CG1-CG2 4.35Å; V449-I496 HydrophobicContact CG2-CB 4.37Å; V449-I496 HydrophobicContact CG2-CD1 4.41Å; F494-I496 HydrophobicContact CD2-CD1 3.95Å; F494-I496 HydrophobicContact CD2-CG1 4.24Å; F494-I496 HydrophobicContact CG-CD1 4.45Å; I496-C503 PolarHBondContact N-O 3.14Å; I496-C503 PolarHBondContact O-N 2.95Å
497S93.8Very high94Very high91 Ų9133.9 Ų33.964%0.63619%0.19SC*.EExtended strand (participates in β ladder)trans-97.7130.4171.3-174.40000110.4C501S497-C501 WeakPolarHBondContact CA-O 3.43Å
498S91.6Very high93.9Very high27 Ų2733.7 Ų33.719%0.18919%0.189CC..EExtended strand (participates in β ladder)trans-148.1132.2175.9-171.90000110.8L453 D500 C501L453-S498 WeakPolarHBondContact CD1-O 3.21Å; S498-D500 VanDerWaalsContact C-N 3.32Å; S498-D500 PolarHBondContact O-N 3.08Å; S498-C501 PolarHBondContact N-O 3.41Å; S498-C501 WeakPolarHBondContact O-CB 3.3Å; S498-C501 PolarHBondContact O-N 3.28Å
499T87.7Confident93.8Very high52 Ų5233.7 Ų33.732%0.31919%0.189SC..THydrogen-bonded Turntrans49.850177.7-38.20000112.8T249 C501T249-T499 HydrophobicContact CG2-CG2 3.81Å; T499-C501 PolarHBondContact O-N 2.84Å; T499-C501 VanDerWaalsContact O-N 3.12Å
500D87.1Confident93.7Very high107 Ų10735 Ų3557%0.57220%0.198SC*.THydrogen-bonded Turntrans60.616.4-178.4-49.8-39.2000115.3S498S498-D500 VanDerWaalsContact C-N 3.32Å; S498-D500 PolarHBondContact O-N 3.08Å
501C95.3Very high93.6Very high0 Ų037.8 Ų37.80%021%0.206CC..EExtended strand (participates in β ladder)trans-116.5127.8175.4-175.80000110.9L453 V481 P482 S497 S498 T499L453-C501 HydrophobicContact CD1-CB 4.35Å; L453-C501 HydrophobicContact CD2-CB 4.28Å; V481-C501 HydrophobicContact CG1-CB 3.49Å; V481-C501 VanDerWaalsContact CG1-CB 3.49Å; P482-C501 WeakPolarHBondContact O-CB 3.47Å; P482-C501 PolarHBondContact O-SG 2.58Å; P482-C501 VanDerWaalsContact O-SG 3.37Å; S497-C501 WeakPolarHBondContact CA-O 3.43Å; S498-C501 PolarHBondContact N-O 3.41Å; S498-C501 WeakPolarHBondContact O-CB 3.3Å; S498-C501 PolarHBondContact O-N 3.28Å; T499-C501 PolarHBondContact O-N 2.84Å; T499-C501 VanDerWaalsContact O-N 3.12Å
502L96.9Very high93.3Very high27 Ų2736.1 Ų36.114%0.14120%0.204CC..EExtended strand (participates in β ladder)trans-88.6111.4174.1-18062.2000110D483 V484 I485 Y519 V526D483-L502 PolarHBondContact O-N 2.97Å; V484-L502 CarbonylContact C-O 3.59Å; V484-L502 VanDerWaalsContact CA-O 3.25Å; V484-L502 WeakPolarHBondContact CA-O 3.41Å; V484-L502 WeakPolarHBondContact CG1-O 3.37Å; V484-L502 HydrophobicContact CG2-CB 4.33Å; V484-L502 HydrophobicContact CG2-CD2 4.42Å; I485-L502 PolarHBondContact N-O 2.74Å; L502-Y519 HydrophobicContact CD2-CD2 3.9Å; L502-Y519 HydrophobicContact CD2-CE2 3.55Å; L502-V526 HydrophobicContact CD1-CG2 4.3Å; L502-V526 HydrophobicContact CD2-CG2 3.31Å; L502-V526 HydrophobicContact CG-CG2 4.12Å
503C96.9Very high93.1Very high0 Ų031.3 Ų31.30%018%0.181CC..EExtended strand (participates in β ladder)trans-102.3122.9177.1-65.20000109.7V449 I485 F487 I496V449-C503 HydrophobicContact CB-CB 4.36Å; V449-C503 HydrophobicContact CG1-CB 3.86Å; V449-C503 VanDerWaalsContact CG1-SG 3.56Å; V449-C503 HydrophobicContact CG2-CB 3.51Å; I485-C503 CarbonylContact O-C 3.58Å; I485-C503 WeakPolarHBondContact O-CA 3.14Å; F487-C503 HydrophobicContact CD2-CB 4.32Å; F487-C503 HydrophobicContact CE2-CB 3.91Å; I496-C503 PolarHBondContact N-O 3.14Å; I496-C503 PolarHBondContact O-N 2.95Å
504L96.3Very high93Very high0 Ų029.7 Ų29.70%017%0.168CC..EExtended strand (participates in β ladder)trans-131.7146.9-178.268.594.5000112I293 V484 I485 V486 F487 F494 K517 V526I293-L504 HydrophobicContact CD1-CD1 3.88Å; I293-L504 HydrophobicContact CD1-CD2 4.32Å; V484-L504 HydrophobicContact CG1-CD2 3.77Å; I485-L504 PolarHBondContact O-N 3.02Å; V486-L504 CarbonylContact C-O 3.58Å; V486-L504 WeakPolarHBondContact CA-O 3.29Å; V486-L504 HydrophobicContact CB-CD1 4.26Å; V486-L504 HydrophobicContact CG1-CD1 3.86Å; V486-L504 HydrophobicContact CG2-CD1 3.95Å; V486-L504 HydrophobicContact CG2-CD2 4.31Å; V486-L504 HydrophobicContact CG2-CG 4.09Å; F487-L504 PolarHBondContact N-O 2.97Å; F494-L504 CarbonylContact O-C 3.46Å; F494-L504 WeakPolarHBondContact O-CA 3.47Å; L504-K517 HydrophobicContact CB-CD 3.98Å; L504-K517 HydrophobicContact CD1-CB 4.34Å; L504-K517 HydrophobicContact CD1-CD 3.73Å; L504-K517 HydrophobicContact CG-CD 4.42Å; L504-V526 HydrophobicContact CD2-CG2 3.92Å
505N96.8Very high92.9Very high0 Ų029.7 Ų29.70%017%0.17CC..EExtended strand (participates in β ladder)trans-125.5115.9170.4173.126.2000108.9F487 D489 Y491 D492 P493 F494 G507 K517F487-N505 VanDerWaalsContact O-CA 3.25Å; F487-N505 WeakPolarHBondContact O-CA 3.37Å; F487-N505 VanDerWaalsContact O-CB 3.24Å; F487-N505 WeakPolarHBondContact O-CB 3.39Å; F487-N505 PolarHBondContact O-OD1 3.47Å; D489-N505 PolarHBondContact N-OD1 3.33Å; D489-N505 PolarHBondContact O-OD1 3.31Å; D489-N505 VanDerWaalsContact O-OD1 3.11Å; Y491-N505 PolarHBondContact O-ND2 3.17Å; D492-N505 PolarHBondContact O-ND2 3.18Å; P493-N505 CarbonylContact C-O 3.32Å; P493-N505 WeakPolarHBondContact CA-O 3.26Å; P493-N505 WeakPolarHBondContact CB-O 3.43Å; F494-N505 HydrophobicContact CD1-CB 3.61Å; F494-N505 HydrophobicContact CD2-CB 4.28Å; F494-N505 HydrophobicContact CE1-CB 3.37Å; F494-N505 HydrophobicContact CE2-CB 4.07Å; F494-N505 HydrophobicContact CG-CB 4.06Å; F494-N505 HydrophobicContact CZ-CB 3.61Å; F494-N505 PolarHBondContact N-O 3.23Å; F494-N505 VanDerWaalsContact N-O 3.11Å; F494-N505 PolarHBondContact O-N 2.78Å; N505-G507 PolarHBondContact O-N 3.02Å; N505-G507 PolarHBondContact OD1-N 3.02Å; N505-K517 WeakPolarHBondContact O-CE 3.31Å
506P95.2Very high92.9Very high0 Ų027.6 Ų27.60%015%0.154CC..  trans-69-15.2175.430.9-37.6000113.5I293 T515 K517I293-P506 HydrophobicContact CG2-CB 4.35Å; I293-P506 HydrophobicContact CG2-CG 4.03Å; P506-T515 PolarHBondContact O-OG1 3.14Å; P506-K517 HydrophobicContact CB-CB 4.48Å; P506-K517 HydrophobicContact CB-CG 4.4Å
507G94Very high93Very high0 Ų026.7 Ų26.70%015%0.15CC..  trans73.2176-17200000112.4S295 D489 N505 F509S295-G507 WeakPolarHBondContact CB-O 3.38Å; D489-G507 CarbonylContact O-C 3.49Å; D489-G507 WeakPolarHBondContact O-CA 3.5Å; N505-G507 PolarHBondContact O-N 3.02Å; N505-G507 PolarHBondContact OD1-N 3.02Å; G507-F509 PolarHBondContact O-N 3.25Å
508S94.1Very high93.1Very high3 Ų322.4 Ų22.42%0.02112%0.119CC..  trans-78114.4175.9-177.10000110D296 R511 S512D296-S508 VanDerWaalsContact CB-OG 3.31Å; D296-S508 WeakPolarHBondContact CB-OG 3.24Å; D296-S508 VanDerWaalsContact OD2-CB 3.26Å; D296-S508 WeakPolarHBondContact OD2-CB 3.31Å; D296-S508 PolarHBondContact OD2-OG 3.28Å; S508-R511 PolarHBondContact O-N 2.92Å; S508-R511 VanDerWaalsContact O-N 3.07Å; S508-R511 PolarHBondContact OG-NE 3.36Å; S508-S512 VanDerWaalsContact O-CB 3.24Å; S508-S512 WeakPolarHBondContact O-CB 2.97Å; S508-S512 PolarHBondContact O-N 2.99Å; S508-S512 PolarHBondContact O-OG 2.84Å
509F93.8Very high93.3Very high0 Ų021.2 Ų21.20%011%0.111CC..THydrogen-bonded Turntrans-50.4-53.6-175.5-173-117.8000113.5V294 S295 V304 K307 L308 G507 R511 S512 F514 T515 F516 L531V294-F509 HydrophobicContact CG1-CB 3.66Å; V294-F509 HydrophobicContact CG1-CD1 4.09Å; V294-F509 HydrophobicContact CG1-CD2 3.49Å; V294-F509 VanDerWaalsContact CG1-CD2 3.49Å; V294-F509 HydrophobicContact CG1-CE2 4.08Å; V294-F509 HydrophobicContact CG1-CG 3.5Å; V294-F509 VanDerWaalsContact CG1-CG 3.5Å; S295-F509 WeakPolarHBondContact O-CB 3.38Å; S295-F509 PolarHBondContact O-N 2.98Å; V304-F509 HydrophobicContact CG1-CD1 4.11Å; V304-F509 HydrophobicContact CG1-CE1 4.16Å; K307-F509 HydrophobicContact CB-CE1 4.14Å; K307-F509 HydrophobicContact CB-CZ 4.02Å; L308-F509 HydrophobicContact CD2-CE1 4.45Å; G507-F509 PolarHBondContact O-N 3.25Å; F509-R511 VanDerWaalsContact C-N 3.31Å; F509-R511 PolarHBondContact O-N 2.92Å; F509-S512 PolarHBondContact O-OG 2.77Å; F509-F514 AromaticContact CD1-CD1 3.83Å; F509-F514 HydrophobicContact CD1-CD1 3.83Å; F509-F514 HydrophobicContact CD2-CB 4.19Å; F509-F514 HydrophobicContact CE1-CB 4.39Å; F509-F514 AromaticContact CE1-CD1 3.62Å; F509-F514 HydrophobicContact CE1-CD1 3.62Å; F509-F514 HydrophobicContact CE1-CE1 4.46Å; F509-F514 HydrophobicContact CE1-CG 4.48Å; F509-F514 HydrophobicContact CE2-CB 3.73Å; F509-F514 HydrophobicContact CE2-CD1 4.43Å; F509-F514 WeakPolarHBondContact CE2-O 3.43Å; F509-F514 HydrophobicContact CG-CD1 4.34Å; F509-F514 HydrophobicContact CZ-CB 3.86Å; F509-F514 AromaticContact CZ-CD1 3.95Å; F509-F514 HydrophobicContact CZ-CD1 3.95Å; F509-F514 HydrophobicContact CZ-CG 4.38Å; F509-F514 WeakPolarHBondContact O-CA 3.21Å; F509-F514 PolarHBondContact O-N 3.16Å; F509-T515 WeakPolarHBondContact CD2-O 3.43Å; F509-F516 HydrophobicContact CE2-CB 4.49Å; F509-F516 HydrophobicContact CE2-CD1 4.12Å; F509-L531 HydrophobicContact CE2-CD1 4.49Å; F509-L531 HydrophobicContact CZ-CD1 4.22Å
510P91.8Very high93.7Very high29 Ų2921.1 Ų21.119%0.18811%0.105CC..THydrogen-bonded Turntrans-67.4-28.4179.624.6-33.7000113.7D296 W298 V304D296-P510 WeakPolarHBondContact O-CD 3.33Å; W298-P510 HydrophobicContact CD2-CB 4.38Å; W298-P510 HydrophobicContact CD2-CG 3.59Å; W298-P510 HydrophobicContact CE3-CB 3.77Å; W298-P510 HydrophobicContact CE3-CG 3.43Å; W298-P510 VanDerWaalsContact CE3-CG 3.43Å; W298-P510 HydrophobicContact CG-CG 4.23Å; W298-P510 HydrophobicContact CH2-CG 3.98Å; W298-P510 HydrophobicContact CZ2-CG 4.12Å; W298-P510 HydrophobicContact CZ3-CB 3.89Å; W298-P510 HydrophobicContact CZ3-CG 3.64Å; V304-P510 HydrophobicContact CG2-CB 4.09Å
511R89.6Confident94Very high138 Ų13816 Ų1652%0.5218%0.078SC..THydrogen-bonded Turntrans-91.9-21.3-173.7-64.4-178.5-97.7-158.2-6.3114.1D296 W298 S508 F509 G513D296-R511 IonicContact OD2-CZ 2.83Å; D296-R511 IonicContact OD2-NH2 3.48Å; D296-R511 PolarHBondContact OD2-NH2 2.93Å; W298-R511 HydrophobicContact CH2-CG 4.28Å; S508-R511 PolarHBondContact O-N 2.92Å; S508-R511 VanDerWaalsContact O-N 3.07Å; S508-R511 PolarHBondContact OG-NE 3.36Å; F509-R511 VanDerWaalsContact C-N 3.31Å; F509-R511 PolarHBondContact O-N 2.92Å; R511-G513 VanDerWaalsContact C-N 3.33Å
512S86.8Confident93.8Very high27 Ų2717.4 Ų17.419%0.1899%0.087CC..THydrogen-bonded Turntrans-89.94.4-178.255.40000113.7S508 F509 T515S508-S512 VanDerWaalsContact O-CB 3.24Å; S508-S512 WeakPolarHBondContact O-CB 2.97Å; S508-S512 PolarHBondContact O-N 2.99Å; S508-S512 PolarHBondContact O-OG 2.84Å; F509-S512 PolarHBondContact O-OG 2.77Å; S512-T515 WeakPolarHBondContact CB-OG1 3.38Å; S512-T515 WeakPolarHBondContact O-CG2 3.29Å; S512-T515 PolarHBondContact OG-N 2.95Å; S512-T515 PolarHBondContact OG-OG1 2.89Å
513G87.8Confident93.5Very high12 Ų1220.7 Ų20.712%0.12411%0.105CC..THydrogen-bonded Turntrans74.841.4-16900000111.8R511 T515 K530 Q532R511-G513 VanDerWaalsContact C-N 3.33Å; G513-T515 PolarHBondContact O-N 2.85Å; G513-K530 WeakPolarHBondContact O-CG 3.16Å; G513-Q532 WeakPolarHBondContact O-CB 3.41Å; G513-Q532 PolarHBondContact O-N 3.24Å
514F92.5Very high93.3Very high18 Ų1825.7 Ų25.78%0.07912%0.124CC..SBendtrans5945.8177.1-50.5-77.6000112.6E303 V304 K307 F509 L531E303-F514 HydrophobicContact CB-CE1 4.48Å; E303-F514 HydrophobicContact CB-CZ 3.93Å; V304-F514 HydrophobicContact CG2-CE1 4.04Å; K307-F514 HydrophobicContact CB-CD1 4.03Å; K307-F514 HydrophobicContact CB-CE1 4.44Å; K307-F514 HydrophobicContact CB-CG 4.3Å; K307-F514 HydrophobicContact CD-CD2 4.08Å; K307-F514 HydrophobicContact CD-CE2 4.43Å; K307-F514 HydrophobicContact CD-CG 4.16Å; K307-F514 HydrophobicContact CG-CB 4.38Å; K307-F514 HydrophobicContact CG-CD1 3.67Å; K307-F514 HydrophobicContact CG-CD2 3.98Å; K307-F514 HydrophobicContact CG-CE1 3.82Å; K307-F514 HydrophobicContact CG-CE2 4.14Å; K307-F514 HydrophobicContact CG-CG 3.74Å; K307-F514 HydrophobicContact CG-CZ 4.06Å; F509-F514 AromaticContact CD1-CD1 3.83Å; F509-F514 HydrophobicContact CD1-CD1 3.83Å; F509-F514 HydrophobicContact CD2-CB 4.19Å; F509-F514 HydrophobicContact CE1-CB 4.39Å; F509-F514 AromaticContact CE1-CD1 3.62Å; F509-F514 HydrophobicContact CE1-CD1 3.62Å; F509-F514 HydrophobicContact CE1-CE1 4.46Å; F509-F514 HydrophobicContact CE1-CG 4.48Å; F509-F514 HydrophobicContact CE2-CB 3.73Å; F509-F514 HydrophobicContact CE2-CD1 4.43Å; F509-F514 WeakPolarHBondContact CE2-O 3.43Å; F509-F514 HydrophobicContact CG-CD1 4.34Å; F509-F514 HydrophobicContact CZ-CB 3.86Å; F509-F514 AromaticContact CZ-CD1 3.95Å; F509-F514 HydrophobicContact CZ-CD1 3.95Å; F509-F514 HydrophobicContact CZ-CG 4.38Å; F509-F514 WeakPolarHBondContact O-CA 3.21Å; F509-F514 PolarHBondContact O-N 3.16Å; F514-L531 HydrophobicContact CB-CB 3.94Å; F514-L531 PolarHBondContact O-N 3.02Å; F514-L531 VanDerWaalsContact O-N 3.13Å
515T93.2Very high93.1Very high20 Ų2028.2 Ų28.212%0.12314%0.14CC..EExtended strand (participates in β ladder)trans-85139.8172.962.40000111.2P506 F509 S512 G513 S529 K530P506-T515 PolarHBondContact O-OG1 3.14Å; F509-T515 WeakPolarHBondContact CD2-O 3.43Å; S512-T515 WeakPolarHBondContact CB-OG1 3.38Å; S512-T515 WeakPolarHBondContact O-CG2 3.29Å; S512-T515 PolarHBondContact OG-N 2.95Å; S512-T515 PolarHBondContact OG-OG1 2.89Å; G513-T515 PolarHBondContact O-N 2.85Å; T515-S529 CarbonylContact C-O 3.45Å; T515-S529 VanDerWaalsContact CA-O 3.23Å; T515-S529 WeakPolarHBondContact CA-O 3.48Å; T515-K530 HydrophobicContact CG2-CB 4Å; T515-K530 HydrophobicContact CG2-CD 3.75Å; T515-K530 HydrophobicContact CG2-CG 3.67Å
516F95.2Very high93Very high7 Ų729.9 Ų29.93%0.03115%0.15CC..EExtended strand (participates in β ladder)trans-139.5161.4171.964.4-89.1000109.7V292 I293 V294 M311 Y315 F509 V518 S529 L531V292-F516 HydrophobicContact CG1-CD2 3.71Å; V292-F516 HydrophobicContact CG1-CE2 3.95Å; I293-F516 WeakPolarHBondContact O-CB 3.2Å; V294-F516 HydrophobicContact CG1-CB 4.46Å; V294-F516 HydrophobicContact CG2-CB 3.92Å; M311-F516 HydrophobicContact CG-CE1 4.36Å; M311-F516 HydrophobicContact CG-CZ 4.18Å; M311-F516 HydrophobicContact SD-CD1 4.43Å; M311-F516 HydrophobicContact SD-CE1 4.31Å; M311-F516 HydrophobicContact SD-CE2 4.49Å; M311-F516 HydrophobicContact SD-CZ 4.33Å; Y315-F516 HydrophobicContact CE2-CE2 4.02Å; Y315-F516 HydrophobicContact CE2-CZ 4.1Å; Y315-F516 WeakPolarHBondContact OH-CE2 2.86Å; F509-F516 HydrophobicContact CE2-CB 4.49Å; F509-F516 HydrophobicContact CE2-CD1 4.12Å; F516-V518 HydrophobicContact CD2-CG2 4.07Å; F516-V518 HydrophobicContact CE2-CG2 3.73Å; F516-S529 VanDerWaalsContact CE1-CB 3.45Å; F516-S529 PolarHBondContact N-O 2.97Å; F516-S529 PolarHBondContact O-N 3.21Å; F516-L531 HydrophobicContact CD1-CD1 4.42Å; F516-L531 HydrophobicContact CD1-CG 4.47Å; F516-L531 HydrophobicContact CE1-CD1 3.92Å; F516-L531 HydrophobicContact CE1-CD2 4.15Å; F516-L531 HydrophobicContact CE1-CG 3.88Å
517K96.3Very high93Very high3 Ų334.6 Ų34.61%0.01317%0.172CC..EExtended strand (participates in β ladder)trans-108.6143.5-180-75.7-175.5-178.2-75.50110.7I293 F494 S495 L504 N505 P506 V526 E527 D528I293-K517 PolarHBondContact N-O 3.25Å; I293-K517 PolarHBondContact O-N 3.07Å; I293-K517 VanDerWaalsContact O-N 3.1Å; F494-K517 VanDerWaalsContact O-CE 3.24Å; F494-K517 WeakPolarHBondContact O-CE 3.48Å; S495-K517 PolarHBondContact OG-NZ 3.37Å; L504-K517 HydrophobicContact CB-CD 3.98Å; L504-K517 HydrophobicContact CD1-CB 4.34Å; L504-K517 HydrophobicContact CD1-CD 3.73Å; L504-K517 HydrophobicContact CG-CD 4.42Å; N505-K517 WeakPolarHBondContact O-CE 3.31Å; P506-K517 HydrophobicContact CB-CB 4.48Å; P506-K517 HydrophobicContact CB-CG 4.4Å; K517-V526 HydrophobicContact CB-CG1 4.27Å; K517-V526 HydrophobicContact CD-CG1 4.05Å; K517-V526 HydrophobicContact CG-CG1 4.25Å; K517-E527 WeakPolarHBondContact CA-O 3.31Å; K517-D528 WeakPolarHBondContact CE-OD1 3.4Å; K517-D528 WeakPolarHBondContact CG-OD1 3.29Å; K517-D528 IonicContact NZ-OD1 2.71Å; K517-D528 PolarHBondContact NZ-OD1 2.73Å; K517-D528 IonicContact NZ-OD2 3.9Å
518V96.4Very high93Very high0 Ų039.9 Ų39.90%020%0.2CC..EExtended strand (participates in β ladder)trans-115.9125.5172.7-172.20000107.5M290 F291 V292 Y315 F516 Y520 V526 E527M290-V518 HydrophobicContact CB-CG1 4.17Å; F291-V518 CarbonylContact O-C 3.58Å; F291-V518 WeakPolarHBondContact O-CA 3.23Å; V292-V518 HydrophobicContact CG2-CG2 4.47Å; Y315-V518 VanDerWaalsContact OH-CG2 3.23Å; Y315-V518 WeakPolarHBondContact OH-CG2 3.24Å; F516-V518 HydrophobicContact CD2-CG2 4.07Å; F516-V518 HydrophobicContact CE2-CG2 3.73Å; V518-Y520 HydrophobicContact CB-CE2 4.26Å; V518-Y520 HydrophobicContact CG1-CD2 4.3Å; V518-Y520 HydrophobicContact CG1-CE1 4.48Å; V518-Y520 HydrophobicContact CG1-CE2 3.66Å; V518-V526 CarbonylContact O-C 3.57Å; V518-V526 VanDerWaalsContact O-CA 3.3Å; V518-V526 WeakPolarHBondContact O-CA 3.18Å; V518-E527 HydrophobicContact CB-CB 4.38Å; V518-E527 PolarHBondContact N-O 3.33Å; V518-E527 PolarHBondContact O-N 3.27Å
519Y96.6Very high92.8Very high3 Ų341.3 Ų41.31%0.01221%0.21CC..EExtended strand (participates in β ladder)trans-110.8125.6176.8175.7-112.3000110.2M290 F291 Q417 I419 V484 L502 P521 R524 T525 V526M290-Y519 WeakPolarHBondContact CA-O 3.26Å; F291-Y519 HydrophobicContact CD2-CD1 4.08Å; F291-Y519 PolarHBondContact N-O 3.31Å; F291-Y519 PolarHBondContact O-N 2.86Å; Q417-Y519 PolarHBondContact OE1-OH 2.91Å; I419-Y519 HydrophobicContact CD1-CD1 4.39Å; I419-Y519 HydrophobicContact CD1-CE1 4.16Å; V484-Y519 HydrophobicContact CG2-CE1 3.8Å; V484-Y519 HydrophobicContact CG2-CE2 3.87Å; V484-Y519 VanDerWaalsContact CG2-CZ 3.42Å; V484-Y519 WeakPolarHBondContact CG2-OH 3.42Å; L502-Y519 HydrophobicContact CD2-CD2 3.9Å; L502-Y519 HydrophobicContact CD2-CE2 3.55Å; Y519-P521 HydrophobicContact CE1-CB 4.09Å; Y519-R524 HydrophobicContact CE2-CB 4.38Å; Y519-T525 VanDerWaalsContact CD2-O 3.28Å; Y519-T525 WeakPolarHBondContact CD2-O 3.5Å; Y519-V526 HydrophobicContact CD2-CG2 3.77Å
520Y95.3Very high92.7Very high49 Ų4946.7 Ų46.719%0.19223%0.233CC..EExtended strand (participates in β ladder)trans-101.5113.6174.4-63-91.2000108.4A289 M290 V518 N523 R524 T525 E527A289-Y520 WeakPolarHBondContact O-CD1 3.34Å; M290-Y520 HydrophobicContact CB-CD1 3.97Å; M290-Y520 HydrophobicContact CB-CE1 3.85Å; V518-Y520 HydrophobicContact CB-CE2 4.26Å; V518-Y520 HydrophobicContact CG1-CD2 4.3Å; V518-Y520 HydrophobicContact CG1-CE1 4.48Å; V518-Y520 HydrophobicContact CG1-CE2 3.66Å; Y520-N523 VanDerWaalsContact CB-OD1 3.31Å; Y520-N523 WeakPolarHBondContact CB-OD1 3.43Å; Y520-N523 PolarHBondContact O-OD1 3.28Å; Y520-R524 CarbonylContact O-C 3.45Å; Y520-R524 WeakPolarHBondContact O-CA 3.28Å; Y520-R524 PolarHBondContact O-N 2.82Å; Y520-T525 PolarHBondContact N-O 3.22Å; Y520-T525 PolarHBondContact O-N 3.35Å; Y520-E527 HydrophobicContact CD2-CG 4.45Å; Y520-E527 HydrophobicContact CE2-CB 4.33Å; Y520-E527 VanDerWaalsContact CE2-CD 3.47Å; Y520-E527 HydrophobicContact CE2-CG 3.85Å; Y520-E527 VanDerWaalsContact CE2-OE2 3.26Å; Y520-E527 WeakPolarHBondContact CE2-OE2 3.16Å; Y520-E527 PolarHBondContact OH-OE2 2.65Å
521P92.9Very high92.5Very high0 Ų046.1 Ų46.10%023%0.229CC..THydrogen-bonded Turntrans-68.6-38.8-176.631.6-35.9000111.4A289 F291 Y414 Q417 Y519 N523 R524A289-P521 HydrophobicContact CB-CG 3.49Å; A289-P521 VanDerWaalsContact CB-CG 3.49Å; A289-P521 WeakPolarHBondContact O-CD 3.33Å; F291-P521 HydrophobicContact CD2-CG 4.3Å; F291-P521 HydrophobicContact CE2-CB 4.18Å; F291-P521 HydrophobicContact CE2-CG 3.85Å; Y414-P521 HydrophobicContact CD1-CB 3.66Å; Y414-P521 HydrophobicContact CD1-CG 3.85Å; Y414-P521 HydrophobicContact CE1-CB 3.68Å; Y414-P521 HydrophobicContact CE1-CG 3.39Å; Q417-P521 PolarHBondContact NE2-O 3.12Å; Y519-P521 HydrophobicContact CE1-CB 4.09Å; P521-N523 VanDerWaalsContact C-N 3.33Å; P521-N523 PolarHBondContact O-N 2.88Å; P521-R524 PolarHBondContact O-N 2.93Å
522S91.3Very high92.1Very high29 Ų2945.6 Ų45.620%0.20323%0.232CC..THydrogen-bonded Turntrans-52.1-45.6-174.454.90000113.6
523N90.9Very high91.3Very high96 Ų9648.1 Ų48.151%0.51326%0.262SS..THydrogen-bonded Turntrans-112.61-179.562.86.7000113.4Y520 P521 T525Y520-N523 VanDerWaalsContact CB-OD1 3.31Å; Y520-N523 WeakPolarHBondContact CB-OD1 3.43Å; Y520-N523 PolarHBondContact O-OD1 3.28Å; P521-N523 VanDerWaalsContact C-N 3.33Å; P521-N523 PolarHBondContact O-N 2.88Å; N523-T525 HydrophobicContact CB-CG2 4.18Å; N523-T525 VanDerWaalsContact CG-CG2 3.45Å; N523-T525 PolarHBondContact ND2-OG1 2.91Å; N523-T525 PolarHBondContact O-N 3.27Å; N523-T525 WeakPolarHBondContact OD1-CG2 3.15Å; N523-T525 PolarHBondContact OD1-N 2.79Å; N523-T525 PolarHBondContact OD1-OG1 2.83Å
524R91.9Very high90.2Very high106 Ų10654.4 Ų54.440%0.429%0.292SS..THydrogen-bonded Turntrans57.331.9-177.3-52.5178.3177.6-145.1-10.7113.6D483 Y519 Y520 P521D483-R524 IonicContact OD1-CZ 3.49Å; D483-R524 IonicContact OD1-NH1 3.88Å; D483-R524 PolarHBondContact OD1-NH1 3.12Å; D483-R524 IonicContact OD1-NH2 3.43Å; D483-R524 PolarHBondContact OD1-NH2 3.13Å; Y519-R524 HydrophobicContact CE2-CB 4.38Å; Y520-R524 CarbonylContact O-C 3.45Å; Y520-R524 WeakPolarHBondContact O-CA 3.28Å; Y520-R524 PolarHBondContact O-N 2.82Å; P521-R524 PolarHBondContact O-N 2.93Å
525T93.4Very high90.1Very high53 Ų5356.2 Ų56.233%0.32530%0.303SS..EExtended strand (participates in β ladder)trans-90152.8177.765.90000112.1Y519 Y520 N523Y519-T525 VanDerWaalsContact CD2-O 3.28Å; Y519-T525 WeakPolarHBondContact CD2-O 3.5Å; Y520-T525 PolarHBondContact N-O 3.22Å; Y520-T525 PolarHBondContact O-N 3.35Å; N523-T525 HydrophobicContact CB-CG2 4.18Å; N523-T525 VanDerWaalsContact CG-CG2 3.45Å; N523-T525 PolarHBondContact ND2-OG1 2.91Å; N523-T525 PolarHBondContact O-N 3.27Å; N523-T525 WeakPolarHBondContact OD1-CG2 3.15Å; N523-T525 PolarHBondContact OD1-N 2.79Å; N523-T525 PolarHBondContact OD1-OG1 2.83Å
526V95.1Very high89.9Confident35 Ų3558.1 Ų58.121%0.21231%0.312CS..EExtended strand (participates in β ladder)trans-121.5127.9173.7177.70000108.4L502 L504 K517 V518 Y519L502-V526 HydrophobicContact CD1-CG2 4.3Å; L502-V526 HydrophobicContact CD2-CG2 3.31Å; L502-V526 HydrophobicContact CG-CG2 4.12Å; L504-V526 HydrophobicContact CD2-CG2 3.92Å; K517-V526 HydrophobicContact CB-CG1 4.27Å; K517-V526 HydrophobicContact CD-CG1 4.05Å; K517-V526 HydrophobicContact CG-CG1 4.25Å; V518-V526 CarbonylContact O-C 3.57Å; V518-V526 VanDerWaalsContact O-CA 3.3Å; V518-V526 WeakPolarHBondContact O-CA 3.18Å; Y519-V526 HydrophobicContact CD2-CG2 3.77Å
527E94.6Very high89.6Confident98 Ų9860.9 Ų60.946%0.45833%0.328SS..EExtended strand (participates in β ladder)trans-110.1144.6172.8-65.6-177.1162.600110.4K517 V518 Y520K517-E527 WeakPolarHBondContact CA-O 3.31Å; V518-E527 HydrophobicContact CB-CB 4.38Å; V518-E527 PolarHBondContact N-O 3.33Å; V518-E527 PolarHBondContact O-N 3.27Å; Y520-E527 HydrophobicContact CD2-CG 4.45Å; Y520-E527 HydrophobicContact CE2-CB 4.33Å; Y520-E527 VanDerWaalsContact CE2-CD 3.47Å; Y520-E527 HydrophobicContact CE2-CG 3.85Å; Y520-E527 VanDerWaalsContact CE2-OE2 3.26Å; Y520-E527 WeakPolarHBondContact CE2-OE2 3.16Å; Y520-E527 PolarHBondContact OH-OE2 2.65Å
528D92.7Very high89.2Confident111 Ų11164.4 Ų64.459%0.59435%0.347SS*.EExtended strand (participates in β ladder)trans-101.2126.8175.3-72-46.9000109.5K517K517-D528 WeakPolarHBondContact CE-OD1 3.4Å; K517-D528 WeakPolarHBondContact CG-OD1 3.29Å; K517-D528 IonicContact NZ-OD1 2.71Å; K517-D528 PolarHBondContact NZ-OD1 2.73Å; K517-D528 IonicContact NZ-OD2 3.9Å
529S91.6Very high88.8Confident33 Ų3368.4 Ų68.423%0.23137%0.368CS..EExtended strand (participates in β ladder)trans-118.2143.3174.9-73.80000110.2T515 F516T515-S529 CarbonylContact C-O 3.45Å; T515-S529 VanDerWaalsContact CA-O 3.23Å; T515-S529 WeakPolarHBondContact CA-O 3.48Å; F516-S529 VanDerWaalsContact CE1-CB 3.45Å; F516-S529 PolarHBondContact N-O 2.97Å; F516-S529 PolarHBondContact O-N 3.21Å
530K91.4Very high88.2Confident113 Ų11372.7 Ų72.749%0.49139%0.392SS..EExtended strand (participates in β ladder)trans-138.6128.5-176.8-171.1169.2-175.7179.90110.8G513 T515 Q532G513-K530 WeakPolarHBondContact O-CG 3.16Å; T515-K530 HydrophobicContact CG2-CB 4Å; T515-K530 HydrophobicContact CG2-CD 3.75Å; T515-K530 HydrophobicContact CG2-CG 3.67Å; K530-Q532 HydrophobicContact CD-CB 4.33Å; K530-Q532 HydrophobicContact CG-CB 4.07Å
531L87.6Confident87.7Confident17 Ų1774.4 Ų74.49%0.08941%0.406CS..  trans-105.615.5-177.8-53.5174.7000113.2K307 I310 M311 F509 F514 F516 G533 L534K307-L531 HydrophobicContact CB-CD1 4.22Å; K307-L531 HydrophobicContact CD-CB 3.99Å; K307-L531 PolarHBondContact NZ-O 2.93Å; I310-L531 HydrophobicContact CG2-CD2 4.44Å; M311-L531 HydrophobicContact CB-CD1 4.1Å; F509-L531 HydrophobicContact CE2-CD1 4.49Å; F509-L531 HydrophobicContact CZ-CD1 4.22Å; F514-L531 HydrophobicContact CB-CB 3.94Å; F514-L531 PolarHBondContact O-N 3.02Å; F514-L531 VanDerWaalsContact O-N 3.13Å; F516-L531 HydrophobicContact CD1-CD1 4.42Å; F516-L531 HydrophobicContact CD1-CG 4.47Å; F516-L531 HydrophobicContact CE1-CD1 3.92Å; F516-L531 HydrophobicContact CE1-CD2 4.15Å; F516-L531 HydrophobicContact CE1-CG 3.88Å; L531-G533 PolarHBondContact O-N 2.85Å; L531-L534 HydrophobicContact CD2-CD1 4.36Å
532Q79.9Confident87.3Confident127 Ų12780.2 Ų80.259%0.59344%0.438SS*.THydrogen-bonded Turntrans-66.7121.3175.9-167.517317.200110.2G513 K530G513-Q532 WeakPolarHBondContact O-CB 3.41Å; G513-Q532 PolarHBondContact O-N 3.24Å; K530-Q532 HydrophobicContact CD-CB 4.33Å; K530-Q532 HydrophobicContact CG-CB 4.07Å
533G70.3Confident87Confident80 Ų8084.4 Ų84.483%0.82546%0.457SS*.THydrogen-bonded Turntrans93.5-1.817600000116.6L531L531-G533 PolarHBondContact O-N 2.85Å
534L64.9Low86.7Confident144 Ų14483.4 Ų83.475%0.75445%0.452SS*.  trans-97.70169.5-69.4171.6000110.9K307 I310 L531K307-L534 PolarHBondContact NZ-OXT 3.18Å; I310-L534 WeakPolarHBondContact CD1-OXT 3.35Å; L531-L534 HydrophobicContact CD2-CD1 4.36Å

Retrieved 534 of 534 residues in 156.1 ms (Link to these results)

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