A0A077Z211_TRITR Loading...

Intraflagellar transport protein 122 homolog

AlphaFold DB , UniProt , Accession A0A077Z211, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,130 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
1M76.6Confident88.9Confident34 Ų3464.3 Ų64.317%0.16735%0.351CS..  0121.70173.9176.2164.700103.7L251 V262 I295 R296 F297 M335M1-L251 HydrophobicContact CE-CD2 3.83Å; M1-L251 HydrophobicContact SD-CD2 3.99Å; M1-V262 HydrophobicContact CE-CG2 4.35Å; M1-I295 HydrophobicContact CE-CB 4.22Å; M1-I295 HydrophobicContact CE-CD1 3.74Å; M1-I295 HydrophobicContact CE-CG1 3.82Å; M1-I295 HydrophobicContact CE-CG2 3.35Å; M1-I295 HydrophobicContact CG-CG2 3.8Å; M1-I295 HydrophobicContact SD-CG2 4.04Å; M1-R296 WeakPolarHBondContact CA-O 3.33Å; M1-F297 HydrophobicContact CE-CE1 4.43Å; M1-F297 HydrophobicContact CG-CD1 4.27Å; M1-F297 HydrophobicContact CG-CE1 4.19Å; M1-F297 HydrophobicContact SD-CD1 4.35Å; M1-F297 HydrophobicContact SD-CE1 3.75Å; M1-M335 HydrophobicContact CB-CE 3.48Å; M1-M335 VanDerWaalsContact CB-CE 3.48Å
2N79.7Confident88.7Confident108 Ų10863.9 Ų63.958%0.57836%0.357SS*.EExtended strand (participates in β ladder)trans-116.4128.3-179.6-67.77.1000106.8R296N2-R296 PolarHBondContact N-O 3.04Å; N2-R296 PolarHBondContact O-N 3.17Å
3C85.2Confident88.1Confident39 Ų3964.4 Ų64.426%0.26435%0.354SS..EExtended strand (participates in β ladder)trans-104.1123.8175-58.30000107V262 Y293 Q294C3-V262 HydrophobicContact CB-CG1 4.36Å; C3-V262 WeakPolarHBondContact CB-O 3.49Å; C3-Y293 HydrophobicContact CB-CD1 4.03Å; C3-Q294 WeakPolarHBondContact CA-O 3.4Å
4V89.7Confident87.2Confident69 Ų6969.1 Ų69.142%0.41839%0.389SS..EExtended strand (participates in β ladder)trans-122.4141.1178.5-176.10000107.5A6 Y293 Q294V4-A6 PolarHBondContact O-N 3.42Å; V4-Y293 CarbonylContact O-C 3.57Å; V4-Y293 WeakPolarHBondContact O-CA 3.22Å; V4-Q294 PolarHBondContact N-O 2.91Å; V4-Q294 PolarHBondContact O-N 3.03Å
5I91.9Very high86.8Confident87 Ų8774.3 Ų74.345%0.44642%0.416SS..EExtended strand (participates in β ladder)trans-65.3120173.8-61.3170.4000107.9V291 Y293I5-V291 HydrophobicContact CB-CG1 4.49Å; I5-V291 HydrophobicContact CD1-CG1 4.46Å; I5-V291 HydrophobicContact CG1-CG1 4.07Å; I5-V291 HydrophobicContact CG2-CG1 3.81Å; I5-Y293 HydrophobicContact CD1-CE1 4.46Å; I5-Y293 HydrophobicContact CG1-CD1 4.13Å; I5-Y293 HydrophobicContact CG1-CE1 3.57Å; I5-Y293 HydrophobicContact CG1-CE2 4.29Å
6A91.6Very high86.3Confident42 Ų4273.3 Ų73.335%0.34743%0.427SS..EExtended strand (participates in β ladder)trans-75.7-51.4171.800000109.5V4 V292 Q294V4-A6 PolarHBondContact O-N 3.42Å; A6-V292 HydrophobicContact CB-CB 4.47Å; A6-V292 HydrophobicContact CB-CG1 4.21Å; A6-V292 WeakPolarHBondContact CB-O 3.46Å; A6-V292 PolarHBondContact N-O 3.17Å; A6-Q294 HydrophobicContact CB-CB 4.32Å
7W95.1Very high86.1Confident18 Ų1873.6 Ų73.67%0.06843%0.43CS..EExtended strand (participates in β ladder)trans-158.8162.1172.656-100.9000110.6K9 L33 Y44 E46 V290 V292W7-K9 HydrophobicContact CE3-CG 4.04Å; W7-K9 HydrophobicContact CZ3-CB 4.22Å; W7-K9 HydrophobicContact CZ3-CG 4Å; W7-L33 HydrophobicContact CH2-CD2 3.81Å; W7-L33 HydrophobicContact CZ2-CD2 3.98Å; W7-Y44 HydrophobicContact CH2-CG 4.37Å; W7-E46 PolarHBondContact NE1-O 3.48Å; W7-V290 HydrophobicContact CH2-CG1 3.91Å; W7-V290 HydrophobicContact CZ3-CB 4.29Å; W7-V290 HydrophobicContact CZ3-CG1 3.81Å; W7-V292 HydrophobicContact CD2-CB 4.08Å; W7-V292 HydrophobicContact CD2-CG2 3.95Å; W7-V292 HydrophobicContact CE3-CG2 4.28Å; W7-V292 HydrophobicContact CG-CB 4.42Å; W7-V292 HydrophobicContact CH2-CG2 3.64Å; W7-V292 HydrophobicContact CZ2-CB 4.15Å; W7-V292 HydrophobicContact CZ2-CG2 3.23Å; W7-V292 HydrophobicContact CZ3-CG2 4.14Å; W7-V292 PolarHBondContact N-O 3.01Å; W7-V292 PolarHBondContact O-N 3.15Å
8S93.5Very high85.7Confident65 Ų6573.3 Ų73.346%0.45543%0.433SS..EExtended strand (participates in β ladder)trans-139.7141.1175.457.90000110.7V290S8-V290 CarbonylContact C-O 3.59Å; S8-V290 VanDerWaalsContact CA-O 3.26Å; S8-V290 WeakPolarHBondContact CA-O 3.32Å
9K92.9Very high85.8Confident97 Ų9769.6 Ų69.642%0.42241%0.411SS..EExtended strand (participates in β ladder)trans-137.1138176.4-71.5-63.6-175.7-177.10110.2W7 Y44 G49 V290W7-K9 HydrophobicContact CE3-CG 4.04Å; W7-K9 HydrophobicContact CZ3-CB 4.22Å; W7-K9 HydrophobicContact CZ3-CG 4Å; K9-Y44 HydrophobicContact CG-CE1 4.29Å; K9-G49 VanDerWaalsContact CE-O 3.25Å; K9-G49 WeakPolarHBondContact CE-O 3.34Å; K9-V290 PolarHBondContact N-O 3.13Å; K9-V290 PolarHBondContact O-N 3.26Å
10E91.3Very high86Confident141 Ų14169.9 Ų69.966%0.65941%0.408SS*.EExtended strand (participates in β ladder)trans-106.3127.8175-169.1177.3171.700108.7G288E10-G288 WeakPolarHBondContact CA-O 3.34Å
11I90Very high86.4Confident7 Ų766.5 Ų66.54%0.03639%0.389CS..  trans-107115.5-179.8-54175.1000108.1C19 V35 A37 Y42 Y44 G288 V290I11-C19 HydrophobicContact CG2-CB 4.33Å; I11-C19 WeakPolarHBondContact O-CB 3.28Å; I11-C19 PolarHBondContact O-N 2.94Å; I11-C19 VanDerWaalsContact O-N 3.08Å; I11-V35 HydrophobicContact CD1-CG1 3.87Å; I11-A37 HydrophobicContact CB-CB 4.34Å; I11-A37 HydrophobicContact CD1-CB 4.06Å; I11-A37 HydrophobicContact CG2-CB 3.84Å; I11-Y42 HydrophobicContact CD1-CD2 4.01Å; I11-Y42 HydrophobicContact CD1-CE2 4.45Å; I11-Y42 HydrophobicContact CD1-CG 4.32Å; I11-Y42 HydrophobicContact CG2-CD2 4.31Å; I11-Y42 HydrophobicContact CG2-CE2 3.7Å; I11-Y44 HydrophobicContact CD1-CE2 4.1Å; I11-Y44 WeakPolarHBondContact CD1-OH 3.28Å; I11-Y44 WeakPolarHBondContact CG1-OH 3.29Å; I11-G288 PolarHBondContact N-O 2.98Å; I11-V290 HydrophobicContact CD1-CG2 3.87Å; I11-V290 HydrophobicContact CG1-CG2 4.43Å
12S86.6Confident87.2Confident60 Ų6065.9 Ų65.942%0.4239%0.388SS..BIsolated β-bridgetrans-111.6155.3174.263.20000110.9T17S12-T17 CarbonylContact C-O 3.51Å; S12-T17 VanDerWaalsContact CA-O 3.28Å; S12-T17 WeakPolarHBondContact CA-O 3.37Å; S12-T17 WeakPolarHBondContact CB-O 3.35Å
13H81.3Confident87.9Confident70 Ų7061.5 Ų61.532%0.32437%0.365SS..  trans-62.1162.4163.8-72.3-74.9000110.8D15 G16 T17 C19H13-D15 PolarHBondContact O-N 3.47Å; H13-D15 VanDerWaalsContact O-N 3.08Å; H13-G16 PolarHBondContact O-N 2.57Å; H13-T17 WeakPolarHBondContact CB-OG1 3.34Å; H13-T17 PolarHBondContact CD2-OG1 2.64Å; H13-T17 PolarHBondContact N-O 3.01Å; H13-C19 PolarHBondContact CE1-SG 3.39Å; H13-C19 PolarHBondContact NE2-SG 3.02Å
14P75.8Confident88.4Confident130 Ų13059.7 Ų59.784%0.84435%0.353SS*.THydrogen-bonded Turntrans-53.5-28173.2-25.534.5000113.7G16P14-G16 PolarHBondContact O-N 3.32Å
15D81Confident88.7Confident148 Ų14857.3 Ų57.379%0.79134%0.339SS*.THydrogen-bonded Turntrans-81.20.5-179.3-52-23.4000113.1H13 T17H13-D15 PolarHBondContact O-N 3.47Å; H13-D15 VanDerWaalsContact O-N 3.08Å; D15-T17 VanDerWaalsContact C-N 3.33Å
16G78.2Confident88.8Confident58 Ų5853.8 Ų53.860%0.59832%0.32SS*.SBendtrans84-0.9-179.200000115H13 P14H13-G16 PolarHBondContact O-N 2.57Å; P14-G16 PolarHBondContact O-N 3.32Å
17T82.6Confident88.9Confident78 Ų7852.3 Ų52.348%0.47931%0.306SS..  trans-75.4141.9175.4520000111.3S12 H13 D15 C19S12-T17 CarbonylContact C-O 3.51Å; S12-T17 VanDerWaalsContact CA-O 3.28Å; S12-T17 WeakPolarHBondContact CA-O 3.37Å; S12-T17 WeakPolarHBondContact CB-O 3.35Å; H13-T17 WeakPolarHBondContact CB-OG1 3.34Å; H13-T17 PolarHBondContact CD2-OG1 2.64Å; H13-T17 PolarHBondContact N-O 3.01Å; D15-T17 VanDerWaalsContact C-N 3.33Å; T17-C19 PolarHBondContact O-N 3.36Å
18S80.3Confident88.7Confident68 Ų6853.6 Ų53.648%0.47632%0.316SS..BIsolated β-bridgetrans-58.5130.417651.90000111.1D287S18-D287 WeakPolarHBondContact CB-O 3.43Å
19C86.4Confident88.6Confident3 Ų354.5 Ų54.52%0.0232%0.316CS..  trans-100.7113.3179.4-165.60000110.1I11 H13 T17 I21 A37 G38 G288I11-C19 HydrophobicContact CG2-CB 4.33Å; I11-C19 WeakPolarHBondContact O-CB 3.28Å; I11-C19 PolarHBondContact O-N 2.94Å; I11-C19 VanDerWaalsContact O-N 3.08Å; H13-C19 PolarHBondContact CE1-SG 3.39Å; H13-C19 PolarHBondContact NE2-SG 3.02Å; T17-C19 PolarHBondContact O-N 3.36Å; C19-I21 PolarHBondContact O-N 3.47Å; C19-A37 HydrophobicContact CB-CB 4.37Å; C19-G38 VanDerWaalsContact SG-CA 3.57Å; C19-G38 PolarHBondContact SG-N 3.19Å; C19-G288 WeakPolarHBondContact O-CA 3.26Å; C19-G288 PolarHBondContact O-N 2.94Å
20Q90.3Very high88.5Confident75 Ų7550 Ų5035%0.3530%0.297SS..  trans-58.1127.6-179.7178.8-175.4-27.900111.4S22 W270 N286Q20-S22 PolarHBondContact O-N 3.49Å; Q20-W270 VanDerWaalsContact CD-NE1 3.29Å; Q20-W270 HydrophobicContact CG-CG 4.38Å; Q20-N286 PolarHBondContact OE1-OD1 3.22Å
21I93.9Very high88.6Confident0 Ų046.5 Ų46.50%029%0.285CS..EExtended strand (participates in β ladder)trans-78116.7172.5-64.6152.7000108.2C19 M24 V35 A36 W270 C285 G288 L289 V290C19-I21 PolarHBondContact O-N 3.47Å; I21-M24 HydrophobicContact CG2-CG 3.83Å; I21-M24 HydrophobicContact CG2-SD 4.18Å; I21-V35 HydrophobicContact CG1-CG1 4.11Å; I21-V35 HydrophobicContact CG2-CG1 3.83Å; I21-A36 WeakPolarHBondContact CA-O 3.34Å; I21-W270 WeakPolarHBondContact O-CB 3.3Å; I21-C285 PolarHBondContact N-O 3.36Å; I21-G288 VanDerWaalsContact CD1-C 3.45Å; I21-L289 WeakPolarHBondContact CD1-O 3.05Å; I21-V290 HydrophobicContact CD1-CB 4.29Å; I21-V290 HydrophobicContact CD1-CG2 3.39Å; I21-V290 HydrophobicContact CG1-CG2 4.16Å
22S93.5Very high88.8Confident21 Ų2147.4 Ų47.415%0.14729%0.29CS..EExtended strand (participates in β ladder)trans-89.3-39.3-175.9-62.20000112.7Q20 A36 V62Q20-S22 PolarHBondContact O-N 3.49Å; S22-A36 PolarHBondContact N-O 3.47Å; S22-V62 WeakPolarHBondContact CB-O 3.3Å
23C94.9Very high89.2Confident16 Ų1644.6 Ų44.611%0.10827%0.27CS..EExtended strand (participates in β ladder)trans-161.1155-178.6-177.80000110.5A36 Y63 D271C23-A36 WeakPolarHBondContact O-CB 3.41Å; C23-A36 PolarHBondContact O-N 3.24Å; C23-Y63 VanDerWaalsContact CB-O 3.23Å; C23-Y63 WeakPolarHBondContact CB-O 3.5Å; C23-D271 WeakPolarHBondContact CA-OD2 3.43Å; C23-D271 PolarHBondContact SG-OD2 2.91Å
24M95.6Very high89.9Confident0 Ų041.2 Ų41.20%025%0.254CS..EExtended strand (participates in β ladder)trans-136.6156.5174.9-56-179.7-62.700110.8I21 L33 L34 V35 D271 K273 A282 I283 V290I21-M24 HydrophobicContact CG2-CG 3.83Å; I21-M24 HydrophobicContact CG2-SD 4.18Å; M24-L33 HydrophobicContact CB-CD1 4.35Å; M24-L34 CarbonylContact C-O 3.59Å; M24-L34 WeakPolarHBondContact CA-O 3.48Å; M24-V35 HydrophobicContact CG-CB 4.38Å; M24-V35 HydrophobicContact CG-CG1 4.14Å; M24-V35 HydrophobicContact CG-CG2 4.06Å; M24-V35 HydrophobicContact SD-CG2 4.21Å; M24-D271 HydrophobicContact CE-CB 4.2Å; M24-D271 VanDerWaalsContact CE-O 3.31Å; M24-D271 WeakPolarHBondContact CE-O 3.46Å; M24-D271 PolarHBondContact N-OD2 3.19Å; M24-K273 HydrophobicContact CB-CG 4.42Å; M24-K273 WeakPolarHBondContact O-CE 3.41Å; M24-K273 VanDerWaalsContact O-CG 3.31Å; M24-K273 WeakPolarHBondContact O-CG 3.43Å; M24-A282 HydrophobicContact CE-CB 4.08Å; M24-A282 HydrophobicContact SD-CB 4.33Å; M24-I283 VanDerWaalsContact CE-C 3.48Å; M24-V290 HydrophobicContact SD-CG1 4.18Å
25T95.3Very high90.9Very high20 Ų2035 Ų3512%0.12321%0.214CC..EExtended strand (participates in β ladder)trans-152.4145.7170.7-161.80000111L34 I65T25-L34 HydrophobicContact CG2-CB 3.99Å; T25-L34 HydrophobicContact CG2-CD1 3.9Å; T25-L34 HydrophobicContact CG2-CG 4.44Å; T25-L34 PolarHBondContact N-O 2.89Å; T25-L34 PolarHBondContact O-N 2.97Å; T25-I65 HydrophobicContact CG2-CB 4.1Å; T25-I65 HydrophobicContact CG2-CG2 3.58Å
26Y95Very high91.6Very high13 Ų1328 Ų285%0.05118%0.176CC..EExtended strand (participates in β ladder)trans-85146.8170.3-78.5-79.3000110E32 L33 E46 K273 A274 K275 A282Y26-E32 WeakPolarHBondContact CA-O 3.22Å; Y26-L33 HydrophobicContact CD1-CB 4.22Å; Y26-L33 HydrophobicContact CD1-CD1 3.97Å; Y26-L33 HydrophobicContact CD2-CD1 4.08Å; Y26-L33 HydrophobicContact CE1-CB 4.03Å; Y26-L33 HydrophobicContact CE1-CD1 3.83Å; Y26-L33 HydrophobicContact CE1-CG 4.38Å; Y26-L33 HydrophobicContact CE2-CD1 3.94Å; Y26-L33 HydrophobicContact CG-CD1 4.1Å; Y26-E46 HydrophobicContact CD1-CG 4.3Å; Y26-E46 HydrophobicContact CE1-CG 3.66Å; Y26-K273 HydrophobicContact CD2-CB 4.01Å; Y26-K273 HydrophobicContact CE2-CB 4.05Å; Y26-K273 WeakPolarHBondContact CE2-O 3.37Å; Y26-A274 VanDerWaalsContact CD2-O 3.31Å; Y26-A274 WeakPolarHBondContact CD2-O 3.25Å; Y26-K275 HydrophobicContact CD1-CB 4.47Å; Y26-K275 HydrophobicContact CD1-CG 4.28Å; Y26-K275 HydrophobicContact CD2-CB 4.4Å; Y26-K275 HydrophobicContact CE1-CB 4.09Å; Y26-K275 HydrophobicContact CE1-CG 4.15Å; Y26-K275 HydrophobicContact CE2-CB 4.03Å; Y26-A282 HydrophobicContact CE2-CB 3.95Å; Y26-A282 WeakPolarHBondContact OH-CB 3.34Å; Y26-A282 PolarHBondContact OH-N 3.36Å
27K93.7Very high92.3Very high11 Ų1125.3 Ų25.35%0.04815%0.149CC..  trans-61.1141.5157.6-170.9174.6175.9-154.60108.7D29 G30 E32 Y67 E88K27-D29 WeakPolarHBondContact CB-OD1 3.23Å; K27-D29 VanDerWaalsContact CD-OD1 3.27Å; K27-D29 WeakPolarHBondContact CD-OD1 3.41Å; K27-D29 WeakPolarHBondContact CD-OD2 3.18Å; K27-D29 WeakPolarHBondContact CE-OD2 3.18Å; K27-D29 WeakPolarHBondContact CG-OD1 3.42Å; K27-D29 IonicContact NZ-OD2 3.64Å; K27-D29 PolarHBondContact NZ-OD2 3.28Å; K27-D29 PolarHBondContact O-N 3.34Å; K27-D29 VanDerWaalsContact O-N 3.09Å; K27-G30 WeakPolarHBondContact O-CA 3.43Å; K27-G30 PolarHBondContact O-N 3Å; K27-E32 HydrophobicContact CB-CB 4.01Å; K27-E32 HydrophobicContact CD-CB 4.39Å; K27-E32 HydrophobicContact CD-CG 4.45Å; K27-E32 PolarHBondContact N-O 3.22Å; K27-Y67 HydrophobicContact CB-CD2 4.17Å; K27-Y67 HydrophobicContact CB-CE2 3.89Å; K27-Y67 HydrophobicContact CD-CE2 4.34Å; K27-Y67 HydrophobicContact CG-CD2 4.3Å; K27-Y67 HydrophobicContact CG-CE1 4.41Å; K27-Y67 HydrophobicContact CG-CE2 3.71Å; K27-E88 WeakPolarHBondContact CE-OE1 3.37Å; K27-E88 IonicContact NZ-OE1 3.59Å; K27-E88 PolarHBondContact NZ-OE1 3.44Å
28P91.1Very high92.7Very high45 Ų4521.9 Ų21.929%0.29213%0.129SC..THydrogen-bonded Turntrans-58.1-25.7-175.7-2834.8000114.9G30 Y67 A68 V69P28-G30 VanDerWaalsContact C-N 3.27Å; P28-Y67 VanDerWaalsContact CD-CD1 3.46Å; P28-Y67 HydrophobicContact CG-CD1 3.95Å; P28-Y67 HydrophobicContact CG-CG 4.28Å; P28-A68 VanDerWaalsContact CG-O 3.23Å; P28-A68 WeakPolarHBondContact CG-O 3.25Å; P28-V69 WeakPolarHBondContact CB-O 3.35Å; P28-V69 WeakPolarHBondContact CG-O 3.44Å
29D90.7Very high93.2Very high84 Ų8421.1 Ų21.145%0.44912%0.123SC..THydrogen-bonded Turntrans-76.9-11.217463.211000113.5K27 T31K27-D29 WeakPolarHBondContact CB-OD1 3.23Å; K27-D29 VanDerWaalsContact CD-OD1 3.27Å; K27-D29 WeakPolarHBondContact CD-OD1 3.41Å; K27-D29 WeakPolarHBondContact CD-OD2 3.18Å; K27-D29 WeakPolarHBondContact CE-OD2 3.18Å; K27-D29 WeakPolarHBondContact CG-OD1 3.42Å; K27-D29 IonicContact NZ-OD2 3.64Å; K27-D29 PolarHBondContact NZ-OD2 3.28Å; K27-D29 PolarHBondContact O-N 3.34Å; K27-D29 VanDerWaalsContact O-N 3.09Å; D29-T31 VanDerWaalsContact C-N 3.3Å; D29-T31 HydrophobicContact CB-CG2 4.21Å; D29-T31 PolarHBondContact O-N 3.36Å; D29-T31 WeakPolarHBondContact OD1-CB 3.44Å; D29-T31 PolarHBondContact OD1-N 3.35Å; D29-T31 PolarHBondContact OD1-OG1 3.35Å; D29-T31 PolarHBondContact OD2-OG1 3.5Å
30G91.3Very high93.5Very high3 Ų322.6 Ų22.63%0.03113%0.13CC..SBendtrans74.411.1-176.900000114.8K27 P28 E46 K275K27-G30 WeakPolarHBondContact O-CA 3.43Å; K27-G30 PolarHBondContact O-N 3Å; P28-G30 VanDerWaalsContact C-N 3.27Å; G30-E46 VanDerWaalsContact O-CB 3.31Å; G30-E46 WeakPolarHBondContact O-CB 3.4Å; G30-E46 WeakPolarHBondContact O-CG 3.34Å; G30-K275 WeakPolarHBondContact O-CE 3.13Å
31T92.8Very high93.8Very high66 Ų6619.1 Ų19.141%0.40511%0.114SC..SBendtrans-81-27.2-176.760.70000113.3D29 E46D29-T31 VanDerWaalsContact C-N 3.3Å; D29-T31 HydrophobicContact CB-CG2 4.21Å; D29-T31 PolarHBondContact O-N 3.36Å; D29-T31 WeakPolarHBondContact OD1-CB 3.44Å; D29-T31 PolarHBondContact OD1-N 3.35Å; D29-T31 PolarHBondContact OD1-OG1 3.35Å; D29-T31 PolarHBondContact OD2-OG1 3.5Å; T31-E46 VanDerWaalsContact O-CB 3.24Å; T31-E46 WeakPolarHBondContact O-CB 3.32Å; T31-E46 PolarHBondContact O-N 2.86Å
32E94.7Very high93.8Very high27 Ų2720.8 Ų20.813%0.12612%0.121CC..EExtended strand (participates in β ladder)trans-131.3145.9-174.3-66.9168.4-170.700111.6Y26 K27 V43 Y44 I52 H90Y26-E32 WeakPolarHBondContact CA-O 3.22Å; K27-E32 HydrophobicContact CB-CB 4.01Å; K27-E32 HydrophobicContact CD-CB 4.39Å; K27-E32 HydrophobicContact CD-CG 4.45Å; K27-E32 PolarHBondContact N-O 3.22Å; E32-V43 HydrophobicContact CB-CG1 4.39Å; E32-V43 HydrophobicContact CG-CG1 4.37Å; E32-Y44 CarbonylContact C-O 3.59Å; E32-Y44 VanDerWaalsContact CA-O 3.32Å; E32-Y44 WeakPolarHBondContact CA-O 3.1Å; E32-I52 HydrophobicContact CG-CD1 3.97Å; E32-H90 IonicContact OE2-CE1 3.56Å; E32-H90 PolarHBondContact OE2-CE1 3.1Å; E32-H90 VanDerWaalsContact OE2-CE1 3.3Å
33L95.7Very high94Very high0 Ų019.8 Ų19.80%011%0.114CC..EExtended strand (participates in β ladder)trans-118.5117.7171.7178.568000109.1W7 M24 Y26 V35 Y44 A282 V290 V292W7-L33 HydrophobicContact CH2-CD2 3.81Å; W7-L33 HydrophobicContact CZ2-CD2 3.98Å; M24-L33 HydrophobicContact CB-CD1 4.35Å; Y26-L33 HydrophobicContact CD1-CB 4.22Å; Y26-L33 HydrophobicContact CD1-CD1 3.97Å; Y26-L33 HydrophobicContact CD2-CD1 4.08Å; Y26-L33 HydrophobicContact CE1-CB 4.03Å; Y26-L33 HydrophobicContact CE1-CD1 3.83Å; Y26-L33 HydrophobicContact CE1-CG 4.38Å; Y26-L33 HydrophobicContact CE2-CD1 3.94Å; Y26-L33 HydrophobicContact CG-CD1 4.1Å; L33-V35 HydrophobicContact CD2-CG2 4.22Å; L33-V35 HydrophobicContact CG-CG2 4.06Å; L33-Y44 PolarHBondContact N-O 3.49Å; L33-Y44 PolarHBondContact O-N 3.43Å; L33-A282 HydrophobicContact CD1-CB 3.91Å; L33-A282 HydrophobicContact CD2-CB 3.7Å; L33-A282 HydrophobicContact CG-CB 4.49Å; L33-V290 HydrophobicContact CD2-CG1 4.22Å; L33-V292 HydrophobicContact CD2-CG2 4.02Å
34L96.2Very high94Very high0 Ų019.6 Ų19.60%011%0.111CC..EExtended strand (participates in β ladder)trans-91.6131.6174.6-61.9171.2000109.6M24 T25 V41 Y42 V43 I65 Y67 F74M24-L34 CarbonylContact C-O 3.59Å; M24-L34 WeakPolarHBondContact CA-O 3.48Å; T25-L34 HydrophobicContact CG2-CB 3.99Å; T25-L34 HydrophobicContact CG2-CD1 3.9Å; T25-L34 HydrophobicContact CG2-CG 4.44Å; T25-L34 PolarHBondContact N-O 2.89Å; T25-L34 PolarHBondContact O-N 2.97Å; L34-V41 HydrophobicContact CB-CG1 4.38Å; L34-V41 HydrophobicContact CD2-CG1 4.34Å; L34-Y42 CarbonylContact C-O 3.59Å; L34-Y42 WeakPolarHBondContact CA-O 3.37Å; L34-V43 HydrophobicContact CD2-CB 3.98Å; L34-V43 HydrophobicContact CD2-CG1 3.83Å; L34-V43 HydrophobicContact CD2-CG2 3.51Å; L34-I65 HydrophobicContact CB-CD1 4.29Å; L34-I65 HydrophobicContact CB-CG2 4.23Å; L34-I65 HydrophobicContact CD1-CG2 4.03Å; L34-Y67 HydrophobicContact CD1-CD2 3.83Å; L34-Y67 HydrophobicContact CD1-CE2 4.01Å; L34-F74 HydrophobicContact CD1-CB 4.27Å; L34-F74 HydrophobicContact CD1-CD1 4.16Å; L34-F74 HydrophobicContact CD1-CD2 3.7Å; L34-F74 HydrophobicContact CD1-CE1 4.42Å; L34-F74 HydrophobicContact CD1-CE2 3.99Å; L34-F74 HydrophobicContact CD1-CG 3.79Å; L34-F74 HydrophobicContact CD1-CZ 4.34Å
35V96.4Very high94Very high0 Ų023.6 Ų23.60%013%0.128CC..EExtended strand (participates in β ladder)trans-128.3121.4-177.9-179.20000109.9I11 I21 M24 L33 V41 Y42 Y44 V290I11-V35 HydrophobicContact CD1-CG1 3.87Å; I21-V35 HydrophobicContact CG1-CG1 4.11Å; I21-V35 HydrophobicContact CG2-CG1 3.83Å; M24-V35 HydrophobicContact CG-CB 4.38Å; M24-V35 HydrophobicContact CG-CG1 4.14Å; M24-V35 HydrophobicContact CG-CG2 4.06Å; M24-V35 HydrophobicContact SD-CG2 4.21Å; L33-V35 HydrophobicContact CD2-CG2 4.22Å; L33-V35 HydrophobicContact CG-CG2 4.06Å; V35-V41 CarbonylContact O-C 3.56Å; V35-V41 WeakPolarHBondContact O-CA 3.39Å; V35-Y42 PolarHBondContact N-O 2.85Å; V35-Y42 PolarHBondContact O-N 3.42Å; V35-Y44 HydrophobicContact CB-CD2 4.36Å; V35-Y44 HydrophobicContact CB-CE2 4.14Å; V35-Y44 HydrophobicContact CG2-CD2 3.81Å; V35-Y44 HydrophobicContact CG2-CE2 3.95Å; V35-V290 HydrophobicContact CG1-CG2 3.78Å; V35-V290 HydrophobicContact CG2-CG1 4.29Å; V35-V290 HydrophobicContact CG2-CG2 4.17Å
36A95.2Very high93.8Very high0 Ų022.7 Ų22.70%012%0.123CC..EExtended strand (participates in β ladder)trans-85.9117.7170.400000109.8I21 S22 C23 V62 I65I21-A36 WeakPolarHBondContact CA-O 3.34Å; S22-A36 PolarHBondContact N-O 3.47Å; C23-A36 WeakPolarHBondContact O-CB 3.41Å; C23-A36 PolarHBondContact O-N 3.24Å; A36-V62 HydrophobicContact CB-CB 4Å; A36-V62 HydrophobicContact CB-CG1 3.92Å; A36-V62 WeakPolarHBondContact CB-O 3.36Å; A36-I65 HydrophobicContact CB-CD1 3.53Å; A36-I65 HydrophobicContact CB-CG1 3.87Å; A36-I65 VanDerWaalsContact N-CD1 3.29Å
37A93.2Very high93.5Very high2 Ų225.8 Ų25.82%0.01714%0.14CC..EExtended strand (participates in β ladder)trans-136.8112.8173.300000108.9I11 C19 N40 Y42I11-A37 HydrophobicContact CB-CB 4.34Å; I11-A37 HydrophobicContact CD1-CB 4.06Å; I11-A37 HydrophobicContact CG2-CB 3.84Å; C19-A37 HydrophobicContact CB-CB 4.37Å; A37-N40 PolarHBondContact N-O 3Å; A37-N40 VanDerWaalsContact N-O 3.14Å; A37-N40 PolarHBondContact O-N 3.42Å; A37-Y42 HydrophobicContact CB-CD2 4.14Å; A37-Y42 HydrophobicContact CB-CE2 3.89Å
38G90.4Very high93.3Very high6 Ų630.6 Ų30.66%0.06217%0.166CC..THydrogen-bonded Turntrans64.6-135.5-174.300000111.3C19 N40 T61 V62C19-G38 VanDerWaalsContact SG-CA 3.57Å; C19-G38 PolarHBondContact SG-N 3.19Å; G38-N40 VanDerWaalsContact C-N 3.3Å; G38-N40 PolarHBondContact O-N 3.37Å; G38-T61 CarbonylContact O-C 3.55Å; G38-T61 VanDerWaalsContact O-CA 3.29Å; G38-T61 WeakPolarHBondContact O-CA 3.09Å; G38-V62 PolarHBondContact O-N 3.16Å
39C91.4Very high93.3Very high52 Ų5228.4 Ų28.435%0.35115%0.152SC..THydrogen-bonded Turntrans-81.8-3.8-179.556.60000114.9D60C39-D60 WeakPolarHBondContact CA-O 3.21Å
40N93.3Very high93.5Very high33 Ų3327.8 Ų27.818%0.17615%0.152CC..EExtended strand (participates in β ladder)trans-114155.5-173-67.9-32.8000111.7A37 G38 Y42 T54 H56A37-N40 PolarHBondContact N-O 3Å; A37-N40 VanDerWaalsContact N-O 3.14Å; A37-N40 PolarHBondContact O-N 3.42Å; G38-N40 VanDerWaalsContact C-N 3.3Å; G38-N40 PolarHBondContact O-N 3.37Å; N40-Y42 HydrophobicContact CB-CE2 3.95Å; N40-T54 HydrophobicContact CB-CG2 3.97Å; N40-H56 PolarHBondContact OD1-ND1 3.43Å
41V94.8Very high93.6Very high3 Ų331.7 Ų31.72%0.01817%0.171CC..EExtended strand (participates in β ladder)trans-113.6126.1169.11770000108.9L34 V35 L55 V62 I65 T76L34-V41 HydrophobicContact CB-CG1 4.38Å; L34-V41 HydrophobicContact CD2-CG1 4.34Å; V35-V41 CarbonylContact O-C 3.56Å; V35-V41 WeakPolarHBondContact O-CA 3.39Å; V41-L55 HydrophobicContact CB-CB 4.19Å; V41-L55 HydrophobicContact CB-CD1 4.29Å; V41-L55 HydrophobicContact CG1-CD1 4.16Å; V41-L55 PolarHBondContact N-O 2.93Å; V41-L55 PolarHBondContact O-N 3.37Å; V41-V62 HydrophobicContact CG2-CB 4.4Å; V41-V62 HydrophobicContact CG2-CG1 3.94Å; V41-V62 HydrophobicContact CG2-CG2 4.23Å; V41-I65 HydrophobicContact CB-CD1 4.27Å; V41-I65 HydrophobicContact CG1-CD1 3.51Å; V41-I65 HydrophobicContact CG2-CD1 3.83Å; V41-I65 HydrophobicContact CG2-CG1 4.28Å; V41-T76 HydrophobicContact CG2-CG2 3.88Å
42Y95.5Very high93.7Very high34 Ų3432.5 Ų32.513%0.13317%0.172CC..EExtended strand (participates in β ladder)trans-101.7130.2179.8-62.7-91.1000109.6I11 L34 V35 A37 N40 Y44 L51 T54I11-Y42 HydrophobicContact CD1-CD2 4.01Å; I11-Y42 HydrophobicContact CD1-CE2 4.45Å; I11-Y42 HydrophobicContact CD1-CG 4.32Å; I11-Y42 HydrophobicContact CG2-CD2 4.31Å; I11-Y42 HydrophobicContact CG2-CE2 3.7Å; L34-Y42 CarbonylContact C-O 3.59Å; L34-Y42 WeakPolarHBondContact CA-O 3.37Å; V35-Y42 PolarHBondContact N-O 2.85Å; V35-Y42 PolarHBondContact O-N 3.42Å; A37-Y42 HydrophobicContact CB-CD2 4.14Å; A37-Y42 HydrophobicContact CB-CE2 3.89Å; N40-Y42 HydrophobicContact CB-CE2 3.95Å; Y42-Y44 VanDerWaalsContact CB-CE2 3.49Å; Y42-Y44 HydrophobicContact CG-CE2 4.42Å; Y42-L51 HydrophobicContact CD1-CD1 3.78Å; Y42-L51 HydrophobicContact CD1-CD2 4.35Å; Y42-L51 HydrophobicContact CG-CD1 4.33Å; Y42-T54 HydrophobicContact CD1-CG2 3.85Å; Y42-T54 HydrophobicContact CE1-CG2 3.63Å
43V96Very high93.6Very high0 Ų035 Ų350%018%0.184CC..EExtended strand (participates in β ladder)trans-101.5112.7176.6-169.10000108.4E32 L34 I52 Q53 L55E32-V43 HydrophobicContact CB-CG1 4.39Å; E32-V43 HydrophobicContact CG-CG1 4.37Å; L34-V43 HydrophobicContact CD2-CB 3.98Å; L34-V43 HydrophobicContact CD2-CG1 3.83Å; L34-V43 HydrophobicContact CD2-CG2 3.51Å; V43-I52 HydrophobicContact CB-CB 4.36Å; V43-I52 HydrophobicContact CG1-CB 4.28Å; V43-I52 HydrophobicContact CG1-CD1 4.24Å; V43-I52 PolarHBondContact O-N 3.1Å; V43-Q53 HydrophobicContact CB-CB 4.47Å; V43-Q53 HydrophobicContact CG2-CB 4.28Å; V43-Q53 PolarHBondContact N-O 3.08Å; V43-L55 HydrophobicContact CG2-CD1 4Å; V43-L55 HydrophobicContact CG2-CD2 4.28Å; V43-L55 HydrophobicContact CG2-CG 4.01Å
44Y96Very high93.5Very high13 Ų1337 Ų375%0.05120%0.196CC..EExtended strand (participates in β ladder)trans-104.6140.4176.7-67.7-80.6000110.9W7 K9 I11 E32 L33 V35 Y42 T50 L51W7-Y44 HydrophobicContact CH2-CG 4.37Å; K9-Y44 HydrophobicContact CG-CE1 4.29Å; I11-Y44 HydrophobicContact CD1-CE2 4.1Å; I11-Y44 WeakPolarHBondContact CD1-OH 3.28Å; I11-Y44 WeakPolarHBondContact CG1-OH 3.29Å; E32-Y44 CarbonylContact C-O 3.59Å; E32-Y44 VanDerWaalsContact CA-O 3.32Å; E32-Y44 WeakPolarHBondContact CA-O 3.1Å; L33-Y44 PolarHBondContact N-O 3.49Å; L33-Y44 PolarHBondContact O-N 3.43Å; V35-Y44 HydrophobicContact CB-CD2 4.36Å; V35-Y44 HydrophobicContact CB-CE2 4.14Å; V35-Y44 HydrophobicContact CG2-CD2 3.81Å; V35-Y44 HydrophobicContact CG2-CE2 3.95Å; Y42-Y44 VanDerWaalsContact CB-CE2 3.49Å; Y42-Y44 HydrophobicContact CG-CE2 4.42Å; Y44-T50 WeakPolarHBondContact CA-O 3.46Å; Y44-L51 HydrophobicContact CD1-CB 4.21Å; Y44-L51 HydrophobicContact CD1-CD1 4.27Å; Y44-L51 HydrophobicContact CE1-CB 3.95Å; Y44-L51 HydrophobicContact CE1-CD1 3.9Å; Y44-L51 HydrophobicContact CE2-CD1 4.49Å
45K94.4Very high93.3Very high83 Ų8337.2 Ų37.236%0.36120%0.198SC..EExtended strand (participates in β ladder)trans-69.4129.5163.8-166.4-178.2176.8-165.20109D47 G49 T50 I52K45-D47 WeakPolarHBondContact CE-OD2 3.49Å; K45-D47 IonicContact NZ-OD2 3.47Å; K45-D47 PolarHBondContact O-N 2.89Å; K45-G49 WeakPolarHBondContact O-CA 3.28Å; K45-G49 PolarHBondContact O-N 3.31Å; K45-T50 WeakPolarHBondContact CB-OG1 3.37Å; K45-T50 PolarHBondContact N-O 3.08Å; K45-I52 HydrophobicContact CB-CD1 3.94Å; K45-I52 HydrophobicContact CB-CG1 4.09Å
46E91.5Very high93.1Very high1 Ų143.5 Ų43.51%0.00523%0.227CC..THydrogen-bonded Turntrans-66.3-38.9-171.9-163.6-77.713300113.2W7 Y26 G30 T31 D48 K275 R280W7-E46 PolarHBondContact NE1-O 3.48Å; Y26-E46 HydrophobicContact CD1-CG 4.3Å; Y26-E46 HydrophobicContact CE1-CG 3.66Å; G30-E46 VanDerWaalsContact O-CB 3.31Å; G30-E46 WeakPolarHBondContact O-CB 3.4Å; G30-E46 WeakPolarHBondContact O-CG 3.34Å; T31-E46 VanDerWaalsContact O-CB 3.24Å; T31-E46 WeakPolarHBondContact O-CB 3.32Å; T31-E46 PolarHBondContact O-N 2.86Å; E46-D48 PolarHBondContact O-N 2.83Å; E46-K275 HydrophobicContact CG-CD 4.06Å; E46-K275 WeakPolarHBondContact OE2-CE 3.12Å; E46-K275 IonicContact OE2-NZ 2.63Å; E46-K275 PolarHBondContact OE2-NZ 3.24Å; E46-R280 VanDerWaalsContact CD-NH1 3.26Å; E46-R280 PolarHBondContact O-NH1 3.45Å; E46-R280 WeakPolarHBondContact OE1-CD 3.4Å; E46-R280 IonicContact OE1-CZ 2.91Å; E46-R280 IonicContact OE1-NE 3.28Å; E46-R280 IonicContact OE1-NH1 3.24Å; E46-R280 PolarHBondContact OE1-NH1 2.85Å; E46-R280 IonicContact OE2-CZ 3.44Å; E46-R280 IonicContact OE2-NH1 2.88Å; E46-R280 PolarHBondContact OE2-NH1 3.45Å
47D88.9Confident92.7Very high78 Ų7845 Ų4542%0.41724%0.242SC..THydrogen-bonded Turntrans-56.4-52.6-172.6-65-40.9000112.9K45 R280K45-D47 WeakPolarHBondContact CE-OD2 3.49Å; K45-D47 IonicContact NZ-OD2 3.47Å; K45-D47 PolarHBondContact O-N 2.89Å; D47-R280 PolarHBondContact O-NH1 3.23Å; D47-R280 VanDerWaalsContact O-NH1 3.16Å
48D90.4Very high92.7Very high112 Ų11245.6 Ų45.660%0.59924%0.244SC*.THydrogen-bonded Turntrans-123.6-3.7-167.5-57.1-30.6000113.7E46 T50E46-D48 PolarHBondContact O-N 2.83Å; D48-T50 HydrophobicContact CB-CG2 4.31Å
49G91.6Very high92.8Very high0 Ų054.1 Ų54.10%028%0.28CS..  trans72.527.1-177.600000114.2K9 K45K9-G49 VanDerWaalsContact CE-O 3.25Å; K9-G49 WeakPolarHBondContact CE-O 3.34Å; K45-G49 WeakPolarHBondContact O-CA 3.28Å; K45-G49 PolarHBondContact O-N 3.31Å
50T94.1Very high92.9Very high70 Ų7055.3 Ų55.343%0.42928%0.283SS..  trans-75.5131.3174.556.40000110.5Y44 K45 D48 I52Y44-T50 WeakPolarHBondContact CA-O 3.46Å; K45-T50 WeakPolarHBondContact CB-OG1 3.37Å; K45-T50 PolarHBondContact N-O 3.08Å; D48-T50 HydrophobicContact CB-CG2 4.31Å; T50-I52 PolarHBondContact O-N 2.86Å
51L93.8Very high92.9Very high85 Ų8555.8 Ų55.845%0.44529%0.287SS..EExtended strand (participates in β ladder)trans-70.7118174.8-178.268.1000109.8Y42 Y44Y42-L51 HydrophobicContact CD1-CD1 3.78Å; Y42-L51 HydrophobicContact CD1-CD2 4.35Å; Y42-L51 HydrophobicContact CG-CD1 4.33Å; Y44-L51 HydrophobicContact CD1-CB 4.21Å; Y44-L51 HydrophobicContact CD1-CD1 4.27Å; Y44-L51 HydrophobicContact CE1-CB 3.95Å; Y44-L51 HydrophobicContact CE1-CD1 3.9Å; Y44-L51 HydrophobicContact CE2-CD1 4.49Å
52I93.5Very high93Very high83 Ų8355.7 Ų55.743%0.42629%0.286SS..EExtended strand (participates in β ladder)trans-82.8-55177.1-60.6172.9000109.2E32 V43 K45 T50E32-I52 HydrophobicContact CG-CD1 3.97Å; V43-I52 HydrophobicContact CB-CB 4.36Å; V43-I52 HydrophobicContact CG1-CB 4.28Å; V43-I52 HydrophobicContact CG1-CD1 4.24Å; V43-I52 PolarHBondContact O-N 3.1Å; K45-I52 HydrophobicContact CB-CD1 3.94Å; K45-I52 HydrophobicContact CB-CG1 4.09Å; T50-I52 PolarHBondContact O-N 2.86Å
53Q93.2Very high92.9Very high80 Ų8058.4 Ų58.437%0.37430%0.297SS..EExtended strand (participates in β ladder)trans-151.8148.8-174.6-168.7170.3-18.400110.9V43 L55 H90V43-Q53 HydrophobicContact CB-CB 4.47Å; V43-Q53 HydrophobicContact CG2-CB 4.28Å; V43-Q53 PolarHBondContact N-O 3.08Å; Q53-L55 HydrophobicContact CB-CD2 4.45Å; Q53-L55 HydrophobicContact CG-CD2 3.83Å; Q53-H90 PolarHBondContact OE1-CD2 3.21Å; Q53-H90 VanDerWaalsContact OE1-CD2 3.26Å
54T93.3Very high92.9Very high42 Ų4258.8 Ų58.826%0.25830%0.299SS..EExtended strand (participates in β ladder)trans-108.7126.2166.8-520000108.4N40 Y42 H56N40-T54 HydrophobicContact CB-CG2 3.97Å; Y42-T54 HydrophobicContact CD1-CG2 3.85Å; Y42-T54 HydrophobicContact CE1-CG2 3.63Å; T54-H56 VanDerWaalsContact CG2-CE1 3.44Å; T54-H56 WeakPolarHBondContact CG2-CE1 3.31Å
55L93.3Very high92.9Very high5 Ų558.5 Ų58.53%0.02630%0.299CS..EExtended strand (participates in β ladder)trans-95.9122.8-176.7-49.1179.7000110V41 V43 Q53 F74 W86 H90V41-L55 HydrophobicContact CB-CB 4.19Å; V41-L55 HydrophobicContact CB-CD1 4.29Å; V41-L55 HydrophobicContact CG1-CD1 4.16Å; V41-L55 PolarHBondContact N-O 2.93Å; V41-L55 PolarHBondContact O-N 3.37Å; V43-L55 HydrophobicContact CG2-CD1 4Å; V43-L55 HydrophobicContact CG2-CD2 4.28Å; V43-L55 HydrophobicContact CG2-CG 4.01Å; Q53-L55 HydrophobicContact CB-CD2 4.45Å; Q53-L55 HydrophobicContact CG-CD2 3.83Å; L55-F74 HydrophobicContact CD1-CE2 3.79Å; L55-F74 HydrophobicContact CD1-CZ 3.53Å; L55-W86 HydrophobicContact CB-CH2 3.96Å; L55-W86 HydrophobicContact CB-CZ2 4.4Å; L55-W86 HydrophobicContact CB-CZ3 4.13Å; L55-W86 HydrophobicContact CD1-CD2 4.34Å; L55-W86 HydrophobicContact CD1-CE3 4.24Å; L55-W86 HydrophobicContact CD1-CZ3 4.46Å; L55-H90 HydrophobicContact CD1-CB 4.21Å; L55-H90 HydrophobicContact CD2-CB 3.44Å; L55-H90 VanDerWaalsContact CD2-CB 3.44Å; L55-H90 HydrophobicContact CG-CB 4.45Å
56H91.4Very high92.9Very high132 Ų13255.8 Ų55.861%0.61129%0.289SS*.  trans-110.2124177.4-58.8-31000109N40 T54N40-H56 PolarHBondContact OD1-ND1 3.43Å; T54-H56 VanDerWaalsContact CG2-CE1 3.44Å; T54-H56 WeakPolarHBondContact CG2-CE1 3.31Å
57G86.4Confident93.1Very high31 Ų3156.4 Ų56.432%0.3229%0.291SS..  trans-173.5-27.3-179.500000114.6I84 K95G57-I84 WeakPolarHBondContact O-CD1 3.32Å; G57-K95 PolarHBondContact O-NZ 3.35Å; G57-K95 VanDerWaalsContact O-NZ 3.11Å
58H93.1Very high93.3Very high15 Ų1553 Ų537%0.06927%0.274CS..  trans-91.6148.5173.1-71.5-69.6000111.8V62 T76 S78 D80 N82H58-V62 HydrophobicContact CB-CG2 3.83Å; H58-T76 PolarHBondContact CD2-OG1 3.06Å; H58-T76 WeakPolarHBondContact NE2-CB 3.24Å; H58-T76 PolarHBondContact NE2-O 3.43Å; H58-T76 PolarHBondContact NE2-OG1 3.2Å; H58-S78 VanDerWaalsContact CG-CB 3.49Å; H58-S78 WeakPolarHBondContact ND1-CB 3.29Å; H58-D80 WeakPolarHBondContact CA-OD2 3.49Å; H58-D80 IonicContact CE1-OD1 2.72Å; H58-D80 IonicContact CG-OD2 3.9Å; H58-D80 IonicContact ND1-OD1 2.75Å; H58-D80 PolarHBondContact ND1-OD1 3.43Å; H58-D80 IonicContact ND1-OD2 2.66Å; H58-D80 PolarHBondContact ND1-OD2 2.92Å; H58-N82 PolarHBondContact CE1-O 2.95Å
59K92.6Very high93.1Very high185 Ų18551.9 Ų51.980%0.80427%0.271SS*.SBendtrans-98.3-6.5-179.7-65.3-176.8177.5-177.90113.6D80K59-D80 HydrophobicContact CB-CB 4.2Å; K59-D80 PolarHBondContact N-OD2 3.22Å
60D93.8Very high92.9Very high77 Ų7754.7 Ų54.741%0.41230%0.3SS..SBendtrans-148.4176.4-175.8-156.8-14.8000108.7C39 V62 S78 A79 D80C39-D60 WeakPolarHBondContact CA-O 3.21Å; D60-V62 PolarHBondContact O-N 2.83Å; D60-S78 PolarHBondContact O-OG 2.87Å; D60-A79 HydrophobicContact CB-CB 3.86Å; D60-A79 VanDerWaalsContact CG-CB 3.49Å; D60-A79 WeakPolarHBondContact OD2-CB 3.3Å; D60-D80 HydrophobicContact CB-CB 3.88Å
61T93.3Very high92.6Very high43 Ų4351.8 Ų51.826%0.26428%0.284SS..  trans-53.1127.3-173-52.40000111.8G38 Y63 S78 A79G38-T61 CarbonylContact O-C 3.55Å; G38-T61 VanDerWaalsContact O-CA 3.29Å; G38-T61 WeakPolarHBondContact O-CA 3.09Å; T61-Y63 HydrophobicContact CG2-CD1 4.17Å; T61-Y63 HydrophobicContact CG2-CE1 3.98Å; T61-Y63 PolarHBondContact O-N 3.44Å; T61-S78 CarbonylContact O-C 3.6Å; T61-S78 VanDerWaalsContact O-CA 3.29Å; T61-S78 WeakPolarHBondContact O-CA 3.43Å; T61-S78 WeakPolarHBondContact O-CB 3.4Å; T61-S78 PolarHBondContact O-OG 3Å; T61-A79 PolarHBondContact O-N 3.36Å
62V96.1Very high92.4Very high0 Ų053.9 Ų53.90%029%0.292CS..EExtended strand (participates in β ladder)trans-83.1110.5176.1-177.20000107.4S22 A36 G38 V41 H58 D60 I65 G77S22-V62 WeakPolarHBondContact CB-O 3.3Å; A36-V62 HydrophobicContact CB-CB 4Å; A36-V62 HydrophobicContact CB-CG1 3.92Å; A36-V62 WeakPolarHBondContact CB-O 3.36Å; G38-V62 PolarHBondContact O-N 3.16Å; V41-V62 HydrophobicContact CG2-CB 4.4Å; V41-V62 HydrophobicContact CG2-CG1 3.94Å; V41-V62 HydrophobicContact CG2-CG2 4.23Å; H58-V62 HydrophobicContact CB-CG2 3.83Å; D60-V62 PolarHBondContact O-N 2.83Å; V62-I65 HydrophobicContact CG1-CG1 4.27Å; V62-G77 CarbonylContact C-O 3.52Å; V62-G77 WeakPolarHBondContact CG1-O 3.3Å
63Y95.3Very high92.3Very high91 Ų9153 Ų5336%0.35728%0.283SS..EExtended strand (participates in β ladder)trans-84.1-29.1-176.4-71.7-47.3000113.2C23 T61 G77 A79 I102C23-Y63 VanDerWaalsContact CB-O 3.23Å; C23-Y63 WeakPolarHBondContact CB-O 3.5Å; T61-Y63 HydrophobicContact CG2-CD1 4.17Å; T61-Y63 HydrophobicContact CG2-CE1 3.98Å; T61-Y63 PolarHBondContact O-N 3.44Å; Y63-G77 PolarHBondContact N-O 3.06Å; Y63-A79 HydrophobicContact CD2-CB 4.25Å; Y63-A79 HydrophobicContact CE2-CB 3.54Å; Y63-I102 WeakPolarHBondContact CD2-O 3.49Å
64C94.6Very high92.3Very high9 Ų949.2 Ų49.26%0.06127%0.265CS..EExtended strand (participates in β ladder)trans-147.5144.9-172.448.40000112.5T76 G77C64-T76 WeakPolarHBondContact O-CA 3.44Å; C64-G77 PolarHBondContact N-O 3.42Å; C64-G77 PolarHBondContact O-N 3.15Å
65I96.3Very high92.5Very high7 Ų747.2 Ų47.24%0.03625%0.253CS..EExtended strand (participates in β ladder)trans-134.1136173.9-48.9173000107.5T25 L34 A36 V41 V62 F74 A75 T76T25-I65 HydrophobicContact CG2-CB 4.1Å; T25-I65 HydrophobicContact CG2-CG2 3.58Å; L34-I65 HydrophobicContact CB-CD1 4.29Å; L34-I65 HydrophobicContact CB-CG2 4.23Å; L34-I65 HydrophobicContact CD1-CG2 4.03Å; A36-I65 HydrophobicContact CB-CD1 3.53Å; A36-I65 HydrophobicContact CB-CG1 3.87Å; A36-I65 VanDerWaalsContact N-CD1 3.29Å; V41-I65 HydrophobicContact CB-CD1 4.27Å; V41-I65 HydrophobicContact CG1-CD1 3.51Å; V41-I65 HydrophobicContact CG2-CD1 3.83Å; V41-I65 HydrophobicContact CG2-CG1 4.28Å; V62-I65 HydrophobicContact CG1-CG1 4.27Å; I65-F74 HydrophobicContact CG2-CD2 4.28Å; I65-A75 WeakPolarHBondContact CA-O 3.5Å; I65-T76 HydrophobicContact CG1-CG2 4.24Å; I65-T76 HydrophobicContact CG2-CG2 4.12Å
66V95.3Very high92.7Very high25 Ų2547 Ų4715%0.15225%0.252CS..EExtended strand (participates in β ladder)trans-142.8140.5173.767.20000111.4F74 A75 L105 F107 L114V66-F74 CarbonylContact O-C 3.56Å; V66-F74 VanDerWaalsContact O-CA 3.27Å; V66-F74 WeakPolarHBondContact O-CA 3.31Å; V66-F74 WeakPolarHBondContact O-CB 3.22Å; V66-A75 HydrophobicContact CG1-CB 4.45Å; V66-A75 PolarHBondContact N-O 3.44Å; V66-A75 PolarHBondContact O-N 2.92Å; V66-L105 HydrophobicContact CB-CB 4.31Å; V66-L105 HydrophobicContact CG1-CB 3.48Å; V66-L105 VanDerWaalsContact CG1-CB 3.48Å; V66-L105 HydrophobicContact CG1-CD1 4.39Å; V66-F107 HydrophobicContact CB-CD2 4.44Å; V66-F107 HydrophobicContact CG1-CD2 3.64Å; V66-F107 HydrophobicContact CG1-CE2 3.87Å; V66-F107 HydrophobicContact CG2-CD2 4.2Å; V66-L114 HydrophobicContact CG1-CD1 4.07Å
67Y94.8Very high92.9Very high14 Ų1440.7 Ų40.76%0.05522%0.223CC..EExtended strand (participates in β ladder)trans-95.7143.2175.4-135.3-63.9000110.8K27 P28 L34 G71 R73 F74 F107K27-Y67 HydrophobicContact CB-CD2 4.17Å; K27-Y67 HydrophobicContact CB-CE2 3.89Å; K27-Y67 HydrophobicContact CD-CE2 4.34Å; K27-Y67 HydrophobicContact CG-CD2 4.3Å; K27-Y67 HydrophobicContact CG-CE1 4.41Å; K27-Y67 HydrophobicContact CG-CE2 3.71Å; P28-Y67 VanDerWaalsContact CD-CD1 3.46Å; P28-Y67 HydrophobicContact CG-CD1 3.95Å; P28-Y67 HydrophobicContact CG-CG 4.28Å; L34-Y67 HydrophobicContact CD1-CD2 3.83Å; L34-Y67 HydrophobicContact CD1-CE2 4.01Å; Y67-G71 VanDerWaalsContact CE1-CA 3.44Å; Y67-G71 WeakPolarHBondContact CE1-O 3.5Å; Y67-G71 PolarHBondContact OH-O 3.41Å; Y67-R73 WeakPolarHBondContact CD1-O 3.46Å; Y67-R73 WeakPolarHBondContact CE1-O 3.33Å; Y67-F74 HydrophobicContact CD1-CB 4.13Å; Y67-F74 HydrophobicContact CD2-CB 3.68Å; Y67-F74 HydrophobicContact CD2-CD1 4.34Å; Y67-F74 HydrophobicContact CD2-CG 4.26Å; Y67-F74 HydrophobicContact CE1-CB 4.3Å; Y67-F74 HydrophobicContact CE2-CB 3.93Å; Y67-F74 AromaticContact CE2-CD1 3.74Å; Y67-F74 HydrophobicContact CE2-CD1 3.74Å; Y67-F74 HydrophobicContact CE2-CG 4.13Å; Y67-F74 HydrophobicContact CG-CB 3.8Å; Y67-F74 AromaticContact CZ-CD1 3.91Å; Y67-F107 VanDerWaalsContact C-CD2 3.49Å
68A92.2Very high93.4Very high8 Ų839.2 Ų39.27%0.06621%0.208CC..  trans-72.4143.5166.700000110.6P28 G70 G71 R73 F107P28-A68 VanDerWaalsContact CG-O 3.23Å; P28-A68 WeakPolarHBondContact CG-O 3.25Å; A68-G70 PolarHBondContact O-N 3.29Å; A68-G70 VanDerWaalsContact O-N 3.07Å; A68-G71 PolarHBondContact O-N 3.16Å; A68-R73 VanDerWaalsContact CB-O 3.3Å; A68-R73 WeakPolarHBondContact CB-O 3.44Å; A68-R73 PolarHBondContact N-O 3.46Å; A68-F107 HydrophobicContact CB-CD1 4.04Å; A68-F107 HydrophobicContact CB-CD2 4.02Å; A68-F107 HydrophobicContact CB-CE1 4.16Å; A68-F107 HydrophobicContact CB-CE2 4.16Å; A68-F107 HydrophobicContact CB-CG 3.97Å; A68-F107 HydrophobicContact CB-CZ 4.23Å
69V87.6Confident93.6Very high88 Ų8839 Ų3953%0.53321%0.208SC..THydrogen-bonded Turntrans-56.1-32.3-174.3178.50000113.2P28 G71 P109P28-V69 WeakPolarHBondContact CB-O 3.35Å; P28-V69 WeakPolarHBondContact CG-O 3.44Å; V69-G71 VanDerWaalsContact C-N 3.27Å; V69-G71 PolarHBondContact O-N 3.22Å; V69-P109 HydrophobicContact CG2-CB 4Å
70G86.7Confident93.7Very high58 Ų5831.4 Ų31.460%0.59818%0.176SC*.THydrogen-bonded Turntrans-72.7-8178.300000115.7A68 E72A68-G70 PolarHBondContact O-N 3.29Å; A68-G70 VanDerWaalsContact O-N 3.07Å; G70-E72 PolarHBondContact O-N 3.1Å
71G87.5Confident93.8Very high10 Ų1032 Ų3210%0.10318%0.175CC..SBendtrans76.4-3.8-179.600000115.1Y67 A68 V69Y67-G71 VanDerWaalsContact CE1-CA 3.44Å; Y67-G71 WeakPolarHBondContact CE1-O 3.5Å; Y67-G71 PolarHBondContact OH-O 3.41Å; A68-G71 PolarHBondContact O-N 3.16Å; V69-G71 VanDerWaalsContact C-N 3.27Å; V69-G71 PolarHBondContact O-N 3.22Å
72E89.6Confident94Very high129 Ų12931.4 Ų31.460%0.60317%0.17SC*.SBendtrans-74.6-29.5-176.6-57.1-177.4175.100114G70 E88G70-E72 PolarHBondContact O-N 3.1Å; E72-E88 PolarHBondContact O-N 3.48Å
73R91.1Very high93.9Very high65 Ų6531.4 Ų31.425%0.24517%0.17CC..EExtended strand (participates in β ladder)trans-151.3152.7-172.1-61.8-176.7-175.5-176.2-2.6112.3Y67 A68 I85 W86 M127Y67-R73 WeakPolarHBondContact CD1-O 3.46Å; Y67-R73 WeakPolarHBondContact CE1-O 3.33Å; A68-R73 VanDerWaalsContact CB-O 3.3Å; A68-R73 WeakPolarHBondContact CB-O 3.44Å; A68-R73 PolarHBondContact N-O 3.46Å; R73-I85 HydrophobicContact CB-CG2 4.45Å; R73-W86 VanDerWaalsContact CA-O 3.24Å; R73-W86 WeakPolarHBondContact CA-O 3.35Å; R73-W86 WeakPolarHBondContact CB-O 3.15Å; R73-M127 VanDerWaalsContact CZ-CE 3.49Å
74F95.2Very high93.9Very high0 Ų027.5 Ų27.50%016%0.156CC..EExtended strand (participates in β ladder)trans-134.9162169.465-85.8000110.5L34 L55 I65 V66 Y67 T76 W86 T87 H90L34-F74 HydrophobicContact CD1-CB 4.27Å; L34-F74 HydrophobicContact CD1-CD1 4.16Å; L34-F74 HydrophobicContact CD1-CD2 3.7Å; L34-F74 HydrophobicContact CD1-CE1 4.42Å; L34-F74 HydrophobicContact CD1-CE2 3.99Å; L34-F74 HydrophobicContact CD1-CG 3.79Å; L34-F74 HydrophobicContact CD1-CZ 4.34Å; L55-F74 HydrophobicContact CD1-CE2 3.79Å; L55-F74 HydrophobicContact CD1-CZ 3.53Å; I65-F74 HydrophobicContact CG2-CD2 4.28Å; V66-F74 CarbonylContact O-C 3.56Å; V66-F74 VanDerWaalsContact O-CA 3.27Å; V66-F74 WeakPolarHBondContact O-CA 3.31Å; V66-F74 WeakPolarHBondContact O-CB 3.22Å; Y67-F74 HydrophobicContact CD1-CB 4.13Å; Y67-F74 HydrophobicContact CD2-CB 3.68Å; Y67-F74 HydrophobicContact CD2-CD1 4.34Å; Y67-F74 HydrophobicContact CD2-CG 4.26Å; Y67-F74 HydrophobicContact CE1-CB 4.3Å; Y67-F74 HydrophobicContact CE2-CB 3.93Å; Y67-F74 AromaticContact CE2-CD1 3.74Å; Y67-F74 HydrophobicContact CE2-CD1 3.74Å; Y67-F74 HydrophobicContact CE2-CG 4.13Å; Y67-F74 HydrophobicContact CG-CB 3.8Å; Y67-F74 AromaticContact CZ-CD1 3.91Å; F74-T76 HydrophobicContact CD2-CG2 4.25Å; F74-T76 HydrophobicContact CE2-CG2 4.21Å; F74-W86 HydrophobicContact CD1-CB 3.84Å; F74-W86 HydrophobicContact CD2-CB 3.86Å; F74-W86 AromaticContact CD2-CD1 3.66Å; F74-W86 AromaticContact CD2-CG 3.93Å; F74-W86 HydrophobicContact CD2-CG 3.93Å; F74-W86 HydrophobicContact CE1-CB 3.44Å; F74-W86 VanDerWaalsContact CE1-CB 3.44Å; F74-W86 HydrophobicContact CE1-CG 4.24Å; F74-W86 HydrophobicContact CE2-CB 3.45Å; F74-W86 VanDerWaalsContact CE2-CB 3.45Å; F74-W86 AromaticContact CE2-CD1 3.36Å; F74-W86 HydrophobicContact CE2-CD2 4.09Å; F74-W86 AromaticContact CE2-CG 3.34Å; F74-W86 HydrophobicContact CE2-CG 3.34Å; F74-W86 HydrophobicContact CG-CB 4.03Å; F74-W86 HydrophobicContact CZ-CB 3.22Å; F74-W86 HydrophobicContact CZ-CD2 4.16Å; F74-W86 AromaticContact CZ-CG 3.52Å; F74-W86 HydrophobicContact CZ-CG 3.52Å; F74-W86 PolarHBondContact N-O 2.83Å; F74-W86 VanDerWaalsContact N-O 3.13Å; F74-W86 PolarHBondContact O-N 3.04Å; F74-T87 VanDerWaalsContact CE1-O 3.22Å; F74-T87 WeakPolarHBondContact CE1-O 3.46Å; F74-H90 AromaticContact CE1-ND1 3.86Å
75A96Very high93.9Very high0 Ų027 Ų270%015%0.153CC..EExtended strand (participates in β ladder)trans-128.6145.8-179.400000111I65 V66 V83 I84 I85 L105 F107 L114I65-A75 WeakPolarHBondContact CA-O 3.5Å; V66-A75 HydrophobicContact CG1-CB 4.45Å; V66-A75 PolarHBondContact N-O 3.44Å; V66-A75 PolarHBondContact O-N 2.92Å; A75-V83 HydrophobicContact CB-CG1 4.43Å; A75-I84 CarbonylContact C-O 3.5Å; A75-I84 VanDerWaalsContact CA-O 3.29Å; A75-I84 WeakPolarHBondContact CA-O 3.41Å; A75-I85 HydrophobicContact CB-CG1 4.45Å; A75-L105 HydrophobicContact CB-CD1 3.98Å; A75-F107 HydrophobicContact CB-CE2 3.92Å; A75-F107 HydrophobicContact CB-CZ 4.02Å; A75-L114 HydrophobicContact CB-CD1 3.89Å; A75-L114 HydrophobicContact CB-CD2 3.63Å; A75-L114 HydrophobicContact CB-CG 4.43Å
76T97.5Very high93.9Very high0 Ų027.4 Ų27.40%015%0.153CC..EExtended strand (participates in β ladder)trans-124.6137.4178.560.10000109.9V41 H58 C64 I65 F74 V83 I84 W86V41-T76 HydrophobicContact CG2-CG2 3.88Å; H58-T76 PolarHBondContact CD2-OG1 3.06Å; H58-T76 WeakPolarHBondContact NE2-CB 3.24Å; H58-T76 PolarHBondContact NE2-O 3.43Å; H58-T76 PolarHBondContact NE2-OG1 3.2Å; C64-T76 WeakPolarHBondContact O-CA 3.44Å; I65-T76 HydrophobicContact CG1-CG2 4.24Å; I65-T76 HydrophobicContact CG2-CG2 4.12Å; F74-T76 HydrophobicContact CD2-CG2 4.25Å; F74-T76 HydrophobicContact CE2-CG2 4.21Å; T76-V83 CarbonylContact O-C 3.54Å; T76-V83 VanDerWaalsContact O-CA 3.27Å; T76-V83 WeakPolarHBondContact O-CA 3.26Å; T76-I84 PolarHBondContact N-O 3.16Å; T76-I84 PolarHBondContact O-N 3.17Å; T76-I84 PolarHBondContact OG1-O 2.99Å; T76-W86 VanDerWaalsContact CG2-NE1 3.29Å; T76-W86 PolarHBondContact OG1-NE1 3.49Å
77G96.3Very high93.7Very high0 Ų027.6 Ų27.60%016%0.155CC..EExtended strand (participates in β ladder)trans-125.2136.7-179.300000111V62 Y63 C64V62-G77 CarbonylContact C-O 3.52Å; V62-G77 WeakPolarHBondContact CG1-O 3.3Å; Y63-G77 PolarHBondContact N-O 3.06Å; C64-G77 PolarHBondContact N-O 3.42Å; C64-G77 PolarHBondContact O-N 3.15Å
78S96.9Very high93.4Very high0 Ų030.6 Ų30.60%017%0.169CC..EExtended strand (participates in β ladder)trans-131.7162-171.2169.80000113.5H58 D60 T61 D80 K81 N82 I102H58-S78 VanDerWaalsContact CG-CB 3.49Å; H58-S78 WeakPolarHBondContact ND1-CB 3.29Å; D60-S78 PolarHBondContact O-OG 2.87Å; T61-S78 CarbonylContact O-C 3.6Å; T61-S78 VanDerWaalsContact O-CA 3.29Å; T61-S78 WeakPolarHBondContact O-CA 3.43Å; T61-S78 WeakPolarHBondContact O-CB 3.4Å; T61-S78 PolarHBondContact O-OG 3Å; S78-D80 VanDerWaalsContact CB-OD1 3.31Å; S78-D80 WeakPolarHBondContact CB-OD1 3.42Å; S78-D80 PolarHBondContact O-N 3.22Å; S78-D80 PolarHBondContact OG-N 3.48Å; S78-D80 PolarHBondContact OG-OD1 3.26Å; S78-K81 PolarHBondContact O-N 3.32Å; S78-K81 VanDerWaalsContact O-N 3.16Å; S78-N82 PolarHBondContact N-O 3.24Å; S78-I102 PolarHBondContact O-N 2.77Å; S78-I102 VanDerWaalsContact O-N 3.1Å
79A96Very high93.3Very high10 Ų1036.7 Ų36.78%0.08320%0.196CC..THydrogen-bonded Turntrans-54.9-22.7163.600000113.2D60 T61 Y63 K81 S101D60-A79 HydrophobicContact CB-CB 3.86Å; D60-A79 VanDerWaalsContact CG-CB 3.49Å; D60-A79 WeakPolarHBondContact OD2-CB 3.3Å; T61-A79 PolarHBondContact O-N 3.36Å; Y63-A79 HydrophobicContact CD2-CB 4.25Å; Y63-A79 HydrophobicContact CE2-CB 3.54Å; A79-K81 PolarHBondContact O-N 3.15Å; A79-S101 PolarHBondContact O-OG 3.34Å
80D95.6Very high93.4Very high26 Ų2633.1 Ų33.114%0.13917%0.174CC..THydrogen-bonded Turntrans-716.2175.379.90.2000114H58 K59 D60 S78 N82H58-D80 WeakPolarHBondContact CA-OD2 3.49Å; H58-D80 IonicContact CE1-OD1 2.72Å; H58-D80 IonicContact CG-OD2 3.9Å; H58-D80 IonicContact ND1-OD1 2.75Å; H58-D80 PolarHBondContact ND1-OD1 3.43Å; H58-D80 IonicContact ND1-OD2 2.66Å; H58-D80 PolarHBondContact ND1-OD2 2.92Å; K59-D80 HydrophobicContact CB-CB 4.2Å; K59-D80 PolarHBondContact N-OD2 3.22Å; D60-D80 HydrophobicContact CB-CB 3.88Å; S78-D80 VanDerWaalsContact CB-OD1 3.31Å; S78-D80 WeakPolarHBondContact CB-OD1 3.42Å; S78-D80 PolarHBondContact O-N 3.22Å; S78-D80 PolarHBondContact OG-N 3.48Å; S78-D80 PolarHBondContact OG-OD1 3.26Å; D80-N82 PolarHBondContact O-N 3.14Å; D80-N82 PolarHBondContact O-ND2 3.13Å; D80-N82 VanDerWaalsContact O-ND2 3.09Å; D80-N82 WeakPolarHBondContact OD1-CA 3.29Å; D80-N82 WeakPolarHBondContact OD1-CB 3.34Å; D80-N82 PolarHBondContact OD1-N 3.13Å; D80-N82 PolarHBondContact OD1-ND2 3.25Å; D80-N82 PolarHBondContact OD2-ND2 3.38Å; D80-N82 VanDerWaalsContact OD2-ND2 3.14Å
81K96.5Very high93.6Very high89 Ų8936.6 Ų36.639%0.38718%0.175SC..SBendtrans687-179.9-44.6-177.2176.1-164.20114.4S78 A79 N97 H98 S99 D100S78-K81 PolarHBondContact O-N 3.32Å; S78-K81 VanDerWaalsContact O-N 3.16Å; A79-K81 PolarHBondContact O-N 3.15Å; K81-N97 CarbonylContact O-C 3.6Å; K81-N97 VanDerWaalsContact O-CA 3.26Å; K81-N97 WeakPolarHBondContact O-CA 3.21Å; K81-H98 PolarHBondContact O-N 2.96Å; K81-S99 PolarHBondContact NZ-O 3.2Å; K81-D100 WeakPolarHBondContact CB-O 3.41Å
82N96.2Very high93.7Very high30 Ų3038.3 Ų38.316%0.1619%0.193CC..EExtended strand (participates in β ladder)trans-100.5150.5-180-53.5-66.9000111.8H58 S78 D80 K95 F96 N97H58-N82 PolarHBondContact CE1-O 2.95Å; S78-N82 PolarHBondContact N-O 3.24Å; D80-N82 PolarHBondContact O-N 3.14Å; D80-N82 PolarHBondContact O-ND2 3.13Å; D80-N82 VanDerWaalsContact O-ND2 3.09Å; D80-N82 WeakPolarHBondContact OD1-CA 3.29Å; D80-N82 WeakPolarHBondContact OD1-CB 3.34Å; D80-N82 PolarHBondContact OD1-N 3.13Å; D80-N82 PolarHBondContact OD1-ND2 3.25Å; D80-N82 PolarHBondContact OD2-ND2 3.38Å; D80-N82 VanDerWaalsContact OD2-ND2 3.14Å; N82-K95 HydrophobicContact CB-CG 4.22Å; N82-K95 WeakPolarHBondContact ND2-CE 3.27Å; N82-F96 CarbonylContact C-O 3.49Å; N82-F96 VanDerWaalsContact CA-O 3.29Å; N82-F96 WeakPolarHBondContact CA-O 3.49Å; N82-N97 WeakPolarHBondContact OD1-CB 3.38Å
83V95.6Very high93.7Very high0 Ų035.9 Ų35.90%018%0.183CC..EExtended strand (participates in β ladder)trans-111.9128.5163-177.70000107.4A75 T76 K95 F96 I102 L105 L114A75-V83 HydrophobicContact CB-CG1 4.43Å; T76-V83 CarbonylContact O-C 3.54Å; T76-V83 VanDerWaalsContact O-CA 3.27Å; T76-V83 WeakPolarHBondContact O-CA 3.26Å; V83-K95 WeakPolarHBondContact O-CA 3.45Å; V83-F96 HydrophobicContact CB-CD1 4.32Å; V83-F96 HydrophobicContact CB-CD2 4.11Å; V83-F96 HydrophobicContact CB-CE1 3.82Å; V83-F96 HydrophobicContact CB-CE2 3.61Å; V83-F96 HydrophobicContact CB-CG 4.46Å; V83-F96 HydrophobicContact CB-CZ 3.46Å; V83-F96 VanDerWaalsContact CB-CZ 3.46Å; V83-F96 HydrophobicContact CG1-CE1 3.8Å; V83-F96 HydrophobicContact CG1-CE2 4.19Å; V83-F96 HydrophobicContact CG1-CZ 3.54Å; V83-F96 HydrophobicContact CG2-CD2 4.36Å; V83-F96 HydrophobicContact CG2-CE2 3.68Å; V83-F96 HydrophobicContact CG2-CZ 3.9Å; V83-F96 PolarHBondContact N-O 3.46Å; V83-F96 PolarHBondContact O-N 3.28Å; V83-F96 VanDerWaalsContact O-N 3.08Å; V83-I102 HydrophobicContact CG2-CD1 3.68Å; V83-I102 HydrophobicContact CG2-CG1 3.75Å; V83-I102 HydrophobicContact CG2-CG2 4.25Å; V83-L105 HydrophobicContact CG1-CD1 4.36Å; V83-L105 HydrophobicContact CG1-CD2 4.24Å; V83-L105 HydrophobicContact CG2-CD2 4.18Å; V83-L114 HydrophobicContact CG1-CD2 3.94Å
84I95.4Very high93.7Very high9 Ų935.8 Ų35.85%0.04619%0.187CC..EExtended strand (participates in β ladder)trans-112.8129.4173.8-57.3173.9000108.1G57 A75 T76 W86 L94 K95G57-I84 WeakPolarHBondContact O-CD1 3.32Å; A75-I84 CarbonylContact C-O 3.5Å; A75-I84 VanDerWaalsContact CA-O 3.29Å; A75-I84 WeakPolarHBondContact CA-O 3.41Å; T76-I84 PolarHBondContact N-O 3.16Å; T76-I84 PolarHBondContact O-N 3.17Å; T76-I84 PolarHBondContact OG1-O 2.99Å; I84-W86 HydrophobicContact CB-CZ2 4.11Å; I84-W86 HydrophobicContact CD1-CZ2 4.11Å; I84-W86 HydrophobicContact CG2-CD2 4Å; I84-W86 VanDerWaalsContact CG2-CE2 3.43Å; I84-W86 HydrophobicContact CG2-CG 4.4Å; I84-W86 HydrophobicContact CG2-CH2 4.34Å; I84-W86 HydrophobicContact CG2-CZ2 3.63Å; I84-W86 PolarHBondContact O-NE1 3.31Å; I84-L94 CarbonylContact C-O 3.51Å; I84-L94 WeakPolarHBondContact CA-O 3.35Å; I84-K95 HydrophobicContact CD1-CD 4.22Å; I84-K95 HydrophobicContact CG1-CB 4.34Å; I84-K95 HydrophobicContact CG1-CD 4.05Å; I84-K95 HydrophobicContact CG1-CG 3.99Å
85I94Very high93.6Very high0 Ų040.4 Ų40.40%021%0.207CC..EExtended strand (participates in β ladder)trans-99.6129.5172.6-53.6-173.5000108R73 A75 G92 I93 L94 F96 L114 W125R73-I85 HydrophobicContact CB-CG2 4.45Å; A75-I85 HydrophobicContact CB-CG1 4.45Å; I85-G92 CarbonylContact O-C 3.49Å; I85-I93 HydrophobicContact CB-CG1 4.36Å; I85-I93 HydrophobicContact CG2-CD1 4.16Å; I85-I93 HydrophobicContact CG2-CG1 4.23Å; I85-I93 WeakPolarHBondContact O-CG1 3.14Å; I85-I93 PolarHBondContact O-N 3.37Å; I85-L94 HydrophobicContact CB-CB 4.27Å; I85-L94 HydrophobicContact CD1-CD2 4Å; I85-L94 HydrophobicContact CG1-CB 4.5Å; I85-L94 PolarHBondContact N-O 3.09Å; I85-L94 PolarHBondContact O-N 3.09Å; I85-F96 HydrophobicContact CD1-CE1 4.15Å; I85-F96 HydrophobicContact CG1-CE1 4.33Å; I85-L114 HydrophobicContact CD1-CD2 4.04Å; I85-L114 HydrophobicContact CG1-CD2 4.2Å; I85-W125 HydrophobicContact CD1-CD2 3.46Å; I85-W125 VanDerWaalsContact CD1-CD2 3.46Å; I85-W125 HydrophobicContact CD1-CE3 3.35Å; I85-W125 HydrophobicContact CD1-CG 4.32Å; I85-W125 HydrophobicContact CD1-CH2 3.4Å; I85-W125 VanDerWaalsContact CD1-CH2 3.4Å; I85-W125 HydrophobicContact CD1-CZ2 3.54Å; I85-W125 HydrophobicContact CD1-CZ3 3.33Å; I85-W125 HydrophobicContact CG2-CH2 4.43Å
86W95Very high93.5Very high14 Ų1441.6 Ų41.65%0.05321%0.212CC..EExtended strand (participates in β ladder)trans-113.5149.5-176.1-53.984.4000110.6L55 R73 F74 T76 I84 H90 E91 G92L55-W86 HydrophobicContact CB-CH2 3.96Å; L55-W86 HydrophobicContact CB-CZ2 4.4Å; L55-W86 HydrophobicContact CB-CZ3 4.13Å; L55-W86 HydrophobicContact CD1-CD2 4.34Å; L55-W86 HydrophobicContact CD1-CE3 4.24Å; L55-W86 HydrophobicContact CD1-CZ3 4.46Å; R73-W86 VanDerWaalsContact CA-O 3.24Å; R73-W86 WeakPolarHBondContact CA-O 3.35Å; R73-W86 WeakPolarHBondContact CB-O 3.15Å; F74-W86 HydrophobicContact CD1-CB 3.84Å; F74-W86 HydrophobicContact CD2-CB 3.86Å; F74-W86 AromaticContact CD2-CD1 3.66Å; F74-W86 AromaticContact CD2-CG 3.93Å; F74-W86 HydrophobicContact CD2-CG 3.93Å; F74-W86 HydrophobicContact CE1-CB 3.44Å; F74-W86 VanDerWaalsContact CE1-CB 3.44Å; F74-W86 HydrophobicContact CE1-CG 4.24Å; F74-W86 HydrophobicContact CE2-CB 3.45Å; F74-W86 VanDerWaalsContact CE2-CB 3.45Å; F74-W86 AromaticContact CE2-CD1 3.36Å; F74-W86 HydrophobicContact CE2-CD2 4.09Å; F74-W86 AromaticContact CE2-CG 3.34Å; F74-W86 HydrophobicContact CE2-CG 3.34Å; F74-W86 HydrophobicContact CG-CB 4.03Å; F74-W86 HydrophobicContact CZ-CB 3.22Å; F74-W86 HydrophobicContact CZ-CD2 4.16Å; F74-W86 AromaticContact CZ-CG 3.52Å; F74-W86 HydrophobicContact CZ-CG 3.52Å; F74-W86 PolarHBondContact N-O 2.83Å; F74-W86 VanDerWaalsContact N-O 3.13Å; F74-W86 PolarHBondContact O-N 3.04Å; T76-W86 VanDerWaalsContact CG2-NE1 3.29Å; T76-W86 PolarHBondContact OG1-NE1 3.49Å; I84-W86 HydrophobicContact CB-CZ2 4.11Å; I84-W86 HydrophobicContact CD1-CZ2 4.11Å; I84-W86 HydrophobicContact CG2-CD2 4Å; I84-W86 VanDerWaalsContact CG2-CE2 3.43Å; I84-W86 HydrophobicContact CG2-CG 4.4Å; I84-W86 HydrophobicContact CG2-CH2 4.34Å; I84-W86 HydrophobicContact CG2-CZ2 3.63Å; I84-W86 PolarHBondContact O-NE1 3.31Å; W86-H90 VanDerWaalsContact CE3-O 3.31Å; W86-E91 CarbonylContact C-O 3.53Å; W86-E91 VanDerWaalsContact CA-O 3.24Å; W86-E91 WeakPolarHBondContact CA-O 3.29Å; W86-G92 VanDerWaalsContact CE3-N 3.29Å
87T93Very high93.3Very high29 Ų2946 Ų4618%0.17824%0.236CC..EExtended strand (participates in β ladder)trans-78.9167.3168.260.70000110.9F74 Q89 H90 E91 I93F74-T87 VanDerWaalsContact CE1-O 3.22Å; F74-T87 WeakPolarHBondContact CE1-O 3.46Å; T87-Q89 PolarHBondContact O-N 2.94Å; T87-Q89 PolarHBondContact OG1-N 3.4Å; T87-H90 WeakPolarHBondContact O-CA 3.45Å; T87-H90 PolarHBondContact O-N 3.34Å; T87-E91 PolarHBondContact N-O 2.99Å; T87-E91 WeakPolarHBondContact OG1-CB 3.37Å; T87-E91 PolarHBondContact OG1-N 3.09Å; T87-E91 VanDerWaalsContact OG1-N 3.08Å; T87-E91 PolarHBondContact OG1-O 3.25Å; T87-I93 HydrophobicContact CG2-CD1 4.29Å; T87-I93 HydrophobicContact CG2-CG1 4.37Å; T87-I93 HydrophobicContact CG2-CG2 3.49Å; T87-I93 VanDerWaalsContact CG2-CG2 3.49Å
88E88.4Confident93.2Very high77 Ų7746.2 Ų46.236%0.3624%0.237SC..THydrogen-bonded Turntrans-53.4-34168.2-173.6179.5-170.800112.9K27 E72 H90K27-E88 WeakPolarHBondContact CE-OE1 3.37Å; K27-E88 IonicContact NZ-OE1 3.59Å; K27-E88 PolarHBondContact NZ-OE1 3.44Å; E72-E88 PolarHBondContact O-N 3.48Å; E88-H90 PolarHBondContact O-CE1 3.33Å; E88-H90 PolarHBondContact O-N 2.94Å; E88-H90 PolarHBondContact O-ND1 3.29Å
89Q88.8Confident93Very high136 Ų13649.5 Ų49.564%0.63626%0.26SS*.THydrogen-bonded Turntrans-80.914.2176-54.6-57.7-21.900113.6T87 E91T87-Q89 PolarHBondContact O-N 2.94Å; T87-Q89 PolarHBondContact OG1-N 3.4Å; Q89-E91 VanDerWaalsContact C-N 3.32Å; Q89-E91 PolarHBondContact O-N 2.88Å
90H91Very high92.9Very high13 Ų1351.3 Ų51.36%0.0627%0.268CS..SBendtrans62.430178-34-62.6000115.5E32 Q53 L55 F74 W86 T87 E88E32-H90 IonicContact OE2-CE1 3.56Å; E32-H90 PolarHBondContact OE2-CE1 3.1Å; E32-H90 VanDerWaalsContact OE2-CE1 3.3Å; Q53-H90 PolarHBondContact OE1-CD2 3.21Å; Q53-H90 VanDerWaalsContact OE1-CD2 3.26Å; L55-H90 HydrophobicContact CD1-CB 4.21Å; L55-H90 HydrophobicContact CD2-CB 3.44Å; L55-H90 VanDerWaalsContact CD2-CB 3.44Å; L55-H90 HydrophobicContact CG-CB 4.45Å; F74-H90 AromaticContact CE1-ND1 3.86Å; W86-H90 VanDerWaalsContact CE3-O 3.31Å; T87-H90 WeakPolarHBondContact O-CA 3.45Å; T87-H90 PolarHBondContact O-N 3.34Å; E88-H90 PolarHBondContact O-CE1 3.33Å; E88-H90 PolarHBondContact O-N 2.94Å; E88-H90 PolarHBondContact O-ND1 3.29Å
91E90.6Very high92.9Very high131 Ų13151.3 Ų51.361%0.61227%0.27SS*.  trans-95.9129.5173.3-61.1-175.8157.900111.3W86 T87 Q89 I93W86-E91 CarbonylContact C-O 3.53Å; W86-E91 VanDerWaalsContact CA-O 3.24Å; W86-E91 WeakPolarHBondContact CA-O 3.29Å; T87-E91 PolarHBondContact N-O 2.99Å; T87-E91 WeakPolarHBondContact OG1-CB 3.37Å; T87-E91 PolarHBondContact OG1-N 3.09Å; T87-E91 VanDerWaalsContact OG1-N 3.08Å; T87-E91 PolarHBondContact OG1-O 3.25Å; Q89-E91 VanDerWaalsContact C-N 3.32Å; Q89-E91 PolarHBondContact O-N 2.88Å; E91-I93 PolarHBondContact O-N 3.26Å
92G89.8Confident92.9Very high47 Ų4747 Ų4749%0.48525%0.252SS..EExtended strand (participates in β ladder)trans-77106.1177.400000111.8I85 W86I85-G92 CarbonylContact O-C 3.49Å; W86-G92 VanDerWaalsContact CE3-N 3.29Å
93I89.5Confident92.9Very high78 Ų7848.5 Ų48.540%0.426%0.257SS..EExtended strand (participates in β ladder)trans-93.7-30-173.548.8164.2000114.2I85 T87 E91I85-I93 HydrophobicContact CB-CG1 4.36Å; I85-I93 HydrophobicContact CG2-CD1 4.16Å; I85-I93 HydrophobicContact CG2-CG1 4.23Å; I85-I93 WeakPolarHBondContact O-CG1 3.14Å; I85-I93 PolarHBondContact O-N 3.37Å; T87-I93 HydrophobicContact CG2-CD1 4.29Å; T87-I93 HydrophobicContact CG2-CG1 4.37Å; T87-I93 HydrophobicContact CG2-CG2 3.49Å; T87-I93 VanDerWaalsContact CG2-CG2 3.49Å; E91-I93 PolarHBondContact O-N 3.26Å
94L90.7Very high92.8Very high63 Ų6349.2 Ų49.233%0.3326%0.262SS..EExtended strand (participates in β ladder)trans-141.1133.4-177.2-173.372.5000109.4I84 I85 F96 W125I84-L94 CarbonylContact C-O 3.51Å; I84-L94 WeakPolarHBondContact CA-O 3.35Å; I85-L94 HydrophobicContact CB-CB 4.27Å; I85-L94 HydrophobicContact CD1-CD2 4Å; I85-L94 HydrophobicContact CG1-CB 4.5Å; I85-L94 PolarHBondContact N-O 3.09Å; I85-L94 PolarHBondContact O-N 3.09Å; L94-F96 HydrophobicContact CD2-CD1 4.15Å; L94-F96 HydrophobicContact CG-CD1 4.42Å; L94-W125 HydrophobicContact CD2-CZ2 3.81Å
95K92.4Very high92.9Very high97 Ų9749.5 Ų49.542%0.42226%0.264SS..EExtended strand (participates in β ladder)trans-127.7123.6174-176.6168.3-175.2162.90109.3G57 N82 V83 I84G57-K95 PolarHBondContact O-NZ 3.35Å; G57-K95 VanDerWaalsContact O-NZ 3.11Å; N82-K95 HydrophobicContact CB-CG 4.22Å; N82-K95 WeakPolarHBondContact ND2-CE 3.27Å; V83-K95 WeakPolarHBondContact O-CA 3.45Å; I84-K95 HydrophobicContact CD1-CD 4.22Å; I84-K95 HydrophobicContact CG1-CB 4.34Å; I84-K95 HydrophobicContact CG1-CD 4.05Å; I84-K95 HydrophobicContact CG1-CG 3.99Å
96F93.6Very high92.9Very high24 Ų2450 Ų5011%0.10527%0.268CS..EExtended strand (participates in β ladder)trans-134161.3173.763.1-92.8000110.4N82 V83 I85 L94 H98 L114 W125 V132N82-F96 CarbonylContact C-O 3.49Å; N82-F96 VanDerWaalsContact CA-O 3.29Å; N82-F96 WeakPolarHBondContact CA-O 3.49Å; V83-F96 HydrophobicContact CB-CD1 4.32Å; V83-F96 HydrophobicContact CB-CD2 4.11Å; V83-F96 HydrophobicContact CB-CE1 3.82Å; V83-F96 HydrophobicContact CB-CE2 3.61Å; V83-F96 HydrophobicContact CB-CG 4.46Å; V83-F96 HydrophobicContact CB-CZ 3.46Å; V83-F96 VanDerWaalsContact CB-CZ 3.46Å; V83-F96 HydrophobicContact CG1-CE1 3.8Å; V83-F96 HydrophobicContact CG1-CE2 4.19Å; V83-F96 HydrophobicContact CG1-CZ 3.54Å; V83-F96 HydrophobicContact CG2-CD2 4.36Å; V83-F96 HydrophobicContact CG2-CE2 3.68Å; V83-F96 HydrophobicContact CG2-CZ 3.9Å; V83-F96 PolarHBondContact N-O 3.46Å; V83-F96 PolarHBondContact O-N 3.28Å; V83-F96 VanDerWaalsContact O-N 3.08Å; I85-F96 HydrophobicContact CD1-CE1 4.15Å; I85-F96 HydrophobicContact CG1-CE1 4.33Å; L94-F96 HydrophobicContact CD2-CD1 4.15Å; L94-F96 HydrophobicContact CG-CD1 4.42Å; F96-H98 AromaticContact CD2-NE2 3.99Å; F96-H98 AromaticContact CE2-CD2 3.98Å; F96-H98 AromaticContact CE2-NE2 3.5Å; F96-H98 WeakPolarHBondContact CE2-NE2 3.36Å; F96-L114 HydrophobicContact CZ-CD2 4.28Å; F96-W125 HydrophobicContact CE1-CG 4.4Å; F96-W125 HydrophobicContact CZ-CB 4.4Å; F96-V132 HydrophobicContact CB-CG2 4.34Å; F96-V132 HydrophobicContact CD1-CG2 4.05Å; F96-V132 HydrophobicContact CD2-CG2 3.7Å; F96-V132 HydrophobicContact CE1-CG2 4.21Å; F96-V132 HydrophobicContact CE2-CG1 4.16Å; F96-V132 HydrophobicContact CE2-CG2 3.86Å; F96-V132 HydrophobicContact CG-CG2 3.78Å; F96-V132 HydrophobicContact CZ-CG2 4.1Å
97N94Very high92.9Very high93 Ų9350.2 Ų50.250%0.49727%0.27SS..EExtended strand (participates in β ladder)trans-121.4153.2-17371.1-46.6000113.1K81 N82 K134K81-N97 CarbonylContact O-C 3.6Å; K81-N97 VanDerWaalsContact O-CA 3.26Å; K81-N97 WeakPolarHBondContact O-CA 3.21Å; N82-N97 WeakPolarHBondContact OD1-CB 3.38Å; N97-K134 PolarHBondContact O-NZ 2.97Å
98H94.1Very high92.9Very high4 Ų448.9 Ų48.92%0.01926%0.261CS..  trans-108.1174.7170.2-77.6-106.5000111.4K81 F96 D100 I102 S116 A118 D121K81-H98 PolarHBondContact O-N 2.96Å; F96-H98 AromaticContact CD2-NE2 3.99Å; F96-H98 AromaticContact CE2-CD2 3.98Å; F96-H98 AromaticContact CE2-NE2 3.5Å; F96-H98 WeakPolarHBondContact CE2-NE2 3.36Å; H98-D100 VanDerWaalsContact C-N 3.3Å; H98-I102 HydrophobicContact CB-CD1 3.63Å; H98-I102 WeakPolarHBondContact CD2-CD1 3.29Å; H98-I102 VanDerWaalsContact CG-CD1 3.49Å; H98-S116 PolarHBondContact CE1-OG 3.28Å; H98-S116 PolarHBondContact NE2-OG 3.13Å; H98-S116 VanDerWaalsContact NE2-OG 3.14Å; H98-A118 HydrophobicContact CB-CB 3.72Å; H98-D121 IonicContact CE1-OD1 3.34Å; H98-D121 IonicContact CG-OD1 2.78Å; H98-D121 IonicContact ND1-OD1 3.83Å; H98-D121 PolarHBondContact ND1-OD1 3.48Å
99S91.9Very high92.9Very high69 Ų6947.2 Ų47.248%0.48326%0.257SS..SBendtrans-73.9-24.7177.159.50000112.8K81 T120 D121K81-S99 PolarHBondContact NZ-O 3.2Å; S99-T120 PolarHBondContact OG-OG1 2.86Å; S99-T120 VanDerWaalsContact OG-OG1 3.1Å; S99-D121 PolarHBondContact OG-OD2 3.14Å
100D95.1Very high92.9Very high49 Ų4946 Ų4626%0.26225%0.254SS..SBendtrans-138.4179.4-177.3-146.5-27.4000111.7K81 H98 A118 V119K81-D100 WeakPolarHBondContact CB-O 3.41Å; H98-D100 VanDerWaalsContact C-N 3.3Å; D100-A118 HydrophobicContact CB-CB 4.45Å; D100-V119 HydrophobicContact CB-CB 3.94Å; D100-V119 HydrophobicContact CB-CG2 4.43Å
101S95.1Very high92.7Very high25 Ų2547.9 Ų47.918%0.17527%0.269CS..  trans-61.4135.5-179.2-59.40000111.8A79 Q103 A118 V119A79-S101 PolarHBondContact O-OG 3.34Å; S101-Q103 PolarHBondContact O-N 3.48Å; S101-Q103 PolarHBondContact O-NE2 3.32Å; S101-A118 CarbonylContact O-C 3.48Å; S101-A118 VanDerWaalsContact O-CA 3.24Å; S101-A118 WeakPolarHBondContact O-CA 3.39Å; S101-V119 PolarHBondContact O-N 2.88Å
102I97Very high92.5Very high0 Ų044.3 Ų44.30%026%0.258CS..EExtended strand (participates in β ladder)trans-75.7119177.7-49-60.7000109.3Y63 S78 V83 H98 L105 A118Y63-I102 WeakPolarHBondContact CD2-O 3.49Å; S78-I102 PolarHBondContact O-N 2.77Å; S78-I102 VanDerWaalsContact O-N 3.1Å; V83-I102 HydrophobicContact CG2-CD1 3.68Å; V83-I102 HydrophobicContact CG2-CG1 3.75Å; V83-I102 HydrophobicContact CG2-CG2 4.25Å; H98-I102 HydrophobicContact CB-CD1 3.63Å; H98-I102 WeakPolarHBondContact CD2-CD1 3.29Å; H98-I102 VanDerWaalsContact CG-CD1 3.49Å; I102-L105 HydrophobicContact CG2-CD2 3.82Å; I102-L105 HydrophobicContact CG2-CG 4.18Å; I102-A118 HydrophobicContact CD1-CB 4.08Å
103Q95.4Very high92.5Very high60 Ų6043.1 Ų43.128%0.2824%0.241SC..EExtended strand (participates in β ladder)trans-92-44-177.8-61.9-57-66.500112S101 C117 V119 I141S101-Q103 PolarHBondContact O-N 3.48Å; S101-Q103 PolarHBondContact O-NE2 3.32Å; Q103-C117 PolarHBondContact N-O 3.28Å; Q103-V119 HydrophobicContact CG-CG2 3.74Å; Q103-I141 WeakPolarHBondContact CG-O 3.06Å
104C94.7Very high92.7Very high15 Ų1539.4 Ų39.410%0.10122%0.222CC..EExtended strand (participates in β ladder)trans-148.5154.4-17755.60000111.8C117 S143 C144C104-C117 PolarHBondContact N-O 3.32Å; C104-C117 WeakPolarHBondContact O-CB 3.38Å; C104-C117 PolarHBondContact O-N 3.43Å; C104-C117 WeakPolarHBondContact SG-CB 3.39Å; C104-S143 WeakPolarHBondContact SG-CA 3.29Å; C104-C144 PolarHBondContact SG-N 3.28Å; C104-C144 PolarHBondContact SG-SG 2.76Å
105L96.4Very high93Very high15 Ų1536.4 Ų36.48%0.07921%0.206CC..EExtended strand (participates in β ladder)trans-132.8145.1177.8-65.8177.5000109.1V66 A75 V83 I102 L114 L115 S116V66-L105 HydrophobicContact CB-CB 4.31Å; V66-L105 HydrophobicContact CG1-CB 3.48Å; V66-L105 VanDerWaalsContact CG1-CB 3.48Å; V66-L105 HydrophobicContact CG1-CD1 4.39Å; A75-L105 HydrophobicContact CB-CD1 3.98Å; V83-L105 HydrophobicContact CG1-CD1 4.36Å; V83-L105 HydrophobicContact CG1-CD2 4.24Å; V83-L105 HydrophobicContact CG2-CD2 4.18Å; I102-L105 HydrophobicContact CG2-CD2 3.82Å; I102-L105 HydrophobicContact CG2-CG 4.18Å; L105-L114 HydrophobicContact CB-CD1 4.36Å; L105-L114 HydrophobicContact CD2-CD1 4.44Å; L105-L115 WeakPolarHBondContact CA-O 3.29Å; L105-S116 VanDerWaalsContact CD2-CA 3.47Å; L105-S116 VanDerWaalsContact CD2-CB 3.5Å
106A95.2Very high93.2Very high12 Ų1231.8 Ų31.810%0.09919%0.186CC..EExtended strand (participates in β ladder)trans-149.4131172.400000111.2L115 W146A106-L115 PolarHBondContact N-O 3.41Å; A106-L115 WeakPolarHBondContact O-CB 3.47Å; A106-L115 PolarHBondContact O-N 3.33Å; A106-W146 PolarHBondContact O-NE1 3.42Å; A106-W146 VanDerWaalsContact O-NE1 3.11Å
107F94.5Very high93.3Very high18 Ų1830.6 Ų30.68%0.07918%0.181CC..EExtended strand (participates in β ladder)trans-83.8138.4169.6-81.8-78.3000110.8V66 Y67 A68 A75 S112 T113 L114 W146V66-F107 HydrophobicContact CB-CD2 4.44Å; V66-F107 HydrophobicContact CG1-CD2 3.64Å; V66-F107 HydrophobicContact CG1-CE2 3.87Å; V66-F107 HydrophobicContact CG2-CD2 4.2Å; Y67-F107 VanDerWaalsContact C-CD2 3.49Å; A68-F107 HydrophobicContact CB-CD1 4.04Å; A68-F107 HydrophobicContact CB-CD2 4.02Å; A68-F107 HydrophobicContact CB-CE1 4.16Å; A68-F107 HydrophobicContact CB-CE2 4.16Å; A68-F107 HydrophobicContact CB-CG 3.97Å; A68-F107 HydrophobicContact CB-CZ 4.23Å; A75-F107 HydrophobicContact CB-CE2 3.92Å; A75-F107 HydrophobicContact CB-CZ 4.02Å; F107-S112 WeakPolarHBondContact CD1-O 3.44Å; F107-T113 CarbonylContact C-O 3.53Å; F107-T113 WeakPolarHBondContact CA-O 3.19Å; F107-L114 HydrophobicContact CD1-CB 3.97Å; F107-L114 HydrophobicContact CD1-CD1 4.16Å; F107-L114 HydrophobicContact CD2-CD1 4.02Å; F107-L114 HydrophobicContact CE1-CB 3.62Å; F107-L114 HydrophobicContact CE1-CD1 3.97Å; F107-L114 HydrophobicContact CE1-CG 4.27Å; F107-L114 HydrophobicContact CE2-CD1 3.81Å; F107-L114 HydrophobicContact CG-CD1 4.19Å; F107-L114 HydrophobicContact CZ-CB 4.15Å; F107-L114 HydrophobicContact CZ-CD1 3.78Å; F107-L114 HydrophobicContact CZ-CD2 4.39Å; F107-L114 HydrophobicContact CZ-CG 4.33Å; F107-W146 VanDerWaalsContact C-CD1 3.48Å
108C92.3Very high93.4Very high0 Ų026.2 Ų26.20%016%0.158CC..  trans-64.7126.4166.8175.40000108.9I110 S111 S112 T113 W146 G150C108-I110 PolarHBondContact O-N 2.76Å; C108-S111 WeakPolarHBondContact CB-OG 3.25Å; C108-S111 PolarHBondContact SG-OG 3.5Å; C108-S112 WeakPolarHBondContact O-CA 3.49Å; C108-S112 PolarHBondContact O-N 3.33Å; C108-S112 VanDerWaalsContact O-N 3.11Å; C108-T113 PolarHBondContact N-O 3.11Å; C108-W146 HydrophobicContact CB-CD2 3.84Å; C108-W146 HydrophobicContact CB-CE3 4.04Å; C108-W146 HydrophobicContact CB-CG 4.33Å; C108-W146 HydrophobicContact CB-CH2 4.29Å; C108-W146 HydrophobicContact CB-CZ2 4.1Å; C108-W146 HydrophobicContact CB-CZ3 4.26Å; C108-G150 VanDerWaalsContact SG-CA 3.53Å
109P88.5Confident93.4Very high43 Ų4326.9 Ų26.928%0.27916%0.162SC..THydrogen-bonded Turntrans-67.1-20.8-172.724.3-33.8000114.2V69 T147 P148V69-P109 HydrophobicContact CG2-CB 4Å; P109-T147 WeakPolarHBondContact CG-O 3.46Å; P109-P148 VanDerWaalsContact CG-O 3.28Å; P109-P148 WeakPolarHBondContact CG-O 3.04Å
110I89.7Confident93.5Very high110 Ų11026.4 Ų26.456%0.56416%0.156SC*.THydrogen-bonded Turntrans-102.7-55.8-178.5-56.3-167.2000111.7C108 S112 N149C108-I110 PolarHBondContact O-N 2.76Å; I110-S112 VanDerWaalsContact C-N 3.32Å; I110-S112 PolarHBondContact O-N 3.16Å; I110-N149 WeakPolarHBondContact CD1-O 3.28Å
111S86.3Confident93.5Very high53 Ų5324.7 Ų24.737%0.37115%0.147SC..THydrogen-bonded Turntrans-85.5-3.6-173.561.80000113.8C108 T113C108-S111 WeakPolarHBondContact CB-OG 3.25Å; C108-S111 PolarHBondContact SG-OG 3.5Å; S111-T113 WeakPolarHBondContact CB-OG1 3.43Å; S111-T113 PolarHBondContact O-N 2.98Å; S111-T113 PolarHBondContact OG-OG1 3.25Å
112S85.3Confident93.5Very high55 Ų5523.9 Ų23.939%0.38514%0.141SC..  trans53.523.9-173.7-590000114F107 C108 I110F107-S112 WeakPolarHBondContact CD1-O 3.44Å; C108-S112 WeakPolarHBondContact O-CA 3.49Å; C108-S112 PolarHBondContact O-N 3.33Å; C108-S112 VanDerWaalsContact O-N 3.11Å; I110-S112 VanDerWaalsContact C-N 3.32Å; I110-S112 PolarHBondContact O-N 3.16Å
113T91.3Very high93.4Very high22 Ų2223.9 Ų23.914%0.13514%0.141CC..PPolyproline II helixtrans-74127.4174.5-510000109.3F107 C108 S111 L124 W125F107-T113 CarbonylContact C-O 3.53Å; F107-T113 WeakPolarHBondContact CA-O 3.19Å; C108-T113 PolarHBondContact N-O 3.11Å; S111-T113 WeakPolarHBondContact CB-OG1 3.43Å; S111-T113 PolarHBondContact O-N 2.98Å; S111-T113 PolarHBondContact OG-OG1 3.25Å; T113-L124 HydrophobicContact CG2-CD2 4.48Å; T113-W125 CarbonylContact C-O 3.56Å; T113-W125 WeakPolarHBondContact CA-O 3.04Å; T113-W125 WeakPolarHBondContact CG2-O 3.21Å
114L94Very high93.3Very high0 Ų021.4 Ų21.40%013%0.129CC..EExtended strand (participates in β ladder)trans-83.3122.2176.7-18062.7000109.9V66 A75 V83 I85 F96 L105 F107 L124 W125V66-L114 HydrophobicContact CG1-CD1 4.07Å; A75-L114 HydrophobicContact CB-CD1 3.89Å; A75-L114 HydrophobicContact CB-CD2 3.63Å; A75-L114 HydrophobicContact CB-CG 4.43Å; V83-L114 HydrophobicContact CG1-CD2 3.94Å; I85-L114 HydrophobicContact CD1-CD2 4.04Å; I85-L114 HydrophobicContact CG1-CD2 4.2Å; F96-L114 HydrophobicContact CZ-CD2 4.28Å; L105-L114 HydrophobicContact CB-CD1 4.36Å; L105-L114 HydrophobicContact CD2-CD1 4.44Å; F107-L114 HydrophobicContact CD1-CB 3.97Å; F107-L114 HydrophobicContact CD1-CD1 4.16Å; F107-L114 HydrophobicContact CD2-CD1 4.02Å; F107-L114 HydrophobicContact CE1-CB 3.62Å; F107-L114 HydrophobicContact CE1-CD1 3.97Å; F107-L114 HydrophobicContact CE1-CG 4.27Å; F107-L114 HydrophobicContact CE2-CD1 3.81Å; F107-L114 HydrophobicContact CG-CD1 4.19Å; F107-L114 HydrophobicContact CZ-CB 4.15Å; F107-L114 HydrophobicContact CZ-CD1 3.78Å; F107-L114 HydrophobicContact CZ-CD2 4.39Å; F107-L114 HydrophobicContact CZ-CG 4.33Å; L114-L124 WeakPolarHBondContact O-CA 3.09Å; L114-W125 HydrophobicContact CB-CB 4.29Å; L114-W125 HydrophobicContact CB-CE3 3.82Å; L114-W125 HydrophobicContact CD2-CE3 4.48Å; L114-W125 PolarHBondContact N-O 3.45Å; L114-W125 PolarHBondContact O-N 3.34Å
115L96Very high93.1Very high0 Ų021.6 Ų21.60%013%0.128CC..EExtended strand (participates in β ladder)trans-90.4123.3162.9175.965.8000108.4L105 A106 F122 L124 C144 W146 F153 L155L105-L115 WeakPolarHBondContact CA-O 3.29Å; A106-L115 PolarHBondContact N-O 3.41Å; A106-L115 WeakPolarHBondContact O-CB 3.47Å; A106-L115 PolarHBondContact O-N 3.33Å; L115-F122 HydrophobicContact CD1-CB 4.23Å; L115-F122 HydrophobicContact CD1-CD2 3.8Å; L115-F122 HydrophobicContact CD1-CG 4.37Å; L115-L124 HydrophobicContact CB-CD2 4.2Å; L115-L124 HydrophobicContact CD1-CD2 3.7Å; L115-L124 HydrophobicContact CD1-CG 4.42Å; L115-C144 HydrophobicContact CD2-CB 3.78Å; L115-W146 HydrophobicContact CB-CZ2 4.01Å; L115-W146 VanDerWaalsContact CB-NE1 3.34Å; L115-F153 HydrophobicContact CD1-CD2 4.24Å; L115-F153 HydrophobicContact CD1-CE2 3.79Å; L115-F153 HydrophobicContact CD1-CZ 3.96Å; L115-F153 HydrophobicContact CD2-CB 4.1Å; L115-F153 HydrophobicContact CD2-CD2 3.4Å; L115-F153 VanDerWaalsContact CD2-CD2 3.4Å; L115-F153 HydrophobicContact CD2-CE2 3.84Å; L115-F153 HydrophobicContact CD2-CG 3.78Å; L115-F153 HydrophobicContact CG-CD2 4.47Å; L115-F153 HydrophobicContact CG-CE2 4.49Å; L115-L155 HydrophobicContact CD2-CD2 4.23Å
116S95.8Very high92.8Very high0 Ų022 Ų220%013%0.132CC..EExtended strand (participates in β ladder)trans-117.5119.417749.60000110.2H98 L105 F122 G123H98-S116 PolarHBondContact CE1-OG 3.28Å; H98-S116 PolarHBondContact NE2-OG 3.13Å; H98-S116 VanDerWaalsContact NE2-OG 3.14Å; L105-S116 VanDerWaalsContact CD2-CA 3.47Å; L105-S116 VanDerWaalsContact CD2-CB 3.5Å; S116-F122 CarbonylContact O-C 3.25Å; S116-F122 WeakPolarHBondContact O-CA 3.34Å; S116-F122 WeakPolarHBondContact O-CB 3.33Å; S116-G123 PolarHBondContact N-O 3.28Å; S116-G123 PolarHBondContact O-N 2.8Å; S116-G123 PolarHBondContact OG-O 3Å
117C96.1Very high92.1Very high0 Ų027.1 Ų27.10%016%0.155CC..EExtended strand (participates in β ladder)trans-114.9110.3-175-66.20000109.7Q103 C104 F122 I141 L155Q103-C117 PolarHBondContact N-O 3.28Å; C104-C117 PolarHBondContact N-O 3.32Å; C104-C117 WeakPolarHBondContact O-CB 3.38Å; C104-C117 PolarHBondContact O-N 3.43Å; C104-C117 WeakPolarHBondContact SG-CB 3.39Å; C117-F122 HydrophobicContact CB-CB 4.39Å; C117-I141 HydrophobicContact CB-CB 4.43Å; C117-I141 HydrophobicContact CB-CD1 4.08Å; C117-I141 HydrophobicContact CB-CG2 3.85Å; C117-L155 VanDerWaalsContact SG-CD2 3.52Å
118A95.8Very high91.4Very high0 Ų035 Ų350%019%0.192CC..EExtended strand (participates in β ladder)trans-85.9175.1165.800000110.8H98 D100 S101 I102 T120 D121H98-A118 HydrophobicContact CB-CB 3.72Å; D100-A118 HydrophobicContact CB-CB 4.45Å; S101-A118 CarbonylContact O-C 3.48Å; S101-A118 VanDerWaalsContact O-CA 3.24Å; S101-A118 WeakPolarHBondContact O-CA 3.39Å; I102-A118 HydrophobicContact CD1-CB 4.08Å; A118-T120 VanDerWaalsContact C-N 3.3Å; A118-T120 PolarHBondContact O-N 3.31Å; A118-D121 CarbonylContact C-O 3.58Å; A118-D121 WeakPolarHBondContact CA-O 3.41Å; A118-D121 WeakPolarHBondContact CB-O 3.5Å; A118-D121 WeakPolarHBondContact CB-OD1 3.25Å; A118-D121 PolarHBondContact N-O 3.39Å; A118-D121 VanDerWaalsContact O-O 3.08Å
119V95.2Very high90.8Very high18 Ų1839.8 Ų39.811%0.10921%0.213CC..SBendtrans-55.2-45.1177.8177.80000111.5D100 S101 Q103 K140 I141D100-V119 HydrophobicContact CB-CB 3.94Å; D100-V119 HydrophobicContact CB-CG2 4.43Å; S101-V119 PolarHBondContact O-N 2.88Å; Q103-V119 HydrophobicContact CG-CG2 3.74Å; V119-K140 HydrophobicContact CG1-CB 3.92Å; V119-K140 HydrophobicContact CG1-CD 3.71Å; V119-K140 HydrophobicContact CG1-CG 3.59Å; V119-K140 CarbonylContact O-C 3.57Å; V119-K140 WeakPolarHBondContact O-CA 2.79Å; V119-I141 PolarHBondContact O-N 2.94Å
120T94.4Very high90.1Very high59 Ų5947.9 Ų47.936%0.36224%0.244SC..SBendtrans-109.5-15.1-170.655.50000114.7S99 A118 S137S99-T120 PolarHBondContact OG-OG1 2.86Å; S99-T120 VanDerWaalsContact OG-OG1 3.1Å; A118-T120 VanDerWaalsContact C-N 3.3Å; A118-T120 PolarHBondContact O-N 3.31Å; T120-S137 PolarHBondContact O-N 3Å
121D94.5Very high89.9Confident13 Ų1347.2 Ų47.27%0.0725%0.245CC..EExtended strand (participates in β ladder)trans-142.5161.8-177.761.227.3000111.1H98 S99 A118 H135H98-D121 IonicContact CE1-OD1 3.34Å; H98-D121 IonicContact CG-OD1 2.78Å; H98-D121 IonicContact ND1-OD1 3.83Å; H98-D121 PolarHBondContact ND1-OD1 3.48Å; S99-D121 PolarHBondContact OG-OD2 3.14Å; A118-D121 CarbonylContact C-O 3.58Å; A118-D121 WeakPolarHBondContact CA-O 3.41Å; A118-D121 WeakPolarHBondContact CB-O 3.5Å; A118-D121 WeakPolarHBondContact CB-OD1 3.25Å; A118-D121 PolarHBondContact N-O 3.39Å; A118-D121 VanDerWaalsContact O-O 3.08Å; D121-H135 CarbonylContact C-O 3.53Å; D121-H135 VanDerWaalsContact CA-O 3.23Å; D121-H135 WeakPolarHBondContact CA-O 3.47Å; D121-H135 VanDerWaalsContact CB-O 3.3Å; D121-H135 WeakPolarHBondContact CB-O 3.46Å
122F95.3Very high89.9Confident9 Ų946 Ų464%0.03924%0.235CC..EExtended strand (participates in β ladder)trans-129.6153.1167.165-89.6000110.2L115 S116 C117 K134 H135 I141 F153 L155L115-F122 HydrophobicContact CD1-CB 4.23Å; L115-F122 HydrophobicContact CD1-CD2 3.8Å; L115-F122 HydrophobicContact CD1-CG 4.37Å; S116-F122 CarbonylContact O-C 3.25Å; S116-F122 WeakPolarHBondContact O-CA 3.34Å; S116-F122 WeakPolarHBondContact O-CB 3.33Å; C117-F122 HydrophobicContact CB-CB 4.39Å; F122-K134 CarbonylContact O-C 3.6Å; F122-K134 WeakPolarHBondContact O-CA 3.31Å; F122-H135 HydrophobicContact CD1-CB 4.15Å; F122-H135 HydrophobicContact CD2-CB 4.11Å; F122-H135 HydrophobicContact CE1-CB 3.63Å; F122-H135 HydrophobicContact CE2-CB 3.57Å; F122-H135 AromaticContact CE2-CD2 3.82Å; F122-H135 AromaticContact CE2-CG 3.76Å; F122-H135 HydrophobicContact CG-CB 4.38Å; F122-H135 HydrophobicContact CZ-CB 3.33Å; F122-H135 AromaticContact CZ-CG 3.83Å; F122-H135 PolarHBondContact N-O 3.47Å; F122-H135 PolarHBondContact O-N 3.23Å; F122-I141 HydrophobicContact CB-CD1 3.83Å; F122-I141 HydrophobicContact CD1-CD1 3.96Å; F122-I141 HydrophobicContact CG-CD1 4.36Å; F122-F153 HydrophobicContact CD2-CE2 4.3Å; F122-F153 HydrophobicContact CD2-CZ 4.17Å; F122-F153 HydrophobicContact CE2-CE2 4.08Å; F122-F153 AromaticContact CE2-CZ 3.7Å; F122-F153 HydrophobicContact CE2-CZ 3.7Å; F122-F153 HydrophobicContact CZ-CZ 4.34Å; F122-L155 HydrophobicContact CD1-CD1 3.64Å; F122-L155 HydrophobicContact CE1-CD1 3.69Å; F122-L155 HydrophobicContact CG-CD1 4.23Å; F122-L155 HydrophobicContact CZ-CD1 4.31Å
123G93.7Very high90.2Very high0 Ų046.1 Ų46.10%023%0.232CC..EExtended strand (participates in β ladder)trans-129.8135.4-174.400000110.9S116 D133S116-G123 PolarHBondContact N-O 3.28Å; S116-G123 PolarHBondContact O-N 2.8Å; S116-G123 PolarHBondContact OG-O 3Å; G123-D133 CarbonylContact C-O 3.57Å; G123-D133 VanDerWaalsContact CA-O 3.27Å; G123-D133 WeakPolarHBondContact CA-O 3.45Å
124L93.6Very high90.2Very high8 Ų850 Ų504%0.04225%0.246CC..EExtended strand (participates in β ladder)trans-105.2120.4173-67.2168.3000109T113 L114 L115 D133 W146 F153 K167T113-L124 HydrophobicContact CG2-CD2 4.48Å; L114-L124 WeakPolarHBondContact O-CA 3.09Å; L115-L124 HydrophobicContact CB-CD2 4.2Å; L115-L124 HydrophobicContact CD1-CD2 3.7Å; L115-L124 HydrophobicContact CD1-CG 4.42Å; L124-D133 HydrophobicContact CB-CB 4.48Å; L124-D133 PolarHBondContact N-O 2.92Å; L124-D133 PolarHBondContact O-N 2.78Å; L124-W146 HydrophobicContact CD2-CH2 4.19Å; L124-W146 HydrophobicContact CD2-CZ2 3.8Å; L124-F153 HydrophobicContact CD1-CE1 4.41Å; L124-F153 HydrophobicContact CD2-CE1 4.14Å; L124-F153 HydrophobicContact CD2-CZ 4.41Å; L124-K167 WeakPolarHBondContact CD1-O 3.34Å
125W91.9Very high90.2Very high18 Ų1852.6 Ų52.67%0.06826%0.259CS..EExtended strand (participates in β ladder)trans-117.5131.6178175.781.2000110.4I85 L94 F96 T113 L114 V132I85-W125 HydrophobicContact CD1-CD2 3.46Å; I85-W125 VanDerWaalsContact CD1-CD2 3.46Å; I85-W125 HydrophobicContact CD1-CE3 3.35Å; I85-W125 HydrophobicContact CD1-CG 4.32Å; I85-W125 HydrophobicContact CD1-CH2 3.4Å; I85-W125 VanDerWaalsContact CD1-CH2 3.4Å; I85-W125 HydrophobicContact CD1-CZ2 3.54Å; I85-W125 HydrophobicContact CD1-CZ3 3.33Å; I85-W125 HydrophobicContact CG2-CH2 4.43Å; L94-W125 HydrophobicContact CD2-CZ2 3.81Å; F96-W125 HydrophobicContact CE1-CG 4.4Å; F96-W125 HydrophobicContact CZ-CB 4.4Å; T113-W125 CarbonylContact C-O 3.56Å; T113-W125 WeakPolarHBondContact CA-O 3.04Å; T113-W125 WeakPolarHBondContact CG2-O 3.21Å; L114-W125 HydrophobicContact CB-CB 4.29Å; L114-W125 HydrophobicContact CB-CE3 3.82Å; L114-W125 HydrophobicContact CD2-CE3 4.48Å; L114-W125 PolarHBondContact N-O 3.45Å; L114-W125 PolarHBondContact O-N 3.34Å; W125-V132 HydrophobicContact CB-CG1 4.48Å; W125-V132 HydrophobicContact CB-CG2 4.15Å; W125-V132 HydrophobicContact CG-CG2 4.37Å
126S89Confident90Very high23 Ų2362 Ų6216%0.16130%0.3CS..  trans-125.5152.9174.5177.90000109.1E128 K129S126-E128 PolarHBondContact O-N 3.07Å; S126-K129 PolarHBondContact O-N 3.36Å; S126-K129 VanDerWaalsContact O-N 3.11Å
127M80.4Confident89.7Confident120 Ų12063.2 Ų63.259%0.59131%0.308SS*.THydrogen-bonded Turntrans-59.9-34.7177.4-171.1-169.3-77.700112.2R73 K129R73-M127 VanDerWaalsContact CZ-CE 3.49Å; M127-K129 VanDerWaalsContact C-N 3.26Å; M127-K129 PolarHBondContact O-N 3.29Å
128E80.4Confident89.2Confident184 Ų18466.8 Ų66.886%0.8633%0.333SS*.THydrogen-bonded Turntrans-69.1-26.2179.7-61.6178.3175.900112.5S126S126-E128 PolarHBondContact O-N 3.07Å
129K79.2Confident88.9Confident101 Ų10167.9 Ų67.944%0.43934%0.342SS..  trans-103.7116.9-175.6-68.6-177.5174.1-179.10110S126 M127 T131 D133S126-K129 PolarHBondContact O-N 3.36Å; S126-K129 VanDerWaalsContact O-N 3.11Å; M127-K129 VanDerWaalsContact C-N 3.26Å; M127-K129 PolarHBondContact O-N 3.29Å; K129-T131 PolarHBondContact O-N 2.92Å; K129-D133 IonicContact NZ-OD2 3.7Å; K129-D133 PolarHBondContact NZ-OD2 3.26Å
130K75Confident88.9Confident212 Ų21273 Ų7392%0.92236%0.363SS*.SBendtrans-66-21.7172.7-75-174.1177.8179.80113.1
131T84.3Confident88.9Confident96 Ų9670.3 Ų70.359%0.58935%0.346SS*.SBendtrans-104.4151.4-179.953.70000111.1K129K129-T131 PolarHBondContact O-N 2.92Å
132V87.8Confident88.9Confident27 Ų2770.9 Ų70.916%0.16435%0.351CS..  trans-93.6124.7173.5-176.90000108.5F96 W125 K134F96-V132 HydrophobicContact CB-CG2 4.34Å; F96-V132 HydrophobicContact CD1-CG2 4.05Å; F96-V132 HydrophobicContact CD2-CG2 3.7Å; F96-V132 HydrophobicContact CE1-CG2 4.21Å; F96-V132 HydrophobicContact CE2-CG1 4.16Å; F96-V132 HydrophobicContact CE2-CG2 3.86Å; F96-V132 HydrophobicContact CG-CG2 3.78Å; F96-V132 HydrophobicContact CZ-CG2 4.1Å; W125-V132 HydrophobicContact CB-CG1 4.48Å; W125-V132 HydrophobicContact CB-CG2 4.15Å; W125-V132 HydrophobicContact CG-CG2 4.37Å; V132-K134 HydrophobicContact CG1-CG 4.2Å; V132-K134 PolarHBondContact O-N 3.35Å
133D90.7Very high88.8Confident59 Ų5970.7 Ų70.732%0.31635%0.351SS..EExtended strand (participates in β ladder)trans-80.6108.2177.6-68-28.2000109G123 L124 K129G123-D133 CarbonylContact C-O 3.57Å; G123-D133 VanDerWaalsContact CA-O 3.27Å; G123-D133 WeakPolarHBondContact CA-O 3.45Å; L124-D133 HydrophobicContact CB-CB 4.48Å; L124-D133 PolarHBondContact N-O 2.92Å; L124-D133 PolarHBondContact O-N 2.78Å; K129-D133 IonicContact NZ-OD2 3.7Å; K129-D133 PolarHBondContact NZ-OD2 3.26Å
134K91.7Very high88.9Confident102 Ų10271.4 Ų71.444%0.44336%0.356SS..EExtended strand (participates in β ladder)trans-102.9134.4-173-61.8-176.4-173.1177.90112.4N97 F122 V132N97-K134 PolarHBondContact O-NZ 2.97Å; F122-K134 CarbonylContact O-C 3.6Å; F122-K134 WeakPolarHBondContact O-CA 3.31Å; V132-K134 HydrophobicContact CG1-CG 4.2Å; V132-K134 PolarHBondContact O-N 3.35Å
135H92.8Very high88.9Confident56 Ų5672 Ų7226%0.25936%0.36SS..EExtended strand (participates in β ladder)trans-124.4137-179.8-61-102000109.5D121 F122 A168 G169D121-H135 CarbonylContact C-O 3.53Å; D121-H135 VanDerWaalsContact CA-O 3.23Å; D121-H135 WeakPolarHBondContact CA-O 3.47Å; D121-H135 VanDerWaalsContact CB-O 3.3Å; D121-H135 WeakPolarHBondContact CB-O 3.46Å; F122-H135 HydrophobicContact CD1-CB 4.15Å; F122-H135 HydrophobicContact CD2-CB 4.11Å; F122-H135 HydrophobicContact CE1-CB 3.63Å; F122-H135 HydrophobicContact CE2-CB 3.57Å; F122-H135 AromaticContact CE2-CD2 3.82Å; F122-H135 AromaticContact CE2-CG 3.76Å; F122-H135 HydrophobicContact CG-CB 4.38Å; F122-H135 HydrophobicContact CZ-CB 3.33Å; F122-H135 AromaticContact CZ-CG 3.83Å; F122-H135 PolarHBondContact N-O 3.47Å; F122-H135 PolarHBondContact O-N 3.23Å; H135-A168 PolarHBondContact CE1-O 3.14Å; H135-A168 PolarHBondContact NE2-O 2.94Å; H135-G169 PolarHBondContact ND1-O 2.95Å
136K92Very high89.1Confident197 Ų19771.8 Ų71.886%0.85736%0.359SS*.EExtended strand (participates in β ladder)trans-79.1135.9175-71.1-173.9177.5-178.90110
137S89Confident89.2Confident26 Ų2670.8 Ų70.818%0.18235%0.352CS..  trans-86.5150.8173.3-176.80000111.2T120 A139T120-S137 PolarHBondContact O-N 3Å; S137-A139 VanDerWaalsContact C-N 3.33Å; S137-A139 VanDerWaalsContact CB-O 3.31Å; S137-A139 WeakPolarHBondContact CB-O 3.33Å; S137-A139 PolarHBondContact OG-N 3.41Å; S137-A139 PolarHBondContact OG-O 2.99Å
138S86Confident89.6Confident74 Ų7466.2 Ų66.252%0.51733%0.331SS..SBendtrans-74.8-22.717761.80000113.6
139A90.4Very high90Very high23 Ų2360 Ų6019%0.1930%0.304CS..SBendtrans-149.4175.617500000110.2S137 I141 L157 N159S137-A139 VanDerWaalsContact C-N 3.33Å; S137-A139 VanDerWaalsContact CB-O 3.31Å; S137-A139 WeakPolarHBondContact CB-O 3.33Å; S137-A139 PolarHBondContact OG-N 3.41Å; S137-A139 PolarHBondContact OG-O 2.99Å; A139-I141 PolarHBondContact O-N 3.2Å; A139-L157 HydrophobicContact CB-CB 4.22Å; A139-L157 HydrophobicContact CB-CD1 4.2Å; A139-N159 HydrophobicContact CB-CB 4.46Å; A139-N159 WeakPolarHBondContact CB-ND2 3.5Å
140K94.1Very high90.5Very high126 Ų12655.2 Ų55.255%0.54828%0.283SS..  trans-63.5123.4-177.3-63-173.9176-177.40111.3V119 L157 Y158V119-K140 HydrophobicContact CG1-CB 3.92Å; V119-K140 HydrophobicContact CG1-CD 3.71Å; V119-K140 HydrophobicContact CG1-CG 3.59Å; V119-K140 CarbonylContact O-C 3.57Å; V119-K140 WeakPolarHBondContact O-CA 2.79Å; K140-L157 CarbonylContact O-C 3.56Å; K140-L157 WeakPolarHBondContact O-CA 3.46Å; K140-Y158 HydrophobicContact CB-CG 4.5Å; K140-Y158 PolarHBondContact O-N 2.8Å
141I95.7Very high91.2Very high2 Ų249.4 Ų49.41%0.0126%0.26CS..EExtended strand (participates in β ladder)trans-78.4134.2177.1-48.1175.3000109.1Q103 C117 V119 F122 A139 L155 L157Q103-I141 WeakPolarHBondContact CG-O 3.06Å; C117-I141 HydrophobicContact CB-CB 4.43Å; C117-I141 HydrophobicContact CB-CD1 4.08Å; C117-I141 HydrophobicContact CB-CG2 3.85Å; V119-I141 PolarHBondContact O-N 2.94Å; F122-I141 HydrophobicContact CB-CD1 3.83Å; F122-I141 HydrophobicContact CD1-CD1 3.96Å; F122-I141 HydrophobicContact CG-CD1 4.36Å; A139-I141 PolarHBondContact O-N 3.2Å; I141-L155 HydrophobicContact CD1-CD1 4.27Å; I141-L155 HydrophobicContact CG2-CB 4.47Å; I141-L155 HydrophobicContact CG2-CD2 4.29Å; I141-L157 HydrophobicContact CB-CD2 4.36Å; I141-L157 HydrophobicContact CG1-CD2 3.93Å
142C93.7Very high91.5Very high25 Ų2549 Ų4917%0.16925%0.248CC..EExtended strand (participates in β ladder)trans-113.8-38.1178.4-58.90000111.9G156 V183C142-G156 PolarHBondContact N-O 3.17Å; C142-V183 VanDerWaalsContact CB-O 3.27Å; C142-V183 WeakPolarHBondContact CB-O 3.42Å
143S93.6Very high91.9Very high6 Ų647.7 Ų47.74%0.04224%0.24CC..EExtended strand (participates in β ladder)trans-147.6158.9-178.549.80000112.3C104 L155 G156 V183 W184C104-S143 WeakPolarHBondContact SG-CA 3.29Å; S143-L155 WeakPolarHBondContact O-CA 3.12Å; S143-G156 PolarHBondContact N-O 2.8Å; S143-G156 PolarHBondContact O-N 3.45Å; S143-V183 PolarHBondContact OG-O 3.4Å; S143-W184 VanDerWaalsContact CB-O 3.28Å; S143-W184 WeakPolarHBondContact CB-O 3.49Å; S143-W184 PolarHBondContact OG-O 2.97Å
144C95.3Very high92.1Very high15 Ų1544.9 Ų44.910%0.10123%0.225CC..EExtended strand (participates in β ladder)trans-146.2153176.270.30000112.1C104 L115 A154 L155 L186C104-C144 PolarHBondContact SG-N 3.28Å; C104-C144 PolarHBondContact SG-SG 2.76Å; L115-C144 HydrophobicContact CD2-CB 3.78Å; C144-A154 VanDerWaalsContact CA-O 3.23Å; C144-A154 WeakPolarHBondContact CA-O 3.23Å; C144-L155 HydrophobicContact CB-CD2 3.66Å; C144-L186 VanDerWaalsContact C-CD1 3.48Å
145S95Very high92.3Very high19 Ų1940 Ų4013%0.13320%0.204CC..EExtended strand (participates in β ladder)trans-155142.2174.1-177.30000110.6F153 A154 L186 F188S145-F153 CarbonylContact O-C 3.56Å; S145-F153 VanDerWaalsContact O-CA 3.23Å; S145-F153 WeakPolarHBondContact O-CA 3.31Å; S145-F153 WeakPolarHBondContact O-CB 3.34Å; S145-A154 PolarHBondContact N-O 3.44Å; S145-A154 VanDerWaalsContact N-O 3.1Å; S145-A154 PolarHBondContact O-N 2.98Å; S145-L186 VanDerWaalsContact N-CD1 3.32Å; S145-F188 WeakPolarHBondContact O-CE2 3.34Å; S145-F188 PolarHBondContact OG-N 3.08Å; S145-F188 VanDerWaalsContact OG-N 3.09Å
146W94.2Very high92.4Very high15 Ų1537.4 Ų37.46%0.05719%0.192CC..EExtended strand (participates in β ladder)trans-86150171.1-75.592.8000111.7A106 F107 C108 L115 L124 F153 K167 F188A106-W146 PolarHBondContact O-NE1 3.42Å; A106-W146 VanDerWaalsContact O-NE1 3.11Å; F107-W146 VanDerWaalsContact C-CD1 3.48Å; C108-W146 HydrophobicContact CB-CD2 3.84Å; C108-W146 HydrophobicContact CB-CE3 4.04Å; C108-W146 HydrophobicContact CB-CG 4.33Å; C108-W146 HydrophobicContact CB-CH2 4.29Å; C108-W146 HydrophobicContact CB-CZ2 4.1Å; C108-W146 HydrophobicContact CB-CZ3 4.26Å; L115-W146 HydrophobicContact CB-CZ2 4.01Å; L115-W146 VanDerWaalsContact CB-NE1 3.34Å; L124-W146 HydrophobicContact CD2-CH2 4.19Å; L124-W146 HydrophobicContact CD2-CZ2 3.8Å; W146-F153 HydrophobicContact CD2-CB 3.74Å; W146-F153 HydrophobicContact CD2-CD1 4.34Å; W146-F153 HydrophobicContact CD2-CG 4.42Å; W146-F153 HydrophobicContact CE3-CB 3.86Å; W146-F153 HydrophobicContact CE3-CD1 4.07Å; W146-F153 HydrophobicContact CE3-CG 4.45Å; W146-F153 HydrophobicContact CG-CB 4.11Å; W146-F153 AromaticContact CH2-CD1 3.42Å; W146-F153 HydrophobicContact CH2-CD1 3.42Å; W146-F153 VanDerWaalsContact CH2-CD1 3.42Å; W146-F153 AromaticContact CH2-CE1 3.91Å; W146-F153 HydrophobicContact CH2-CE1 3.91Å; W146-F153 HydrophobicContact CH2-CG 4.35Å; W146-F153 HydrophobicContact CZ2-CB 4.49Å; W146-F153 AromaticContact CZ2-CD1 3.71Å; W146-F153 HydrophobicContact CZ2-CD1 3.71Å; W146-F153 HydrophobicContact CZ2-CE1 4.21Å; W146-F153 HydrophobicContact CZ2-CG 4.31Å; W146-F153 HydrophobicContact CZ3-CB 4.29Å; W146-F153 AromaticContact CZ3-CD1 3.61Å; W146-F153 HydrophobicContact CZ3-CD1 3.61Å; W146-F153 HydrophobicContact CZ3-CE1 4.45Å; W146-F153 HydrophobicContact CZ3-CG 4.41Å; W146-K167 HydrophobicContact CZ3-CG 4.24Å; W146-F188 WeakPolarHBondContact O-CB 3.22Å; W146-F188 VanDerWaalsContact O-CD2 3.24Å; W146-F188 WeakPolarHBondContact O-CD2 3.5Å
147T92.2Very high92.5Very high1 Ų128 Ų281%0.00615%0.151CC..  trans-67.4152.4164.755.30000110.2P109 N149 G150 E151 Y152 F188 V213P109-T147 WeakPolarHBondContact CG-O 3.46Å; T147-N149 WeakPolarHBondContact CB-OD1 3.38Å; T147-N149 PolarHBondContact O-N 3.43Å; T147-N149 PolarHBondContact OG1-OD1 3.49Å; T147-G150 WeakPolarHBondContact O-CA 3.37Å; T147-G150 PolarHBondContact O-N 3.36Å; T147-E151 PolarHBondContact OG1-N 3.41Å; T147-Y152 PolarHBondContact N-O 3.29Å; T147-Y152 PolarHBondContact OG1-N 2.98Å; T147-Y152 VanDerWaalsContact OG1-N 3.11Å; T147-Y152 PolarHBondContact OG1-O 2.87Å; T147-F188 HydrophobicContact CG2-CD1 3.94Å; T147-F188 HydrophobicContact CG2-CD2 4.04Å; T147-F188 HydrophobicContact CG2-CE1 3.68Å; T147-F188 HydrophobicContact CG2-CE2 3.78Å; T147-F188 HydrophobicContact CG2-CG 4.11Å; T147-F188 HydrophobicContact CG2-CZ 3.59Å; T147-V213 HydrophobicContact CG2-CG1 4.46Å
148P89.2Confident92.7Very high24 Ų2433.6 Ų33.616%0.15617%0.169CC..THydrogen-bonded Turntrans-63-29.7-178.8-21.733000113.4P109 G150 N189 T197P109-P148 VanDerWaalsContact CG-O 3.28Å; P109-P148 WeakPolarHBondContact CG-O 3.04Å; P148-G150 PolarHBondContact O-N 3.36Å; P148-N189 WeakPolarHBondContact CG-O 3.45Å; P148-T197 VanDerWaalsContact CD-CG2 3.48Å; P148-T197 HydrophobicContact CG-CG2 3.87Å
149N89Confident92.9Very high54 Ų5433.3 Ų33.329%0.28916%0.162SC..THydrogen-bonded Turntrans-78.5-3.3173.270-8000113.3I110 T147 E151I110-N149 WeakPolarHBondContact CD1-O 3.28Å; T147-N149 WeakPolarHBondContact CB-OD1 3.38Å; T147-N149 PolarHBondContact O-N 3.43Å; T147-N149 PolarHBondContact OG1-OD1 3.49Å; N149-E151 HydrophobicContact CB-CG 4.43Å; N149-E151 VanDerWaalsContact ND2-CD 3.31Å; N149-E151 PolarHBondContact ND2-OE2 3.24Å; N149-E151 PolarHBondContact O-N 2.86Å; N149-E151 VanDerWaalsContact O-N 3.11Å; N149-E151 PolarHBondContact OD1-N 3.07Å
150G88.8Confident93Very high0 Ų032.2 Ų32.20%015%0.153CC..SBendtrans63.513.4179.200000115.4C108 T147 P148 K167C108-G150 VanDerWaalsContact SG-CA 3.53Å; T147-G150 WeakPolarHBondContact O-CA 3.37Å; T147-G150 PolarHBondContact O-N 3.36Å; P148-G150 PolarHBondContact O-N 3.36Å; G150-K167 VanDerWaalsContact O-CD 3.22Å; G150-K167 WeakPolarHBondContact O-CD 3.5Å; G150-K167 WeakPolarHBondContact O-CE 3.12Å; G150-K167 WeakPolarHBondContact O-CG 3.31Å; G150-K167 PolarHBondContact O-NZ 3.39Å; G150-K167 VanDerWaalsContact O-NZ 3.08Å
151E89.6Confident92.9Very high91 Ų9127.8 Ų27.843%0.42514%0.135SC..SBendtrans-77-38.2179.7-70.4-172.216100113.7T147 N149 K167T147-E151 PolarHBondContact OG1-N 3.41Å; N149-E151 HydrophobicContact CB-CG 4.43Å; N149-E151 VanDerWaalsContact ND2-CD 3.31Å; N149-E151 PolarHBondContact ND2-OE2 3.24Å; N149-E151 PolarHBondContact O-N 2.86Å; N149-E151 VanDerWaalsContact O-N 3.11Å; N149-E151 PolarHBondContact OD1-N 3.07Å; E151-K167 VanDerWaalsContact O-CG 3.26Å; E151-K167 WeakPolarHBondContact O-CG 3.09Å; E151-K167 PolarHBondContact O-N 3.23Å
152Y91.6Very high92.9Very high86 Ų8627.7 Ų27.734%0.33713%0.134SC..EExtended strand (participates in β ladder)trans-132.7160.2-174.6-50.6-78.9000110T147 C165 N166 V213T147-Y152 PolarHBondContact N-O 3.29Å; T147-Y152 PolarHBondContact OG1-N 2.98Å; T147-Y152 VanDerWaalsContact OG1-N 3.11Å; T147-Y152 PolarHBondContact OG1-O 2.87Å; Y152-C165 CarbonylContact C-O 3.54Å; Y152-C165 WeakPolarHBondContact CA-O 3.47Å; Y152-C165 WeakPolarHBondContact CB-O 3.5Å; Y152-N166 HydrophobicContact CD1-CB 4.4Å; Y152-V213 HydrophobicContact CD2-CG1 3.9Å; Y152-V213 HydrophobicContact CE2-CG1 4.39Å
153F94.8Very high92.9Very high0 Ų026.6 Ų26.60%013%0.127CC..EExtended strand (participates in β ladder)trans-136.4152.7166.561.6-91000110L115 F122 L124 S145 W146 L155 C165 N166L115-F153 HydrophobicContact CD1-CD2 4.24Å; L115-F153 HydrophobicContact CD1-CE2 3.79Å; L115-F153 HydrophobicContact CD1-CZ 3.96Å; L115-F153 HydrophobicContact CD2-CB 4.1Å; L115-F153 HydrophobicContact CD2-CD2 3.4Å; L115-F153 VanDerWaalsContact CD2-CD2 3.4Å; L115-F153 HydrophobicContact CD2-CE2 3.84Å; L115-F153 HydrophobicContact CD2-CG 3.78Å; L115-F153 HydrophobicContact CG-CD2 4.47Å; L115-F153 HydrophobicContact CG-CE2 4.49Å; F122-F153 HydrophobicContact CD2-CE2 4.3Å; F122-F153 HydrophobicContact CD2-CZ 4.17Å; F122-F153 HydrophobicContact CE2-CE2 4.08Å; F122-F153 AromaticContact CE2-CZ 3.7Å; F122-F153 HydrophobicContact CE2-CZ 3.7Å; F122-F153 HydrophobicContact CZ-CZ 4.34Å; L124-F153 HydrophobicContact CD1-CE1 4.41Å; L124-F153 HydrophobicContact CD2-CE1 4.14Å; L124-F153 HydrophobicContact CD2-CZ 4.41Å; S145-F153 CarbonylContact O-C 3.56Å; S145-F153 VanDerWaalsContact O-CA 3.23Å; S145-F153 WeakPolarHBondContact O-CA 3.31Å; S145-F153 WeakPolarHBondContact O-CB 3.34Å; W146-F153 HydrophobicContact CD2-CB 3.74Å; W146-F153 HydrophobicContact CD2-CD1 4.34Å; W146-F153 HydrophobicContact CD2-CG 4.42Å; W146-F153 HydrophobicContact CE3-CB 3.86Å; W146-F153 HydrophobicContact CE3-CD1 4.07Å; W146-F153 HydrophobicContact CE3-CG 4.45Å; W146-F153 HydrophobicContact CG-CB 4.11Å; W146-F153 AromaticContact CH2-CD1 3.42Å; W146-F153 HydrophobicContact CH2-CD1 3.42Å; W146-F153 VanDerWaalsContact CH2-CD1 3.42Å; W146-F153 AromaticContact CH2-CE1 3.91Å; W146-F153 HydrophobicContact CH2-CE1 3.91Å; W146-F153 HydrophobicContact CH2-CG 4.35Å; W146-F153 HydrophobicContact CZ2-CB 4.49Å; W146-F153 AromaticContact CZ2-CD1 3.71Å; W146-F153 HydrophobicContact CZ2-CD1 3.71Å; W146-F153 HydrophobicContact CZ2-CE1 4.21Å; W146-F153 HydrophobicContact CZ2-CG 4.31Å; W146-F153 HydrophobicContact CZ3-CB 4.29Å; W146-F153 AromaticContact CZ3-CD1 3.61Å; W146-F153 HydrophobicContact CZ3-CD1 3.61Å; W146-F153 HydrophobicContact CZ3-CE1 4.45Å; W146-F153 HydrophobicContact CZ3-CG 4.41Å; F153-L155 HydrophobicContact CD2-CD2 3.95Å; F153-L155 HydrophobicContact CD2-CG 4.09Å; F153-L155 HydrophobicContact CE2-CD1 4.14Å; F153-L155 HydrophobicContact CE2-CD2 3.96Å; F153-L155 HydrophobicContact CE2-CG 3.98Å; F153-C165 HydrophobicContact CD1-CB 4.18Å; F153-C165 HydrophobicContact CD2-CB 3.91Å; F153-C165 HydrophobicContact CE1-CB 3.73Å; F153-C165 HydrophobicContact CE2-CB 3.41Å; F153-C165 VanDerWaalsContact CE2-CB 3.41Å; F153-C165 HydrophobicContact CG-CB 4.28Å; F153-C165 HydrophobicContact CZ-CB 3.32Å; F153-C165 PolarHBondContact N-O 3.48Å; F153-C165 PolarHBondContact O-N 3.44Å; F153-N166 WeakPolarHBondContact CE1-O 3.35Å
154A95.5Very high92.9Very high0 Ų026.6 Ų26.60%013%0.126CC..EExtended strand (participates in β ladder)trans-109.3143.2177.200000110C144 S145 I162 S163 Y164 L186 F188 L199C144-A154 VanDerWaalsContact CA-O 3.23Å; C144-A154 WeakPolarHBondContact CA-O 3.23Å; S145-A154 PolarHBondContact N-O 3.44Å; S145-A154 VanDerWaalsContact N-O 3.1Å; S145-A154 PolarHBondContact O-N 2.98Å; A154-I162 HydrophobicContact CB-CG2 4.18Å; A154-S163 CarbonylContact C-O 3.5Å; A154-S163 VanDerWaalsContact CA-O 3.32Å; A154-S163 WeakPolarHBondContact CA-O 3.27Å; A154-Y164 HydrophobicContact CB-CD1 4.46Å; A154-L186 HydrophobicContact CB-CD1 4.19Å; A154-L186 HydrophobicContact CB-CD2 4.24Å; A154-F188 HydrophobicContact CB-CE2 3.6Å; A154-F188 HydrophobicContact CB-CZ 3.81Å; A154-L199 HydrophobicContact CB-CD1 4.37Å; A154-L199 HydrophobicContact CB-CD2 4.04Å
155L95.8Very high92.9Very high1 Ų125.9 Ų25.91%0.00512%0.121CC..EExtended strand (participates in β ladder)trans-117.2124174-58.1177.8000109.1L115 C117 F122 I141 S143 C144 F153 L157 I162 S163L115-L155 HydrophobicContact CD2-CD2 4.23Å; C117-L155 VanDerWaalsContact SG-CD2 3.52Å; F122-L155 HydrophobicContact CD1-CD1 3.64Å; F122-L155 HydrophobicContact CE1-CD1 3.69Å; F122-L155 HydrophobicContact CG-CD1 4.23Å; F122-L155 HydrophobicContact CZ-CD1 4.31Å; I141-L155 HydrophobicContact CD1-CD1 4.27Å; I141-L155 HydrophobicContact CG2-CB 4.47Å; I141-L155 HydrophobicContact CG2-CD2 4.29Å; S143-L155 WeakPolarHBondContact O-CA 3.12Å; C144-L155 HydrophobicContact CB-CD2 3.66Å; F153-L155 HydrophobicContact CD2-CD2 3.95Å; F153-L155 HydrophobicContact CD2-CG 4.09Å; F153-L155 HydrophobicContact CE2-CD1 4.14Å; F153-L155 HydrophobicContact CE2-CD2 3.96Å; F153-L155 HydrophobicContact CE2-CG 3.98Å; L155-L157 HydrophobicContact CB-CD2 4.36Å; L155-I162 WeakPolarHBondContact O-CA 3.49Å; L155-S163 PolarHBondContact N-O 3.39Å; L155-S163 PolarHBondContact O-N 3Å
156G94.6Very high92.7Very high0 Ų026.4 Ų26.40%012%0.122CC..EExtended strand (participates in β ladder)trans-90.2118.8174.500000109.3C142 S143 L186C142-G156 PolarHBondContact N-O 3.17Å; S143-G156 PolarHBondContact N-O 2.8Å; S143-G156 PolarHBondContact O-N 3.45Å; G156-L186 VanDerWaalsContact N-CD2 3.29Å
157L94.8Very high92.4Very high0 Ų030 Ų300%014%0.139CC..EExtended strand (participates in β ladder)trans-102.9152.8-175.4-53.8-179.2000112A139 K140 I141 L155 N159 G160 I161 V183A139-L157 HydrophobicContact CB-CB 4.22Å; A139-L157 HydrophobicContact CB-CD1 4.2Å; K140-L157 CarbonylContact O-C 3.56Å; K140-L157 WeakPolarHBondContact O-CA 3.46Å; I141-L157 HydrophobicContact CB-CD2 4.36Å; I141-L157 HydrophobicContact CG1-CD2 3.93Å; L155-L157 HydrophobicContact CB-CD2 4.36Å; L157-N159 VanDerWaalsContact CB-OD1 3.27Å; L157-N159 WeakPolarHBondContact CB-OD1 3.3Å; L157-N159 PolarHBondContact O-N 2.95Å; L157-G160 PolarHBondContact O-N 2.82Å; L157-G160 VanDerWaalsContact O-N 3.12Å; L157-I161 HydrophobicContact CB-CB 4.44Å; L157-I161 WeakPolarHBondContact CB-O 3.49Å; L157-I161 HydrophobicContact CD1-CB 4.1Å; L157-I161 HydrophobicContact CD1-CG2 4.14Å; L157-I161 WeakPolarHBondContact CG-O 3.24Å; L157-I161 PolarHBondContact N-O 3Å; L157-V183 PolarHBondContact O-N 3.2Å
158Y92.3Very high92.2Very high143 Ų14332.8 Ų32.856%0.56116%0.162SC*.THydrogen-bonded Turntrans-61.8-25.9-179.3-173.7-86.6000113.3K140 G160 T182K140-Y158 HydrophobicContact CB-CG 4.5Å; K140-Y158 PolarHBondContact O-N 2.8Å; Y158-G160 VanDerWaalsContact C-N 3.28Å; Y158-G160 PolarHBondContact O-N 3.15Å; Y158-T182 HydrophobicContact CD1-CG2 3.99Å; Y158-T182 HydrophobicContact CD2-CG2 3.37Å; Y158-T182 HydrophobicContact CE1-CG2 4.03Å; Y158-T182 HydrophobicContact CE2-CG2 3.41Å; Y158-T182 VanDerWaalsContact CE2-CG2 3.41Å; Y158-T182 HydrophobicContact CG-CG2 3.65Å; Y158-T182 WeakPolarHBondContact O-CA 3.46Å; Y158-T182 WeakPolarHBondContact O-CG2 3.3Å
159N91.6Very high92.2Very high69 Ų6931.9 Ų31.937%0.36916%0.157SC..THydrogen-bonded Turntrans-87.511.5178.864.4-8.7000113.9A139 L157 I161A139-N159 HydrophobicContact CB-CB 4.46Å; A139-N159 WeakPolarHBondContact CB-ND2 3.5Å; L157-N159 VanDerWaalsContact CB-OD1 3.27Å; L157-N159 WeakPolarHBondContact CB-OD1 3.3Å; L157-N159 PolarHBondContact O-N 2.95Å; N159-I161 WeakPolarHBondContact ND2-CD1 3.37Å; N159-I161 WeakPolarHBondContact OD1-CB 3.4Å; N159-I161 PolarHBondContact OD1-N 3.34Å
160G90.9Very high92.3Very high0 Ų035.1 Ų35.10%017%0.17CC..SBendtrans837.5179.500000115.4L157 Y158 R177 S181L157-G160 PolarHBondContact O-N 2.82Å; L157-G160 VanDerWaalsContact O-N 3.12Å; Y158-G160 VanDerWaalsContact C-N 3.28Å; Y158-G160 PolarHBondContact O-N 3.15Å; G160-R177 WeakPolarHBondContact O-CB 3.4Å; G160-R177 WeakPolarHBondContact O-CG 3.47Å; G160-R177 PolarHBondContact O-N 3.34Å; G160-S181 WeakPolarHBondContact CA-O 3.24Å
161I93.8Very high92.3Very high32 Ų3239.3 Ų39.316%0.16419%0.19CC..EExtended strand (participates in β ladder)trans-89.7136.5175.9-61.2178.6000110L157 N159 K174 V175L157-I161 HydrophobicContact CB-CB 4.44Å; L157-I161 WeakPolarHBondContact CB-O 3.49Å; L157-I161 HydrophobicContact CD1-CB 4.1Å; L157-I161 HydrophobicContact CD1-CG2 4.14Å; L157-I161 WeakPolarHBondContact CG-O 3.24Å; L157-I161 PolarHBondContact N-O 3Å; N159-I161 WeakPolarHBondContact ND2-CD1 3.37Å; N159-I161 WeakPolarHBondContact OD1-CB 3.4Å; N159-I161 PolarHBondContact OD1-N 3.34Å; I161-K174 HydrophobicContact CG2-CB 4.01Å; I161-K174 HydrophobicContact CG2-CD 4.24Å; I161-K174 HydrophobicContact CG2-CG 3.99Å; I161-V175 CarbonylContact C-O 3.58Å; I161-V175 WeakPolarHBondContact CA-O 3.48Å
162I94.2Very high92.3Very high0 Ų040.8 Ų40.80%020%0.198CC..EExtended strand (participates in β ladder)trans-102.6118.3166.6-52.6155.9000107.1A154 L155 Y164 K174 V175 V183 L186 L199 V201 Y211A154-I162 HydrophobicContact CB-CG2 4.18Å; L155-I162 WeakPolarHBondContact O-CA 3.49Å; I162-Y164 HydrophobicContact CB-CE2 4.36Å; I162-Y164 HydrophobicContact CG2-CD2 4.1Å; I162-Y164 HydrophobicContact CG2-CE2 3.64Å; I162-K174 WeakPolarHBondContact O-CA 3.43Å; I162-V175 HydrophobicContact CB-CB 4.33Å; I162-V175 PolarHBondContact N-O 3.32Å; I162-V175 PolarHBondContact O-N 3.21Å; I162-V183 HydrophobicContact CG1-CG2 4.12Å; I162-L186 HydrophobicContact CG2-CD2 4.4Å; I162-L199 HydrophobicContact CG2-CD2 4.02Å; I162-V201 HydrophobicContact CD1-CB 4.48Å; I162-V201 HydrophobicContact CD1-CG1 4.09Å; I162-V201 HydrophobicContact CD1-CG2 3.74Å; I162-Y211 HydrophobicContact CD1-CD2 4.1Å; I162-Y211 HydrophobicContact CD1-CE2 3.96Å
163S94.2Very high92.4Very high3 Ų339.7 Ų39.72%0.02120%0.197CC..EExtended strand (participates in β ladder)trans-102.4120.9178.5174.90000109.6A154 L155 E171 L173A154-S163 CarbonylContact C-O 3.5Å; A154-S163 VanDerWaalsContact CA-O 3.32Å; A154-S163 WeakPolarHBondContact CA-O 3.27Å; L155-S163 PolarHBondContact N-O 3.39Å; L155-S163 PolarHBondContact O-N 3Å; S163-E171 VanDerWaalsContact CB-OE1 3.27Å; S163-E171 WeakPolarHBondContact CB-OE1 3.3Å; S163-E171 WeakPolarHBondContact OG-CG 3.39Å; S163-E171 PolarHBondContact OG-OE1 3.47Å; S163-L173 WeakPolarHBondContact CA-O 3.2Å
164Y94.2Very high92.2Very high6 Ų644.4 Ų44.42%0.02422%0.218CC..EExtended strand (participates in β ladder)trans-96.2126.5174.5-69.1-110.3000109A154 I162 M172 L173 V175 F188 L199 D212 V213A154-Y164 HydrophobicContact CB-CD1 4.46Å; I162-Y164 HydrophobicContact CB-CE2 4.36Å; I162-Y164 HydrophobicContact CG2-CD2 4.1Å; I162-Y164 HydrophobicContact CG2-CE2 3.64Å; Y164-M172 PolarHBondContact O-N 3.31Å; Y164-L173 HydrophobicContact CD2-CB 4.49Å; Y164-L173 HydrophobicContact CD2-CD2 4.1Å; Y164-L173 HydrophobicContact CE2-CD2 4.4Å; Y164-L173 PolarHBondContact N-O 2.92Å; Y164-L173 PolarHBondContact O-N 3.4Å; Y164-V175 HydrophobicContact CD2-CG2 4.4Å; Y164-V175 HydrophobicContact CE2-CG2 3.88Å; Y164-F188 HydrophobicContact CD1-CZ 4.14Å; Y164-F188 HydrophobicContact CE1-CE1 4.1Å; Y164-F188 AromaticContact CE1-CZ 3.76Å; Y164-F188 HydrophobicContact CE1-CZ 3.76Å; Y164-L199 HydrophobicContact CE1-CD2 4.31Å; Y164-L199 WeakPolarHBondContact OH-CD2 3.39Å; Y164-D212 PolarHBondContact OH-O 2.86Å; Y164-V213 WeakPolarHBondContact CE1-O 3.3Å
165C94.5Very high92Very high0 Ų045.2 Ų45.20%022%0.223CC..EExtended strand (participates in β ladder)trans-120.7150.7-178.2-65.80000111.2Y152 F153 E170Y152-C165 CarbonylContact C-O 3.54Å; Y152-C165 WeakPolarHBondContact CA-O 3.47Å; Y152-C165 WeakPolarHBondContact CB-O 3.5Å; F153-C165 HydrophobicContact CD1-CB 4.18Å; F153-C165 HydrophobicContact CD2-CB 3.91Å; F153-C165 HydrophobicContact CE1-CB 3.73Å; F153-C165 HydrophobicContact CE2-CB 3.41Å; F153-C165 VanDerWaalsContact CE2-CB 3.41Å; F153-C165 HydrophobicContact CG-CB 4.28Å; F153-C165 HydrophobicContact CZ-CB 3.32Å; F153-C165 PolarHBondContact N-O 3.48Å; F153-C165 PolarHBondContact O-N 3.44Å; C165-E170 CarbonylContact C-O 3.55Å; C165-E170 WeakPolarHBondContact CA-O 3.12Å
166N91.8Very high91.7Very high29 Ų2949.1 Ų49.116%0.15525%0.25CS..EExtended strand (participates in β ladder)trans-82.7172.7171.270.212.5000111.7Y152 F153 A168 G169 E170 M172Y152-N166 HydrophobicContact CD1-CB 4.4Å; F153-N166 WeakPolarHBondContact CE1-O 3.35Å; N166-A168 PolarHBondContact O-N 3.03Å; N166-A168 WeakPolarHBondContact OD1-CA 3.48Å; N166-A168 WeakPolarHBondContact OD1-CB 3.41Å; N166-A168 PolarHBondContact OD1-N 2.72Å; N166-G169 PolarHBondContact O-N 2.96Å; N166-G169 PolarHBondContact OD1-N 3.46Å; N166-G169 VanDerWaalsContact OD1-N 3.14Å; N166-E170 PolarHBondContact N-O 2.95Å; N166-E170 PolarHBondContact ND2-OE2 3.14Å; N166-E170 PolarHBondContact OD1-N 3.08Å; N166-M172 HydrophobicContact CB-CG 4.27Å
167K87.9Confident91.4Very high92 Ų9249.2 Ų49.240%0.425%0.251SS..THydrogen-bonded Turntrans-56.1-20.6177.1-51.7-160.5-161.6-150.20115L124 W146 G150 E151 G169L124-K167 WeakPolarHBondContact CD1-O 3.34Å; W146-K167 HydrophobicContact CZ3-CG 4.24Å; G150-K167 VanDerWaalsContact O-CD 3.22Å; G150-K167 WeakPolarHBondContact O-CD 3.5Å; G150-K167 WeakPolarHBondContact O-CE 3.12Å; G150-K167 WeakPolarHBondContact O-CG 3.31Å; G150-K167 PolarHBondContact O-NZ 3.39Å; G150-K167 VanDerWaalsContact O-NZ 3.08Å; E151-K167 VanDerWaalsContact O-CG 3.26Å; E151-K167 WeakPolarHBondContact O-CG 3.09Å; E151-K167 PolarHBondContact O-N 3.23Å; K167-G169 VanDerWaalsContact C-N 3.35Å
168A88Confident90.9Very high59 Ų5954.5 Ų54.549%0.48829%0.285SS..THydrogen-bonded Turntrans-88.2-2.6179.100000113H135 N166 E170H135-A168 PolarHBondContact CE1-O 3.14Å; H135-A168 PolarHBondContact NE2-O 2.94Å; N166-A168 PolarHBondContact O-N 3.03Å; N166-A168 WeakPolarHBondContact OD1-CA 3.48Å; N166-A168 WeakPolarHBondContact OD1-CB 3.41Å; N166-A168 PolarHBondContact OD1-N 2.72Å; A168-E170 HydrophobicContact CB-CG 4.45Å
169G88.3Confident90.3Very high5 Ų550.1 Ų50.15%0.05228%0.275CS..SBendtrans82.512.2-178.100000114.2H135 N166 K167H135-G169 PolarHBondContact ND1-O 2.95Å; N166-G169 PolarHBondContact O-N 2.96Å; N166-G169 PolarHBondContact OD1-N 3.46Å; N166-G169 VanDerWaalsContact OD1-N 3.14Å; K167-G169 VanDerWaalsContact C-N 3.35Å
170E90.5Very high89.9Confident121 Ų12148.8 Ų48.857%0.56528%0.278SS*.  trans-81.7131.8174.1-55.8174153.100109.9C165 N166 A168 M172C165-E170 CarbonylContact C-O 3.55Å; C165-E170 WeakPolarHBondContact CA-O 3.12Å; N166-E170 PolarHBondContact N-O 2.95Å; N166-E170 PolarHBondContact ND2-OE2 3.14Å; N166-E170 PolarHBondContact OD1-N 3.08Å; A168-E170 HydrophobicContact CB-CG 4.45Å; E170-M172 PolarHBondContact O-N 2.77Å
171E90Very high89.7Confident89 Ų8950.2 Ų50.242%0.41629%0.288SS..EExtended strand (participates in β ladder)trans-78.7116179178.1170.7-122.100110.8S163 K174S163-E171 VanDerWaalsContact CB-OE1 3.27Å; S163-E171 WeakPolarHBondContact CB-OE1 3.3Å; S163-E171 WeakPolarHBondContact OG-CG 3.39Å; S163-E171 PolarHBondContact OG-OE1 3.47Å; E171-K174 WeakPolarHBondContact OE1-CE 3.44Å; E171-K174 IonicContact OE1-NZ 2.8Å; E171-K174 PolarHBondContact OE1-NZ 3.45Å; E171-K174 WeakPolarHBondContact OE2-CE 3.27Å; E171-K174 IonicContact OE2-NZ 2.75Å; E171-K174 PolarHBondContact OE2-NZ 2.98Å
172M89.9Confident89.5Confident121 Ų12149.8 Ų49.860%0.59629%0.287SS*.EExtended strand (participates in β ladder)trans-95.5-40.3-173.8-64.5-62.3-63.200112.5Y164 N166 E170Y164-M172 PolarHBondContact O-N 3.31Å; N166-M172 HydrophobicContact CB-CG 4.27Å; E170-M172 PolarHBondContact O-N 2.77Å
173L92Very high89.5Confident63 Ų6349.8 Ų49.833%0.3329%0.287SS..EExtended strand (participates in β ladder)trans-147.7143.2-171.8-179.876.2000111.2S163 Y164 V175 N214S163-L173 WeakPolarHBondContact CA-O 3.2Å; Y164-L173 HydrophobicContact CD2-CB 4.49Å; Y164-L173 HydrophobicContact CD2-CD2 4.1Å; Y164-L173 HydrophobicContact CE2-CD2 4.4Å; Y164-L173 PolarHBondContact N-O 2.92Å; Y164-L173 PolarHBondContact O-N 3.4Å; L173-V175 HydrophobicContact CD2-CG2 3.89Å; L173-V175 HydrophobicContact CG-CG2 4.23Å; L173-N214 WeakPolarHBondContact CD2-O 3.44Å
174K91.5Very high89.3Confident100 Ų10053.5 Ų53.544%0.43530%0.3SS..EExtended strand (participates in β ladder)trans-117.7127.7168.6-72.7-178179.11670110.8I161 I162 E171I161-K174 HydrophobicContact CG2-CB 4.01Å; I161-K174 HydrophobicContact CG2-CD 4.24Å; I161-K174 HydrophobicContact CG2-CG 3.99Å; I162-K174 WeakPolarHBondContact O-CA 3.43Å; E171-K174 WeakPolarHBondContact OE1-CE 3.44Å; E171-K174 IonicContact OE1-NZ 2.8Å; E171-K174 PolarHBondContact OE1-NZ 3.45Å; E171-K174 WeakPolarHBondContact OE2-CE 3.27Å; E171-K174 IonicContact OE2-NZ 2.75Å; E171-K174 PolarHBondContact OE2-NZ 2.98Å
175V92Very high89.3Confident17 Ų1755.1 Ų55.110%0.10331%0.308CS..EExtended strand (participates in β ladder)trans-114.3117.7171.8-176.40000108.2I161 I162 Y164 L173 Y211 G215I161-V175 CarbonylContact C-O 3.58Å; I161-V175 WeakPolarHBondContact CA-O 3.48Å; I162-V175 HydrophobicContact CB-CB 4.33Å; I162-V175 PolarHBondContact N-O 3.32Å; I162-V175 PolarHBondContact O-N 3.21Å; Y164-V175 HydrophobicContact CD2-CG2 4.4Å; Y164-V175 HydrophobicContact CE2-CG2 3.88Å; L173-V175 HydrophobicContact CD2-CG2 3.89Å; L173-V175 HydrophobicContact CG-CG2 4.23Å; V175-Y211 HydrophobicContact CG1-CD1 4.06Å; V175-Y211 HydrophobicContact CG1-CE1 3.58Å; V175-G215 VanDerWaalsContact CG2-CA 3.46Å
176S89.8Confident89.3Confident82 Ų8255.2 Ų55.257%0.57331%0.308SS*.EExtended strand (participates in β ladder)trans-92.1126.1177.3-168.90000110.5
177R88.2Confident89.4Confident3 Ų354.4 Ų54.41%0.01131%0.306CS..  trans-68.3135.9173.5-72.4-70.6-66152.73.8110.3G160 S179 G180 V183 D203 Y211 D221G160-R177 WeakPolarHBondContact O-CB 3.4Å; G160-R177 WeakPolarHBondContact O-CG 3.47Å; G160-R177 PolarHBondContact O-N 3.34Å; R177-S179 PolarHBondContact O-N 3.26Å; R177-G180 PolarHBondContact O-N 3.14Å; R177-V183 HydrophobicContact CG-CG2 4.21Å; R177-D203 IonicContact CZ-OD2 2.81Å; R177-D203 VanDerWaalsContact CZ-OD2 3.26Å; R177-D203 IonicContact NE-OD2 3.47Å; R177-D203 PolarHBondContact NE-OD2 3.29Å; R177-D203 IonicContact NH2-OD1 3.78Å; R177-D203 IonicContact NH2-OD2 3.86Å; R177-D203 PolarHBondContact NH2-OD2 3.25Å; R177-Y211 VanDerWaalsContact CD-OH 3.26Å; R177-Y211 WeakPolarHBondContact CD-OH 3.36Å; R177-Y211 PolarHBondContact NH1-OH 3.23Å; R177-D221 IonicContact CZ-OD1 2.69Å; R177-D221 IonicContact CZ-OD2 3.47Å; R177-D221 IonicContact NH1-OD1 2.74Å; R177-D221 PolarHBondContact NH1-OD1 2.66Å; R177-D221 IonicContact NH1-OD2 2.84Å; R177-D221 PolarHBondContact NH1-OD2 2.72Å; R177-D221 IonicContact NH2-OD1 2.97Å; R177-D221 IonicContact NH2-OD2 3.07Å; R177-D221 PolarHBondContact NH2-OD2 2.65Å
178P82.9Confident89.7Confident111 Ų11150.5 Ų50.572%0.72129%0.289SS*.THydrogen-bonded Turntrans-58.3-32.3177.6-23.732.5000113.8G180P178-G180 PolarHBondContact O-N 3.13Å
179S79.3Confident89.8Confident50 Ų5047.8 Ų47.835%0.3527%0.266SS..THydrogen-bonded Turntrans-71.9-16.7178.758.10000113.2R177 S181 D203R177-S179 PolarHBondContact O-N 3.26Å; S179-S181 WeakPolarHBondContact CB-OG 3.38Å; S179-S181 PolarHBondContact O-N 3.29Å; S179-S181 PolarHBondContact O-OG 2.91Å; S179-S181 WeakPolarHBondContact OG-CB 3.47Å; S179-S181 PolarHBondContact OG-N 3.41Å; S179-D203 PolarHBondContact OG-OD2 3.44Å; S179-D203 VanDerWaalsContact OG-OD2 3.12Å
180G83.1Confident89.7Confident42 Ų4250.5 Ų50.543%0.43328%0.283SS..  trans5612.8-169.500000113.9R177 P178R177-G180 PolarHBondContact O-N 3.14Å; P178-G180 PolarHBondContact O-N 3.13Å
181S87.7Confident89.1Confident30 Ų3048.6 Ų48.621%0.2127%0.273CS..  trans-80150.1-173.6-63.20000110.6G160 S179 V183G160-S181 WeakPolarHBondContact CA-O 3.24Å; S179-S181 WeakPolarHBondContact CB-OG 3.38Å; S179-S181 PolarHBondContact O-N 3.29Å; S179-S181 PolarHBondContact O-OG 2.91Å; S179-S181 WeakPolarHBondContact OG-CB 3.47Å; S179-S181 PolarHBondContact OG-N 3.41Å; S181-V183 PolarHBondContact O-N 3.23Å
182T90.6Very high88Confident22 Ų2250.9 Ų50.914%0.13528%0.283CS..  trans-52.4121.5177.735.80000111.1Y158 W184 D203 W204Y158-T182 HydrophobicContact CD1-CG2 3.99Å; Y158-T182 HydrophobicContact CD2-CG2 3.37Å; Y158-T182 HydrophobicContact CE1-CG2 4.03Å; Y158-T182 HydrophobicContact CE2-CG2 3.41Å; Y158-T182 VanDerWaalsContact CE2-CG2 3.41Å; Y158-T182 HydrophobicContact CG-CG2 3.65Å; Y158-T182 WeakPolarHBondContact O-CA 3.46Å; Y158-T182 WeakPolarHBondContact O-CG2 3.3Å; T182-W184 PolarHBondContact O-N 3.27Å; T182-W184 VanDerWaalsContact O-N 3.08Å; T182-D203 VanDerWaalsContact O-CA 3.28Å; T182-D203 WeakPolarHBondContact O-CA 3.36Å; T182-W204 PolarHBondContact O-N 2.97Å; T182-W204 VanDerWaalsContact O-N 3.15Å; T182-W204 VanDerWaalsContact OG1-CB 3.32Å; T182-W204 WeakPolarHBondContact OG1-CB 3.35Å
183V92.2Very high86.7Confident0 Ų047.9 Ų47.90%027%0.268CS..EExtended strand (participates in β ladder)trans-77.794.2173.3177.90000108.2C142 S143 L157 I162 R177 S181 L186 V201C142-V183 VanDerWaalsContact CB-O 3.27Å; C142-V183 WeakPolarHBondContact CB-O 3.42Å; S143-V183 PolarHBondContact OG-O 3.4Å; L157-V183 PolarHBondContact O-N 3.2Å; I162-V183 HydrophobicContact CG1-CG2 4.12Å; R177-V183 HydrophobicContact CG-CG2 4.21Å; S181-V183 PolarHBondContact O-N 3.23Å; V183-L186 HydrophobicContact CG1-CD2 4.17Å; V183-V201 HydrophobicContact CG1-CG1 3.63Å; V183-V201 HydrophobicContact CG2-CG1 4.26Å
184W91.1Very high85.3Confident82 Ų8251.2 Ų51.231%0.31129%0.293SS..EExtended strand (participates in β ladder)trans-74.6-46.6-171.1-173.2-99.9000112.2S143 T182 L202 W204 L229 W270S143-W184 VanDerWaalsContact CB-O 3.28Å; S143-W184 WeakPolarHBondContact CB-O 3.49Å; S143-W184 PolarHBondContact OG-O 2.97Å; T182-W184 PolarHBondContact O-N 3.27Å; T182-W184 VanDerWaalsContact O-N 3.08Å; W184-L202 PolarHBondContact N-O 3.25Å; W184-W204 AromaticContact CD2-NE1 3.55Å; W184-W204 HydrophobicContact CE3-CZ2 4.34Å; W184-W204 AromaticContact CE3-NE1 3.22Å; W184-W204 AromaticContact CG-NE1 3.76Å; W184-L229 PolarHBondContact NE1-O 2.9Å; W184-L229 VanDerWaalsContact NE1-O 3.13Å; W184-W270 HydrophobicContact CH2-CZ3 4.42Å; W184-W270 AromaticContact CZ2-CZ3 3.7Å; W184-W270 HydrophobicContact CZ2-CZ3 3.7Å
185H93.9Very high83.7Confident39 Ų3953.8 Ų53.818%0.18131%0.311CS..EExtended strand (participates in β ladder)trans-140.4144.3-179.3-162.1-72.8000110.6L202 L231H185-L202 HydrophobicContact CB-CB 4.34Å; H185-L202 HydrophobicContact CB-CD1 4.21Å; H185-L202 PolarHBondContact N-O 3.3Å; H185-L202 PolarHBondContact O-N 3.31Å; H185-L231 HydrophobicContact CB-CD2 4.22Å; H185-L231 PolarHBondContact CE1-O 3.01Å; H185-L231 VanDerWaalsContact CE1-O 3.28Å; H185-L231 WeakPolarHBondContact ND1-CD2 3.49Å; H185-L231 VanDerWaalsContact ND1-CG 3.34Å; H185-L231 WeakPolarHBondContact ND1-CG 3.41Å
186L94.3Very high82.6Confident2 Ų254.8 Ų54.81%0.0133%0.325CS..EExtended strand (participates in β ladder)trans-142.7149.2173.559.377000110.3C144 S145 A154 G156 I162 V183 L199 V200 V201C144-L186 VanDerWaalsContact C-CD1 3.48Å; S145-L186 VanDerWaalsContact N-CD1 3.32Å; A154-L186 HydrophobicContact CB-CD1 4.19Å; A154-L186 HydrophobicContact CB-CD2 4.24Å; G156-L186 VanDerWaalsContact N-CD2 3.29Å; I162-L186 HydrophobicContact CG2-CD2 4.4Å; V183-L186 HydrophobicContact CG1-CD2 4.17Å; L186-L199 HydrophobicContact CB-CD1 4.25Å; L186-L199 HydrophobicContact CD1-CD1 4.23Å; L186-V200 VanDerWaalsContact CA-O 3.26Å; L186-V200 WeakPolarHBondContact CA-O 3.33Å; L186-V201 HydrophobicContact CB-CG2 4.49Å
187A94.2Very high82.2Confident13 Ų1351.8 Ų51.811%0.10730%0.303CS..EExtended strand (participates in β ladder)trans-151.5139.5169.700000111.2V200 L231 F233A187-V200 PolarHBondContact N-O 2.92Å; A187-V200 PolarHBondContact O-N 3.29Å; A187-L231 HydrophobicContact CB-CD1 3.56Å; A187-L231 HydrophobicContact CB-CD2 4.49Å; A187-L231 HydrophobicContact CB-CG 4.12Å; A187-F233 HydrophobicContact CB-CD2 4.24Å; A187-F233 HydrophobicContact CB-CE2 3.9Å; A187-F233 WeakPolarHBondContact O-CE2 3.45Å
188F93.8Very high82.2Confident9 Ų952.4 Ų52.44%0.03931%0.308CS..EExtended strand (participates in β ladder)trans-77.6140170.6-75.9-79.1000110.4S145 W146 T147 A154 Y164 P190 T197 S198 L199 F233S145-F188 WeakPolarHBondContact O-CE2 3.34Å; S145-F188 PolarHBondContact OG-N 3.08Å; S145-F188 VanDerWaalsContact OG-N 3.09Å; W146-F188 WeakPolarHBondContact O-CB 3.22Å; W146-F188 VanDerWaalsContact O-CD2 3.24Å; W146-F188 WeakPolarHBondContact O-CD2 3.5Å; T147-F188 HydrophobicContact CG2-CD1 3.94Å; T147-F188 HydrophobicContact CG2-CD2 4.04Å; T147-F188 HydrophobicContact CG2-CE1 3.68Å; T147-F188 HydrophobicContact CG2-CE2 3.78Å; T147-F188 HydrophobicContact CG2-CG 4.11Å; T147-F188 HydrophobicContact CG2-CZ 3.59Å; A154-F188 HydrophobicContact CB-CE2 3.6Å; A154-F188 HydrophobicContact CB-CZ 3.81Å; Y164-F188 HydrophobicContact CD1-CZ 4.14Å; Y164-F188 HydrophobicContact CE1-CE1 4.1Å; Y164-F188 AromaticContact CE1-CZ 3.76Å; Y164-F188 HydrophobicContact CE1-CZ 3.76Å; F188-P190 WeakPolarHBondContact O-CD 3.45Å; F188-T197 HydrophobicContact CB-CG2 4.21Å; F188-T197 HydrophobicContact CD1-CG2 3.92Å; F188-T197 HydrophobicContact CG-CG2 4.49Å; F188-S198 WeakPolarHBondContact CA-O 3.44Å; F188-L199 HydrophobicContact CD1-CB 3.81Å; F188-L199 HydrophobicContact CD1-CD1 3.81Å; F188-L199 HydrophobicContact CD1-CG 4.4Å; F188-L199 HydrophobicContact CD2-CD1 3.76Å; F188-L199 HydrophobicContact CE1-CB 3.71Å; F188-L199 HydrophobicContact CE1-CD1 3.87Å; F188-L199 HydrophobicContact CE1-CD2 4.49Å; F188-L199 HydrophobicContact CE1-CG 4.23Å; F188-L199 HydrophobicContact CE2-CD1 3.83Å; F188-L199 HydrophobicContact CG-CD1 3.77Å; F188-L199 HydrophobicContact CZ-CB 4.4Å; F188-L199 HydrophobicContact CZ-CD1 3.89Å; F188-L199 HydrophobicContact CZ-CD2 4.39Å; F188-L199 HydrophobicContact CZ-CG 4.46Å; F188-F233 VanDerWaalsContact C-CE2 3.43Å; F188-F233 VanDerWaalsContact O-CE2 3.29Å; F188-F233 WeakPolarHBondContact O-CE2 3.43Å
189N90.8Very high82.6Confident3 Ų347.1 Ų47.12%0.01627%0.273CS..  trans-67.2122.7175.4-170.4-23.7000109.8P148 F191 T197 S198 F233 G237P148-N189 WeakPolarHBondContact CG-O 3.45Å; N189-F191 PolarHBondContact O-N 2.97Å; N189-F191 VanDerWaalsContact OD1-CB 3.23Å; N189-F191 WeakPolarHBondContact OD1-CB 3.4Å; N189-F191 PolarHBondContact OD1-N 2.79Å; N189-T197 WeakPolarHBondContact O-CG2 3.37Å; N189-S198 WeakPolarHBondContact CB-O 3.45Å; N189-S198 WeakPolarHBondContact CB-OG 3.49Å; N189-S198 PolarHBondContact N-O 2.88Å; N189-F233 HydrophobicContact CB-CD1 4.29Å; N189-F233 HydrophobicContact CB-CE1 3.6Å; N189-F233 HydrophobicContact CB-CE2 4.22Å; N189-F233 HydrophobicContact CB-CZ 3.56Å; N189-F233 VanDerWaalsContact CG-CE1 3.47Å; N189-G237 PolarHBondContact ND2-O 2.96Å; N189-G237 WeakPolarHBondContact OD1-CA 3.49Å; N189-G237 PolarHBondContact OD1-O 2.97Å
190P85.8Confident83.3Confident61 Ų6144.7 Ų44.740%0.39626%0.257SS..  trans-68.9-12.1178.229.2-35.7000113.9F188 H192 F233F188-P190 WeakPolarHBondContact O-CD 3.45Å; P190-H192 PolarHBondContact O-N 2.91Å; P190-F233 VanDerWaalsContact CD-CG 3.46Å; P190-F233 HydrophobicContact CG-CB 3.88Å; P190-F233 HydrophobicContact CG-CG 4.31Å
191F77.7Confident83.8Confident81 Ų8142.7 Ų42.736%0.35524%0.236SC..SBendtrans-70.4123.3-179.4-169.5-99.4000112.3N189 E193 N236N189-F191 PolarHBondContact O-N 2.97Å; N189-F191 VanDerWaalsContact OD1-CB 3.23Å; N189-F191 WeakPolarHBondContact OD1-CB 3.4Å; N189-F191 PolarHBondContact OD1-N 2.79Å; F191-E193 HydrophobicContact CD1-CB 4.19Å; F191-E193 HydrophobicContact CE1-CB 4.36Å; F191-E193 PolarHBondContact O-N 3.46Å; F191-N236 WeakPolarHBondContact CA-O 3.48Å; F191-N236 VanDerWaalsContact CB-O 3.28Å; F191-N236 WeakPolarHBondContact CB-O 3.46Å; F191-N236 WeakPolarHBondContact CD2-O 3.49Å
192H68.2Low84Confident138 Ų13841.3 Ų41.364%0.63923%0.226SC*.  trans-76.798.7173.6-70.9-78.2000111.2P190P190-H192 PolarHBondContact O-N 2.91Å
193E61.9Low83.7Confident57 Ų5740.3 Ų40.327%0.26622%0.22SC..  trans-96142.4174-161.8166.8-167.700111.5F191 L195 G196 R254F191-E193 HydrophobicContact CD1-CB 4.19Å; F191-E193 HydrophobicContact CE1-CB 4.36Å; F191-E193 PolarHBondContact O-N 3.46Å; E193-L195 HydrophobicContact CG-CB 4.14Å; E193-L195 HydrophobicContact CG-CD1 4.45Å; E193-L195 PolarHBondContact O-N 2.96Å; E193-G196 PolarHBondContact O-N 3.33Å; E193-R254 IonicContact OE1-CZ 3.53Å; E193-R254 IonicContact OE1-NH1 3.63Å; E193-R254 IonicContact OE1-NH2 2.7Å; E193-R254 PolarHBondContact OE1-NH2 2.73Å; E193-R254 IonicContact OE2-CZ 3.45Å; E193-R254 IonicContact OE2-NH1 3.15Å; E193-R254 IonicContact OE2-NH2 3.54Å; E193-R254 PolarHBondContact OE2-NH2 2.81Å; E193-R254 VanDerWaalsContact OE2-NH2 3.07Å
194P62.4Low83.3Confident133 Ų13345 Ų4586%0.86424%0.237SC*.THydrogen-bonded Turntrans-61.5-24.117122-33.2000113.7
195L56.8Low82.7Confident154 Ų15442.4 Ų42.481%0.80623%0.232SC*.THydrogen-bonded Turntrans-85.4-2.9179.1-74.8133.3000114E193E193-L195 HydrophobicContact CG-CB 4.14Å; E193-L195 HydrophobicContact CG-CD1 4.45Å; E193-L195 PolarHBondContact O-N 2.96Å
196G70.1Confident82.2Confident38 Ų3843.3 Ų43.339%0.39224%0.241SC..  trans110.5163.3179.200000114.5E193E193-G196 PolarHBondContact O-N 3.33Å
197T81.4Confident81.8Confident20 Ų2043.5 Ų43.512%0.12324%0.244CC..  trans-80.4138179.2-56.10000110.4P148 F188 N189P148-T197 VanDerWaalsContact CD-CG2 3.48Å; P148-T197 HydrophobicContact CG-CG2 3.87Å; F188-T197 HydrophobicContact CB-CG2 4.21Å; F188-T197 HydrophobicContact CD1-CG2 3.92Å; F188-T197 HydrophobicContact CG-CG2 4.49Å; N189-T197 WeakPolarHBondContact O-CG2 3.37Å
198S87.9Confident81.5Confident15 Ų1543 Ų4311%0.10524%0.239CC..EExtended strand (participates in β ladder)trans-100.4144.8174.549.90000111.9F188 N189 Y211F188-S198 WeakPolarHBondContact CA-O 3.44Å; N189-S198 WeakPolarHBondContact CB-O 3.45Å; N189-S198 WeakPolarHBondContact CB-OG 3.49Å; N189-S198 PolarHBondContact N-O 2.88Å; S198-Y211 CarbonylContact C-O 3.51Å; S198-Y211 VanDerWaalsContact CA-O 3.32Å; S198-Y211 WeakPolarHBondContact CA-O 3.33Å
199L92.3Very high81.3Confident0 Ų042.6 Ų42.60%024%0.237CC..EExtended strand (participates in β ladder)trans-106.8124.8171.4-179.770.9000108.6A154 I162 Y164 L186 F188 V201 F210 Y211A154-L199 HydrophobicContact CB-CD1 4.37Å; A154-L199 HydrophobicContact CB-CD2 4.04Å; I162-L199 HydrophobicContact CG2-CD2 4.02Å; Y164-L199 HydrophobicContact CE1-CD2 4.31Å; Y164-L199 WeakPolarHBondContact OH-CD2 3.39Å; L186-L199 HydrophobicContact CB-CD1 4.25Å; L186-L199 HydrophobicContact CD1-CD1 4.23Å; F188-L199 HydrophobicContact CD1-CB 3.81Å; F188-L199 HydrophobicContact CD1-CD1 3.81Å; F188-L199 HydrophobicContact CD1-CG 4.4Å; F188-L199 HydrophobicContact CD2-CD1 3.76Å; F188-L199 HydrophobicContact CE1-CB 3.71Å; F188-L199 HydrophobicContact CE1-CD1 3.87Å; F188-L199 HydrophobicContact CE1-CD2 4.49Å; F188-L199 HydrophobicContact CE1-CG 4.23Å; F188-L199 HydrophobicContact CE2-CD1 3.83Å; F188-L199 HydrophobicContact CG-CD1 3.77Å; F188-L199 HydrophobicContact CZ-CB 4.4Å; F188-L199 HydrophobicContact CZ-CD1 3.89Å; F188-L199 HydrophobicContact CZ-CD2 4.39Å; F188-L199 HydrophobicContact CZ-CG 4.46Å; L199-V201 HydrophobicContact CD2-CG2 3.85Å; L199-V201 HydrophobicContact CG-CG2 3.91Å; L199-F210 WeakPolarHBondContact O-CA 3.49Å; L199-Y211 PolarHBondContact N-O 3.37Å; L199-Y211 PolarHBondContact O-N 2.62Å
200V92.9Very high81.3Confident0 Ų042.6 Ų42.60%024%0.237CC..EExtended strand (participates in β ladder)trans-95.9130.5171.31790000108.5L186 A187 M208 A209 F210 L231 F233L186-V200 VanDerWaalsContact CA-O 3.26Å; L186-V200 WeakPolarHBondContact CA-O 3.33Å; A187-V200 PolarHBondContact N-O 2.92Å; A187-V200 PolarHBondContact O-N 3.29Å; V200-M208 HydrophobicContact CG1-CG 3.67Å; V200-M208 HydrophobicContact CG1-SD 3.95Å; V200-A209 WeakPolarHBondContact CA-O 3.2Å; V200-F210 HydrophobicContact CG2-CD1 3.72Å; V200-F210 HydrophobicContact CG2-CE1 3.57Å; V200-F210 HydrophobicContact CG2-CZ 4.49Å; V200-L231 HydrophobicContact CB-CD1 4.08Å; V200-L231 HydrophobicContact CG1-CD1 4.15Å; V200-L231 HydrophobicContact CG1-CD2 4.34Å; V200-F233 HydrophobicContact CB-CZ 4.24Å; V200-F233 HydrophobicContact CG2-CE1 4.25Å; V200-F233 HydrophobicContact CG2-CZ 3.61Å
201V92.8Very high81.5Confident0 Ų040.1 Ų40.10%022%0.22CC..EExtended strand (participates in β ladder)trans-122.6128.7-176.7-1770000109I162 V183 L186 L199 A209 Y211I162-V201 HydrophobicContact CD1-CB 4.48Å; I162-V201 HydrophobicContact CD1-CG1 4.09Å; I162-V201 HydrophobicContact CD1-CG2 3.74Å; V183-V201 HydrophobicContact CG1-CG1 3.63Å; V183-V201 HydrophobicContact CG2-CG1 4.26Å; L186-V201 HydrophobicContact CB-CG2 4.49Å; L199-V201 HydrophobicContact CD2-CG2 3.85Å; L199-V201 HydrophobicContact CG-CG2 3.91Å; V201-A209 HydrophobicContact CB-CB 4.42Å; V201-A209 PolarHBondContact N-O 3.48Å; V201-A209 PolarHBondContact O-N 2.91Å; V201-Y211 HydrophobicContact CB-CD2 4.41Å; V201-Y211 HydrophobicContact CB-CE2 4.44Å; V201-Y211 HydrophobicContact CG2-CD2 3.74Å; V201-Y211 HydrophobicContact CG2-CE2 4.17Å
202L92.1Very high82.1Confident0 Ų037.8 Ų37.80%021%0.211CC..EExtended strand (participates in β ladder)trans-109122.7171.2-61.7-178000108.8W184 H185 M208 P228 L231 V242W184-L202 PolarHBondContact N-O 3.25Å; H185-L202 HydrophobicContact CB-CB 4.34Å; H185-L202 HydrophobicContact CB-CD1 4.21Å; H185-L202 PolarHBondContact N-O 3.3Å; H185-L202 PolarHBondContact O-N 3.31Å; L202-M208 HydrophobicContact CD2-CB 4.07Å; L202-M208 HydrophobicContact CD2-CE 4.49Å; L202-M208 HydrophobicContact CD2-CG 3.9Å; L202-P228 HydrophobicContact CB-CB 4.36Å; L202-P228 HydrophobicContact CB-CG 3.97Å; L202-P228 HydrophobicContact CD1-CB 3.76Å; L202-P228 HydrophobicContact CD1-CG 4.29Å; L202-P228 HydrophobicContact CD2-CB 3.85Å; L202-P228 HydrophobicContact CD2-CG 3.83Å; L202-P228 HydrophobicContact CG-CB 4.19Å; L202-P228 HydrophobicContact CG-CG 4.22Å; L202-L231 HydrophobicContact CD1-CB 3.74Å; L202-L231 HydrophobicContact CD1-CD2 3.68Å; L202-L231 HydrophobicContact CD1-CG 4.32Å; L202-L231 HydrophobicContact CG-CB 4.46Å; L202-L231 HydrophobicContact CG-CD2 3.67Å; L202-V242 HydrophobicContact CD1-CG1 4.19Å; L202-V242 HydrophobicContact CD2-CG1 4.4Å
203D85.7Confident82.9Confident1 Ų133 Ų331%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-116.7168.6173.659.310.9000111.5R177 S179 T182 S205R177-D203 IonicContact CZ-OD2 2.81Å; R177-D203 VanDerWaalsContact CZ-OD2 3.26Å; R177-D203 IonicContact NE-OD2 3.47Å; R177-D203 PolarHBondContact NE-OD2 3.29Å; R177-D203 IonicContact NH2-OD1 3.78Å; R177-D203 IonicContact NH2-OD2 3.86Å; R177-D203 PolarHBondContact NH2-OD2 3.25Å; S179-D203 PolarHBondContact OG-OD2 3.44Å; S179-D203 VanDerWaalsContact OG-OD2 3.12Å; T182-D203 VanDerWaalsContact O-CA 3.28Å; T182-D203 WeakPolarHBondContact O-CA 3.36Å; D203-S205 PolarHBondContact O-N 3.12Å; D203-S205 PolarHBondContact OD1-OG 3.02Å; D203-S205 PolarHBondContact OD2-OG 2.96Å; D203-S205 VanDerWaalsContact OD2-OG 3.08Å
204W82.9Confident84.1Confident98 Ų9836.3 Ų36.337%0.37121%0.211SC..THydrogen-bonded Turntrans-75.96.1174.7-80.678.4000113.9T182 W184 D227 L229T182-W204 PolarHBondContact O-N 2.97Å; T182-W204 VanDerWaalsContact O-N 3.15Å; T182-W204 VanDerWaalsContact OG1-CB 3.32Å; T182-W204 WeakPolarHBondContact OG1-CB 3.35Å; W184-W204 AromaticContact CD2-NE1 3.55Å; W184-W204 HydrophobicContact CE3-CZ2 4.34Å; W184-W204 AromaticContact CE3-NE1 3.22Å; W184-W204 AromaticContact CG-NE1 3.76Å; W204-D227 HydrophobicContact CE3-CB 4.26Å; W204-D227 HydrophobicContact CZ3-CB 4.17Å; W204-L229 HydrophobicContact CH2-CD2 4.36Å; W204-L229 HydrophobicContact CZ2-CD2 4.09Å
205S79.7Confident85.3Confident28 Ų2830.5 Ų30.520%0.19618%0.176CC..THydrogen-bonded Turntrans-86.4121.9155.3680000105.1D203 A207D203-S205 PolarHBondContact O-N 3.12Å; D203-S205 PolarHBondContact OD1-OG 3.02Å; D203-S205 PolarHBondContact OD2-OG 2.96Å; D203-S205 VanDerWaalsContact OD2-OG 3.08Å; S205-A207 WeakPolarHBondContact O-CA 3.45Å; S205-A207 WeakPolarHBondContact O-CB 3.46Å; S205-A207 PolarHBondContact O-N 3.18Å
206P82.5Confident86.8Confident58 Ų5829.8 Ų29.838%0.37717%0.168SC..THydrogen-bonded Turntrans-62.682-170.326.1-36.8000111.2K223 L224 Y226P206-K223 CarbonylContact O-C 3.5Å; P206-K223 WeakPolarHBondContact O-CA 3.17Å; P206-L224 WeakPolarHBondContact CB-O 3.5Å; P206-L224 PolarHBondContact O-N 2.81Å; P206-Y226 WeakPolarHBondContact CB-O 3.39Å
207A85.2Confident87.6Confident7 Ų732.1 Ų32.16%0.05817%0.168CC..EExtended strand (participates in β ladder)trans-161.4148.3-163.600000110.5S205 D221 L222S205-A207 WeakPolarHBondContact O-CA 3.45Å; S205-A207 WeakPolarHBondContact O-CB 3.46Å; S205-A207 PolarHBondContact O-N 3.18Å; A207-D221 HydrophobicContact CB-CB 4.37Å; A207-L222 CarbonylContact C-O 3.57Å; A207-L222 WeakPolarHBondContact CA-O 3.42Å
208M88.2Confident87.8Confident1 Ų135.5 Ų35.51%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-117.8126173.3-175-172.9-4300108.8V200 L202 F210 L222 L224 V242V200-M208 HydrophobicContact CG1-CG 3.67Å; V200-M208 HydrophobicContact CG1-SD 3.95Å; L202-M208 HydrophobicContact CD2-CB 4.07Å; L202-M208 HydrophobicContact CD2-CE 4.49Å; L202-M208 HydrophobicContact CD2-CG 3.9Å; M208-F210 HydrophobicContact CG-CE2 4Å; M208-F210 HydrophobicContact CG-CZ 4.03Å; M208-F210 HydrophobicContact SD-CE1 4.43Å; M208-F210 HydrophobicContact SD-CE2 4.03Å; M208-F210 HydrophobicContact SD-CZ 3.54Å; M208-F210 VanDerWaalsContact SD-CZ 3.54Å; M208-L222 HydrophobicContact CB-CB 4.37Å; M208-L222 PolarHBondContact N-O 2.97Å; M208-L222 PolarHBondContact O-N 3.33Å; M208-L224 HydrophobicContact CB-CD1 4.38Å; M208-L224 HydrophobicContact CE-CD1 4.23Å; M208-L224 HydrophobicContact CE-CD2 4.35Å; M208-V242 HydrophobicContact CE-CB 4.36Å; M208-V242 HydrophobicContact CE-CG2 3.56Å
209A90.2Very high87.5Confident1 Ų137.6 Ų37.61%0.00819%0.194CC..EExtended strand (participates in β ladder)trans-116.4151.7-178.700000111.6V200 V201 Y211 D221V200-A209 WeakPolarHBondContact CA-O 3.2Å; V201-A209 HydrophobicContact CB-CB 4.42Å; V201-A209 PolarHBondContact N-O 3.48Å; V201-A209 PolarHBondContact O-N 2.91Å; A209-Y211 HydrophobicContact CB-CD2 4.39Å; A209-Y211 HydrophobicContact CB-CE2 3.73Å; A209-D221 WeakPolarHBondContact CB-OD1 3.4Å
210F90.9Very high87.2Confident3 Ų345.7 Ų45.71%0.01323%0.231CC..EExtended strand (participates in β ladder)trans-124.4122.7-178-61.1-97.7000110L199 V200 M208 I218 L219 L222 R254L199-F210 WeakPolarHBondContact O-CA 3.49Å; V200-F210 HydrophobicContact CG2-CD1 3.72Å; V200-F210 HydrophobicContact CG2-CE1 3.57Å; V200-F210 HydrophobicContact CG2-CZ 4.49Å; M208-F210 HydrophobicContact CG-CE2 4Å; M208-F210 HydrophobicContact CG-CZ 4.03Å; M208-F210 HydrophobicContact SD-CE1 4.43Å; M208-F210 HydrophobicContact SD-CE2 4.03Å; M208-F210 HydrophobicContact SD-CZ 3.54Å; M208-F210 VanDerWaalsContact SD-CZ 3.54Å; F210-I218 HydrophobicContact CB-CB 4.26Å; F210-I218 PolarHBondContact O-N 2.83Å; F210-L219 HydrophobicContact CB-CB 4.3Å; F210-L219 HydrophobicContact CB-CD1 4.45Å; F210-L219 HydrophobicContact CD1-CD1 4.44Å; F210-L219 HydrophobicContact CD2-CB 4.05Å; F210-L219 HydrophobicContact CD2-CD1 3.92Å; F210-L219 HydrophobicContact CE2-CD1 4.31Å; F210-L219 HydrophobicContact CG-CB 4.42Å; F210-L219 HydrophobicContact CG-CD1 4.02Å; F210-L222 HydrophobicContact CE2-CD1 3.66Å; F210-L222 HydrophobicContact CE2-CG 4.25Å; F210-L222 HydrophobicContact CZ-CD1 4.2Å; F210-R254 VanDerWaalsContact CE1-O 3.26Å; F210-R254 WeakPolarHBondContact CE1-O 3.05Å
211Y90.6Very high86.8Confident9 Ų947.9 Ų47.94%0.03524%0.243CC..EExtended strand (participates in β ladder)trans-121.1158.2177.7-67.7-87.7000110.4I162 V175 R177 S198 L199 V201 A209 G215 Q216 K217 I218I162-Y211 HydrophobicContact CD1-CD2 4.1Å; I162-Y211 HydrophobicContact CD1-CE2 3.96Å; V175-Y211 HydrophobicContact CG1-CD1 4.06Å; V175-Y211 HydrophobicContact CG1-CE1 3.58Å; R177-Y211 VanDerWaalsContact CD-OH 3.26Å; R177-Y211 WeakPolarHBondContact CD-OH 3.36Å; R177-Y211 PolarHBondContact NH1-OH 3.23Å; S198-Y211 CarbonylContact C-O 3.51Å; S198-Y211 VanDerWaalsContact CA-O 3.32Å; S198-Y211 WeakPolarHBondContact CA-O 3.33Å; L199-Y211 PolarHBondContact N-O 3.37Å; L199-Y211 PolarHBondContact O-N 2.62Å; V201-Y211 HydrophobicContact CB-CD2 4.41Å; V201-Y211 HydrophobicContact CB-CE2 4.44Å; V201-Y211 HydrophobicContact CG2-CD2 3.74Å; V201-Y211 HydrophobicContact CG2-CE2 4.17Å; A209-Y211 HydrophobicContact CB-CD2 4.39Å; A209-Y211 HydrophobicContact CB-CE2 3.73Å; Y211-G215 WeakPolarHBondContact CD1-O 3.21Å; Y211-Q216 CarbonylContact C-O 3.37Å; Y211-Q216 VanDerWaalsContact CA-O 3.29Å; Y211-Q216 WeakPolarHBondContact CA-O 3.45Å; Y211-K217 HydrophobicContact CD1-CB 4.23Å; Y211-K217 HydrophobicContact CE1-CB 3.95Å; Y211-I218 WeakPolarHBondContact O-CD1 3.44Å
212D89Confident86.4Confident32 Ų3250.7 Ų50.717%0.17126%0.258CS..EExtended strand (participates in β ladder)trans-91-176.3167.271.63.9000111.3Y164 N214 G215 Q216 I218Y164-D212 PolarHBondContact OH-O 2.86Å; D212-N214 PolarHBondContact O-N 3.48Å; D212-N214 VanDerWaalsContact OD1-CA 3.31Å; D212-N214 WeakPolarHBondContact OD1-CA 3.41Å; D212-N214 WeakPolarHBondContact OD1-CB 3.44Å; D212-N214 PolarHBondContact OD1-N 2.95Å; D212-G215 PolarHBondContact O-N 3.25Å; D212-G215 PolarHBondContact OD1-N 3.39Å; D212-Q216 PolarHBondContact N-O 2.74Å; D212-Q216 PolarHBondContact OD1-N 3.43Å; D212-I218 HydrophobicContact CB-CD1 4.11Å; D212-I218 HydrophobicContact CB-CG1 4.23Å
213V85.7Confident86Confident37 Ų3759.9 Ų59.922%0.22430%0.298CS..THydrogen-bonded Turntrans-67.2-22.7176.3-1740000112.2T147 Y152 Y164 G215T147-V213 HydrophobicContact CG2-CG1 4.46Å; Y152-V213 HydrophobicContact CD2-CG1 3.9Å; Y152-V213 HydrophobicContact CE2-CG1 4.39Å; Y164-V213 WeakPolarHBondContact CE1-O 3.3Å; V213-G215 VanDerWaalsContact C-N 3.31Å
214N87.6Confident86Confident127 Ų12760.9 Ų60.968%0.67930%0.303SS*.THydrogen-bonded Turntrans-90.46178.3-58.7-37.5000112.7L173 D212 Q216L173-N214 WeakPolarHBondContact CD2-O 3.44Å; D212-N214 PolarHBondContact O-N 3.48Å; D212-N214 VanDerWaalsContact OD1-CA 3.31Å; D212-N214 WeakPolarHBondContact OD1-CA 3.41Å; D212-N214 WeakPolarHBondContact OD1-CB 3.44Å; D212-N214 PolarHBondContact OD1-N 2.95Å; N214-Q216 VanDerWaalsContact C-N 3.26Å; N214-Q216 PolarHBondContact O-N 2.89Å
215G85.9Confident86.1Confident12 Ų1265.7 Ų65.712%0.12433%0.33CS..SBendtrans71.712.4-178.900000115.6V175 Y211 D212 V213V175-G215 VanDerWaalsContact CG2-CA 3.46Å; Y211-G215 WeakPolarHBondContact CD1-O 3.21Å; D212-G215 PolarHBondContact O-N 3.25Å; D212-G215 PolarHBondContact OD1-N 3.39Å; V213-G215 VanDerWaalsContact C-N 3.31Å
216Q89.5Confident86.5Confident139 Ų13965.5 Ų65.565%0.6533%0.325SS*.  trans-79137171.9-169.7173.52.600110.2Y211 D212 N214Y211-Q216 CarbonylContact C-O 3.37Å; Y211-Q216 VanDerWaalsContact CA-O 3.29Å; Y211-Q216 WeakPolarHBondContact CA-O 3.45Å; D212-Q216 PolarHBondContact N-O 2.74Å; D212-Q216 PolarHBondContact OD1-N 3.43Å; N214-Q216 VanDerWaalsContact C-N 3.26Å; N214-Q216 PolarHBondContact O-N 2.89Å
217K86.9Confident86.8Confident86 Ų8665 Ų6537%0.37432%0.319SS..EExtended strand (participates in β ladder)trans-74.1126.2177.8-177.7168.7170.9170.90110.5Y211 L219 D221Y211-K217 HydrophobicContact CD1-CB 4.23Å; Y211-K217 HydrophobicContact CE1-CB 3.95Å; K217-L219 WeakPolarHBondContact CE-O 3.43Å; K217-L219 VanDerWaalsContact CG-O 3.24Å; K217-L219 WeakPolarHBondContact CG-O 3.49Å; K217-D221 WeakPolarHBondContact CE-OD1 3.36Å; K217-D221 IonicContact NZ-OD1 3.55Å; K217-D221 PolarHBondContact NZ-OD1 3.34Å; K217-D221 IonicContact NZ-OD2 3.26Å; K217-D221 PolarHBondContact NZ-OD2 2.71Å
218I85.6Confident87.2Confident91 Ų9164.9 Ų64.947%0.46732%0.318SS..EExtended strand (participates in β ladder)trans-88.8-43.9-176.3-54.9174.5000111.6F210 Y211 D212F210-I218 HydrophobicContact CB-CB 4.26Å; F210-I218 PolarHBondContact O-N 2.83Å; Y211-I218 WeakPolarHBondContact O-CD1 3.44Å; D212-I218 HydrophobicContact CB-CD1 4.11Å; D212-I218 HydrophobicContact CB-CG1 4.23Å
219L82.4Confident87.4Confident60 Ų6064.9 Ų64.931%0.31432%0.318SS..EExtended strand (participates in β ladder)trans-129.4158.3-175.1-63.6173000110.2F210 K217 K255F210-L219 HydrophobicContact CB-CB 4.3Å; F210-L219 HydrophobicContact CB-CD1 4.45Å; F210-L219 HydrophobicContact CD1-CD1 4.44Å; F210-L219 HydrophobicContact CD2-CB 4.05Å; F210-L219 HydrophobicContact CD2-CD1 3.92Å; F210-L219 HydrophobicContact CE2-CD1 4.31Å; F210-L219 HydrophobicContact CG-CB 4.42Å; F210-L219 HydrophobicContact CG-CD1 4.02Å; K217-L219 WeakPolarHBondContact CE-O 3.43Å; K217-L219 VanDerWaalsContact CG-O 3.24Å; K217-L219 WeakPolarHBondContact CG-O 3.49Å; L219-K255 HydrophobicContact CD1-CB 4.02Å; L219-K255 WeakPolarHBondContact CD1-O 3.47Å
220E85Confident87.5Confident169 Ų16964.9 Ų64.979%0.7932%0.317SS*.EExtended strand (participates in β ladder)trans-62153.9168-68.6-170.3169.400111.5L222E220-L222 PolarHBondContact O-N 2.94Å
221D84.2Confident87.6Confident46 Ų4664.7 Ų64.725%0.24632%0.317CS..EExtended strand (participates in β ladder)trans-69.3121.8-177.5-69.5-6.5000109.1R177 A207 A209 K217 K223R177-D221 IonicContact CZ-OD1 2.69Å; R177-D221 IonicContact CZ-OD2 3.47Å; R177-D221 IonicContact NH1-OD1 2.74Å; R177-D221 PolarHBondContact NH1-OD1 2.66Å; R177-D221 IonicContact NH1-OD2 2.84Å; R177-D221 PolarHBondContact NH1-OD2 2.72Å; R177-D221 IonicContact NH2-OD1 2.97Å; R177-D221 IonicContact NH2-OD2 3.07Å; R177-D221 PolarHBondContact NH2-OD2 2.65Å; A207-D221 HydrophobicContact CB-CB 4.37Å; A209-D221 WeakPolarHBondContact CB-OD1 3.4Å; K217-D221 WeakPolarHBondContact CE-OD1 3.36Å; K217-D221 IonicContact NZ-OD1 3.55Å; K217-D221 PolarHBondContact NZ-OD1 3.34Å; K217-D221 IonicContact NZ-OD2 3.26Å; K217-D221 PolarHBondContact NZ-OD2 2.71Å; D221-K223 PolarHBondContact O-N 3.29Å
222L84.8Confident87.8Confident60 Ų6065.8 Ų65.831%0.31432%0.323SS..EExtended strand (participates in β ladder)trans-83.1108.1-180-64177.3000109.4A207 M208 F210 E220 L224 G256A207-L222 CarbonylContact C-O 3.57Å; A207-L222 WeakPolarHBondContact CA-O 3.42Å; M208-L222 HydrophobicContact CB-CB 4.37Å; M208-L222 PolarHBondContact N-O 2.97Å; M208-L222 PolarHBondContact O-N 3.33Å; F210-L222 HydrophobicContact CE2-CD1 3.66Å; F210-L222 HydrophobicContact CE2-CG 4.25Å; F210-L222 HydrophobicContact CZ-CD1 4.2Å; E220-L222 PolarHBondContact O-N 2.94Å; L222-L224 PolarHBondContact O-N 3.33Å; L222-G256 VanDerWaalsContact CD1-C 3.46Å; L222-G256 VanDerWaalsContact CD1-O 3.24Å; L222-G256 WeakPolarHBondContact CD1-O 3.19Å
223K83.7Confident87.9Confident192 Ų19265.1 Ų65.184%0.83532%0.319SS*.EExtended strand (participates in β ladder)trans-66.6120.5179.3-64.5-179.1-179.3179.70110.7P206 D221P206-K223 CarbonylContact O-C 3.5Å; P206-K223 WeakPolarHBondContact O-CA 3.17Å; D221-K223 PolarHBondContact O-N 3.29Å
224L85.9Confident87.8Confident23 Ų2363.6 Ų63.612%0.1231%0.309CS..  trans-92.4159.3170.5-60.3176.1000109P206 M208 L222 Y226 P228 V242P206-L224 WeakPolarHBondContact CB-O 3.5Å; P206-L224 PolarHBondContact O-N 2.81Å; M208-L224 HydrophobicContact CB-CD1 4.38Å; M208-L224 HydrophobicContact CE-CD1 4.23Å; M208-L224 HydrophobicContact CE-CD2 4.35Å; L222-L224 PolarHBondContact O-N 3.33Å; L224-Y226 VanDerWaalsContact C-N 3.32Å; L224-Y226 HydrophobicContact CB-CE1 4.42Å; L224-P228 HydrophobicContact CD1-CB 3.76Å; L224-P228 HydrophobicContact CD1-CG 3.84Å; L224-V242 HydrophobicContact CD1-CG1 4.31Å
225Q84.4Confident87.6Confident199 Ų19960.2 Ų60.293%0.9329%0.29SS*.SBendtrans-93.37.2178.8-65.1-177.2-6.800112.9
226Y88.4Confident87.4Confident24 Ų2466 Ų669%0.09432%0.318CS..SBendtrans-152.4166.1-174.561.3-84.6000109.4P206 L224 P228 V242 N250P206-Y226 WeakPolarHBondContact CB-O 3.39Å; L224-Y226 VanDerWaalsContact C-N 3.32Å; L224-Y226 HydrophobicContact CB-CE1 4.42Å; Y226-P228 HydrophobicContact CE2-CB 4.43Å; Y226-P228 VanDerWaalsContact O-CD 3.31Å; Y226-P228 WeakPolarHBondContact O-CD 3.47Å; Y226-V242 HydrophobicContact CE2-CG1 4.47Å; Y226-V242 PolarHBondContact OH-O 3.45Å; Y226-N250 VanDerWaalsContact CE1-ND2 3.29Å; Y226-N250 WeakPolarHBondContact CE1-ND2 3.42Å; Y226-N250 PolarHBondContact OH-ND2 3.46Å
227D89.5Confident87.1Confident48 Ų4859.3 Ų59.326%0.25729%0.287SS..  trans-82.3114.4178-47-63.8000109.3W204 G244 S245W204-D227 HydrophobicContact CE3-CB 4.26Å; W204-D227 HydrophobicContact CZ3-CB 4.17Å; D227-G244 WeakPolarHBondContact O-CA 3.35Å; D227-S245 WeakPolarHBondContact CB-OG 3.37Å; D227-S245 PolarHBondContact N-OG 3.15Å; D227-S245 PolarHBondContact O-N 3.25Å; D227-S245 PolarHBondContact O-OG 2.77Å; D227-S245 PolarHBondContact OD2-OG 3.12Å
228P92.6Very high86.9Confident3 Ų357 Ų572%0.01928%0.278CS..EExtended strand (participates in β ladder)trans-80.5123.3-177.735.8-37.5000110.4L202 L224 Y226 V242L202-P228 HydrophobicContact CB-CB 4.36Å; L202-P228 HydrophobicContact CB-CG 3.97Å; L202-P228 HydrophobicContact CD1-CB 3.76Å; L202-P228 HydrophobicContact CD1-CG 4.29Å; L202-P228 HydrophobicContact CD2-CB 3.85Å; L202-P228 HydrophobicContact CD2-CG 3.83Å; L202-P228 HydrophobicContact CG-CB 4.19Å; L202-P228 HydrophobicContact CG-CG 4.22Å; L224-P228 HydrophobicContact CD1-CB 3.76Å; L224-P228 HydrophobicContact CD1-CG 3.84Å; Y226-P228 HydrophobicContact CE2-CB 4.43Å; Y226-P228 VanDerWaalsContact O-CD 3.31Å; Y226-P228 WeakPolarHBondContact O-CD 3.47Å; P228-V242 HydrophobicContact CB-CG1 3.66Å
229L92.3Very high87Confident2 Ų252.9 Ų52.91%0.0126%0.256CS..EExtended strand (participates in β ladder)trans-103-26.8-175.2-63.5176000113W184 W204 G243 W268 I269 W270W184-L229 PolarHBondContact NE1-O 2.9Å; W184-L229 VanDerWaalsContact NE1-O 3.13Å; W204-L229 HydrophobicContact CH2-CD2 4.36Å; W204-L229 HydrophobicContact CZ2-CD2 4.09Å; L229-G243 PolarHBondContact N-O 2.91Å; L229-W268 HydrophobicContact CD1-CE3 4.13Å; L229-I269 WeakPolarHBondContact CD1-O 3.45Å; L229-W270 HydrophobicContact CD1-CD2 4.4Å; L229-W270 HydrophobicContact CD1-CE3 4.15Å; L229-W270 HydrophobicContact CD1-CZ3 4.29Å; L229-W270 HydrophobicContact CD2-CZ3 4.49Å
230C92.4Very high87.4Confident0 Ų050 Ų500%024%0.241CC..EExtended strand (participates in β ladder)trans-143.9149.3-176.359.20000111.7V242 G243 W270 C272C230-V242 WeakPolarHBondContact O-CA 3.35Å; C230-G243 PolarHBondContact N-O 3.39Å; C230-G243 PolarHBondContact O-N 3.35Å; C230-W270 WeakPolarHBondContact CB-O 3.5Å; C230-C272 PolarHBondContact SG-N 3.13Å; C230-C272 PolarHBondContact SG-SG 2.93Å
231L93.9Very high87.8Confident0 Ų042 Ų420%020%0.203CC..EExtended strand (participates in β ladder)trans-139.5149.1171.481.9113.3000111.8H185 A187 V200 L202 F233 V240 I241 V242H185-L231 HydrophobicContact CB-CD2 4.22Å; H185-L231 PolarHBondContact CE1-O 3.01Å; H185-L231 VanDerWaalsContact CE1-O 3.28Å; H185-L231 WeakPolarHBondContact ND1-CD2 3.49Å; H185-L231 VanDerWaalsContact ND1-CG 3.34Å; H185-L231 WeakPolarHBondContact ND1-CG 3.41Å; A187-L231 HydrophobicContact CB-CD1 3.56Å; A187-L231 HydrophobicContact CB-CD2 4.49Å; A187-L231 HydrophobicContact CB-CG 4.12Å; V200-L231 HydrophobicContact CB-CD1 4.08Å; V200-L231 HydrophobicContact CG1-CD1 4.15Å; V200-L231 HydrophobicContact CG1-CD2 4.34Å; L202-L231 HydrophobicContact CD1-CB 3.74Å; L202-L231 HydrophobicContact CD1-CD2 3.68Å; L202-L231 HydrophobicContact CD1-CG 4.32Å; L202-L231 HydrophobicContact CG-CB 4.46Å; L202-L231 HydrophobicContact CG-CD2 3.67Å; L231-F233 HydrophobicContact CD1-CE2 4.1Å; L231-V240 HydrophobicContact CB-CG1 4.48Å; L231-V240 HydrophobicContact CD1-CG1 4.24Å; L231-I241 VanDerWaalsContact CA-O 3.31Å; L231-I241 WeakPolarHBondContact CA-O 3.36Å; L231-V242 HydrophobicContact CB-CG2 4.28Å
232D93.8Very high88.2Confident32 Ų3239.8 Ų39.817%0.17119%0.192CC..EExtended strand (participates in β ladder)trans-149.7151.8169.8-161.828.8000111.8V240 I241 C272 K273 A274D232-V240 WeakPolarHBondContact O-CA 3.32Å; D232-I241 HydrophobicContact CB-CD1 4.11Å; D232-I241 HydrophobicContact CB-CG1 3.89Å; D232-I241 PolarHBondContact N-O 3.23Å; D232-I241 VanDerWaalsContact N-O 3.1Å; D232-I241 WeakPolarHBondContact O-CG1 3.11Å; D232-I241 PolarHBondContact O-N 2.93Å; D232-C272 WeakPolarHBondContact CB-O 3.29Å; D232-K273 HydrophobicContact CB-CD 4.29Å; D232-K273 WeakPolarHBondContact OD2-CA 3.45Å; D232-A274 PolarHBondContact OD2-N 3.44Å
233F91.2Very high88.6Confident18 Ų1836.9 Ų36.98%0.07918%0.177CC..EExtended strand (participates in β ladder)trans-92.5145.3178.2-75.2-83000111.1A187 F188 N189 P190 V200 L231 F239 V240A187-F233 HydrophobicContact CB-CD2 4.24Å; A187-F233 HydrophobicContact CB-CE2 3.9Å; A187-F233 WeakPolarHBondContact O-CE2 3.45Å; F188-F233 VanDerWaalsContact C-CE2 3.43Å; F188-F233 VanDerWaalsContact O-CE2 3.29Å; F188-F233 WeakPolarHBondContact O-CE2 3.43Å; N189-F233 HydrophobicContact CB-CD1 4.29Å; N189-F233 HydrophobicContact CB-CE1 3.6Å; N189-F233 HydrophobicContact CB-CE2 4.22Å; N189-F233 HydrophobicContact CB-CZ 3.56Å; N189-F233 VanDerWaalsContact CG-CE1 3.47Å; P190-F233 VanDerWaalsContact CD-CG 3.46Å; P190-F233 HydrophobicContact CG-CB 3.88Å; P190-F233 HydrophobicContact CG-CG 4.31Å; V200-F233 HydrophobicContact CB-CZ 4.24Å; V200-F233 HydrophobicContact CG2-CE1 4.25Å; V200-F233 HydrophobicContact CG2-CZ 3.61Å; L231-F233 HydrophobicContact CD1-CE2 4.1Å; F233-F239 WeakPolarHBondContact CA-O 3.24Å; F233-V240 HydrophobicContact CD1-CG2 3.58Å; F233-V240 HydrophobicContact CE1-CG2 3.36Å; F233-V240 HydrophobicContact CZ-CG2 4.18Å
234F84.7Confident89.1Confident4 Ų427.8 Ų27.82%0.01814%0.137CC..EExtended strand (participates in β ladder)trans-134.9150.8-175.1175.8-91.3000111.1G237 E238 F239 A274 G278 I281 I295 F297F234-G237 PolarHBondContact O-N 3.35Å; F234-E238 PolarHBondContact O-N 3.5Å; F234-F239 HydrophobicContact CB-CB 4.45Å; F234-F239 HydrophobicContact CD1-CB 4.29Å; F234-F239 HydrophobicContact CD1-CD2 4.08Å; F234-F239 PolarHBondContact N-O 3.15Å; F234-F239 PolarHBondContact O-N 2.91Å; F234-A274 HydrophobicContact CB-CB 4.06Å; F234-A274 HydrophobicContact CD2-CB 3.67Å; F234-A274 HydrophobicContact CG-CB 4.36Å; F234-G278 WeakPolarHBondContact CE2-O 3.25Å; F234-G278 WeakPolarHBondContact CZ-O 3.34Å; F234-I281 HydrophobicContact CE2-CG1 4.46Å; F234-I295 HydrophobicContact CE1-CD1 4.36Å; F234-I295 HydrophobicContact CE2-CD1 3.83Å; F234-I295 HydrophobicContact CZ-CD1 3.58Å; F234-F297 AromaticContact CE1-CZ 4Å; F234-F297 HydrophobicContact CE1-CZ 4Å; F234-F297 HydrophobicContact CZ-CE2 4.4Å; F234-F297 HydrophobicContact CZ-CZ 4.18Å
235M82.1Confident89.4Confident56 Ų5627.6 Ų27.628%0.27614%0.138SC..THydrogen-bonded Turntrans47.763.3-172.5-75.3-179.1172.500112.9G237 E238 F239 F297M235-G237 PolarHBondContact O-N 3.2Å; M235-G237 VanDerWaalsContact O-N 3.12Å; M235-E238 PolarHBondContact O-N 3.23Å; M235-F239 HydrophobicContact CB-CD2 4.07Å; M235-F239 HydrophobicContact CB-CE2 4.34Å; M235-F239 HydrophobicContact SD-CD2 4.13Å; M235-F239 HydrophobicContact SD-CE2 3.78Å; M235-F297 HydrophobicContact CE-CD2 4.01Å; M235-F297 HydrophobicContact CE-CE2 3.27Å; M235-F297 HydrophobicContact CE-CZ 3.61Å
236N81.7Confident89.6Confident133 Ų13319.3 Ų19.371%0.71111%0.106SC*.THydrogen-bonded Turntrans55.929179-60.8-12.9000114.2F191F191-N236 WeakPolarHBondContact CA-O 3.48Å; F191-N236 VanDerWaalsContact CB-O 3.28Å; F191-N236 WeakPolarHBondContact CB-O 3.46Å; F191-N236 WeakPolarHBondContact CD2-O 3.49Å
237G82.9Confident89.8Confident0 Ų021.8 Ų21.80%012%0.118CC..THydrogen-bonded Turntrans899.3175.700000115.8N189 F234 M235 F239 R254N189-G237 PolarHBondContact ND2-O 2.96Å; N189-G237 WeakPolarHBondContact OD1-CA 3.49Å; N189-G237 PolarHBondContact OD1-O 2.97Å; F234-G237 PolarHBondContact O-N 3.35Å; M235-G237 PolarHBondContact O-N 3.2Å; M235-G237 VanDerWaalsContact O-N 3.12Å; G237-F239 VanDerWaalsContact C-N 3.34Å; G237-R254 WeakPolarHBondContact O-CB 3.13Å
238E82.9Confident90Very high38 Ų3822.8 Ų22.818%0.17812%0.12CC..THydrogen-bonded Turntrans-72.8-29.1174-168.7170-165.300112.4F234 M235 R254 N313F234-E238 PolarHBondContact O-N 3.5Å; M235-E238 PolarHBondContact O-N 3.23Å; E238-R254 WeakPolarHBondContact O-CB 3.27Å; E238-R254 PolarHBondContact O-N 3.5Å; E238-N313 VanDerWaalsContact CD-ND2 3.35Å; E238-N313 VanDerWaalsContact OE1-CB 3.23Å; E238-N313 WeakPolarHBondContact OE1-CB 3.31Å; E238-N313 PolarHBondContact OE1-ND2 2.96Å; E238-N313 VanDerWaalsContact OE1-ND2 3.13Å; E238-N313 WeakPolarHBondContact OE2-CB 3.39Å; E238-N313 VanDerWaalsContact OE2-CG 3.25Å; E238-N313 PolarHBondContact OE2-ND2 3.2Å
239F87.6Confident90Very high3 Ų322.6 Ų22.61%0.01312%0.119CC..EExtended strand (participates in β ladder)trans-127.9158.8179.7-52.7-75.9000112.2F233 F234 M235 G237 L251 H252 L259 N313 V314 T315F233-F239 WeakPolarHBondContact CA-O 3.24Å; F234-F239 HydrophobicContact CB-CB 4.45Å; F234-F239 HydrophobicContact CD1-CB 4.29Å; F234-F239 HydrophobicContact CD1-CD2 4.08Å; F234-F239 PolarHBondContact N-O 3.15Å; F234-F239 PolarHBondContact O-N 2.91Å; M235-F239 HydrophobicContact CB-CD2 4.07Å; M235-F239 HydrophobicContact CB-CE2 4.34Å; M235-F239 HydrophobicContact SD-CD2 4.13Å; M235-F239 HydrophobicContact SD-CE2 3.78Å; G237-F239 VanDerWaalsContact C-N 3.34Å; F239-L251 HydrophobicContact CB-CD1 3.8Å; F239-L251 HydrophobicContact CG-CD1 4.48Å; F239-H252 CarbonylContact C-O 3.24Å; F239-H252 WeakPolarHBondContact CA-O 3.47Å; F239-H252 WeakPolarHBondContact CB-O 3.26Å; F239-L259 HydrophobicContact CD1-CD1 3.47Å; F239-L259 VanDerWaalsContact CD1-CD1 3.47Å; F239-L259 HydrophobicContact CE1-CD1 3.58Å; F239-N313 VanDerWaalsContact CZ-O 3.29Å; F239-N313 WeakPolarHBondContact CZ-O 3.44Å; F239-V314 HydrophobicContact CE1-CB 4.43Å; F239-V314 HydrophobicContact CZ-CB 4.14Å; F239-V314 HydrophobicContact CZ-CG2 4.27Å; F239-T315 HydrophobicContact CE1-CG2 4.34Å
240V91.3Very high90Very high0 Ų023.2 Ų23.20%012%0.122CC..EExtended strand (participates in β ladder)trans-128.9129.7178.2-174.10000108.8L231 D232 F233 V242 H252L231-V240 HydrophobicContact CB-CG1 4.48Å; L231-V240 HydrophobicContact CD1-CG1 4.24Å; D232-V240 WeakPolarHBondContact O-CA 3.32Å; F233-V240 HydrophobicContact CD1-CG2 3.58Å; F233-V240 HydrophobicContact CE1-CG2 3.36Å; F233-V240 HydrophobicContact CZ-CG2 4.18Å; V240-V242 HydrophobicContact CG1-CG2 3.91Å; V240-H252 PolarHBondContact N-O 3.04Å; V240-H252 PolarHBondContact O-N 2.84Å
241I93.2Very high89.9Confident0 Ų023.3 Ų23.30%012%0.123CC..EExtended strand (participates in β ladder)trans-99.5137.7169.155169.8000109.4L231 D232 V249 N250 L251 C272 I281L231-I241 VanDerWaalsContact CA-O 3.31Å; L231-I241 WeakPolarHBondContact CA-O 3.36Å; D232-I241 HydrophobicContact CB-CD1 4.11Å; D232-I241 HydrophobicContact CB-CG1 3.89Å; D232-I241 PolarHBondContact N-O 3.23Å; D232-I241 VanDerWaalsContact N-O 3.1Å; D232-I241 WeakPolarHBondContact O-CG1 3.11Å; D232-I241 PolarHBondContact O-N 2.93Å; I241-V249 HydrophobicContact CB-CG1 4.12Å; I241-N250 WeakPolarHBondContact CA-O 3.33Å; I241-L251 HydrophobicContact CG2-CD1 3.55Å; I241-C272 HydrophobicContact CD1-CB 4.09Å; I241-I281 HydrophobicContact CD1-CD1 4.31Å; I241-I281 HydrophobicContact CD1-CG1 4.23Å; I241-I281 HydrophobicContact CD1-CG2 3.64Å; I241-I281 HydrophobicContact CG2-CD1 3.84Å
242V93.9Very high89.6Confident0 Ų023.7 Ų23.70%013%0.125CC..EExtended strand (participates in β ladder)trans-133.9123.1-179.9-179.60000109.9L202 M208 L224 Y226 P228 C230 L231 V240 N250L202-V242 HydrophobicContact CD1-CG1 4.19Å; L202-V242 HydrophobicContact CD2-CG1 4.4Å; M208-V242 HydrophobicContact CE-CB 4.36Å; M208-V242 HydrophobicContact CE-CG2 3.56Å; L224-V242 HydrophobicContact CD1-CG1 4.31Å; Y226-V242 HydrophobicContact CE2-CG1 4.47Å; Y226-V242 PolarHBondContact OH-O 3.45Å; P228-V242 HydrophobicContact CB-CG1 3.66Å; C230-V242 WeakPolarHBondContact O-CA 3.35Å; L231-V242 HydrophobicContact CB-CG2 4.28Å; V240-V242 HydrophobicContact CG1-CG2 3.91Å; V242-N250 PolarHBondContact N-O 2.83Å; V242-N250 PolarHBondContact O-N 3.02Å
243G93.1Very high89.2Confident0 Ų022.9 Ų22.90%012%0.121CC..EExtended strand (participates in β ladder)trans-116.9163.617500000111.4L229 C230L229-G243 PolarHBondContact N-O 2.91Å; C230-G243 PolarHBondContact N-O 3.39Å; C230-G243 PolarHBondContact O-N 3.35Å
244G93.4Very high88.7Confident0 Ų025 Ų250%013%0.128CC..EExtended strand (participates in β ladder)trans172.5-148177.100000114.4D227 G246 Q247 I269D227-G244 WeakPolarHBondContact O-CA 3.35Å; G244-G246 PolarHBondContact O-N 3.2Å; G244-Q247 PolarHBondContact O-N 3.39Å; G244-I269 PolarHBondContact O-N 3.08Å
245S91.5Very high88.4Confident19 Ų1930.7 Ų30.713%0.13315%0.153CC..THydrogen-bonded Turntrans-66.3-18-175.465.90000114.1D227 Q247D227-S245 WeakPolarHBondContact CB-OG 3.37Å; D227-S245 PolarHBondContact N-OG 3.15Å; D227-S245 PolarHBondContact O-N 3.25Å; D227-S245 PolarHBondContact O-OG 2.77Å; D227-S245 PolarHBondContact OD2-OG 3.12Å; S245-Q247 PolarHBondContact O-N 3.27Å; S245-Q247 VanDerWaalsContact O-N 3.15Å
246G89.4Confident88.4Confident26 Ų2628.3 Ų28.327%0.26814%0.143SC..THydrogen-bonded Turntrans-733.1177.500000115.1G244 K248G244-G246 PolarHBondContact O-N 3.2Å; G246-K248 WeakPolarHBondContact O-CG 3.45Å; G246-K248 PolarHBondContact O-N 3.1Å
247Q92.6Very high88.5Confident76 Ų7624.3 Ų24.336%0.35512%0.123SC..SBendtrans56.419.5179.8-49.4178.8-26.200114G244 S245 L265 Q266G244-Q247 PolarHBondContact O-N 3.39Å; S245-Q247 PolarHBondContact O-N 3.27Å; S245-Q247 VanDerWaalsContact O-N 3.15Å; Q247-L265 WeakPolarHBondContact CB-O 3.18Å; Q247-L265 PolarHBondContact O-N 2.91Å; Q247-Q266 PolarHBondContact NE2-O 3.45Å
248K92.6Very high88.6Confident68 Ų6829.4 Ų29.430%0.29615%0.146SC..EExtended strand (participates in β ladder)trans-129.5138.9-176.7-70.2176.5-166.5-1470109.9G246 T261 A263 E264 I269G246-K248 WeakPolarHBondContact O-CG 3.45Å; G246-K248 PolarHBondContact O-N 3.1Å; K248-T261 HydrophobicContact CB-CG2 3.92Å; K248-T261 HydrophobicContact CD-CG2 4.24Å; K248-T261 HydrophobicContact CG-CG2 4.04Å; K248-A263 VanDerWaalsContact CA-O 3.32Å; K248-A263 WeakPolarHBondContact CA-O 3.49Å; K248-E264 WeakPolarHBondContact CE-OE1 3.41Å; K248-E264 HydrophobicContact CG-CB 4.26Å; K248-E264 HydrophobicContact CG-CG 4.09Å; K248-E264 VanDerWaalsContact NZ-CD 3.29Å; K248-E264 IonicContact NZ-OE1 3.86Å; K248-E264 PolarHBondContact NZ-OE1 3.16Å; K248-E264 IonicContact NZ-OE2 3.24Å; K248-E264 PolarHBondContact NZ-OE2 3.25Å; K248-I269 VanDerWaalsContact C-CD1 3.43Å
249V93.5Very high88.7Confident0 Ų028 Ų280%014%0.139CC..EExtended strand (participates in β ladder)trans-98.2115.1165178.10000108.1I241 T261 V262 A263 I269 C272 I283I241-V249 HydrophobicContact CB-CG1 4.12Å; V249-T261 CarbonylContact O-C 3.58Å; V249-V262 HydrophobicContact CB-CB 4.42Å; V249-V262 HydrophobicContact CG1-CB 4.28Å; V249-V262 PolarHBondContact O-N 3.4Å; V249-A263 HydrophobicContact CB-CB 4.44Å; V249-A263 PolarHBondContact N-O 3.28Å; V249-I269 HydrophobicContact CG2-CD1 3.58Å; V249-I269 HydrophobicContact CG2-CG1 4.4Å; V249-I269 HydrophobicContact CG2-CG2 4.25Å; V249-C272 HydrophobicContact CG2-CB 4.44Å; V249-I283 HydrophobicContact CB-CD1 4.13Å; V249-I283 HydrophobicContact CG2-CD1 3.54Å; V249-I283 HydrophobicContact CG2-CG1 3.93Å; V249-I283 HydrophobicContact CG2-CG2 3.93Å
250N92Very high88.6Confident14 Ų1429.1 Ų29.18%0.07515%0.147CC..EExtended strand (participates in β ladder)trans-104.2133.6-178.4-69.8-36.6000110.7Y226 I241 V242 H252 F258 T261Y226-N250 VanDerWaalsContact CE1-ND2 3.29Å; Y226-N250 WeakPolarHBondContact CE1-ND2 3.42Å; Y226-N250 PolarHBondContact OH-ND2 3.46Å; I241-N250 WeakPolarHBondContact CA-O 3.33Å; V242-N250 PolarHBondContact N-O 2.83Å; V242-N250 PolarHBondContact O-N 3.02Å; N250-H252 VanDerWaalsContact CB-CE1 3.44Å; N250-H252 WeakPolarHBondContact CB-CE1 3.41Å; N250-H252 PolarHBondContact O-ND1 3Å; N250-F258 HydrophobicContact CB-CD2 4.18Å; N250-F258 HydrophobicContact CB-CE2 3.85Å; N250-T261 WeakPolarHBondContact OD1-CB 3.27Å; N250-T261 PolarHBondContact OD1-OG1 3.34Å
251L89.8Confident88.6Confident2 Ų231.8 Ų31.81%0.0116%0.163CC..EExtended strand (participates in β ladder)trans-92.3127.6174.1-175.170.3000109.6M1 F239 I241 L259 C260 V262M1-L251 HydrophobicContact CE-CD2 3.83Å; M1-L251 HydrophobicContact SD-CD2 3.99Å; F239-L251 HydrophobicContact CB-CD1 3.8Å; F239-L251 HydrophobicContact CG-CD1 4.48Å; I241-L251 HydrophobicContact CG2-CD1 3.55Å; L251-L259 HydrophobicContact CD2-CB 4.39Å; L251-L259 HydrophobicContact CD2-CD1 4.05Å; L251-L259 HydrophobicContact CG-CB 4.43Å; L251-L259 HydrophobicContact CG-CD1 4.14Å; L251-L259 WeakPolarHBondContact O-CB 3.28Å; L251-L259 PolarHBondContact O-N 3.41Å; L251-C260 WeakPolarHBondContact CB-O 3.46Å; L251-C260 PolarHBondContact N-O 3.02Å; L251-C260 PolarHBondContact O-N 3.12Å; L251-V262 HydrophobicContact CB-CG2 3.85Å
252H88.6Confident88.4Confident8 Ų832.1 Ų32.14%0.03717%0.166CC..EExtended strand (participates in β ladder)trans-122.5156.9176-57.182.7000109.9F239 V240 N250 G256 V257 F258F239-H252 CarbonylContact C-O 3.24Å; F239-H252 WeakPolarHBondContact CA-O 3.47Å; F239-H252 WeakPolarHBondContact CB-O 3.26Å; V240-H252 PolarHBondContact N-O 3.04Å; V240-H252 PolarHBondContact O-N 2.84Å; N250-H252 VanDerWaalsContact CB-CE1 3.44Å; N250-H252 WeakPolarHBondContact CB-CE1 3.41Å; N250-H252 PolarHBondContact O-ND1 3Å; H252-G256 PolarHBondContact CD2-O 2.86Å; H252-V257 CarbonylContact C-O 3.21Å; H252-V257 VanDerWaalsContact CA-O 3.24Å; H252-V257 WeakPolarHBondContact CA-O 3.39Å; H252-F258 AromaticContact NE2-CD2 3.73Å
253T84.3Confident88.3Confident15 Ų1532.3 Ų32.39%0.09217%0.167CC..EExtended strand (participates in β ladder)trans-68.9166.4164.863.20000110.4K255 G256 V257 L259 T315T253-K255 PolarHBondContact O-N 3.25Å; T253-K255 PolarHBondContact OG1-N 3.03Å; T253-G256 WeakPolarHBondContact O-CA 3.49Å; T253-G256 PolarHBondContact O-N 2.96Å; T253-V257 HydrophobicContact CG2-CB 4.11Å; T253-V257 PolarHBondContact N-O 2.95Å; T253-V257 WeakPolarHBondContact OG1-CB 3.26Å; T253-V257 PolarHBondContact OG1-N 3.11Å; T253-L259 HydrophobicContact CG2-CD1 3.91Å; T253-L259 HydrophobicContact CG2-CD2 3.72Å; T253-L259 HydrophobicContact CG2-CG 3.93Å; T253-T315 HydrophobicContact CG2-CG2 4.04Å
254R81Confident88.2Confident62 Ų6238.4 Ų38.423%0.23420%0.196CC..THydrogen-bonded Turntrans-55.3-19.4169.870.9177.5-147.1172.912.6115.4E193 F210 G237 E238 G256E193-R254 IonicContact OE1-CZ 3.53Å; E193-R254 IonicContact OE1-NH1 3.63Å; E193-R254 IonicContact OE1-NH2 2.7Å; E193-R254 PolarHBondContact OE1-NH2 2.73Å; E193-R254 IonicContact OE2-CZ 3.45Å; E193-R254 IonicContact OE2-NH1 3.15Å; E193-R254 IonicContact OE2-NH2 3.54Å; E193-R254 PolarHBondContact OE2-NH2 2.81Å; E193-R254 VanDerWaalsContact OE2-NH2 3.07Å; F210-R254 VanDerWaalsContact CE1-O 3.26Å; F210-R254 WeakPolarHBondContact CE1-O 3.05Å; G237-R254 WeakPolarHBondContact O-CB 3.13Å; E238-R254 WeakPolarHBondContact O-CB 3.27Å; E238-R254 PolarHBondContact O-N 3.5Å; R254-G256 VanDerWaalsContact C-N 3.35Å
255K79.7Confident88.2Confident125 Ų12539.4 Ų39.454%0.54320%0.201SC..THydrogen-bonded Turntrans-95.36.5174.8-63.3-171177.1-171.20112.4L219 T253 V257L219-K255 HydrophobicContact CD1-CB 4.02Å; L219-K255 WeakPolarHBondContact CD1-O 3.47Å; T253-K255 PolarHBondContact O-N 3.25Å; T253-K255 PolarHBondContact OG1-N 3.03Å; K255-V257 VanDerWaalsContact C-N 3.32Å; K255-V257 PolarHBondContact O-N 3.44Å
256G80.5Confident88.1Confident6 Ų647 Ų476%0.06224%0.235CC..  trans75.69.2-179.900000116L222 H252 T253 R254 F258L222-G256 VanDerWaalsContact CD1-C 3.46Å; L222-G256 VanDerWaalsContact CD1-O 3.24Å; L222-G256 WeakPolarHBondContact CD1-O 3.19Å; H252-G256 PolarHBondContact CD2-O 2.86Å; T253-G256 WeakPolarHBondContact O-CA 3.49Å; T253-G256 PolarHBondContact O-N 2.96Å; R254-G256 VanDerWaalsContact C-N 3.35Å; G256-F258 PolarHBondContact O-N 3.09Å
257V84.2Confident88.2Confident48 Ų4846.6 Ų46.629%0.29123%0.227SC..  trans-63.4122.5170.4-175.40000109.4H252 T253 K255 S333H252-V257 CarbonylContact C-O 3.21Å; H252-V257 VanDerWaalsContact CA-O 3.24Å; H252-V257 WeakPolarHBondContact CA-O 3.39Å; T253-V257 HydrophobicContact CG2-CB 4.11Å; T253-V257 PolarHBondContact N-O 2.95Å; T253-V257 WeakPolarHBondContact OG1-CB 3.26Å; T253-V257 PolarHBondContact OG1-N 3.11Å; K255-V257 VanDerWaalsContact C-N 3.32Å; K255-V257 PolarHBondContact O-N 3.44Å; V257-S333 WeakPolarHBondContact CG1-O 3.33Å
258F85.6Confident88.2Confident107 Ų10748.1 Ų48.147%0.46923%0.23SC..EExtended strand (participates in β ladder)trans-64.2130.7176.6174.5-101.2000111.4N250 H252 G256N250-F258 HydrophobicContact CB-CD2 4.18Å; N250-F258 HydrophobicContact CB-CE2 3.85Å; H252-F258 AromaticContact NE2-CD2 3.73Å; G256-F258 PolarHBondContact O-N 3.09Å
259L85Confident88.4Confident8 Ų844.9 Ų44.94%0.04222%0.216CC..EExtended strand (participates in β ladder)trans-106.1-58.1179.6-62.5178.6000111.7F239 L251 T253 T315 M335F239-L259 HydrophobicContact CD1-CD1 3.47Å; F239-L259 VanDerWaalsContact CD1-CD1 3.47Å; F239-L259 HydrophobicContact CE1-CD1 3.58Å; L251-L259 HydrophobicContact CD2-CB 4.39Å; L251-L259 HydrophobicContact CD2-CD1 4.05Å; L251-L259 HydrophobicContact CG-CB 4.43Å; L251-L259 HydrophobicContact CG-CD1 4.14Å; L251-L259 WeakPolarHBondContact O-CB 3.28Å; L251-L259 PolarHBondContact O-N 3.41Å; T253-L259 HydrophobicContact CG2-CD1 3.91Å; T253-L259 HydrophobicContact CG2-CD2 3.72Å; T253-L259 HydrophobicContact CG2-CG 3.93Å; L259-T315 HydrophobicContact CD1-CG2 4.44Å; L259-T315 HydrophobicContact CD2-CG2 3.83Å; L259-M335 HydrophobicContact CD2-CB 4.03Å
260C86.2Confident88.4Confident27 Ų2747.5 Ų47.518%0.18223%0.226CC..EExtended strand (participates in β ladder)trans-166.3163-179.761.20000112L251L251-C260 WeakPolarHBondContact CB-O 3.46Å; L251-C260 PolarHBondContact N-O 3.02Å; L251-C260 PolarHBondContact O-N 3.12Å
261T90.1Very high88.5Confident56 Ų5647.1 Ų47.134%0.34422%0.223SC..EExtended strand (participates in β ladder)trans-83.3123.5166.2-55.50000109.4K248 V249 N250 A263K248-T261 HydrophobicContact CB-CG2 3.92Å; K248-T261 HydrophobicContact CD-CG2 4.24Å; K248-T261 HydrophobicContact CG-CG2 4.04Å; V249-T261 CarbonylContact O-C 3.58Å; N250-T261 WeakPolarHBondContact OD1-CB 3.27Å; N250-T261 PolarHBondContact OD1-OG1 3.34Å; T261-A263 VanDerWaalsContact CG2-O 3.29Å; T261-A263 WeakPolarHBondContact CG2-O 3.31Å
262V89.6Confident88.8Confident7 Ų747 Ų474%0.04222%0.223CC..EExtended strand (participates in β ladder)trans-78.3-43.3179.7177.70000110.7M1 C3 V249 L251 I281M1-V262 HydrophobicContact CE-CG2 4.35Å; C3-V262 HydrophobicContact CB-CG1 4.36Å; C3-V262 WeakPolarHBondContact CB-O 3.49Å; V249-V262 HydrophobicContact CB-CB 4.42Å; V249-V262 HydrophobicContact CG1-CB 4.28Å; V249-V262 PolarHBondContact O-N 3.4Å; L251-V262 HydrophobicContact CB-CG2 3.85Å; V262-I281 HydrophobicContact CG1-CD1 3.79Å; V262-I281 HydrophobicContact CG2-CD1 4.2Å
263A90.7Very high89.1Confident4 Ų448.5 Ų48.53%0.03323%0.229CC..EExtended strand (participates in β ladder)trans-147.5144.7-175.300000110K248 V249 T261 I283 Y293K248-A263 VanDerWaalsContact CA-O 3.32Å; K248-A263 WeakPolarHBondContact CA-O 3.49Å; V249-A263 HydrophobicContact CB-CB 4.44Å; V249-A263 PolarHBondContact N-O 3.28Å; T261-A263 VanDerWaalsContact CG2-O 3.29Å; T261-A263 WeakPolarHBondContact CG2-O 3.31Å; A263-I283 HydrophobicContact CB-CD1 3.34Å; A263-Y293 HydrophobicContact CB-CD1 4.42Å; A263-Y293 HydrophobicContact CB-CD2 3.82Å; A263-Y293 HydrophobicContact CB-CE1 4Å; A263-Y293 HydrophobicContact CB-CE2 3.34Å; A263-Y293 HydrophobicContact CB-CG 4.32Å; A263-Y293 VanDerWaalsContact CB-CZ 3.44Å
264E91.8Very high89.5Confident128 Ų12848.4 Ų48.460%0.59823%0.23SC*.EExtended strand (participates in β ladder)trans-125.8122.6171-178.2163.1-162.100106.7K248K248-E264 WeakPolarHBondContact CE-OE1 3.41Å; K248-E264 HydrophobicContact CG-CB 4.26Å; K248-E264 HydrophobicContact CG-CG 4.09Å; K248-E264 VanDerWaalsContact NZ-CD 3.29Å; K248-E264 IonicContact NZ-OE1 3.86Å; K248-E264 PolarHBondContact NZ-OE1 3.16Å; K248-E264 IonicContact NZ-OE2 3.24Å; K248-E264 PolarHBondContact NZ-OE2 3.25Å
265L92.5Very high90Very high21 Ų2146.7 Ų46.711%0.1122%0.224CC..  trans-123.5175.8-173.4-63.1174.4000109.4Q247 I269 I283 C285 L289 V291 Y293Q247-L265 WeakPolarHBondContact CB-O 3.18Å; Q247-L265 PolarHBondContact O-N 2.91Å; L265-I269 HydrophobicContact CD1-CG1 4.38Å; L265-I283 HydrophobicContact CD1-CB 4.27Å; L265-I283 HydrophobicContact CD1-CD1 4.38Å; L265-I283 HydrophobicContact CD1-CG2 3.64Å; L265-C285 WeakPolarHBondContact CD1-SG 3.33Å; L265-L289 HydrophobicContact CD2-CD2 4.45Å; L265-V291 HydrophobicContact CD2-CG2 4.19Å; L265-Y293 HydrophobicContact CD2-CE2 4.45Å
266Q90.1Very high90.3Very high180 Ų18044.2 Ų44.284%0.84122%0.221SC*.SBendtrans-97.9-1.2-176.7-64.2-171.1-2000113.7Q247Q247-Q266 PolarHBondContact NE2-O 3.45Å
267S91.8Very high90.3Very high16 Ų1647.2 Ų47.211%0.11224%0.236CC..SBendtrans-137.5163.1-171.8-169.60000110.9N286 D287S267-N286 WeakPolarHBondContact OG-CB 3.27Å; S267-D287 VanDerWaalsContact CB-OD2 3.25Å; S267-D287 WeakPolarHBondContact CB-OD2 3.43Å; S267-D287 PolarHBondContact OG-N 3.14Å
268W93.7Very high90Very high109 Ų10945 Ų4541%0.41322%0.223SC..  trans-64.9139.5177.5-7417.2000110.2L229 C285 N286L229-W268 HydrophobicContact CD1-CE3 4.13Å; W268-C285 CarbonylContact O-C 3.56Å; W268-C285 VanDerWaalsContact O-CA 3.27Å; W268-C285 WeakPolarHBondContact O-CA 3.33Å; W268-N286 HydrophobicContact CB-CB 4.18Å; W268-N286 PolarHBondContact O-N 3.01Å
269I94.9Very high90Very high0 Ų044 Ų440%022%0.219CC..EExtended strand (participates in β ladder)trans-95.2116.4179.5-62.7149.5000107.9L229 G244 K248 V249 L265 I283L229-I269 WeakPolarHBondContact CD1-O 3.45Å; G244-I269 PolarHBondContact O-N 3.08Å; K248-I269 VanDerWaalsContact C-CD1 3.43Å; V249-I269 HydrophobicContact CG2-CD1 3.58Å; V249-I269 HydrophobicContact CG2-CG1 4.4Å; V249-I269 HydrophobicContact CG2-CG2 4.25Å; L265-I269 HydrophobicContact CD1-CG1 4.38Å; I269-I283 HydrophobicContact CB-CG2 4.34Å; I269-I283 HydrophobicContact CD1-CG2 4.41Å; I269-I283 HydrophobicContact CG1-CG2 3.85Å; I269-I283 HydrophobicContact CG2-CG2 3.58Å
270W94.3Very high90.3Very high54 Ų5445.3 Ų45.321%0.20522%0.224CC..EExtended strand (participates in β ladder)trans-89-36.1179.8-82.3109.5000112.9Q20 I21 W184 L229 C230 G284 N286Q20-W270 VanDerWaalsContact CD-NE1 3.29Å; Q20-W270 HydrophobicContact CG-CG 4.38Å; I21-W270 WeakPolarHBondContact O-CB 3.3Å; W184-W270 HydrophobicContact CH2-CZ3 4.42Å; W184-W270 AromaticContact CZ2-CZ3 3.7Å; W184-W270 HydrophobicContact CZ2-CZ3 3.7Å; L229-W270 HydrophobicContact CD1-CD2 4.4Å; L229-W270 HydrophobicContact CD1-CE3 4.15Å; L229-W270 HydrophobicContact CD1-CZ3 4.29Å; L229-W270 HydrophobicContact CD2-CZ3 4.49Å; C230-W270 WeakPolarHBondContact CB-O 3.5Å; W270-G284 PolarHBondContact N-O 3.21Å; W270-N286 PolarHBondContact NE1-OD1 3.12Å
271D94.9Very high90.7Very high6 Ų644 Ų443%0.03222%0.215CC..EExtended strand (participates in β ladder)trans-145.3147.6177.1-160.45.4000111.4C23 M24 G284C23-D271 WeakPolarHBondContact CA-OD2 3.43Å; C23-D271 PolarHBondContact SG-OD2 2.91Å; M24-D271 HydrophobicContact CE-CB 4.2Å; M24-D271 VanDerWaalsContact CE-O 3.31Å; M24-D271 WeakPolarHBondContact CE-O 3.46Å; M24-D271 PolarHBondContact N-OD2 3.19Å; D271-G284 PolarHBondContact N-O 3.04Å; D271-G284 PolarHBondContact O-N 3.46Å
272C94.6Very high90.9Very high0 Ų041.4 Ų41.40%020%0.198CC..EExtended strand (participates in β ladder)trans-139.5128.7172.2660000109.4C230 D232 I241 V249 A282C230-C272 PolarHBondContact SG-N 3.13Å; C230-C272 PolarHBondContact SG-SG 2.93Å; D232-C272 WeakPolarHBondContact CB-O 3.29Å; I241-C272 HydrophobicContact CD1-CB 4.09Å; V249-C272 HydrophobicContact CG2-CB 4.44Å; C272-A282 CarbonylContact C-O 3.34Å; C272-A282 VanDerWaalsContact CA-O 3.25Å; C272-A282 WeakPolarHBondContact CA-O 3.22Å
273K94.9Very high91.2Very high40 Ų4041 Ų4117%0.17420%0.196CC..EExtended strand (participates in β ladder)trans-127.1134.7-179.8-67.8-61.6179-168.10111.9M24 Y26 D232 I281 A282M24-K273 HydrophobicContact CB-CG 4.42Å; M24-K273 WeakPolarHBondContact O-CE 3.41Å; M24-K273 VanDerWaalsContact O-CG 3.31Å; M24-K273 WeakPolarHBondContact O-CG 3.43Å; Y26-K273 HydrophobicContact CD2-CB 4.01Å; Y26-K273 HydrophobicContact CE2-CB 4.05Å; Y26-K273 WeakPolarHBondContact CE2-O 3.37Å; D232-K273 HydrophobicContact CB-CD 4.29Å; D232-K273 WeakPolarHBondContact OD2-CA 3.45Å; K273-I281 CarbonylContact O-C 3.49Å; K273-I281 WeakPolarHBondContact O-CA 3.09Å; K273-A282 PolarHBondContact N-O 2.69Å; K273-A282 PolarHBondContact O-N 3.17Å
274A93.2Very high91.5Very high12 Ų1240.9 Ų40.910%0.09920%0.195CC..EExtended strand (participates in β ladder)trans-79.2134.616900000109.8Y26 D232 F234Y26-A274 VanDerWaalsContact CD2-O 3.31Å; Y26-A274 WeakPolarHBondContact CD2-O 3.25Å; D232-A274 PolarHBondContact OD2-N 3.44Å; F234-A274 HydrophobicContact CB-CB 4.06Å; F234-A274 HydrophobicContact CD2-CB 3.67Å; F234-A274 HydrophobicContact CG-CB 4.36Å
275K92Very high91.6Very high27 Ų2734.8 Ų34.812%0.11717%0.166CC..  trans-64.5140.9166.1-174.4177.1171.3-168.40108.7Y26 G30 E46 D277 G278 R280Y26-K275 HydrophobicContact CD1-CB 4.47Å; Y26-K275 HydrophobicContact CD1-CG 4.28Å; Y26-K275 HydrophobicContact CD2-CB 4.4Å; Y26-K275 HydrophobicContact CE1-CB 4.09Å; Y26-K275 HydrophobicContact CE1-CG 4.15Å; Y26-K275 HydrophobicContact CE2-CB 4.03Å; G30-K275 WeakPolarHBondContact O-CE 3.13Å; E46-K275 HydrophobicContact CG-CD 4.06Å; E46-K275 WeakPolarHBondContact OE2-CE 3.12Å; E46-K275 IonicContact OE2-NZ 2.63Å; E46-K275 PolarHBondContact OE2-NZ 3.24Å; K275-D277 WeakPolarHBondContact CB-OD1 3.42Å; K275-D277 VanDerWaalsContact CD-CG 3.43Å; K275-D277 VanDerWaalsContact CD-OD1 3.28Å; K275-D277 WeakPolarHBondContact CD-OD1 3.47Å; K275-D277 VanDerWaalsContact CD-OD2 3.22Å; K275-D277 WeakPolarHBondContact CD-OD2 3.35Å; K275-D277 WeakPolarHBondContact CE-OD2 3.32Å; K275-D277 VanDerWaalsContact CG-OD1 3.24Å; K275-D277 WeakPolarHBondContact CG-OD1 3.45Å; K275-D277 IonicContact NZ-OD2 3.41Å; K275-D277 PolarHBondContact NZ-OD2 2.63Å; K275-D277 PolarHBondContact O-N 3.41Å; K275-G278 PolarHBondContact O-N 2.88Å; K275-R280 HydrophobicContact CB-CB 4.05Å; K275-R280 WeakPolarHBondContact CB-O 3.34Å; K275-R280 HydrophobicContact CD-CB 4.21Å; K275-R280 PolarHBondContact N-O 3.21Å
276P85.6Confident91.6Very high72 Ų7236.7 Ų36.747%0.46818%0.177SC..THydrogen-bonded Turntrans-54.3-28.3-179.1-3036.2000115G278P276-G278 PolarHBondContact O-N 3.19Å
277D81.5Confident91.7Very high70 Ų7030.3 Ų30.337%0.37415%0.149SC..THydrogen-bonded Turntrans-69.8-14.517668.82.4000114.2K275 H279K275-D277 WeakPolarHBondContact CB-OD1 3.42Å; K275-D277 VanDerWaalsContact CD-CG 3.43Å; K275-D277 VanDerWaalsContact CD-OD1 3.28Å; K275-D277 WeakPolarHBondContact CD-OD1 3.47Å; K275-D277 VanDerWaalsContact CD-OD2 3.22Å; K275-D277 WeakPolarHBondContact CD-OD2 3.35Å; K275-D277 WeakPolarHBondContact CE-OD2 3.32Å; K275-D277 VanDerWaalsContact CG-OD1 3.24Å; K275-D277 WeakPolarHBondContact CG-OD1 3.45Å; K275-D277 IonicContact NZ-OD2 3.41Å; K275-D277 PolarHBondContact NZ-OD2 2.63Å; K275-D277 PolarHBondContact O-N 3.41Å; D277-H279 PolarHBondContact OD1-N 2.82Å
278G78Confident91.6Very high2 Ų229.6 Ų29.62%0.02114%0.143CC..SBendtrans69.629.9-177.700000113.9F234 K275 P276F234-G278 WeakPolarHBondContact CE2-O 3.25Å; F234-G278 WeakPolarHBondContact CZ-O 3.34Å; K275-G278 PolarHBondContact O-N 2.88Å; P276-G278 PolarHBondContact O-N 3.19Å
279H84.6Confident91.7Very high84 Ų8426.2 Ų26.239%0.38913%0.133SC..SBendtrans-123.4-11.6177.2-68.3-35.7000114.7D277 I295D277-H279 PolarHBondContact OD1-N 2.82Å; H279-I295 PolarHBondContact O-N 3.35Å
280R91.6Very high91.6Very high37 Ų3726.2 Ų26.214%0.1413%0.133CC..EExtended strand (participates in β ladder)trans-133.4149.7177.7-67.9178.8175.7-163.31.1111.9E46 D47 K275 V292 Y293 Q294E46-R280 VanDerWaalsContact CD-NH1 3.26Å; E46-R280 PolarHBondContact O-NH1 3.45Å; E46-R280 WeakPolarHBondContact OE1-CD 3.4Å; E46-R280 IonicContact OE1-CZ 2.91Å; E46-R280 IonicContact OE1-NE 3.28Å; E46-R280 IonicContact OE1-NH1 3.24Å; E46-R280 PolarHBondContact OE1-NH1 2.85Å; E46-R280 IonicContact OE2-CZ 3.44Å; E46-R280 IonicContact OE2-NH1 2.88Å; E46-R280 PolarHBondContact OE2-NH1 3.45Å; D47-R280 PolarHBondContact O-NH1 3.23Å; D47-R280 VanDerWaalsContact O-NH1 3.16Å; K275-R280 HydrophobicContact CB-CB 4.05Å; K275-R280 WeakPolarHBondContact CB-O 3.34Å; K275-R280 HydrophobicContact CD-CB 4.21Å; K275-R280 PolarHBondContact N-O 3.21Å; R280-V292 HydrophobicContact CB-CG1 3.96Å; R280-V292 HydrophobicContact CG-CG1 4.36Å; R280-Y293 CarbonylContact C-O 3.33Å; R280-Y293 WeakPolarHBondContact CA-O 3.26Å; R280-Q294 HydrophobicContact CG-CB 4.41Å
281I94.1Very high91.7Very high0 Ų023.8 Ų23.80%012%0.124CC..EExtended strand (participates in β ladder)trans-128.6122176.2-65.2167.2000108F234 I241 V262 K273 I283 V292 Y293 I295F234-I281 HydrophobicContact CE2-CG1 4.46Å; I241-I281 HydrophobicContact CD1-CD1 4.31Å; I241-I281 HydrophobicContact CD1-CG1 4.23Å; I241-I281 HydrophobicContact CD1-CG2 3.64Å; I241-I281 HydrophobicContact CG2-CD1 3.84Å; V262-I281 HydrophobicContact CG1-CD1 3.79Å; V262-I281 HydrophobicContact CG2-CD1 4.2Å; K273-I281 CarbonylContact O-C 3.49Å; K273-I281 WeakPolarHBondContact O-CA 3.09Å; I281-I283 HydrophobicContact CG2-CG1 4.02Å; I281-V292 CarbonylContact O-C 3.59Å; I281-V292 WeakPolarHBondContact O-CA 3.44Å; I281-Y293 PolarHBondContact N-O 2.83Å; I281-Y293 PolarHBondContact O-N 3.42Å; I281-I295 HydrophobicContact CD1-CD1 3.25Å; I281-I295 HydrophobicContact CD1-CG1 4.14Å; I281-I295 HydrophobicContact CG1-CD1 3.86Å
282A95.4Very high91.7Very high0 Ų023.5 Ų23.50%012%0.123CC..EExtended strand (participates in β ladder)trans-86.7139.516900000110.2M24 Y26 L33 C272 K273 V291 V292M24-A282 HydrophobicContact CE-CB 4.08Å; M24-A282 HydrophobicContact SD-CB 4.33Å; Y26-A282 HydrophobicContact CE2-CB 3.95Å; Y26-A282 WeakPolarHBondContact OH-CB 3.34Å; Y26-A282 PolarHBondContact OH-N 3.36Å; L33-A282 HydrophobicContact CD1-CB 3.91Å; L33-A282 HydrophobicContact CD2-CB 3.7Å; L33-A282 HydrophobicContact CG-CB 4.49Å; C272-A282 CarbonylContact C-O 3.34Å; C272-A282 VanDerWaalsContact CA-O 3.25Å; C272-A282 WeakPolarHBondContact CA-O 3.22Å; K273-A282 PolarHBondContact N-O 2.69Å; K273-A282 PolarHBondContact O-N 3.17Å; A282-V291 CarbonylContact C-O 3.53Å; A282-V292 HydrophobicContact CB-CG2 4.04Å
283I96.1Very high91.6Very high0 Ų024.5 Ų24.50%013%0.127CC..EExtended strand (participates in β ladder)trans-131.4128.7179.7-52.1173.8000108.2M24 V249 A263 L265 I269 I281 V290 V291 Y293M24-I283 VanDerWaalsContact CE-C 3.48Å; V249-I283 HydrophobicContact CB-CD1 4.13Å; V249-I283 HydrophobicContact CG2-CD1 3.54Å; V249-I283 HydrophobicContact CG2-CG1 3.93Å; V249-I283 HydrophobicContact CG2-CG2 3.93Å; A263-I283 HydrophobicContact CB-CD1 3.34Å; L265-I283 HydrophobicContact CD1-CB 4.27Å; L265-I283 HydrophobicContact CD1-CD1 4.38Å; L265-I283 HydrophobicContact CD1-CG2 3.64Å; I269-I283 HydrophobicContact CB-CG2 4.34Å; I269-I283 HydrophobicContact CD1-CG2 4.41Å; I269-I283 HydrophobicContact CG1-CG2 3.85Å; I269-I283 HydrophobicContact CG2-CG2 3.58Å; I281-I283 HydrophobicContact CG2-CG1 4.02Å; I283-V290 WeakPolarHBondContact O-CA 3.49Å; I283-V291 PolarHBondContact N-O 2.86Å; I283-V291 PolarHBondContact O-N 3.07Å; I283-Y293 HydrophobicContact CD1-CD2 3.6Å; I283-Y293 HydrophobicContact CD1-CE2 3.81Å; I283-Y293 HydrophobicContact CG1-CD2 4.47Å
284G95.3Very high91.4Very high0 Ų024.9 Ų24.90%013%0.129CC..EExtended strand (participates in β ladder)trans-115.5124.9-179.500000110.6W270 D271W270-G284 PolarHBondContact N-O 3.21Å; D271-G284 PolarHBondContact N-O 3.04Å; D271-G284 PolarHBondContact O-N 3.46Å
285C94.6Very high91.1Very high0 Ų024.4 Ų24.40%013%0.125CC..EExtended strand (participates in β ladder)trans-108.6165.4-172.3-60.40000113.3I21 L265 W268 D287 G288 L289I21-C285 PolarHBondContact N-O 3.36Å; L265-C285 WeakPolarHBondContact CD1-SG 3.33Å; W268-C285 CarbonylContact O-C 3.56Å; W268-C285 VanDerWaalsContact O-CA 3.27Å; W268-C285 WeakPolarHBondContact O-CA 3.33Å; C285-D287 VanDerWaalsContact C-N 3.29Å; C285-D287 WeakPolarHBondContact CB-OD1 3.37Å; C285-D287 PolarHBondContact O-N 2.78Å; C285-G288 PolarHBondContact O-N 3.43Å; C285-L289 HydrophobicContact CB-CB 4.14Å; C285-L289 WeakPolarHBondContact CB-O 3.45Å; C285-L289 PolarHBondContact N-O 3.47Å
286N92.8Very high90.7Very high62 Ų6230.7 Ų30.733%0.33215%0.148SC..THydrogen-bonded Turntrans-68.8-25.5179.4-172.971.3000114.2Q20 S267 W268 W270 G288Q20-N286 PolarHBondContact OE1-OD1 3.22Å; S267-N286 WeakPolarHBondContact OG-CB 3.27Å; W268-N286 HydrophobicContact CB-CB 4.18Å; W268-N286 PolarHBondContact O-N 3.01Å; W270-N286 PolarHBondContact NE1-OD1 3.12Å; N286-G288 PolarHBondContact O-N 3.34Å
287D90.9Very high90.2Very high46 Ų4628.8 Ų28.825%0.24613%0.132CC..THydrogen-bonded Turntrans-83.14176.957.11.7000113.2S18 S267 C285 L289S18-D287 WeakPolarHBondContact CB-O 3.43Å; S267-D287 VanDerWaalsContact CB-OD2 3.25Å; S267-D287 WeakPolarHBondContact CB-OD2 3.43Å; S267-D287 PolarHBondContact OG-N 3.14Å; C285-D287 VanDerWaalsContact C-N 3.29Å; C285-D287 WeakPolarHBondContact CB-OD1 3.37Å; C285-D287 PolarHBondContact O-N 2.78Å; D287-L289 VanDerWaalsContact C-N 3.33Å; D287-L289 WeakPolarHBondContact OD1-CB 3.48Å; D287-L289 PolarHBondContact OD1-N 3.45Å
288G91.4Very high90.2Very high0 Ų028 Ų280%013%0.133CC..SBendtrans83.17.9-177.200000114.5E10 I11 C19 I21 C285 N286 V290E10-G288 WeakPolarHBondContact CA-O 3.34Å; I11-G288 PolarHBondContact N-O 2.98Å; C19-G288 WeakPolarHBondContact O-CA 3.26Å; C19-G288 PolarHBondContact O-N 2.94Å; I21-G288 VanDerWaalsContact CD1-C 3.45Å; C285-G288 PolarHBondContact O-N 3.43Å; N286-G288 PolarHBondContact O-N 3.34Å; G288-V290 PolarHBondContact O-N 2.7Å
289L94.3Very high90.4Very high38 Ų3830.8 Ų30.820%0.19915%0.149CC..EExtended strand (participates in β ladder)trans-77.5118.7173.9-174.269.7000111.7I21 L265 C285 D287 V291I21-L289 WeakPolarHBondContact CD1-O 3.05Å; L265-L289 HydrophobicContact CD2-CD2 4.45Å; C285-L289 HydrophobicContact CB-CB 4.14Å; C285-L289 WeakPolarHBondContact CB-O 3.45Å; C285-L289 PolarHBondContact N-O 3.47Å; D287-L289 VanDerWaalsContact C-N 3.33Å; D287-L289 WeakPolarHBondContact OD1-CB 3.48Å; D287-L289 PolarHBondContact OD1-N 3.45Å; L289-V291 HydrophobicContact CD1-CG2 4.07Å; L289-V291 HydrophobicContact CD2-CG2 3.47Å; L289-V291 VanDerWaalsContact CD2-CG2 3.47Å; L289-V291 HydrophobicContact CG-CG2 3.48Å; L289-V291 VanDerWaalsContact CG-CG2 3.48Å
290V94.5Very high90.7Very high0 Ų027.1 Ų27.10%013%0.132CC..EExtended strand (participates in β ladder)trans-97.1120.1164.4-173.50000108.1W7 S8 K9 I11 I21 M24 L33 V35 I283 G288W7-V290 HydrophobicContact CH2-CG1 3.91Å; W7-V290 HydrophobicContact CZ3-CB 4.29Å; W7-V290 HydrophobicContact CZ3-CG1 3.81Å; S8-V290 CarbonylContact C-O 3.59Å; S8-V290 VanDerWaalsContact CA-O 3.26Å; S8-V290 WeakPolarHBondContact CA-O 3.32Å; K9-V290 PolarHBondContact N-O 3.13Å; K9-V290 PolarHBondContact O-N 3.26Å; I11-V290 HydrophobicContact CD1-CG2 3.87Å; I11-V290 HydrophobicContact CG1-CG2 4.43Å; I21-V290 HydrophobicContact CD1-CB 4.29Å; I21-V290 HydrophobicContact CD1-CG2 3.39Å; I21-V290 HydrophobicContact CG1-CG2 4.16Å; M24-V290 HydrophobicContact SD-CG1 4.18Å; L33-V290 HydrophobicContact CD2-CG1 4.22Å; V35-V290 HydrophobicContact CG1-CG2 3.78Å; V35-V290 HydrophobicContact CG2-CG1 4.29Å; V35-V290 HydrophobicContact CG2-CG2 4.17Å; I283-V290 WeakPolarHBondContact O-CA 3.49Å; G288-V290 PolarHBondContact O-N 2.7Å
291V95.2Very high90.7Very high3 Ų328.5 Ų28.52%0.01814%0.14CC..EExtended strand (participates in β ladder)trans-123.1129.3174.2-1680000110I5 L265 A282 I283 L289 Y293I5-V291 HydrophobicContact CB-CG1 4.49Å; I5-V291 HydrophobicContact CD1-CG1 4.46Å; I5-V291 HydrophobicContact CG1-CG1 4.07Å; I5-V291 HydrophobicContact CG2-CG1 3.81Å; L265-V291 HydrophobicContact CD2-CG2 4.19Å; A282-V291 CarbonylContact C-O 3.53Å; I283-V291 PolarHBondContact N-O 2.86Å; I283-V291 PolarHBondContact O-N 3.07Å; L289-V291 HydrophobicContact CD1-CG2 4.07Å; L289-V291 HydrophobicContact CD2-CG2 3.47Å; L289-V291 VanDerWaalsContact CD2-CG2 3.47Å; L289-V291 HydrophobicContact CG-CG2 3.48Å; L289-V291 VanDerWaalsContact CG-CG2 3.48Å; V291-Y293 HydrophobicContact CB-CD2 4.33Å; V291-Y293 HydrophobicContact CB-CE2 3.99Å; V291-Y293 HydrophobicContact CG1-CD2 3.72Å; V291-Y293 HydrophobicContact CG1-CE2 3.37Å
292V94.9Very high90.6Very high0 Ų029.1 Ų29.10%015%0.146CC..EExtended strand (participates in β ladder)trans-103.7120.2170179.70000109.2A6 W7 L33 R280 I281 A282A6-V292 HydrophobicContact CB-CB 4.47Å; A6-V292 HydrophobicContact CB-CG1 4.21Å; A6-V292 WeakPolarHBondContact CB-O 3.46Å; A6-V292 PolarHBondContact N-O 3.17Å; W7-V292 HydrophobicContact CD2-CB 4.08Å; W7-V292 HydrophobicContact CD2-CG2 3.95Å; W7-V292 HydrophobicContact CE3-CG2 4.28Å; W7-V292 HydrophobicContact CG-CB 4.42Å; W7-V292 HydrophobicContact CH2-CG2 3.64Å; W7-V292 HydrophobicContact CZ2-CB 4.15Å; W7-V292 HydrophobicContact CZ2-CG2 3.23Å; W7-V292 HydrophobicContact CZ3-CG2 4.14Å; W7-V292 PolarHBondContact N-O 3.01Å; W7-V292 PolarHBondContact O-N 3.15Å; L33-V292 HydrophobicContact CD2-CG2 4.02Å; R280-V292 HydrophobicContact CB-CG1 3.96Å; R280-V292 HydrophobicContact CG-CG1 4.36Å; I281-V292 CarbonylContact O-C 3.59Å; I281-V292 WeakPolarHBondContact O-CA 3.44Å; A282-V292 HydrophobicContact CB-CG2 4.04Å
293Y92.9Very high90.3Very high21 Ų2131.1 Ų31.18%0.08216%0.156CC..EExtended strand (participates in β ladder)trans-97.1128.1174.2-80.6-96.3000110.5C3 V4 I5 A263 L265 R280 I281 I283 V291C3-Y293 HydrophobicContact CB-CD1 4.03Å; V4-Y293 CarbonylContact O-C 3.57Å; V4-Y293 WeakPolarHBondContact O-CA 3.22Å; I5-Y293 HydrophobicContact CD1-CE1 4.46Å; I5-Y293 HydrophobicContact CG1-CD1 4.13Å; I5-Y293 HydrophobicContact CG1-CE1 3.57Å; I5-Y293 HydrophobicContact CG1-CE2 4.29Å; A263-Y293 HydrophobicContact CB-CD1 4.42Å; A263-Y293 HydrophobicContact CB-CD2 3.82Å; A263-Y293 HydrophobicContact CB-CE1 4Å; A263-Y293 HydrophobicContact CB-CE2 3.34Å; A263-Y293 HydrophobicContact CB-CG 4.32Å; A263-Y293 VanDerWaalsContact CB-CZ 3.44Å; L265-Y293 HydrophobicContact CD2-CE2 4.45Å; R280-Y293 CarbonylContact C-O 3.33Å; R280-Y293 WeakPolarHBondContact CA-O 3.26Å; I281-Y293 PolarHBondContact N-O 2.83Å; I281-Y293 PolarHBondContact O-N 3.42Å; I283-Y293 HydrophobicContact CD1-CD2 3.6Å; I283-Y293 HydrophobicContact CD1-CE2 3.81Å; I283-Y293 HydrophobicContact CG1-CD2 4.47Å; V291-Y293 HydrophobicContact CB-CD2 4.33Å; V291-Y293 HydrophobicContact CB-CE2 3.99Å; V291-Y293 HydrophobicContact CG1-CD2 3.72Å; V291-Y293 HydrophobicContact CG1-CE2 3.37Å
294Q90.5Very high90Very high48 Ų4833.7 Ų33.722%0.22417%0.166CC..EExtended strand (participates in β ladder)trans-83.7121.5165.1-175.994.442.600109.7C3 V4 A6 R280 R296C3-Q294 WeakPolarHBondContact CA-O 3.4Å; V4-Q294 PolarHBondContact N-O 2.91Å; V4-Q294 PolarHBondContact O-N 3.03Å; A6-Q294 HydrophobicContact CB-CB 4.32Å; R280-Q294 HydrophobicContact CG-CB 4.41Å; Q294-R296 HydrophobicContact CG-CG 4.31Å
295I86.9Confident89.6Confident3 Ų336.8 Ų36.82%0.01518%0.183CC..EExtended strand (participates in β ladder)trans-87121.9171.1-61169.4000109.3M1 F234 H279 I281 F297M1-I295 HydrophobicContact CE-CB 4.22Å; M1-I295 HydrophobicContact CE-CD1 3.74Å; M1-I295 HydrophobicContact CE-CG1 3.82Å; M1-I295 HydrophobicContact CE-CG2 3.35Å; M1-I295 HydrophobicContact CG-CG2 3.8Å; M1-I295 HydrophobicContact SD-CG2 4.04Å; F234-I295 HydrophobicContact CE1-CD1 4.36Å; F234-I295 HydrophobicContact CE2-CD1 3.83Å; F234-I295 HydrophobicContact CZ-CD1 3.58Å; H279-I295 PolarHBondContact O-N 3.35Å; I281-I295 HydrophobicContact CD1-CD1 3.25Å; I281-I295 HydrophobicContact CD1-CG1 4.14Å; I281-I295 HydrophobicContact CG1-CD1 3.86Å; I295-F297 HydrophobicContact CB-CE2 4.45Å; I295-F297 HydrophobicContact CG2-CD1 4.31Å; I295-F297 HydrophobicContact CG2-CD2 4.14Å; I295-F297 HydrophobicContact CG2-CE1 3.81Å; I295-F297 HydrophobicContact CG2-CE2 3.61Å; I295-F297 HydrophobicContact CG2-CG 4.47Å; I295-F297 HydrophobicContact CG2-CZ 3.44Å; I295-F297 VanDerWaalsContact CG2-CZ 3.44Å
296R82.8Confident89.2Confident158 Ų15838.6 Ų38.660%0.59619%0.192SC*.EExtended strand (participates in β ladder)trans-108.1117.4168.9-63.8-174.7-174.3166.83.1110.5M1 N2 Q294 S298M1-R296 WeakPolarHBondContact CA-O 3.33Å; N2-R296 PolarHBondContact N-O 3.04Å; N2-R296 PolarHBondContact O-N 3.17Å; Q294-R296 HydrophobicContact CG-CG 4.31Å; R296-S298 PolarHBondContact O-N 3.48Å
297F77.1Confident89.1Confident33 Ų3336.3 Ų36.315%0.14518%0.18CC..  trans-84.7110.8171.7-61-75.6000109.6M1 F234 M235 I295 T299 V314M1-F297 HydrophobicContact CE-CE1 4.43Å; M1-F297 HydrophobicContact CG-CD1 4.27Å; M1-F297 HydrophobicContact CG-CE1 4.19Å; M1-F297 HydrophobicContact SD-CD1 4.35Å; M1-F297 HydrophobicContact SD-CE1 3.75Å; F234-F297 AromaticContact CE1-CZ 4Å; F234-F297 HydrophobicContact CE1-CZ 4Å; F234-F297 HydrophobicContact CZ-CE2 4.4Å; F234-F297 HydrophobicContact CZ-CZ 4.18Å; M235-F297 HydrophobicContact CE-CD2 4.01Å; M235-F297 HydrophobicContact CE-CE2 3.27Å; M235-F297 HydrophobicContact CE-CZ 3.61Å; I295-F297 HydrophobicContact CB-CE2 4.45Å; I295-F297 HydrophobicContact CG2-CD1 4.31Å; I295-F297 HydrophobicContact CG2-CD2 4.14Å; I295-F297 HydrophobicContact CG2-CE1 3.81Å; I295-F297 HydrophobicContact CG2-CE2 3.61Å; I295-F297 HydrophobicContact CG2-CG 4.47Å; I295-F297 HydrophobicContact CG2-CZ 3.44Å; I295-F297 VanDerWaalsContact CG2-CZ 3.44Å; F297-T299 PolarHBondContact O-N 3.11Å; F297-V314 HydrophobicContact CD1-CG2 3.75Å; F297-V314 HydrophobicContact CE1-CG2 3.51Å; F297-V314 HydrophobicContact CZ-CG2 4.46Å
298S80.8Confident89.2Confident54 Ų5434.4 Ų34.438%0.37817%0.169SC..  trans-59.6133.4169.954.20000110.3R296 V300 R311R296-S298 PolarHBondContact O-N 3.48Å; S298-V300 PolarHBondContact O-N 3.43Å; S298-R311 PolarHBondContact O-NH2 3.48Å
299T82.8Confident89.4Confident60 Ų6034.4 Ų34.437%0.36817%0.169SC..  trans-63.6117.6170.5-45.80000108.5F297 Y568F297-T299 PolarHBondContact O-N 3.11Å; T299-Y568 HydrophobicContact CG2-CD1 4.5Å
300V89Confident89.3Confident6 Ų634.7 Ų34.74%0.03617%0.168CC..  trans-112.3108176.8173.20000106.5S298 Y310 R311 V336 K337 V339S298-V300 PolarHBondContact O-N 3.43Å; V300-Y310 WeakPolarHBondContact O-CA 3.48Å; V300-R311 HydrophobicContact CB-CB 3.79Å; V300-R311 HydrophobicContact CG1-CB 4.08Å; V300-R311 PolarHBondContact O-N 3.41Å; V300-V336 HydrophobicContact CG1-CG1 4.43Å; V300-K337 WeakPolarHBondContact CG2-O 3.46Å; V300-V339 HydrophobicContact CG1-CB 4.42Å; V300-V339 HydrophobicContact CG1-CG1 4.14Å; V300-V339 HydrophobicContact CG1-CG2 3.88Å
301H92.3Very high89.2Confident67 Ų6736 Ų3631%0.3117%0.173SC..EExtended strand (participates in β ladder)trans-145.9162.9179.667.2-87000110.7Y308 V309H301-Y308 HydrophobicContact CB-CE2 3.67Å; H301-V309 CarbonylContact C-O 3.52Å; H301-V309 WeakPolarHBondContact CA-O 3.33Å; H301-V309 WeakPolarHBondContact CB-O 3.37Å
302A91.5Very high88.8Confident13 Ų1341 Ų4111%0.10719%0.192CC..EExtended strand (participates in β ladder)trans-144.9142.4170.300000108.4V309 V339 V341A302-V309 PolarHBondContact N-O 3.06Å; A302-V309 PolarHBondContact O-N 3.34Å; A302-V339 HydrophobicContact CB-CG2 4.04Å; A302-V341 HydrophobicContact CB-CG1 3.91Å
303L90.1Very high88Confident42 Ų4244 Ų4422%0.2221%0.208CC..EExtended strand (participates in β ladder)trans-121.5126.8175.9-176.676.2000107.8L307 Y308 L322 V555L303-L307 WeakPolarHBondContact CA-O 3.38Å; L303-Y308 HydrophobicContact CD1-CD2 4.24Å; L303-L322 HydrophobicContact CD1-CD1 3.79Å; L303-V555 HydrophobicContact CB-CG1 4.23Å; L303-V555 HydrophobicContact CD2-CB 4.05Å; L303-V555 HydrophobicContact CD2-CG1 3.61Å; L303-V555 WeakPolarHBondContact CD2-O 3.44Å
304Y89.9Confident87.6Confident53 Ų5343.3 Ų43.321%0.20821%0.205CC..EExtended strand (participates in β ladder)trans-130.2120.4164.7176.7-94000108.1D306 L307 V341 Y342 K343Y304-D306 PolarHBondContact O-N 3.13Å; Y304-L307 PolarHBondContact N-O 3.18Å; Y304-L307 WeakPolarHBondContact O-CA 3.25Å; Y304-L307 VanDerWaalsContact O-CB 3.3Å; Y304-L307 WeakPolarHBondContact O-CB 3.5Å; Y304-L307 PolarHBondContact O-N 2.93Å; Y304-V341 WeakPolarHBondContact CB-O 3.3Å; Y304-Y342 AromaticContact CD2-CD2 3.61Å; Y304-Y342 HydrophobicContact CD2-CD2 3.61Å; Y304-Y342 HydrophobicContact CD2-CE2 4.19Å; Y304-Y342 HydrophobicContact CD2-CG 4.43Å; Y304-Y342 AromaticContact CE2-CD2 3.37Å; Y304-Y342 HydrophobicContact CE2-CD2 3.37Å; Y304-Y342 AromaticContact CE2-CE2 3.52Å; Y304-Y342 HydrophobicContact CE2-CE2 3.52Å; Y304-Y342 HydrophobicContact CE2-CG 4.29Å; Y304-K343 VanDerWaalsContact CD1-N 3.33Å; Y304-K343 VanDerWaalsContact CE1-CA 3.49Å; Y304-K343 HydrophobicContact CE1-CB 4.44Å; Y304-K343 HydrophobicContact CE1-CG 4.17Å; Y304-K343 WeakPolarHBondContact OH-CG 3.48Å
305N87.4Confident87.3Confident65 Ų6541.6 Ų41.635%0.34820%0.199SC..THydrogen-bonded Turntrans51.6-121.3-170.7-67.9-8.9000112.3R522N305-R522 VanDerWaalsContact C-CZ 3.48Å; N305-R522 VanDerWaalsContact C-NH2 3.29Å; N305-R522 VanDerWaalsContact CA-NH2 3.28Å; N305-R522 VanDerWaalsContact O-CZ 3.27Å; N305-R522 PolarHBondContact O-NH1 3.18Å; N305-R522 PolarHBondContact O-NH2 2.99Å
306D86.1Confident87.4Confident38 Ų3843 Ų4320%0.20321%0.205CC..THydrogen-bonded Turntrans-96.12.5176.548.8-11.4000112.6Y304 H321 L322 I323 F563Y304-D306 PolarHBondContact O-N 3.13Å; D306-H321 IonicContact OD2-CE1 2.76Å; D306-H321 PolarHBondContact OD2-CE1 3.15Å; D306-H321 IonicContact OD2-ND1 2.87Å; D306-H321 IonicContact OD2-NE2 3.43Å; D306-H321 PolarHBondContact OD2-NE2 3.31Å; D306-L322 WeakPolarHBondContact O-CB 3.4Å; D306-L322 WeakPolarHBondContact O-CG 3.46Å; D306-L322 PolarHBondContact O-N 2.8Å; D306-I323 HydrophobicContact CB-CD1 3.97Å; D306-I323 HydrophobicContact CB-CG1 3.97Å; D306-I323 WeakPolarHBondContact OD2-CD1 3.35Å; D306-F563 HydrophobicContact CB-CE2 4.45Å; D306-F563 HydrophobicContact CB-CZ 4.29Å
307L90.7Very high88Confident15 Ų1535.5 Ų35.58%0.07918%0.177CC..EExtended strand (participates in β ladder)trans-89.7110.4174.4-58.2174000109.9L303 Y304 H321 M382L303-L307 WeakPolarHBondContact CA-O 3.38Å; Y304-L307 PolarHBondContact N-O 3.18Å; Y304-L307 WeakPolarHBondContact O-CA 3.25Å; Y304-L307 VanDerWaalsContact O-CB 3.3Å; Y304-L307 WeakPolarHBondContact O-CB 3.5Å; Y304-L307 PolarHBondContact O-N 2.93Å; L307-H321 HydrophobicContact CD2-CB 4.4Å; L307-M382 HydrophobicContact CD2-CE 3.41Å; L307-M382 VanDerWaalsContact CD2-CE 3.41Å
308Y93.2Very high88.7Confident5 Ų534 Ų342%0.0217%0.17CC..EExtended strand (participates in β ladder)trans-101.1120.2174.2-179.2-118000110.2H301 L303 Y310 Q320 L322 L565 M570H301-Y308 HydrophobicContact CB-CE2 3.67Å; L303-Y308 HydrophobicContact CD1-CD2 4.24Å; Y308-Y310 AromaticContact CD1-CD1 3.48Å; Y308-Y310 HydrophobicContact CD1-CD1 3.48Å; Y308-Y310 VanDerWaalsContact CD1-CD1 3.48Å; Y308-Y310 HydrophobicContact CD1-CE1 4.08Å; Y308-Y310 HydrophobicContact CD1-CG 4.3Å; Y308-Y310 AromaticContact CE1-CD1 3.24Å; Y308-Y310 HydrophobicContact CE1-CD1 3.24Å; Y308-Y310 AromaticContact CE1-CE1 3.98Å; Y308-Y310 HydrophobicContact CE1-CE1 3.98Å; Y308-Y310 AromaticContact CE1-CG 3.63Å; Y308-Y310 HydrophobicContact CE1-CG 3.63Å; Y308-Q320 PolarHBondContact N-O 3.16Å; Y308-Q320 PolarHBondContact O-N 3.13Å; Y308-L322 HydrophobicContact CD1-CD2 4.48Å; Y308-L322 HydrophobicContact CG-CD2 4.31Å; Y308-L565 WeakPolarHBondContact OH-CD1 3.43Å; Y308-M570 HydrophobicContact CD1-CB 3.76Å; Y308-M570 HydrophobicContact CD1-CG 3.77Å; Y308-M570 HydrophobicContact CD2-CG 4.17Å; Y308-M570 HydrophobicContact CD2-SD 4.2Å; Y308-M570 HydrophobicContact CE1-CB 3.45Å; Y308-M570 VanDerWaalsContact CE1-CB 3.45Å; Y308-M570 HydrophobicContact CE1-CG 3.85Å; Y308-M570 HydrophobicContact CE2-CG 4.24Å; Y308-M570 HydrophobicContact CE2-SD 4Å; Y308-M570 HydrophobicContact CG-CB 4.42Å; Y308-M570 HydrophobicContact CG-CG 3.94Å
309V94.2Very high89.3Confident0 Ų031.4 Ų31.40%015%0.152CC..EExtended strand (participates in β ladder)trans-112.8128.1176.9-177.40000108.5H301 A302 V317 V318 V319 V339 V341 L346H301-V309 CarbonylContact C-O 3.52Å; H301-V309 WeakPolarHBondContact CA-O 3.33Å; H301-V309 WeakPolarHBondContact CB-O 3.37Å; A302-V309 PolarHBondContact N-O 3.06Å; A302-V309 PolarHBondContact O-N 3.34Å; V309-V317 HydrophobicContact CG1-CG1 3.36Å; V309-V318 CarbonylContact C-O 3.52Å; V309-V318 VanDerWaalsContact CA-O 3.31Å; V309-V318 WeakPolarHBondContact CA-O 3.4Å; V309-V319 HydrophobicContact CG1-CG2 4.42Å; V309-V319 HydrophobicContact CG2-CB 4.3Å; V309-V319 HydrophobicContact CG2-CG1 3.84Å; V309-V319 HydrophobicContact CG2-CG2 4.11Å; V309-V339 HydrophobicContact CG1-CB 4.13Å; V309-V339 HydrophobicContact CG1-CG2 4.02Å; V309-V341 HydrophobicContact CB-CG1 4.39Å; V309-V341 HydrophobicContact CG2-CB 3.81Å; V309-V341 HydrophobicContact CG2-CG1 3.81Å; V309-V341 HydrophobicContact CG2-CG2 4.17Å; V309-L346 HydrophobicContact CB-CD1 4.49Å; V309-L346 HydrophobicContact CG1-CD1 3.77Å; V309-L346 HydrophobicContact CG2-CD1 4.26Å
310Y93.3Very high89.7Confident44 Ų4429.3 Ų29.317%0.17314%0.138CC..EExtended strand (participates in β ladder)trans-142.6153.6178.568.4-80.1000112.2V300 Y308 R312 V318 Q320V300-Y310 WeakPolarHBondContact O-CA 3.48Å; Y308-Y310 AromaticContact CD1-CD1 3.48Å; Y308-Y310 HydrophobicContact CD1-CD1 3.48Å; Y308-Y310 VanDerWaalsContact CD1-CD1 3.48Å; Y308-Y310 HydrophobicContact CD1-CE1 4.08Å; Y308-Y310 HydrophobicContact CD1-CG 4.3Å; Y308-Y310 AromaticContact CE1-CD1 3.24Å; Y308-Y310 HydrophobicContact CE1-CD1 3.24Å; Y308-Y310 AromaticContact CE1-CE1 3.98Å; Y308-Y310 HydrophobicContact CE1-CE1 3.98Å; Y308-Y310 AromaticContact CE1-CG 3.63Å; Y308-Y310 HydrophobicContact CE1-CG 3.63Å; Y310-R312 HydrophobicContact CE2-CB 4.3Å; Y310-V318 HydrophobicContact CD1-CB 4.09Å; Y310-V318 HydrophobicContact CD1-CG1 4.5Å; Y310-V318 HydrophobicContact CE1-CB 3.6Å; Y310-V318 HydrophobicContact CE1-CG1 3.65Å; Y310-V318 HydrophobicContact CE2-CB 4.17Å; Y310-V318 HydrophobicContact CE2-CG2 4.27Å; Y310-V318 PolarHBondContact N-O 2.94Å; Y310-V318 PolarHBondContact O-N 3.37Å; Y310-Q320 HydrophobicContact CE1-CB 4.44Å
311R91.7Very high89.7Confident28 Ų2831.3 Ų31.311%0.10615%0.147CC..EExtended strand (participates in β ladder)trans-81.8125.9175.5-176.9-17970.2161.61.8110S298 V300 V314 Q316 V336S298-R311 PolarHBondContact O-NH2 3.48Å; V300-R311 HydrophobicContact CB-CB 3.79Å; V300-R311 HydrophobicContact CG1-CB 4.08Å; V300-R311 PolarHBondContact O-N 3.41Å; R311-V314 WeakPolarHBondContact CD-O 3.43Å; R311-Q316 CarbonylContact C-O 3.51Å; R311-Q316 VanDerWaalsContact CA-O 3.29Å; R311-Q316 WeakPolarHBondContact CA-O 3.4Å; R311-V336 HydrophobicContact CB-CG1 4.42Å; R311-V336 WeakPolarHBondContact CD-O 3.49Å; R311-V336 HydrophobicContact CG-CB 3.92Å; R311-V336 HydrophobicContact CG-CG1 4.19Å; R311-V336 PolarHBondContact NH1-O 3.28Å
312R86.8Confident89.4Confident109 Ų10928.4 Ų28.441%0.41113%0.134SC..EExtended strand (participates in β ladder)trans-109.8137.4171.2-173.5173.4-173.9161.72.1109Y310 V314 Q316 V318Y310-R312 HydrophobicContact CE2-CB 4.3Å; R312-V314 PolarHBondContact O-N 2.98Å; R312-Q316 HydrophobicContact CB-CB 4.29Å; R312-Q316 PolarHBondContact N-O 3Å; R312-Q316 WeakPolarHBondContact O-CA 3.4Å; R312-Q316 VanDerWaalsContact O-CB 3.26Å; R312-Q316 WeakPolarHBondContact O-CB 3.23Å; R312-Q316 PolarHBondContact O-N 3.35Å; R312-Q316 VanDerWaalsContact O-O 3.11Å; R312-V318 HydrophobicContact CB-CG2 3.77Å
313N78.7Confident89.1Confident62 Ų6232.1 Ų32.133%0.33215%0.151SC..THydrogen-bonded Turntrans46.442.2176.4-57.46.6000114.1E238 F239 T315E238-N313 VanDerWaalsContact CD-ND2 3.35Å; E238-N313 VanDerWaalsContact OE1-CB 3.23Å; E238-N313 WeakPolarHBondContact OE1-CB 3.31Å; E238-N313 PolarHBondContact OE1-ND2 2.96Å; E238-N313 VanDerWaalsContact OE1-ND2 3.13Å; E238-N313 WeakPolarHBondContact OE2-CB 3.39Å; E238-N313 VanDerWaalsContact OE2-CG 3.25Å; E238-N313 PolarHBondContact OE2-ND2 3.2Å; F239-N313 VanDerWaalsContact CZ-O 3.29Å; F239-N313 WeakPolarHBondContact CZ-O 3.44Å; N313-T315 PolarHBondContact O-N 3.4Å; N313-T315 PolarHBondContact O-OG1 3.24Å
314V83.3Confident88.9Confident6 Ų633 Ų334%0.03616%0.16CC..THydrogen-bonded Turntrans65.8-39.9175.4-170.30000116.9F239 F297 R311 R312 M335 V336F239-V314 HydrophobicContact CE1-CB 4.43Å; F239-V314 HydrophobicContact CZ-CB 4.14Å; F239-V314 HydrophobicContact CZ-CG2 4.27Å; F297-V314 HydrophobicContact CD1-CG2 3.75Å; F297-V314 HydrophobicContact CE1-CG2 3.51Å; F297-V314 HydrophobicContact CZ-CG2 4.46Å; R311-V314 WeakPolarHBondContact CD-O 3.43Å; R312-V314 PolarHBondContact O-N 2.98Å; V314-M335 HydrophobicContact CG1-CB 4.17Å; V314-M335 HydrophobicContact CG1-CE 4.3Å; V314-M335 HydrophobicContact CG1-CG 3.63Å; V314-M335 HydrophobicContact CG1-SD 4.29Å; V314-V336 WeakPolarHBondContact O-CB 3.3Å; V314-V336 PolarHBondContact O-N 3.23Å
315T85.8Confident88.5Confident13 Ų1334.5 Ų34.58%0.0817%0.172CC..THydrogen-bonded Turntrans-112.3-4.9-172.758.60000113.3F239 T253 L259 N313 C332F239-T315 HydrophobicContact CE1-CG2 4.34Å; T253-T315 HydrophobicContact CG2-CG2 4.04Å; L259-T315 HydrophobicContact CD1-CG2 4.44Å; L259-T315 HydrophobicContact CD2-CG2 3.83Å; N313-T315 PolarHBondContact O-N 3.4Å; N313-T315 PolarHBondContact O-OG1 3.24Å; T315-C332 WeakPolarHBondContact O-CA 3.13Å; T315-C332 WeakPolarHBondContact O-CB 3.32Å; T315-C332 PolarHBondContact O-N 3.19Å
316Q88.8Confident88.6Confident32 Ų3235.8 Ų35.815%0.1518%0.178CC..EExtended strand (participates in β ladder)trans-108.9145.4178.4-51.6177.74.400110.7R311 R312 I330R311-Q316 CarbonylContact C-O 3.51Å; R311-Q316 VanDerWaalsContact CA-O 3.29Å; R311-Q316 WeakPolarHBondContact CA-O 3.4Å; R312-Q316 HydrophobicContact CB-CB 4.29Å; R312-Q316 PolarHBondContact N-O 3Å; R312-Q316 WeakPolarHBondContact O-CA 3.4Å; R312-Q316 VanDerWaalsContact O-CB 3.26Å; R312-Q316 WeakPolarHBondContact O-CB 3.23Å; R312-Q316 PolarHBondContact O-N 3.35Å; R312-Q316 VanDerWaalsContact O-O 3.11Å; Q316-I330 WeakPolarHBondContact CA-O 2.81Å
317V93.5Very high88.8Confident0 Ų038.9 Ų38.90%019%0.19CC..EExtended strand (participates in β ladder)trans-115.3127.6169.7-178.90000107.9V309 I330 V336 V339 L346 V348V309-V317 HydrophobicContact CG1-CG1 3.36Å; V317-I330 HydrophobicContact CB-CB 4.29Å; V317-I330 PolarHBondContact N-O 2.98Å; V317-I330 PolarHBondContact O-N 2.94Å; V317-V336 HydrophobicContact CG2-CB 4.4Å; V317-V336 HydrophobicContact CG2-CG1 3.91Å; V317-V336 HydrophobicContact CG2-CG2 3.7Å; V317-V339 HydrophobicContact CG1-CG1 4.14Å; V317-V339 HydrophobicContact CG2-CG1 3.93Å; V317-L346 HydrophobicContact CG1-CD2 4.35Å; V317-V348 HydrophobicContact CG1-CG2 4.46Å; V317-V348 HydrophobicContact CG2-CG1 3.77Å; V317-V348 HydrophobicContact CG2-CG2 3.96Å
318V92.6Very high88.8Confident1 Ų141.3 Ų41.31%0.00620%0.198CC..EExtended strand (participates in β ladder)trans-110.5124.8175-175.50000107.7V309 Y310 R312 K327 Y328 K329V309-V318 CarbonylContact C-O 3.52Å; V309-V318 VanDerWaalsContact CA-O 3.31Å; V309-V318 WeakPolarHBondContact CA-O 3.4Å; Y310-V318 HydrophobicContact CD1-CB 4.09Å; Y310-V318 HydrophobicContact CD1-CG1 4.5Å; Y310-V318 HydrophobicContact CE1-CB 3.6Å; Y310-V318 HydrophobicContact CE1-CG1 3.65Å; Y310-V318 HydrophobicContact CE2-CB 4.17Å; Y310-V318 HydrophobicContact CE2-CG2 4.27Å; Y310-V318 PolarHBondContact N-O 2.94Å; Y310-V318 PolarHBondContact O-N 3.37Å; R312-V318 HydrophobicContact CB-CG2 3.77Å; V318-K327 HydrophobicContact CG1-CB 4.4Å; V318-K327 HydrophobicContact CG1-CG 4.46Å; V318-Y328 CarbonylContact C-O 3.56Å; V318-Y328 WeakPolarHBondContact CA-O 3.26Å; V318-K329 HydrophobicContact CG2-CG 4.25Å
319V93.1Very high88.7Confident0 Ų046.8 Ų46.80%022%0.222CC..EExtended strand (participates in β ladder)trans-99.4124.4169.5-168.50000106.4V309 K327 Y328 I330 L346 M382 Y384V309-V319 HydrophobicContact CG1-CG2 4.42Å; V309-V319 HydrophobicContact CG2-CB 4.3Å; V309-V319 HydrophobicContact CG2-CG1 3.84Å; V309-V319 HydrophobicContact CG2-CG2 4.11Å; V319-K327 CarbonylContact O-C 3.6Å; V319-K327 WeakPolarHBondContact O-CA 3.37Å; V319-Y328 PolarHBondContact N-O 3.25Å; V319-Y328 PolarHBondContact O-N 3.31Å; V319-I330 HydrophobicContact CG2-CD1 4.43Å; V319-L346 HydrophobicContact CG2-CD2 3.77Å; V319-M382 HydrophobicContact CB-CE 4.12Å; V319-M382 HydrophobicContact CB-SD 4.34Å; V319-M382 HydrophobicContact CG1-CE 3.29Å; V319-M382 HydrophobicContact CG1-SD 4.1Å; V319-Y384 HydrophobicContact CB-CE2 4.1Å; V319-Y384 HydrophobicContact CG1-CE2 3.74Å; V319-Y384 HydrophobicContact CG2-CD2 4.3Å; V319-Y384 HydrophobicContact CG2-CE2 3.98Å
320Q91.4Very high88.5Confident17 Ų1747.2 Ų47.28%0.07923%0.225CC..EExtended strand (participates in β ladder)trans-125.7128-178179.9-179.81.100109Y308 Y310 L322 D325 L326 K327Y308-Q320 PolarHBondContact N-O 3.16Å; Y308-Q320 PolarHBondContact O-N 3.13Å; Y310-Q320 HydrophobicContact CE1-CB 4.44Å; Q320-L322 HydrophobicContact CG-CD2 4.45Å; Q320-D325 PolarHBondContact NE2-OD1 3.49Å; Q320-L326 CarbonylContact C-O 3.32Å; Q320-L326 VanDerWaalsContact CA-O 3.29Å; Q320-L326 WeakPolarHBondContact CA-O 3.22Å; Q320-K327 HydrophobicContact CB-CG 4.02Å; Q320-K327 HydrophobicContact CG-CD 4.48Å; Q320-K327 HydrophobicContact CG-CG 3.81Å
321H89.1Confident88.2Confident47 Ų4755 Ų5522%0.21825%0.254CS..EExtended strand (participates in β ladder)trans-85116.3168.5-166.7-62.4000108.5D306 L307 I323 S324 D325 L326 M382D306-H321 IonicContact OD2-CE1 2.76Å; D306-H321 PolarHBondContact OD2-CE1 3.15Å; D306-H321 IonicContact OD2-ND1 2.87Å; D306-H321 IonicContact OD2-NE2 3.43Å; D306-H321 PolarHBondContact OD2-NE2 3.31Å; L307-H321 HydrophobicContact CD2-CB 4.4Å; H321-I323 PolarHBondContact ND1-N 3.46Å; H321-I323 PolarHBondContact O-N 2.96Å; H321-S324 VanDerWaalsContact CB-OG 3.27Å; H321-S324 WeakPolarHBondContact CB-OG 3.3Å; H321-S324 PolarHBondContact ND1-N 3.3Å; H321-S324 PolarHBondContact ND1-OG 3.46Å; H321-D325 WeakPolarHBondContact O-CA 3.35Å; H321-D325 PolarHBondContact O-N 2.94Å; H321-L326 HydrophobicContact CB-CB 4.38Å; H321-L326 PolarHBondContact N-O 3.39Å; H321-M382 HydrophobicContact CB-CE 3.87Å; H321-M382 HydrophobicContact CB-SD 4.44Å
322L87Confident87.9Confident6 Ų654.4 Ų54.43%0.03125%0.254CS..THydrogen-bonded Turntrans-69.4-32-170-68.2178.9000113.4L303 D306 Y308 Q320 F563 M570 T572L303-L322 HydrophobicContact CD1-CD1 3.79Å; D306-L322 WeakPolarHBondContact O-CB 3.4Å; D306-L322 WeakPolarHBondContact O-CG 3.46Å; D306-L322 PolarHBondContact O-N 2.8Å; Y308-L322 HydrophobicContact CD1-CD2 4.48Å; Y308-L322 HydrophobicContact CG-CD2 4.31Å; Q320-L322 HydrophobicContact CG-CD2 4.45Å; L322-F563 HydrophobicContact CB-CD1 4.22Å; L322-F563 HydrophobicContact CB-CE1 3.83Å; L322-F563 HydrophobicContact CB-CZ 4.15Å; L322-F563 HydrophobicContact CD1-CB 4.1Å; L322-F563 HydrophobicContact CD1-CD1 3.74Å; L322-F563 HydrophobicContact CD1-CD2 3.84Å; L322-F563 HydrophobicContact CD1-CE1 4.05Å; L322-F563 HydrophobicContact CD1-CE2 4.16Å; L322-F563 HydrophobicContact CD1-CG 3.62Å; L322-F563 HydrophobicContact CD1-CZ 4.26Å; L322-M570 HydrophobicContact CD1-CE 3.83Å; L322-M570 HydrophobicContact CD1-CG 4.49Å; L322-M570 HydrophobicContact CD2-CG 3.72Å; L322-T572 HydrophobicContact CB-CG2 3.76Å; L322-T572 HydrophobicContact CD2-CG2 4.35Å; L322-T572 WeakPolarHBondContact O-CG2 3.44Å
323I84.8Confident87.6Confident92 Ų9251.9 Ų51.947%0.47225%0.253SS..THydrogen-bonded Turntrans-79.1-42.9-179.3-51.9-179.1000112.1D306 H321 F563D306-I323 HydrophobicContact CB-CD1 3.97Å; D306-I323 HydrophobicContact CB-CG1 3.97Å; D306-I323 WeakPolarHBondContact OD2-CD1 3.35Å; H321-I323 PolarHBondContact ND1-N 3.46Å; H321-I323 PolarHBondContact O-N 2.96Å; I323-F563 HydrophobicContact CG1-CZ 4.3Å
324S84.5Confident87.8Confident59 Ų5950.3 Ų50.341%0.41324%0.244SC..THydrogen-bonded Turntrans-94.6-4.6-178.359.60000114.3H321 L326H321-S324 VanDerWaalsContact CB-OG 3.27Å; H321-S324 WeakPolarHBondContact CB-OG 3.3Å; H321-S324 PolarHBondContact ND1-N 3.3Å; H321-S324 PolarHBondContact ND1-OG 3.46Å; S324-L326 PolarHBondContact O-N 2.94Å
325D83.4Confident87.9Confident86 Ų8650.6 Ų50.646%0.4625%0.245SC..  trans52.115.3-172.2-158.740.9000116.1Q320 H321 K327Q320-D325 PolarHBondContact NE2-OD1 3.49Å; H321-D325 WeakPolarHBondContact O-CA 3.35Å; H321-D325 PolarHBondContact O-N 2.94Å; D325-K327 PolarHBondContact O-N 3.07Å; D325-K327 VanDerWaalsContact OD1-CE 3.24Å; D325-K327 WeakPolarHBondContact OD1-CE 3.31Å; D325-K327 IonicContact OD1-NZ 3.62Å; D325-K327 PolarHBondContact OD1-NZ 2.84Å; D325-K327 IonicContact OD2-NZ 2.93Å; D325-K327 PolarHBondContact OD2-NZ 3.24Å
326L88.3Confident88.2Confident91 Ų9150 Ų5048%0.47624%0.242SC..  trans-65.4133.9175.4-65.5175.9000110.2Q320 H321 S324Q320-L326 CarbonylContact C-O 3.32Å; Q320-L326 VanDerWaalsContact CA-O 3.29Å; Q320-L326 WeakPolarHBondContact CA-O 3.22Å; H321-L326 HydrophobicContact CB-CB 4.38Å; H321-L326 PolarHBondContact N-O 3.39Å; S324-L326 PolarHBondContact O-N 2.94Å
327K89.8Confident88.2Confident103 Ų10352.9 Ų52.945%0.44825%0.254SS..EExtended strand (participates in β ladder)trans-126.2128.9-176.4-72.5164.9-173.3134.30111.2V318 V319 Q320 D325V318-K327 HydrophobicContact CG1-CB 4.4Å; V318-K327 HydrophobicContact CG1-CG 4.46Å; V319-K327 CarbonylContact O-C 3.6Å; V319-K327 WeakPolarHBondContact O-CA 3.37Å; Q320-K327 HydrophobicContact CB-CG 4.02Å; Q320-K327 HydrophobicContact CG-CD 4.48Å; Q320-K327 HydrophobicContact CG-CG 3.81Å; D325-K327 PolarHBondContact O-N 3.07Å; D325-K327 VanDerWaalsContact OD1-CE 3.24Å; D325-K327 WeakPolarHBondContact OD1-CE 3.31Å; D325-K327 IonicContact OD1-NZ 3.62Å; D325-K327 PolarHBondContact OD1-NZ 2.84Å; D325-K327 IonicContact OD2-NZ 2.93Å; D325-K327 PolarHBondContact OD2-NZ 3.24Å
328Y90.9Very high88.2Confident66 Ų6655.9 Ų55.926%0.25927%0.267SS..EExtended strand (participates in β ladder)trans-118135.8172.9-172.3-99.7000110.8V318 V319 I330 M382 E383 Y384V318-Y328 CarbonylContact C-O 3.56Å; V318-Y328 WeakPolarHBondContact CA-O 3.26Å; V319-Y328 PolarHBondContact N-O 3.25Å; V319-Y328 PolarHBondContact O-N 3.31Å; Y328-I330 HydrophobicContact CD1-CD1 4.42Å; Y328-I330 HydrophobicContact CD1-CG1 3.88Å; Y328-I330 HydrophobicContact CE1-CD1 4.32Å; Y328-I330 HydrophobicContact CE1-CG1 3.64Å; Y328-M382 WeakPolarHBondContact CB-O 3.07Å; Y328-M382 WeakPolarHBondContact CD2-O 3.28Å; Y328-E383 HydrophobicContact CE2-CB 4.18Å; Y328-E383 HydrophobicContact CE2-CG 4.06Å; Y328-Y384 AromaticContact CD1-CD2 3.86Å; Y328-Y384 HydrophobicContact CD1-CD2 3.86Å; Y328-Y384 HydrophobicContact CD1-CG 4.48Å; Y328-Y384 HydrophobicContact CE1-CD2 4.27Å; Y328-Y384 HydrophobicContact CG-CD2 4.45Å; Y328-Y384 PolarHBondContact OH-O 3.44Å
329K91.2Very high88.3Confident120 Ų12056.1 Ų56.152%0.52227%0.268SS..EExtended strand (participates in β ladder)trans-115.8119.9-173.8-62.3-177.8-174.4169.10111V318V318-K329 HydrophobicContact CG2-CG 4.25Å
330I91.4Very high88.4Confident9 Ų956.7 Ų56.75%0.04627%0.272CS..EExtended strand (participates in β ladder)trans-102.6121.4173.1-60.3167.5000108.1Q316 V317 V319 Y328 L346 Y357 Y384Q316-I330 WeakPolarHBondContact CA-O 2.81Å; V317-I330 HydrophobicContact CB-CB 4.29Å; V317-I330 PolarHBondContact N-O 2.98Å; V317-I330 PolarHBondContact O-N 2.94Å; V319-I330 HydrophobicContact CG2-CD1 4.43Å; Y328-I330 HydrophobicContact CD1-CD1 4.42Å; Y328-I330 HydrophobicContact CD1-CG1 3.88Å; Y328-I330 HydrophobicContact CE1-CD1 4.32Å; Y328-I330 HydrophobicContact CE1-CG1 3.64Å; I330-L346 HydrophobicContact CD1-CD2 3.42Å; I330-L346 VanDerWaalsContact CD1-CD2 3.42Å; I330-Y357 HydrophobicContact CD1-CD1 4.18Å; I330-Y357 HydrophobicContact CD1-CD2 4.38Å; I330-Y357 HydrophobicContact CD1-CE1 4.35Å; I330-Y357 HydrophobicContact CD1-CG 4.22Å; I330-Y357 HydrophobicContact CG2-CE1 4.02Å; I330-Y357 HydrophobicContact CG2-CE2 4.1Å; I330-Y357 WeakPolarHBondContact CG2-OH 3.14Å; I330-Y384 HydrophobicContact CD1-CG 4.46Å
331R86.3Confident88.5Confident209 Ų20956.2 Ų56.279%0.78927%0.271SS*.EExtended strand (participates in β ladder)trans-92.9121.3173.9-66.8-178.7-179.8164.6-0109.3
332C85.2Confident88.8Confident15 Ų1554.4 Ų54.410%0.10126%0.262CS..PPolyproline II helixtrans-99.8150.6170.5-540000109.7T315 D334 V336 L350T315-C332 WeakPolarHBondContact O-CA 3.13Å; T315-C332 WeakPolarHBondContact O-CB 3.32Å; T315-C332 PolarHBondContact O-N 3.19Å; C332-D334 VanDerWaalsContact C-N 3.33Å; C332-V336 HydrophobicContact CB-CG2 4.19Å; C332-L350 HydrophobicContact CB-CD2 4Å
333S80.2Confident88.9Confident56 Ų5658.6 Ų58.639%0.39228%0.28SS..SBendtrans-73.4-30.6171.858.10000112.1V257 R353V257-S333 WeakPolarHBondContact CG1-O 3.33Å; S333-R353 PolarHBondContact OG-NH2 3.32Å
334D83.5Confident89Confident28 Ų2856.4 Ų56.415%0.1527%0.269CS..SBendtrans-110.2167.1-169.4-42.9-30.4000110.9C332 V336 L350 R353C332-D334 VanDerWaalsContact C-N 3.33Å; D334-V336 PolarHBondContact O-N 3.43Å; D334-L350 HydrophobicContact CB-CB 4.22Å; D334-L350 HydrophobicContact CB-CD1 4.15Å; D334-L350 HydrophobicContact CB-CD2 4.24Å; D334-L350 HydrophobicContact CB-CG 4.44Å; D334-R353 IonicContact OD1-NH2 3.17Å; D334-R353 IonicContact OD2-CZ 2.78Å; D334-R353 IonicContact OD2-NE 3.84Å; D334-R353 PolarHBondContact OD2-NE 3.12Å; D334-R353 VanDerWaalsContact OD2-NE 3.15Å; D334-R353 IonicContact OD2-NH2 3.92Å; D334-R353 PolarHBondContact OD2-NH2 3.45Å
335M85.4Confident89.4Confident13 Ų1356 Ų566%0.06426%0.26CS..  trans-61.9122.5175.9176.7176-174.300111.8M1 L259 V314 K337 P351M1-M335 HydrophobicContact CB-CE 3.48Å; M1-M335 VanDerWaalsContact CB-CE 3.48Å; L259-M335 HydrophobicContact CD2-CB 4.03Å; V314-M335 HydrophobicContact CG1-CB 4.17Å; V314-M335 HydrophobicContact CG1-CE 4.3Å; V314-M335 HydrophobicContact CG1-CG 3.63Å; V314-M335 HydrophobicContact CG1-SD 4.29Å; M335-K337 PolarHBondContact O-N 3.04Å; M335-P351 HydrophobicContact CB-CG 4.26Å; M335-P351 WeakPolarHBondContact O-CD 3.39Å
336V90.9Very high90Very high0 Ų051.9 Ų51.90%024%0.238CC..  trans-73.6110.4171178.60000108.6V300 R311 V314 V317 C332 D334 V339 V348 L350V300-V336 HydrophobicContact CG1-CG1 4.43Å; R311-V336 HydrophobicContact CB-CG1 4.42Å; R311-V336 WeakPolarHBondContact CD-O 3.49Å; R311-V336 HydrophobicContact CG-CB 3.92Å; R311-V336 HydrophobicContact CG-CG1 4.19Å; R311-V336 PolarHBondContact NH1-O 3.28Å; V314-V336 WeakPolarHBondContact O-CB 3.3Å; V314-V336 PolarHBondContact O-N 3.23Å; V317-V336 HydrophobicContact CG2-CB 4.4Å; V317-V336 HydrophobicContact CG2-CG1 3.91Å; V317-V336 HydrophobicContact CG2-CG2 3.7Å; C332-V336 HydrophobicContact CB-CG2 4.19Å; D334-V336 PolarHBondContact O-N 3.43Å; V336-V339 HydrophobicContact CG1-CG1 3.55Å; V336-V348 HydrophobicContact CB-CG1 4.46Å; V336-V348 HydrophobicContact CG1-CG1 3.89Å; V336-V348 HydrophobicContact CG2-CG1 3.94Å; V336-L350 HydrophobicContact CG2-CD2 4.07Å
337K90.1Very high90.3Very high92 Ų9247.6 Ų47.640%0.422%0.215SC..  trans-82.2-48.2178.7-75-171.7172.4175.60111.5V300 M335 R349V300-K337 WeakPolarHBondContact CG2-O 3.46Å; M335-K337 PolarHBondContact O-N 3.04Å; K337-R349 HydrophobicContact CB-CG 4.31Å; K337-R349 PolarHBondContact N-O 3.02Å
338K92.7Very high90.5Very high63 Ų6342.7 Ų42.727%0.27419%0.194SC..EExtended strand (participates in β ladder)trans-146.3154.6-179.9-69.8-70.2171.61600110.3R349 N397 L399K338-R349 HydrophobicContact CB-CB 4.09Å; K338-R349 PolarHBondContact N-O 3.19Å; K338-R349 WeakPolarHBondContact O-CB 3.12Å; K338-R349 PolarHBondContact O-N 3.5Å; K338-N397 WeakPolarHBondContact CE-O 3.34Å; K338-N397 PolarHBondContact NZ-O 3.38Å; K338-L399 HydrophobicContact CB-CB 3.93Å; K338-L399 HydrophobicContact CB-CD2 3.94Å; K338-L399 HydrophobicContact CG-CB 4.48Å
339V94.9Very high90.6Very high7 Ų739.7 Ų39.74%0.04218%0.182CC..EExtended strand (participates in β ladder)trans-130.5150.9172.8-61.60000108.6V300 A302 V309 V317 V336 A347 V348V300-V339 HydrophobicContact CG1-CB 4.42Å; V300-V339 HydrophobicContact CG1-CG1 4.14Å; V300-V339 HydrophobicContact CG1-CG2 3.88Å; A302-V339 HydrophobicContact CB-CG2 4.04Å; V309-V339 HydrophobicContact CG1-CB 4.13Å; V309-V339 HydrophobicContact CG1-CG2 4.02Å; V317-V339 HydrophobicContact CG1-CG1 4.14Å; V317-V339 HydrophobicContact CG2-CG1 3.93Å; V336-V339 HydrophobicContact CG1-CG1 3.55Å; V339-A347 CarbonylContact C-O 3.57Å; V339-A347 WeakPolarHBondContact CA-O 3.37Å; V339-V348 HydrophobicContact CG1-CG1 4.48Å
340S95Very high90.5Very high11 Ų1134 Ų348%0.07716%0.157CC..EExtended strand (participates in β ladder)trans-150136.6173.9-160.90000109.3A347 L399 V400 L401S340-A347 PolarHBondContact N-O 2.88Å; S340-A347 PolarHBondContact O-N 2.95Å; S340-L399 WeakPolarHBondContact CB-O 3.27Å; S340-L399 PolarHBondContact OG-O 3.34Å; S340-V400 WeakPolarHBondContact OG-CA 3.32Å; S340-L401 PolarHBondContact OG-N 3.19Å
341V94.4Very high90.2Very high8 Ų835 Ų355%0.04816%0.164CC..EExtended strand (participates in β ladder)trans-124.8140.7-178.4560000109A302 Y304 V309 K345A302-V341 HydrophobicContact CB-CG1 3.91Å; Y304-V341 WeakPolarHBondContact CB-O 3.3Å; V309-V341 HydrophobicContact CB-CG1 4.39Å; V309-V341 HydrophobicContact CG2-CB 3.81Å; V309-V341 HydrophobicContact CG2-CG1 3.81Å; V309-V341 HydrophobicContact CG2-CG2 4.17Å; V341-K345 WeakPolarHBondContact CA-O 3.39Å
342Y93.9Very high90.1Very high8 Ų832.2 Ų32.23%0.03116%0.161CC..EExtended strand (participates in β ladder)trans-154.1121.8175.3-175.5-106000110Y304 N344 K345 L401 C402 V438Y304-Y342 AromaticContact CD2-CD2 3.61Å; Y304-Y342 HydrophobicContact CD2-CD2 3.61Å; Y304-Y342 HydrophobicContact CD2-CE2 4.19Å; Y304-Y342 HydrophobicContact CD2-CG 4.43Å; Y304-Y342 AromaticContact CE2-CD2 3.37Å; Y304-Y342 HydrophobicContact CE2-CD2 3.37Å; Y304-Y342 AromaticContact CE2-CE2 3.52Å; Y304-Y342 HydrophobicContact CE2-CE2 3.52Å; Y304-Y342 HydrophobicContact CE2-CG 4.29Å; Y342-N344 PolarHBondContact O-N 3.17Å; Y342-K345 PolarHBondContact N-O 3.08Å; Y342-K345 PolarHBondContact O-N 3.44Å; Y342-L401 WeakPolarHBondContact CB-O 3.43Å; Y342-C402 VanDerWaalsContact CD1-C 3.46Å; Y342-V438 HydrophobicContact CD2-CB 4.28Å; Y342-V438 HydrophobicContact CD2-CG1 4.26Å; Y342-V438 HydrophobicContact CD2-CG2 4.48Å; Y342-V438 HydrophobicContact CE2-CB 4.03Å; Y342-V438 HydrophobicContact CE2-CG1 3.6Å
343K89.9Confident90.3Very high94 Ų9435.2 Ų35.241%0.40917%0.17SC..THydrogen-bonded Turntrans51.3-123.2-172.7-61.1-178.6177.1-175.90110.1Y304Y304-K343 VanDerWaalsContact CD1-N 3.33Å; Y304-K343 VanDerWaalsContact CE1-CA 3.49Å; Y304-K343 HydrophobicContact CE1-CB 4.44Å; Y304-K343 HydrophobicContact CE1-CG 4.17Å; Y304-K343 WeakPolarHBondContact OH-CG 3.48Å
344N87.9Confident90.8Very high47 Ų4732.7 Ų32.725%0.25115%0.152SC..THydrogen-bonded Turntrans-93.818.817965.3-16.3000113.4Y342 R358 Q359Y342-N344 PolarHBondContact O-N 3.17Å; N344-R358 PolarHBondContact ND2-NE 3.06Å; N344-R358 CarbonylContact O-C 3.53Å; N344-R358 VanDerWaalsContact O-CA 3.29Å; N344-R358 WeakPolarHBondContact O-CA 3.33Å; N344-Q359 HydrophobicContact CB-CB 4.13Å; N344-Q359 PolarHBondContact O-N 2.84Å
345K92.6Very high91.3Very high50 Ų5032 Ų3222%0.21715%0.148CC..EExtended strand (participates in β ladder)trans-119.6144.8-178.6-60.4-176.1-178.6-176.80110.9V341 Y342 Y357 L401 S403 L419V341-K345 WeakPolarHBondContact CA-O 3.39Å; Y342-K345 PolarHBondContact N-O 3.08Å; Y342-K345 PolarHBondContact O-N 3.44Å; K345-Y357 WeakPolarHBondContact CA-O 3.5Å; K345-L401 HydrophobicContact CB-CD2 3.74Å; K345-L401 WeakPolarHBondContact O-CD2 3.48Å; K345-S403 PolarHBondContact NZ-O 2.94Å; K345-L419 HydrophobicContact CD-CD1 4.2Å
346L94.8Very high91.7Very high0 Ų032 Ų320%015%0.148CC..EExtended strand (participates in β ladder)trans-132.5125.8178.4165.164.9000109.6V309 V317 V319 I330 V348 Y357 Y384V309-L346 HydrophobicContact CB-CD1 4.49Å; V309-L346 HydrophobicContact CG1-CD1 3.77Å; V309-L346 HydrophobicContact CG2-CD1 4.26Å; V317-L346 HydrophobicContact CG1-CD2 4.35Å; V319-L346 HydrophobicContact CG2-CD2 3.77Å; I330-L346 HydrophobicContact CD1-CD2 3.42Å; I330-L346 VanDerWaalsContact CD1-CD2 3.42Å; L346-V348 HydrophobicContact CD1-CG2 4.23Å; L346-V348 HydrophobicContact CD2-CG2 4.24Å; L346-V348 HydrophobicContact CG-CG2 4.02Å; L346-Y357 PolarHBondContact N-O 3.35Å; L346-Y357 PolarHBondContact O-N 3.36Å; L346-Y384 HydrophobicContact CB-CD1 4Å; L346-Y384 HydrophobicContact CB-CE1 3.74Å; L346-Y384 HydrophobicContact CD2-CD1 4.23Å; L346-Y384 HydrophobicContact CD2-CE1 4.32Å
347A94.7Very high91.8Very high0 Ų033.2 Ų33.20%015%0.153CC..EExtended strand (participates in β ladder)trans-105.6125.717300000109.6V339 S340 M354 L355 L356 L399 L401V339-A347 CarbonylContact C-O 3.57Å; V339-A347 WeakPolarHBondContact CA-O 3.37Å; S340-A347 PolarHBondContact N-O 2.88Å; S340-A347 PolarHBondContact O-N 2.95Å; A347-M354 HydrophobicContact CB-SD 4.31Å; A347-L355 WeakPolarHBondContact CA-O 3.34Å; A347-L356 HydrophobicContact CB-CD2 3.73Å; A347-L399 HydrophobicContact CB-CD2 4.43Å; A347-L401 HydrophobicContact CB-CB 4.49Å; A347-L401 HydrophobicContact CB-CD1 4.16Å; A347-L401 HydrophobicContact CB-CD2 4.01Å; A347-L401 HydrophobicContact CB-CG 4.47Å
348V94.8Very high91.8Very high0 Ų035.3 Ų35.30%016%0.158CC..EExtended strand (participates in β ladder)trans-115.6112.3175.3-176.10000108.3V317 V336 V339 L346 L350 M354 L355 Y357V317-V348 HydrophobicContact CG1-CG2 4.46Å; V317-V348 HydrophobicContact CG2-CG1 3.77Å; V317-V348 HydrophobicContact CG2-CG2 3.96Å; V336-V348 HydrophobicContact CB-CG1 4.46Å; V336-V348 HydrophobicContact CG1-CG1 3.89Å; V336-V348 HydrophobicContact CG2-CG1 3.94Å; V339-V348 HydrophobicContact CG1-CG1 4.48Å; L346-V348 HydrophobicContact CD1-CG2 4.23Å; L346-V348 HydrophobicContact CD2-CG2 4.24Å; L346-V348 HydrophobicContact CG-CG2 4.02Å; V348-L350 HydrophobicContact CG1-CD2 4.09Å; V348-M354 WeakPolarHBondContact O-CA 3.46Å; V348-L355 HydrophobicContact CB-CB 4.35Å; V348-L355 PolarHBondContact N-O 3.26Å; V348-L355 PolarHBondContact O-N 2.55Å; V348-Y357 HydrophobicContact CB-CE2 4.48Å; V348-Y357 HydrophobicContact CG2-CD2 4.09Å; V348-Y357 HydrophobicContact CG2-CE2 4.05Å
349R92.4Very high91.5Very high4 Ų434.4 Ų34.42%0.01516%0.155CC..EExtended strand (participates in β ladder)trans-87.2118.8177.7-179.562178.2140.813.9109.8K337 K338 P351 R353 K392 D393 I394 L399K337-R349 HydrophobicContact CB-CG 4.31Å; K337-R349 PolarHBondContact N-O 3.02Å; K338-R349 HydrophobicContact CB-CB 4.09Å; K338-R349 PolarHBondContact N-O 3.19Å; K338-R349 WeakPolarHBondContact O-CB 3.12Å; K338-R349 PolarHBondContact O-N 3.5Å; R349-P351 PolarHBondContact NH2-O 3.28Å; R349-R353 PolarHBondContact NH1-O 3.34Å; R349-R353 VanDerWaalsContact NH1-O 3.08Å; R349-K392 PolarHBondContact NH1-O 3.32Å; R349-K392 PolarHBondContact NH2-O 3.34Å; R349-D393 IonicContact NH2-OD1 3.77Å; R349-D393 PolarHBondContact NH2-OD1 3.14Å; R349-D393 VanDerWaalsContact NH2-OD1 3.16Å; R349-I394 PolarHBondContact NE-O 3.28Å; R349-I394 PolarHBondContact NH2-O 2.84Å; R349-L399 HydrophobicContact CB-CD2 3.98Å
350L90.3Very high90.5Very high0 Ų039.1 Ų39.10%017%0.173CC..  trans-100.4177171.4-56.3-178.6000109.5C332 D334 V336 V348 R353 L355C332-L350 HydrophobicContact CB-CD2 4Å; D334-L350 HydrophobicContact CB-CB 4.22Å; D334-L350 HydrophobicContact CB-CD1 4.15Å; D334-L350 HydrophobicContact CB-CD2 4.24Å; D334-L350 HydrophobicContact CB-CG 4.44Å; V336-L350 HydrophobicContact CG2-CD2 4.07Å; V348-L350 HydrophobicContact CG1-CD2 4.09Å; L350-R353 CarbonylContact C-O 3.53Å; L350-R353 WeakPolarHBondContact CA-O 3.39Å; L350-R353 HydrophobicContact CB-CG 4.12Å; L350-R353 WeakPolarHBondContact CB-O 3.48Å; L350-R353 HydrophobicContact CD1-CG 4.14Å; L350-R353 PolarHBondContact N-O 2.91Å; L350-L355 HydrophobicContact CD1-CD1 3.64Å; L350-L355 HydrophobicContact CD1-CD2 4.46Å; L350-L355 HydrophobicContact CD1-CG 3.83Å; L350-L355 HydrophobicContact CG-CD1 4.45Å; L350-L355 HydrophobicContact CG-CG 4.44Å
351P83.6Confident88.7Confident29 Ų2941.9 Ų41.919%0.18819%0.192CC..SBendtrans-61.5-48.3-174.9-25.837.7000113.7M335 R349M335-P351 HydrophobicContact CB-CG 4.26Å; M335-P351 WeakPolarHBondContact O-CD 3.39Å; R349-P351 PolarHBondContact NH2-O 3.28Å
352Q85Confident86.3Confident152 Ų15245.2 Ų45.271%0.7121%0.212SC*.SBendtrans-107.8-10.1-175.4-66.7177.3-6.600113.7K392Q352-K392 CarbonylContact O-C 3.58Å; Q352-K392 VanDerWaalsContact O-C 3.32Å; Q352-K392 PolarHBondContact O-N 3.29Å
353R89.9Confident83.9Confident78 Ų7852.6 Ų52.629%0.29425%0.247SC..  trans-146.8166.3-173.361.4-174.7171.6176.2-0.9112.1S333 D334 R349 L350 T389 I390S333-R353 PolarHBondContact OG-NH2 3.32Å; D334-R353 IonicContact OD1-NH2 3.17Å; D334-R353 IonicContact OD2-CZ 2.78Å; D334-R353 IonicContact OD2-NE 3.84Å; D334-R353 PolarHBondContact OD2-NE 3.12Å; D334-R353 VanDerWaalsContact OD2-NE 3.15Å; D334-R353 IonicContact OD2-NH2 3.92Å; D334-R353 PolarHBondContact OD2-NH2 3.45Å; R349-R353 PolarHBondContact NH1-O 3.34Å; R349-R353 VanDerWaalsContact NH1-O 3.08Å; L350-R353 CarbonylContact C-O 3.53Å; L350-R353 WeakPolarHBondContact CA-O 3.39Å; L350-R353 HydrophobicContact CB-CG 4.12Å; L350-R353 WeakPolarHBondContact CB-O 3.48Å; L350-R353 HydrophobicContact CD1-CG 4.14Å; L350-R353 PolarHBondContact N-O 2.91Å; R353-T389 HydrophobicContact CB-CG2 4.16Å; R353-T389 HydrophobicContact CG-CG2 4.44Å; R353-I390 CarbonylContact C-O 3.58Å; R353-I390 VanDerWaalsContact CA-O 3.24Å; R353-I390 WeakPolarHBondContact CA-O 3.33Å
354M91.1Very high81.4Confident2 Ų256.1 Ų56.11%0.0127%0.265CS..EExtended strand (participates in β ladder)trans-126.6131.8174.6179.9179.268.200109.4A347 V348 L356 T389 I390 V406 F408A347-M354 HydrophobicContact CB-SD 4.31Å; V348-M354 WeakPolarHBondContact O-CA 3.46Å; M354-L356 HydrophobicContact CE-CD1 4.41Å; M354-L356 HydrophobicContact CE-CD2 4Å; M354-L356 HydrophobicContact CE-CG 4.2Å; M354-L356 HydrophobicContact SD-CD2 4.43Å; M354-T389 CarbonylContact O-C 3.53Å; M354-T389 WeakPolarHBondContact O-CA 3.34Å; M354-I390 HydrophobicContact CB-CB 4.42Å; M354-I390 HydrophobicContact CE-CB 4.2Å; M354-I390 HydrophobicContact CE-CD1 3.37Å; M354-I390 HydrophobicContact CE-CG1 4.29Å; M354-I390 PolarHBondContact N-O 3.12Å; M354-I390 PolarHBondContact O-N 2.9Å; M354-V406 HydrophobicContact CE-CB 4.25Å; M354-V406 HydrophobicContact CE-CG1 4.15Å; M354-V406 HydrophobicContact CE-CG2 3.86Å; M354-V406 HydrophobicContact SD-CG1 3.84Å; M354-V406 HydrophobicContact SD-CG2 4.43Å; M354-F408 HydrophobicContact CE-CZ 4.01Å; M354-F408 HydrophobicContact SD-CE1 4.17Å; M354-F408 HydrophobicContact SD-CZ 3.63Å
355L93.3Very high78.6Confident13 Ų1358.9 Ų58.97%0.06829%0.288CS..EExtended strand (participates in β ladder)trans-99.2130.8176.5-55.1-179000109A347 V348 L350 Y357 L386 T389A347-L355 WeakPolarHBondContact CA-O 3.34Å; V348-L355 HydrophobicContact CB-CB 4.35Å; V348-L355 PolarHBondContact N-O 3.26Å; V348-L355 PolarHBondContact O-N 2.55Å; L350-L355 HydrophobicContact CD1-CD1 3.64Å; L350-L355 HydrophobicContact CD1-CD2 4.46Å; L350-L355 HydrophobicContact CD1-CG 3.83Å; L350-L355 HydrophobicContact CG-CD1 4.45Å; L350-L355 HydrophobicContact CG-CG 4.44Å; L355-Y357 HydrophobicContact CB-CD2 4.19Å; L355-Y357 HydrophobicContact CB-CE2 3.55Å; L355-Y357 HydrophobicContact CD1-CE2 4.07Å; L355-Y357 HydrophobicContact CG-CE2 4.47Å; L355-L386 HydrophobicContact CB-CD1 3.81Å; L355-L386 HydrophobicContact CD2-CD1 4.06Å; L355-L386 HydrophobicContact CG-CD1 4.39Å; L355-T389 HydrophobicContact CD2-CG2 3.86Å; L355-T389 WeakPolarHBondContact CD2-OG1 3.36Å
356L93.2Very high75.8Confident13 Ų1364.5 Ų64.57%0.06832%0.32CS..EExtended strand (participates in β ladder)trans-110.4116.4174.9-67.7177.2000108.8A347 M354 V387 R388 I390 L401 V406 L419A347-L356 HydrophobicContact CB-CD2 3.73Å; M354-L356 HydrophobicContact CE-CD1 4.41Å; M354-L356 HydrophobicContact CE-CD2 4Å; M354-L356 HydrophobicContact CE-CG 4.2Å; M354-L356 HydrophobicContact SD-CD2 4.43Å; L356-V387 PolarHBondContact O-N 2.82Å; L356-R388 HydrophobicContact CB-CB 4.42Å; L356-R388 PolarHBondContact N-O 3.24Å; L356-R388 PolarHBondContact O-N 3.47Å; L356-I390 HydrophobicContact CD1-CD1 3.72Å; L356-I390 HydrophobicContact CG-CD1 4.46Å; L356-L401 HydrophobicContact CD2-CD1 4.39Å; L356-V406 HydrophobicContact CD2-CG2 4.21Å; L356-L419 HydrophobicContact CD1-CB 4.16Å; L356-L419 HydrophobicContact CD1-CD2 4Å
357Y93.5Very high72.9Confident27 Ų2767.9 Ų67.911%0.10636%0.355CS..EExtended strand (participates in β ladder)trans-105.2153.1176.5-67.4-94.5000111I330 K345 L346 V348 L355 D385 L386I330-Y357 HydrophobicContact CD1-CD1 4.18Å; I330-Y357 HydrophobicContact CD1-CD2 4.38Å; I330-Y357 HydrophobicContact CD1-CE1 4.35Å; I330-Y357 HydrophobicContact CD1-CG 4.22Å; I330-Y357 HydrophobicContact CG2-CE1 4.02Å; I330-Y357 HydrophobicContact CG2-CE2 4.1Å; I330-Y357 WeakPolarHBondContact CG2-OH 3.14Å; K345-Y357 WeakPolarHBondContact CA-O 3.5Å; L346-Y357 PolarHBondContact N-O 3.35Å; L346-Y357 PolarHBondContact O-N 3.36Å; V348-Y357 HydrophobicContact CB-CE2 4.48Å; V348-Y357 HydrophobicContact CG2-CD2 4.09Å; V348-Y357 HydrophobicContact CG2-CE2 4.05Å; L355-Y357 HydrophobicContact CB-CD2 4.19Å; L355-Y357 HydrophobicContact CB-CE2 3.55Å; L355-Y357 HydrophobicContact CD1-CE2 4.07Å; L355-Y357 HydrophobicContact CG-CE2 4.47Å; Y357-D385 CarbonylContact C-O 3.51Å; Y357-D385 WeakPolarHBondContact CA-O 3.41Å; Y357-L386 HydrophobicContact CD1-CB 4.1Å; Y357-L386 HydrophobicContact CD2-CD1 4.46Å; Y357-L386 HydrophobicContact CE1-CB 3.74Å; Y357-L386 HydrophobicContact CE1-CD1 4.15Å; Y357-L386 HydrophobicContact CE2-CD1 4.11Å
358R90.4Very high69.9Low136 Ų13676 Ų7651%0.51340%0.397SS..EExtended strand (participates in β ladder)trans-128.5134.3171.3-176.3177.9-177.3165-2.6109.7N344 Y384 D385 V387N344-R358 PolarHBondContact ND2-NE 3.06Å; N344-R358 CarbonylContact O-C 3.53Å; N344-R358 VanDerWaalsContact O-CA 3.29Å; N344-R358 WeakPolarHBondContact O-CA 3.33Å; R358-Y384 WeakPolarHBondContact O-CA 3.29Å; R358-D385 PolarHBondContact N-O 3.41Å; R358-D385 PolarHBondContact O-N 3.06Å; R358-V387 HydrophobicContact CB-CG2 3.45Å; R358-V387 VanDerWaalsContact CB-CG2 3.45Å
359Q85.9Confident66.9Low43 Ų4381.3 Ų81.320%0.20143%0.434CS..EExtended strand (participates in β ladder)trans-72133.4174.6-169.2-179-9.400110N344 E383 Y384N344-Q359 HydrophobicContact CB-CB 4.13Å; N344-Q359 PolarHBondContact O-N 2.84Å; Q359-E383 CarbonylContact C-O 3.53Å; Q359-E383 VanDerWaalsContact CA-O 3.24Å; Q359-E383 WeakPolarHBondContact CA-O 3.24Å; Q359-E383 WeakPolarHBondContact CG-O 3.21Å; Q359-Y384 HydrophobicContact CB-CD1 4.1Å; Q359-Y384 HydrophobicContact CB-CD2 4.47Å; Q359-Y384 HydrophobicContact CB-CE1 3.73Å; Q359-Y384 HydrophobicContact CB-CE2 4.1Å; Q359-Y384 HydrophobicContact CB-CG 4.46Å; Q359-Y384 HydrophobicContact CG-CD2 4.37Å; Q359-Y384 HydrophobicContact CG-CE1 4.46Å; Q359-Y384 HydrophobicContact CG-CE2 3.93Å; Q359-Y384 PolarHBondContact OE1-OH 3.35Å
360Y73.3Confident64Low107 Ų10788.6 Ų88.642%0.4247%0.471SS..  trans-77.4123.2170.6-156.9-95.1000109V362 E383Y360-V362 HydrophobicContact CD1-CG2 4.04Å; Y360-V362 HydrophobicContact CE1-CG2 3.96Å; Y360-E383 PolarHBondContact N-O 2.87Å
361S58.9Low61.1Low69 Ų6998.1 Ų98.148%0.48351%0.513SS..  trans-109.1116.7167.456.60000107.5Q363S361-Q363 PolarHBondContact O-N 3.45Å
362V43.7Very low58.7Low77 Ų77105.4 Ų105.447%0.46755%0.545SS..  trans-70.976.8164.3-172.80000106.8Y360 A377Y360-V362 HydrophobicContact CD1-CG2 4.04Å; Y360-V362 HydrophobicContact CE1-CG2 3.96Å; V362-A377 HydrophobicContact CG2-CB 3.7Å
363Q42Very low56Low164 Ų164109.2 Ų109.277%0.76655%0.553SS**  trans-111129.4169.2-80-175.8-14.200108.7S361S361-Q363 PolarHBondContact O-N 3.45Å
364Q37.7Very low53.2Low168 Ų168109.9 Ų109.979%0.78557%0.569SS**  trans-57.9137.1-176.9-66.4164.6-11.700110.8
365S29.5Very low50.8Low105 Ų105116.1 Ų116.173%0.73461%0.61SS**  trans46.186.416062.90000117.4
366D33.8Very low48Very low168 Ų168118.9 Ų118.990%0.89864%0.635SS**  trans-126.6105.5132.3-88.5-32.4000106.6I368D366-I368 PolarHBondContact O-N 2.72Å
367G33.2Very low45.4Very low71 Ų71119.9 Ų119.973%0.73264%0.644SS**  trans-58126.8-176.700000110.5
368I31.7Very low42.7Very low170 Ų170126.7 Ų126.787%0.87268%0.677SS**  trans131.176.3163.8-62.6151.2000110.1D366D366-I368 PolarHBondContact O-N 2.72Å
369S31.8Very low40.2Very low111 Ų111128.7 Ų128.778%0.77669%0.693SS**  179.399.7129.357.80000108.7F371S369-F371 PolarHBondContact O-N 2.75Å
370I31.9Very low38.6Very low157 Ų157129.4 Ų129.481%0.80571%0.711SS**  trans-87.983178.4-54164000107.4
371F29.9Very low37.8Very low201 Ų201125.4 Ų125.488%0.88270%0.703SS**  trans-148.7117.2159.5-78.4-72.4000109.8S369S369-F371 PolarHBondContact O-N 2.75Å
372E32Very low38.5Very low181 Ų181123 Ų12385%0.84668%0.684SS**  trans69.289.2162.2-60.4179.8178.700117.9
373R28.6Very low40.4Very low233 Ų233122.7 Ų122.788%0.87968%0.677SS**  trans-71.9117.4158.3-77.6-179.8174-179.4-3109.4
374S32.7Very low42.5Very low91 Ų91115.1 Ų115.164%0.63664%0.642SS**  trans-75.9128.7156.4-172.40000109.1A376S374-A376 VanDerWaalsContact C-N 3.32Å; S374-A376 PolarHBondContact O-N 3.27Å; S374-A376 VanDerWaalsContact O-N 3.09Å
375P38.8Very low44.9Very low133 Ų133111.5 Ų111.586%0.86463%0.628SS**THydrogen-bonded Turntrans-76.119.2-167.7-17.631.6000118.7
376A36.4Very low47.8Very low72 Ų72110.8 Ų110.860%0.59562%0.615SS**THydrogen-bonded Turntrans-130.95.9-166.900000117.7S374 E378S374-A376 VanDerWaalsContact C-N 3.32Å; S374-A376 PolarHBondContact O-N 3.27Å; S374-A376 VanDerWaalsContact O-N 3.09Å; A376-E378 PolarHBondContact O-N 3.5Å
377A38.1Very low50.5Low33 Ų33107.1 Ų107.127%0.27360%0.599SS.*  trans-83.998-178.500000111.6V362V362-A377 HydrophobicContact CG2-CB 3.7Å
378E35.9Very low53.2Low170 Ų170108.2 Ų108.279%0.79458%0.581SS**  trans-55.4151.7162.6-68.7-179.516600110.6A376 G380 G381A376-E378 PolarHBondContact O-N 3.5Å; E378-G380 PolarHBondContact O-N 2.75Å; E378-G381 PolarHBondContact O-N 3.34Å
379E39.2Very low56.1Low179 Ų179102.6 Ų102.684%0.83656%0.555SS**THydrogen-bonded Turntrans-52.3107.8176-70.2-178.5159.100110.1
380G50.6Low58.8Low57 Ų5797.9 Ų97.959%0.58852%0.521SS*.THydrogen-bonded Turntrans106.210.4-176.800000116.3E378 M382E378-G380 PolarHBondContact O-N 2.75Å; G380-M382 PolarHBondContact O-N 3.46Å
381G57.5Low61.4Low24 Ų2498.1 Ų98.125%0.24752%0.518CS..  trans-51.4123.4174.900000113.8E378 E383E378-G381 PolarHBondContact O-N 3.34Å; G381-E383 PolarHBondContact O-N 3.19Å
382M74.2Confident64Low17 Ų1792.4 Ų92.48%0.08449%0.493CS..  trans-86.844.5176.8-161.6-170.4-152.100111.5L307 V319 H321 Y328 G380 Y384L307-M382 HydrophobicContact CD2-CE 3.41Å; L307-M382 VanDerWaalsContact CD2-CE 3.41Å; V319-M382 HydrophobicContact CB-CE 4.12Å; V319-M382 HydrophobicContact CB-SD 4.34Å; V319-M382 HydrophobicContact CG1-CE 3.29Å; V319-M382 HydrophobicContact CG1-SD 4.1Å; H321-M382 HydrophobicContact CB-CE 3.87Å; H321-M382 HydrophobicContact CB-SD 4.44Å; Y328-M382 WeakPolarHBondContact CB-O 3.07Å; Y328-M382 WeakPolarHBondContact CD2-O 3.28Å; G380-M382 PolarHBondContact O-N 3.46Å; M382-Y384 HydrophobicContact CG-CE2 4.16Å
383E81.7Confident66.5Low71 Ų7189.4 Ų89.433%0.33248%0.483SS..  trans-88.8144.8-175.2-60.7-169.7155.100111.8Y328 Q359 Y360 G381Y328-E383 HydrophobicContact CE2-CB 4.18Å; Y328-E383 HydrophobicContact CE2-CG 4.06Å; Q359-E383 CarbonylContact C-O 3.53Å; Q359-E383 VanDerWaalsContact CA-O 3.24Å; Q359-E383 WeakPolarHBondContact CA-O 3.24Å; Q359-E383 WeakPolarHBondContact CG-O 3.21Å; Y360-E383 PolarHBondContact N-O 2.87Å; G381-E383 PolarHBondContact O-N 3.19Å
384Y87.8Confident69.1Low5 Ų579.2 Ų79.22%0.0245%0.446CS..EExtended strand (participates in β ladder)trans-128.1124.2-178-79-101.2000111.3V319 Y328 I330 L346 R358 Q359 M382V319-Y384 HydrophobicContact CB-CE2 4.1Å; V319-Y384 HydrophobicContact CG1-CE2 3.74Å; V319-Y384 HydrophobicContact CG2-CD2 4.3Å; V319-Y384 HydrophobicContact CG2-CE2 3.98Å; Y328-Y384 AromaticContact CD1-CD2 3.86Å; Y328-Y384 HydrophobicContact CD1-CD2 3.86Å; Y328-Y384 HydrophobicContact CD1-CG 4.48Å; Y328-Y384 HydrophobicContact CE1-CD2 4.27Å; Y328-Y384 HydrophobicContact CG-CD2 4.45Å; Y328-Y384 PolarHBondContact OH-O 3.44Å; I330-Y384 HydrophobicContact CD1-CG 4.46Å; L346-Y384 HydrophobicContact CB-CD1 4Å; L346-Y384 HydrophobicContact CB-CE1 3.74Å; L346-Y384 HydrophobicContact CD2-CD1 4.23Å; L346-Y384 HydrophobicContact CD2-CE1 4.32Å; R358-Y384 WeakPolarHBondContact O-CA 3.29Å; Q359-Y384 HydrophobicContact CB-CD1 4.1Å; Q359-Y384 HydrophobicContact CB-CD2 4.47Å; Q359-Y384 HydrophobicContact CB-CE1 3.73Å; Q359-Y384 HydrophobicContact CB-CE2 4.1Å; Q359-Y384 HydrophobicContact CB-CG 4.46Å; Q359-Y384 HydrophobicContact CG-CD2 4.37Å; Q359-Y384 HydrophobicContact CG-CE1 4.46Å; Q359-Y384 HydrophobicContact CG-CE2 3.93Å; Q359-Y384 PolarHBondContact OE1-OH 3.35Å; M382-Y384 HydrophobicContact CG-CE2 4.16Å
385D88.2Confident71.6Confident92 Ų9278.8 Ų78.849%0.49244%0.443SS..EExtended strand (participates in β ladder)trans-98.9141.4175.1-70.8-35.8000111.6Y357 R358 V387Y357-D385 CarbonylContact C-O 3.51Å; Y357-D385 WeakPolarHBondContact CA-O 3.41Å; R358-D385 PolarHBondContact N-O 3.41Å; R358-D385 PolarHBondContact O-N 3.06Å; D385-V387 PolarHBondContact O-N 3.44Å
386L90.1Very high74Confident90 Ų9073.5 Ų73.547%0.47141%0.409SS..EExtended strand (participates in β ladder)trans-71.4109171.3178.965.8000109L355 Y357L355-L386 HydrophobicContact CB-CD1 3.81Å; L355-L386 HydrophobicContact CD2-CD1 4.06Å; L355-L386 HydrophobicContact CG-CD1 4.39Å; Y357-L386 HydrophobicContact CD1-CB 4.1Å; Y357-L386 HydrophobicContact CD2-CD1 4.46Å; Y357-L386 HydrophobicContact CE1-CB 3.74Å; Y357-L386 HydrophobicContact CE1-CD1 4.15Å; Y357-L386 HydrophobicContact CE2-CD1 4.11Å
387V89.5Confident76.5Confident92 Ų9273.2 Ų73.256%0.55840%0.397SS*.EExtended strand (participates in β ladder)trans-85.7-40.6178.9178.60000111.1L356 R358 D385L356-V387 PolarHBondContact O-N 2.82Å; R358-V387 HydrophobicContact CB-CG2 3.45Å; R358-V387 VanDerWaalsContact CB-CG2 3.45Å; D385-V387 PolarHBondContact O-N 3.44Å
388R90.3Very high79.1Confident93 Ų9373.9 Ų73.935%0.35140%0.396SS..EExtended strand (participates in β ladder)trans-158.4149.9-173.5-167.4169.2-86.5162.7-7.4113.2L356 L419 F420L356-R388 HydrophobicContact CB-CB 4.42Å; L356-R388 PolarHBondContact N-O 3.24Å; L356-R388 PolarHBondContact O-N 3.47Å; R388-L419 WeakPolarHBondContact CD-O 3.38Å; R388-L419 PolarHBondContact NH1-O 2.91Å; R388-F420 VanDerWaalsContact NH1-CG 3.3Å
389T92.9Very high81.9Confident52 Ų5266.5 Ų66.532%0.31936%0.362SS..EExtended strand (participates in β ladder)trans-114126.6170-59.10000109.2R353 M354 L355 E391R353-T389 HydrophobicContact CB-CG2 4.16Å; R353-T389 HydrophobicContact CG-CG2 4.44Å; M354-T389 CarbonylContact O-C 3.53Å; M354-T389 WeakPolarHBondContact O-CA 3.34Å; L355-T389 HydrophobicContact CD2-CG2 3.86Å; L355-T389 WeakPolarHBondContact CD2-OG1 3.36Å; T389-E391 HydrophobicContact CG2-CG 4.12Å
390I89Confident84.6Confident13 Ų1358.4 Ų58.47%0.06733%0.325CS..EExtended strand (participates in β ladder)trans-105.1108.3173.7-67.7166.2000108.1R353 M354 L356 K392R353-I390 CarbonylContact C-O 3.58Å; R353-I390 VanDerWaalsContact CA-O 3.24Å; R353-I390 WeakPolarHBondContact CA-O 3.33Å; M354-I390 HydrophobicContact CB-CB 4.42Å; M354-I390 HydrophobicContact CE-CB 4.2Å; M354-I390 HydrophobicContact CE-CD1 3.37Å; M354-I390 HydrophobicContact CE-CG1 4.29Å; M354-I390 PolarHBondContact N-O 3.12Å; M354-I390 PolarHBondContact O-N 2.9Å; L356-I390 HydrophobicContact CD1-CD1 3.72Å; L356-I390 HydrophobicContact CG-CD1 4.46Å; I390-K392 VanDerWaalsContact C-N 3.31Å; I390-K392 HydrophobicContact CG2-CB 4.21Å; I390-K392 HydrophobicContact CG2-CD 4.44Å; I390-K392 HydrophobicContact CG2-CG 4.08Å; I390-K392 PolarHBondContact O-N 3.07Å; I390-K392 VanDerWaalsContact O-N 3.1Å
391E86.5Confident86.7Confident161 Ų16155.8 Ų55.875%0.75230%0.297SS*.  trans-85.768.5-179.2-61.7-175.8166.800111.1T389T389-E391 HydrophobicContact CG2-CG 4.12Å
392K84.6Confident88.4Confident82 Ų8254.7 Ų54.736%0.35729%0.285SS..  trans-128.9133.1173.9-68.2-167.6170.4-173.50110.3R349 Q352 I390 I394 Y417 G421R349-K392 PolarHBondContact NH1-O 3.32Å; R349-K392 PolarHBondContact NH2-O 3.34Å; Q352-K392 CarbonylContact O-C 3.58Å; Q352-K392 VanDerWaalsContact O-C 3.32Å; Q352-K392 PolarHBondContact O-N 3.29Å; I390-K392 VanDerWaalsContact C-N 3.31Å; I390-K392 HydrophobicContact CG2-CB 4.21Å; I390-K392 HydrophobicContact CG2-CD 4.44Å; I390-K392 HydrophobicContact CG2-CG 4.08Å; I390-K392 PolarHBondContact O-N 3.07Å; I390-K392 VanDerWaalsContact O-N 3.1Å; K392-I394 HydrophobicContact CB-CD1 3.9Å; K392-I394 HydrophobicContact CB-CG1 4.03Å; K392-I394 HydrophobicContact CD-CD1 4.28Å; K392-I394 PolarHBondContact O-N 2.81Å; K392-Y417 HydrophobicContact CD-CE1 4.15Å; K392-G421 VanDerWaalsContact CE-O 3.24Å; K392-G421 WeakPolarHBondContact CE-O 3.36Å; K392-G421 PolarHBondContact NZ-O 2.98Å
393D83.3Confident89.3Confident118 Ų11854.6 Ų54.663%0.63129%0.286SS*.  trans-88.790.4171.2-165.99000110.8R349R349-D393 IonicContact NH2-OD1 3.77Å; R349-D393 PolarHBondContact NH2-OD1 3.14Å; R349-D393 VanDerWaalsContact NH2-OD1 3.16Å
394I83.7Confident89.8Confident19 Ų1956.1 Ų56.110%0.09729%0.294CS..  trans-113.7120.4176.8-55.2164.1000108.2R349 K392 F408 Y417R349-I394 PolarHBondContact NE-O 3.28Å; R349-I394 PolarHBondContact NH2-O 2.84Å; K392-I394 HydrophobicContact CB-CD1 3.9Å; K392-I394 HydrophobicContact CB-CG1 4.03Å; K392-I394 HydrophobicContact CD-CD1 4.28Å; K392-I394 PolarHBondContact O-N 2.81Å; I394-F408 HydrophobicContact CB-CD1 4.25Å; I394-F408 HydrophobicContact CB-CE1 4.44Å; I394-F408 HydrophobicContact CB-CG 4.46Å; I394-F408 HydrophobicContact CD1-CD2 4.24Å; I394-F408 HydrophobicContact CD1-CE2 4.03Å; I394-F408 HydrophobicContact CD1-CZ 4.27Å; I394-F408 HydrophobicContact CG2-CB 3.88Å; I394-F408 HydrophobicContact CG2-CD1 3.93Å; I394-F408 HydrophobicContact CG2-CD2 4.34Å; I394-F408 HydrophobicContact CG2-CG 3.79Å; I394-Y417 HydrophobicContact CD1-CD1 4.46Å; I394-Y417 HydrophobicContact CD1-CD2 4.38Å; I394-Y417 HydrophobicContact CD1-CE1 3.84Å; I394-Y417 HydrophobicContact CD1-CE2 3.74Å; I394-Y417 VanDerWaalsContact CD1-CZ 3.45Å
395S85Confident90.1Very high82 Ų8256.4 Ų56.457%0.57330%0.295SS*.  trans-73.5139.4171.649.40000110.3
396C89.2Confident90.4Very high21 Ų2152 Ų5214%0.14227%0.272CS..  trans-150.7138.5174.956.70000111.7F408 C409 Q410C396-F408 HydrophobicContact CB-CB 4.11Å; C396-F408 HydrophobicContact CB-CD1 4.01Å; C396-C409 CarbonylContact C-O 3.5Å; C396-C409 WeakPolarHBondContact CA-O 3.49Å; C396-Q410 VanDerWaalsContact C-OE1 3.22Å; C396-Q410 VanDerWaalsContact N-OE1 3.16Å
397N90Very high90.6Very high67 Ų6747.8 Ų47.836%0.35825%0.249SC..SBendtrans-80.7-39.4169-65.6-13.3000110.6K338 C409 Q410 E411K338-N397 WeakPolarHBondContact CE-O 3.34Å; K338-N397 PolarHBondContact NZ-O 3.38Å; N397-C409 PolarHBondContact N-O 3.29Å; N397-Q410 PolarHBondContact OD1-NE2 3.39Å; N397-Q410 VanDerWaalsContact OD1-NE2 3.16Å; N397-Q410 PolarHBondContact OD1-OE1 3.05Å; N397-E411 PolarHBondContact ND2-N 3.33Å; N397-E411 VanDerWaalsContact ND2-N 3.19Å
398L92.8Very high90.8Very high46 Ų4643.7 Ų43.724%0.24122%0.224CC..EExtended strand (participates in β ladder)trans-130.2143.3178.8-52.2163.8000109.6C409 V433 I436L398-C409 HydrophobicContact CB-CB 3.9Å; L398-C409 PolarHBondContact N-O 3.05Å; L398-C409 VanDerWaalsContact N-O 3.12Å; L398-C409 WeakPolarHBondContact O-CB 3.28Å; L398-C409 PolarHBondContact O-N 3.43Å; L398-V433 HydrophobicContact CD1-CG1 3.93Å; L398-I436 HydrophobicContact CB-CG2 3.77Å; L398-I436 HydrophobicContact CD1-CB 4.47Å; L398-I436 HydrophobicContact CD1-CG2 3.72Å; L398-I436 HydrophobicContact CG-CG2 4.28Å
399L94.3Very high91Very high16 Ų1639.3 Ų39.38%0.08421%0.208CC..EExtended strand (participates in β ladder)trans-126.1125.3-178.2179.670.1000109K338 S340 A347 R349 V406 F408K338-L399 HydrophobicContact CB-CB 3.93Å; K338-L399 HydrophobicContact CB-CD2 3.94Å; K338-L399 HydrophobicContact CG-CB 4.48Å; S340-L399 WeakPolarHBondContact CB-O 3.27Å; S340-L399 PolarHBondContact OG-O 3.34Å; A347-L399 HydrophobicContact CB-CD2 4.43Å; R349-L399 HydrophobicContact CB-CD2 3.98Å; L399-V406 HydrophobicContact CD1-CG1 3.63Å; L399-F408 HydrophobicContact CD1-CD1 3.85Å; L399-F408 HydrophobicContact CD1-CE1 3.72Å; L399-F408 HydrophobicContact CD1-CZ 4.31Å
400V94.5Very high91.1Very high9 Ų939.4 Ų39.46%0.05521%0.205CC..EExtended strand (participates in β ladder)trans-126.6126.3-178-175.50000109.9S340 V406 I407 I436 V438 L448S340-V400 WeakPolarHBondContact OG-CA 3.32Å; V400-V406 WeakPolarHBondContact O-CA 3.46Å; V400-I407 HydrophobicContact CB-CB 4.19Å; V400-I407 HydrophobicContact CB-CD1 3.94Å; V400-I407 HydrophobicContact CG1-CD1 3.9Å; V400-I407 PolarHBondContact N-O 3.18Å; V400-I407 PolarHBondContact O-N 3.44Å; V400-I436 HydrophobicContact CG2-CB 4.29Å; V400-I436 HydrophobicContact CG2-CD1 3.87Å; V400-I436 HydrophobicContact CG2-CG1 3.87Å; V400-I436 HydrophobicContact CG2-CG2 3.47Å; V400-I436 VanDerWaalsContact CG2-CG2 3.47Å; V400-V438 HydrophobicContact CG1-CG2 3.15Å; V400-L448 HydrophobicContact CG1-CD2 4.2Å
401L95.3Very high91.3Very high2 Ų243.7 Ų43.71%0.0122%0.224CC..EExtended strand (participates in β ladder)trans-100.8134.8175.7-175.661.5000110S340 Y342 K345 A347 L356 V406 L419 V438S340-L401 PolarHBondContact OG-N 3.19Å; Y342-L401 WeakPolarHBondContact CB-O 3.43Å; K345-L401 HydrophobicContact CB-CD2 3.74Å; K345-L401 WeakPolarHBondContact O-CD2 3.48Å; A347-L401 HydrophobicContact CB-CB 4.49Å; A347-L401 HydrophobicContact CB-CD1 4.16Å; A347-L401 HydrophobicContact CB-CD2 4.01Å; A347-L401 HydrophobicContact CB-CG 4.47Å; L356-L401 HydrophobicContact CD2-CD1 4.39Å; L401-V406 HydrophobicContact CD1-CG2 3.72Å; L401-L419 HydrophobicContact CD1-CD2 4.24Å; L401-V438 WeakPolarHBondContact O-CG2 3.26Å
402C94.6Very high91.7Very high0 Ų042 Ų420%021%0.211CC..  trans-120.4-178.1172.9-61.30000109.4Y342 Q404 H405 L462Y342-C402 VanDerWaalsContact CD1-C 3.46Å; C402-Q404 PolarHBondContact O-N 3.43Å; C402-H405 WeakPolarHBondContact CA-O 3.32Å; C402-H405 HydrophobicContact CB-CB 4.26Å; C402-H405 WeakPolarHBondContact CB-O 3.45Å; C402-H405 PolarHBondContact N-O 3.38Å; C402-L462 HydrophobicContact CB-CD1 3.93Å
403S92Very high92.2Very high15 Ų1540.9 Ų40.911%0.10521%0.209CC..SBendtrans-65.4-37.8-177.863.50000113.3K345 A443 G444 E446K345-S403 PolarHBondContact NZ-O 2.94Å; S403-A443 WeakPolarHBondContact OG-CA 3.47Å; S403-A443 WeakPolarHBondContact OG-CB 3.38Å; S403-G444 PolarHBondContact OG-N 3.12Å; S403-E446 WeakPolarHBondContact CA-OE1 3.2Å; S403-E446 WeakPolarHBondContact CB-OE1 3.33Å; S403-E446 PolarHBondContact N-OE1 3.5Å; S403-E446 PolarHBondContact OG-OE1 2.95Å; S403-E446 PolarHBondContact OG-OE2 2.92Å
404Q92.4Very high92.8Very high104 Ų10435.3 Ų35.349%0.48618%0.179SC..SBendtrans-123-2.8-177.8-64.5-175.7-4.500113.4C402 N418 L419C402-Q404 PolarHBondContact O-N 3.43Å; Q404-N418 WeakPolarHBondContact O-CA 3.26Å; Q404-L419 WeakPolarHBondContact O-CG 3.46Å; Q404-L419 PolarHBondContact O-N 3.17Å; Q404-L419 VanDerWaalsContact O-N 3.15Å
405H94.5Very high93.3Very high11 Ų1136.5 Ų36.55%0.05118%0.184CC..EExtended strand (participates in β ladder)trans-134.9154.4-171.4-5989.4000112.6C402 C416 Y417 E424 L462C402-H405 WeakPolarHBondContact CA-O 3.32Å; C402-H405 HydrophobicContact CB-CB 4.26Å; C402-H405 WeakPolarHBondContact CB-O 3.45Å; C402-H405 PolarHBondContact N-O 3.38Å; H405-C416 PolarHBondContact CD2-SG 2.98Å; H405-Y417 CarbonylContact C-O 3.5Å; H405-Y417 WeakPolarHBondContact CA-O 3.28Å; H405-Y417 WeakPolarHBondContact CB-O 3.44Å; H405-E424 IonicContact CD2-OE2 3.54Å; H405-E424 PolarHBondContact CD2-OE2 3.07Å; H405-E424 IonicContact CE1-OE2 2.71Å; H405-E424 IonicContact NE2-OE2 3.07Å; H405-E424 PolarHBondContact NE2-OE2 2.86Å; H405-L462 HydrophobicContact CB-CD1 4.21Å
406V93.9Very high93.8Very high0 Ų032.7 Ų32.70%016%0.158CC..EExtended strand (participates in β ladder)trans-123.5128.6167.9-171.20000107.7M354 L356 L399 V400 L401 F408 Y417 L419M354-V406 HydrophobicContact CE-CB 4.25Å; M354-V406 HydrophobicContact CE-CG1 4.15Å; M354-V406 HydrophobicContact CE-CG2 3.86Å; M354-V406 HydrophobicContact SD-CG1 3.84Å; M354-V406 HydrophobicContact SD-CG2 4.43Å; L356-V406 HydrophobicContact CD2-CG2 4.21Å; L399-V406 HydrophobicContact CD1-CG1 3.63Å; V400-V406 WeakPolarHBondContact O-CA 3.46Å; L401-V406 HydrophobicContact CD1-CG2 3.72Å; V406-F408 HydrophobicContact CB-CE2 4.24Å; V406-F408 HydrophobicContact CG1-CD2 4.5Å; V406-F408 HydrophobicContact CG1-CE2 3.92Å; V406-F408 HydrophobicContact CG1-CZ 3.99Å; V406-Y417 PolarHBondContact N-O 3.36Å; V406-Y417 PolarHBondContact O-N 3.39Å; V406-L419 HydrophobicContact CG2-CD2 3.8Å
407I94.8Very high94Very high0 Ų032.8 Ų32.80%016%0.155CC..EExtended strand (participates in β ladder)trans-107.4125.8179.4-52.9132.7000108.7V400 L414 Q415 L448 L462V400-I407 HydrophobicContact CB-CB 4.19Å; V400-I407 HydrophobicContact CB-CD1 3.94Å; V400-I407 HydrophobicContact CG1-CD1 3.9Å; V400-I407 PolarHBondContact N-O 3.18Å; V400-I407 PolarHBondContact O-N 3.44Å; I407-L414 HydrophobicContact CG2-CB 4.39Å; I407-L414 HydrophobicContact CG2-CD2 3.96Å; I407-Q415 VanDerWaalsContact CA-O 3.3Å; I407-Q415 WeakPolarHBondContact CA-O 3.49Å; I407-L448 HydrophobicContact CD1-CD1 3.43Å; I407-L448 VanDerWaalsContact CD1-CD1 3.43Å; I407-L448 HydrophobicContact CD1-CD2 3.54Å; I407-L448 HydrophobicContact CD1-CG 4.09Å; I407-L448 HydrophobicContact CG1-CD1 4.21Å; I407-L462 HydrophobicContact CD1-CD2 4.03Å; I407-L462 HydrophobicContact CG1-CD2 4.17Å
408F94.4Very high94.1Very high7 Ų730.4 Ų30.43%0.03114%0.143CC..EExtended strand (participates in β ladder)trans-101.6118.1171.9-62.4-89.8000108.2M354 I394 C396 L399 V406 Q415 Y417M354-F408 HydrophobicContact CE-CZ 4.01Å; M354-F408 HydrophobicContact SD-CE1 4.17Å; M354-F408 HydrophobicContact SD-CZ 3.63Å; I394-F408 HydrophobicContact CB-CD1 4.25Å; I394-F408 HydrophobicContact CB-CE1 4.44Å; I394-F408 HydrophobicContact CB-CG 4.46Å; I394-F408 HydrophobicContact CD1-CD2 4.24Å; I394-F408 HydrophobicContact CD1-CE2 4.03Å; I394-F408 HydrophobicContact CD1-CZ 4.27Å; I394-F408 HydrophobicContact CG2-CB 3.88Å; I394-F408 HydrophobicContact CG2-CD1 3.93Å; I394-F408 HydrophobicContact CG2-CD2 4.34Å; I394-F408 HydrophobicContact CG2-CG 3.79Å; C396-F408 HydrophobicContact CB-CB 4.11Å; C396-F408 HydrophobicContact CB-CD1 4.01Å; L399-F408 HydrophobicContact CD1-CD1 3.85Å; L399-F408 HydrophobicContact CD1-CE1 3.72Å; L399-F408 HydrophobicContact CD1-CZ 4.31Å; V406-F408 HydrophobicContact CB-CE2 4.24Å; V406-F408 HydrophobicContact CG1-CD2 4.5Å; V406-F408 HydrophobicContact CG1-CE2 3.92Å; V406-F408 HydrophobicContact CG1-CZ 3.99Å; F408-Q415 PolarHBondContact N-O 3.26Å; F408-Q415 PolarHBondContact O-N 2.92Å; F408-Y417 AromaticContact CD2-CD2 3.56Å; F408-Y417 HydrophobicContact CD2-CD2 3.56Å; F408-Y417 AromaticContact CD2-CE2 3.97Å; F408-Y417 HydrophobicContact CD2-CE2 3.97Å; F408-Y417 HydrophobicContact CD2-CG 4.35Å; F408-Y417 AromaticContact CE2-CD2 3.82Å; F408-Y417 HydrophobicContact CE2-CD2 3.82Å; F408-Y417 HydrophobicContact CE2-CE2 4.4Å; F408-Y417 HydrophobicContact CE2-CG 4.16Å
409C94.4Very high94Very high1 Ų129.6 Ų29.61%0.00714%0.138CC..EExtended strand (participates in β ladder)trans-105.9118.1177.1-173.90000109.5C396 N397 L398 D413 L414 V433C396-C409 CarbonylContact C-O 3.5Å; C396-C409 WeakPolarHBondContact CA-O 3.49Å; N397-C409 PolarHBondContact N-O 3.29Å; L398-C409 HydrophobicContact CB-CB 3.9Å; L398-C409 PolarHBondContact N-O 3.05Å; L398-C409 VanDerWaalsContact N-O 3.12Å; L398-C409 WeakPolarHBondContact O-CB 3.28Å; L398-C409 PolarHBondContact O-N 3.43Å; C409-D413 CarbonylContact C-O 3.57Å; C409-D413 WeakPolarHBondContact CA-O 3.28Å; C409-L414 HydrophobicContact CB-CD2 3.66Å; C409-L414 VanDerWaalsContact SG-CD2 3.52Å; C409-V433 VanDerWaalsContact SG-CB 3.51Å
410Q94.1Very high93.8Very high54 Ų5435.6 Ų35.625%0.25216%0.164SC..EExtended strand (participates in β ladder)trans-122.9108174.7-174.162.430.900108.6C396 N397 R412 D413C396-Q410 VanDerWaalsContact C-OE1 3.22Å; C396-Q410 VanDerWaalsContact N-OE1 3.16Å; N397-Q410 PolarHBondContact OD1-NE2 3.39Å; N397-Q410 VanDerWaalsContact OD1-NE2 3.16Å; N397-Q410 PolarHBondContact OD1-OE1 3.05Å; Q410-R412 PolarHBondContact O-N 3.35Å; Q410-D413 PolarHBondContact N-O 2.9Å; Q410-D413 PolarHBondContact O-N 3.22Å
411E93.9Very high93.4Very high103 Ų10335.3 Ų35.348%0.48116%0.163SC..THydrogen-bonded Turntrans52.5-98.2-175.3-59178.6-175.300113.2N397 V433N397-E411 PolarHBondContact ND2-N 3.33Å; N397-E411 VanDerWaalsContact ND2-N 3.19Å; E411-V433 PolarHBondContact O-N 2.92Å
412R95.1Very high93.3Very high126 Ų12640.4 Ų40.448%0.47519%0.189SC..THydrogen-bonded Turntrans-96.2-20.3179.8-69.2-174.2-84.4-171.6-2.9113Q410 T428 A429 V432Q410-R412 PolarHBondContact O-N 3.35Å; R412-T428 HydrophobicContact CB-CG2 4.33Å; R412-T428 WeakPolarHBondContact O-CA 3.48Å; R412-A429 PolarHBondContact O-N 3.32Å; R412-V432 HydrophobicContact CG-CG2 4.43Å
413D95.1Very high93.2Very high57 Ų5744.7 Ų44.731%0.30521%0.208SC..EExtended strand (participates in β ladder)trans-93.4127.3-171.8-70.5-45.1000111.7C409 Q410 Q426 T428C409-D413 CarbonylContact C-O 3.57Å; C409-D413 WeakPolarHBondContact CA-O 3.28Å; Q410-D413 PolarHBondContact N-O 2.9Å; Q410-D413 PolarHBondContact O-N 3.22Å; D413-Q426 PolarHBondContact OD1-NE2 3.38Å; D413-T428 WeakPolarHBondContact OD1-CB 3.33Å; D413-T428 WeakPolarHBondContact OD1-CG2 3.39Å; D413-T428 PolarHBondContact OD1-OG1 3.5Å
414L95.1Very high93.2Very high1 Ų148.9 Ų48.91%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-112.4110.9175.2-70.1157.6000108.3I407 C409 Q426 W427 V433 I436 I460I407-L414 HydrophobicContact CG2-CB 4.39Å; I407-L414 HydrophobicContact CG2-CD2 3.96Å; C409-L414 HydrophobicContact CB-CD2 3.66Å; C409-L414 VanDerWaalsContact SG-CD2 3.52Å; L414-Q426 CarbonylContact O-C 3.48Å; L414-Q426 WeakPolarHBondContact O-CA 3.48Å; L414-W427 HydrophobicContact CB-CB 4.26Å; L414-W427 HydrophobicContact CB-CE3 3.99Å; L414-W427 HydrophobicContact CD1-CB 4.42Å; L414-W427 PolarHBondContact N-O 3.25Å; L414-W427 PolarHBondContact O-N 3.44Å; L414-V433 HydrophobicContact CD1-CG2 4.41Å; L414-V433 HydrophobicContact CG-CG2 4.47Å; L414-I436 HydrophobicContact CD2-CD1 3.57Å; L414-I460 HydrophobicContact CD1-CD1 3.68Å
415Q94.3Very high93.2Very high45 Ų4548.2 Ų48.221%0.2122%0.219CC..EExtended strand (participates in β ladder)trans-106.2120.1179-56.6-174.8-3.400110.7I407 F408 Y417 Q426I407-Q415 VanDerWaalsContact CA-O 3.3Å; I407-Q415 WeakPolarHBondContact CA-O 3.49Å; F408-Q415 PolarHBondContact N-O 3.26Å; F408-Q415 PolarHBondContact O-N 2.92Å; Q415-Y417 HydrophobicContact CB-CD2 4.22Å; Q415-Y417 HydrophobicContact CB-CE2 3.69Å; Q415-Y417 PolarHBondContact OE1-OH 2.94Å; Q415-Q426 HydrophobicContact CG-CG 4.24Å
416C94.5Very high93.2Very high2 Ų251.8 Ų51.81%0.01424%0.236CC..EExtended strand (participates in β ladder)trans-94.5120.2178-171.60000110.6H405 E424 R425 W427H405-C416 PolarHBondContact CD2-SG 2.98Å; C416-E424 PolarHBondContact O-N 3.37Å; C416-R425 HydrophobicContact CB-CB 3.98Å; C416-R425 PolarHBondContact N-O 2.93Å; C416-R425 PolarHBondContact O-N 3.29Å; C416-W427 HydrophobicContact CB-CH2 3.93Å; C416-W427 HydrophobicContact CB-CZ3 3.67Å
417Y94Very high93.3Very high22 Ų2252.2 Ų52.29%0.08624%0.237CC..EExtended strand (participates in β ladder)trans-114.5145.3174.2-73.8-104.2000109.7K392 I394 H405 V406 F408 Q415 G421 L422 K423K392-Y417 HydrophobicContact CD-CE1 4.15Å; I394-Y417 HydrophobicContact CD1-CD1 4.46Å; I394-Y417 HydrophobicContact CD1-CD2 4.38Å; I394-Y417 HydrophobicContact CD1-CE1 3.84Å; I394-Y417 HydrophobicContact CD1-CE2 3.74Å; I394-Y417 VanDerWaalsContact CD1-CZ 3.45Å; H405-Y417 CarbonylContact C-O 3.5Å; H405-Y417 WeakPolarHBondContact CA-O 3.28Å; H405-Y417 WeakPolarHBondContact CB-O 3.44Å; V406-Y417 PolarHBondContact N-O 3.36Å; V406-Y417 PolarHBondContact O-N 3.39Å; F408-Y417 AromaticContact CD2-CD2 3.56Å; F408-Y417 HydrophobicContact CD2-CD2 3.56Å; F408-Y417 AromaticContact CD2-CE2 3.97Å; F408-Y417 HydrophobicContact CD2-CE2 3.97Å; F408-Y417 HydrophobicContact CD2-CG 4.35Å; F408-Y417 AromaticContact CE2-CD2 3.82Å; F408-Y417 HydrophobicContact CE2-CD2 3.82Å; F408-Y417 HydrophobicContact CE2-CE2 4.4Å; F408-Y417 HydrophobicContact CE2-CG 4.16Å; Q415-Y417 HydrophobicContact CB-CD2 4.22Å; Q415-Y417 HydrophobicContact CB-CE2 3.69Å; Q415-Y417 PolarHBondContact OE1-OH 2.94Å; Y417-G421 WeakPolarHBondContact CD1-O 3.45Å; Y417-L422 CarbonylContact C-O 3.58Å; Y417-L422 WeakPolarHBondContact CA-O 3.48Å; Y417-K423 HydrophobicContact CD1-CB 3.94Å; Y417-K423 HydrophobicContact CE1-CB 3.56Å; Y417-K423 HydrophobicContact CE1-CG 4.26Å; Y417-K423 HydrophobicContact CE2-CB 4.26Å; Y417-K423 HydrophobicContact CE2-CD 4.34Å; Y417-K423 HydrophobicContact CE2-CG 4.07Å; Y417-K423 HydrophobicContact CG-CB 4.45Å
418N92.1Very high93.2Very high18 Ų1856.7 Ų56.710%0.09627%0.265CS..EExtended strand (participates in β ladder)trans-76.2170165.763.126.9000111.8Q404 F420 G421 L422 E424Q404-N418 WeakPolarHBondContact O-CA 3.26Å; N418-F420 PolarHBondContact O-N 3.09Å; N418-F420 WeakPolarHBondContact OD1-CA 3.16Å; N418-F420 WeakPolarHBondContact OD1-CB 3.47Å; N418-F420 PolarHBondContact OD1-N 3.3Å; N418-F420 VanDerWaalsContact OD1-N 3.07Å; N418-G421 PolarHBondContact O-N 3.08Å; N418-G421 PolarHBondContact OD1-N 2.72Å; N418-L422 PolarHBondContact N-O 3.25Å; N418-L422 PolarHBondContact OD1-N 3.48Å; N418-L422 PolarHBondContact OD1-O 3.11Å; N418-E424 HydrophobicContact CB-CG 4.36Å; N418-E424 VanDerWaalsContact CB-OE1 3.29Å; N418-E424 WeakPolarHBondContact CB-OE1 3.33Å; N418-E424 PolarHBondContact ND2-OE1 3.37Å
419L90.3Very high93.2Very high28 Ų2856.8 Ų56.815%0.14727%0.267CS..THydrogen-bonded Turntrans-66.4-0.8177.7-56.2-177.8000114.3K345 L356 R388 L401 Q404 V406K345-L419 HydrophobicContact CD-CD1 4.2Å; L356-L419 HydrophobicContact CD1-CB 4.16Å; L356-L419 HydrophobicContact CD1-CD2 4Å; R388-L419 WeakPolarHBondContact CD-O 3.38Å; R388-L419 PolarHBondContact NH1-O 2.91Å; L401-L419 HydrophobicContact CD1-CD2 4.24Å; Q404-L419 WeakPolarHBondContact O-CG 3.46Å; Q404-L419 PolarHBondContact O-N 3.17Å; Q404-L419 VanDerWaalsContact O-N 3.15Å; V406-L419 HydrophobicContact CG2-CD2 3.8Å
420F89.8Confident93.1Very high142 Ų14263.2 Ų63.262%0.62330%0.297SS*.THydrogen-bonded Turntrans-96.1-2170.9-60-95.9000112R388 N418R388-F420 VanDerWaalsContact NH1-CG 3.3Å; N418-F420 PolarHBondContact O-N 3.09Å; N418-F420 WeakPolarHBondContact OD1-CA 3.16Å; N418-F420 WeakPolarHBondContact OD1-CB 3.47Å; N418-F420 PolarHBondContact OD1-N 3.3Å; N418-F420 VanDerWaalsContact OD1-N 3.07Å
421G87.6Confident93.2Very high3 Ų361.7 Ų61.73%0.03129%0.292CS..SBendtrans80.614.1-178.700000113.8K392 Y417 N418K392-G421 VanDerWaalsContact CE-O 3.24Å; K392-G421 WeakPolarHBondContact CE-O 3.36Å; K392-G421 PolarHBondContact NZ-O 2.98Å; Y417-G421 WeakPolarHBondContact CD1-O 3.45Å; N418-G421 PolarHBondContact O-N 3.08Å; N418-G421 PolarHBondContact OD1-N 2.72Å
422L92.8Very high93.3Very high109 Ų10958.8 Ų58.857%0.57128%0.282SS*.  trans-86.7134.1171-57.6174.3000109.7Y417 N418 E424Y417-L422 CarbonylContact C-O 3.58Å; Y417-L422 WeakPolarHBondContact CA-O 3.48Å; N418-L422 PolarHBondContact N-O 3.25Å; N418-L422 PolarHBondContact OD1-N 3.48Å; N418-L422 PolarHBondContact OD1-O 3.11Å; L422-E424 PolarHBondContact O-N 3.47Å
423K92.1Very high93.3Very high90 Ų9053.1 Ų53.139%0.39126%0.261SS..EExtended strand (participates in β ladder)trans-78.4119.3176.8-172.6177.1175.7176.70108.3Y417Y417-K423 HydrophobicContact CD1-CB 3.94Å; Y417-K423 HydrophobicContact CE1-CB 3.56Å; Y417-K423 HydrophobicContact CE1-CG 4.26Å; Y417-K423 HydrophobicContact CE2-CB 4.26Å; Y417-K423 HydrophobicContact CE2-CD 4.34Å; Y417-K423 HydrophobicContact CE2-CG 4.07Å; Y417-K423 HydrophobicContact CG-CB 4.45Å
424E92.5Very high93.2Very high104 Ų10456.1 Ų56.149%0.48627%0.268SS..EExtended strand (participates in β ladder)trans-99.7-37.4-179.5-66.5-171.117300111.6H405 C416 N418 L422H405-E424 IonicContact CD2-OE2 3.54Å; H405-E424 PolarHBondContact CD2-OE2 3.07Å; H405-E424 IonicContact CE1-OE2 2.71Å; H405-E424 IonicContact NE2-OE2 3.07Å; H405-E424 PolarHBondContact NE2-OE2 2.86Å; C416-E424 PolarHBondContact O-N 3.37Å; N418-E424 HydrophobicContact CB-CG 4.36Å; N418-E424 VanDerWaalsContact CB-OE1 3.29Å; N418-E424 WeakPolarHBondContact CB-OE1 3.33Å; N418-E424 PolarHBondContact ND2-OE1 3.37Å; L422-E424 PolarHBondContact O-N 3.47Å
425R92.9Very high93.1Very high90 Ų9058.9 Ų58.934%0.3428%0.279SS..EExtended strand (participates in β ladder)trans-147.8163.1-176.3-76.8-168.3149.7126-6.2113.4C416 W427 L462 D463C416-R425 HydrophobicContact CB-CB 3.98Å; C416-R425 PolarHBondContact N-O 2.93Å; C416-R425 PolarHBondContact O-N 3.29Å; R425-W427 HydrophobicContact CB-CH2 4.11Å; R425-W427 HydrophobicContact CB-CZ2 4.23Å; R425-L462 PolarHBondContact NH1-O 2.97Å; R425-D463 VanDerWaalsContact CZ-O 3.3Å; R425-D463 PolarHBondContact NH1-O 2.95Å; R425-D463 PolarHBondContact NH2-O 3.19Å
426Q93.5Very high93.2Very high85 Ų8557.7 Ų57.740%0.39727%0.274SS..EExtended strand (participates in β ladder)trans-144.1141.9168.4178174.6-8.300109.9D413 L414 Q415D413-Q426 PolarHBondContact OD1-NE2 3.38Å; L414-Q426 CarbonylContact O-C 3.48Å; L414-Q426 WeakPolarHBondContact O-CA 3.48Å; Q415-Q426 HydrophobicContact CG-CG 4.24Å
427W95.4Very high93.1Very high10 Ų1061.3 Ų61.34%0.03829%0.287CS..EExtended strand (participates in β ladder)trans-121.2145.7167-53.8-91.5000108.8L414 C416 R425 I460 L462 N464 P465 P467L414-W427 HydrophobicContact CB-CB 4.26Å; L414-W427 HydrophobicContact CB-CE3 3.99Å; L414-W427 HydrophobicContact CD1-CB 4.42Å; L414-W427 PolarHBondContact N-O 3.25Å; L414-W427 PolarHBondContact O-N 3.44Å; C416-W427 HydrophobicContact CB-CH2 3.93Å; C416-W427 HydrophobicContact CB-CZ3 3.67Å; R425-W427 HydrophobicContact CB-CH2 4.11Å; R425-W427 HydrophobicContact CB-CZ2 4.23Å; W427-I460 HydrophobicContact CD2-CG2 3.95Å; W427-I460 HydrophobicContact CE3-CG2 4.41Å; W427-I460 HydrophobicContact CG-CG2 4.38Å; W427-I460 HydrophobicContact CH2-CG2 4.31Å; W427-I460 HydrophobicContact CZ2-CG2 3.84Å; W427-L462 HydrophobicContact CH2-CD2 3.87Å; W427-L462 HydrophobicContact CZ3-CD2 4.38Å; W427-N464 PolarHBondContact NE1-O 3.23Å; W427-N464 VanDerWaalsContact NE1-O 3.07Å; W427-P465 PolarHBondContact NE1-O 2.88Å; W427-P467 HydrophobicContact CG-CG 4.46Å
428T94.4Very high93.1Very high93 Ų9361.2 Ų61.257%0.57129%0.289SS*.EExtended strand (participates in β ladder)trans-119.1114172.2-59.60000107.5R412 D413R412-T428 HydrophobicContact CB-CG2 4.33Å; R412-T428 WeakPolarHBondContact O-CA 3.48Å; D413-T428 WeakPolarHBondContact OD1-CB 3.33Å; D413-T428 WeakPolarHBondContact OD1-CG2 3.39Å; D413-T428 PolarHBondContact OD1-OG1 3.5Å
429A93.6Very high93Very high10 Ų1061.9 Ų61.98%0.08329%0.292CS..  trans-74.3153.6177.800000111.2R412 S431 V433 L452R412-A429 PolarHBondContact O-N 3.32Å; A429-S431 WeakPolarHBondContact CB-O 3.46Å; A429-S431 PolarHBondContact O-N 2.91Å; A429-V433 HydrophobicContact CB-CG2 4.16Å; A429-L452 HydrophobicContact CB-CD1 3.87Å; A429-L452 HydrophobicContact CB-CD2 3.74Å
430E92.9Very high92.8Very high135 Ų13561.2 Ų61.263%0.63129%0.292SS*.SBendtrans-64.3-30.4178.9-63.2-175.6-179.600112.5Q456E430-Q456 PolarHBondContact OE2-NE2 3.33Å; E430-Q456 PolarHBondContact OE2-OE1 2.6Å; E430-Q456 VanDerWaalsContact OE2-OE1 3.09Å
431S95Very high92.7Very high23 Ų2356.8 Ų56.816%0.16129%0.286CS..SBendtrans-139.8169-179.7-171.50000111.3A429 V433 N454A429-S431 WeakPolarHBondContact CB-O 3.46Å; A429-S431 PolarHBondContact O-N 2.91Å; S431-V433 PolarHBondContact O-N 3.39Å; S431-N454 VanDerWaalsContact CB-CG 3.45Å; S431-N454 PolarHBondContact OG-N 3.48Å
432V95.5Very high92.8Very high42 Ų4262.6 Ų62.626%0.25532%0.315SS..  trans-59.1130-175.9177.70000110.2R412 R434 L452 Q453R412-V432 HydrophobicContact CG-CG2 4.43Å; V432-R434 PolarHBondContact O-N 3.3Å; V432-L452 WeakPolarHBondContact O-CA 3.13Å; V432-Q453 HydrophobicContact CB-CB 4.34Å; V432-Q453 PolarHBondContact O-N 3.48Å
433V95.8Very high92.6Very high7 Ų759.7 Ų59.74%0.04231%0.307CS..EExtended strand (participates in β ladder)trans-72.1116.8175-179.90000109.1L398 C409 E411 L414 A429 S431 I436 V450 L452L398-V433 HydrophobicContact CD1-CG1 3.93Å; C409-V433 VanDerWaalsContact SG-CB 3.51Å; E411-V433 PolarHBondContact O-N 2.92Å; L414-V433 HydrophobicContact CD1-CG2 4.41Å; L414-V433 HydrophobicContact CG-CG2 4.47Å; A429-V433 HydrophobicContact CB-CG2 4.16Å; S431-V433 PolarHBondContact O-N 3.39Å; V433-I436 HydrophobicContact CG1-CB 4.29Å; V433-V450 HydrophobicContact CB-CG1 4.36Å; V433-V450 HydrophobicContact CG1-CG1 3.62Å; V433-V450 HydrophobicContact CG2-CG1 3.93Å; V433-L452 HydrophobicContact CB-CD2 4.26Å; V433-L452 HydrophobicContact CG2-CD2 3.67Å
434R92.9Very high92.4Very high120 Ų12056 Ų5645%0.45329%0.294SS..EExtended strand (participates in β ladder)trans-96.3-38.1179-71.7-66.4-168.9158.94.1112.4V432 G451 Q453 I477 E494V432-R434 PolarHBondContact O-N 3.3Å; R434-G451 PolarHBondContact N-O 3.44Å; R434-Q453 HydrophobicContact CG-CB 3.98Å; R434-I477 WeakPolarHBondContact CB-O 3.49Å; R434-E494 IonicContact CZ-OE1 3.16Å; R434-E494 IonicContact NE-OE1 3.82Å; R434-E494 IonicContact NH2-OE1 3.45Å
435Y94.2Very high92.5Very high58 Ų5858 Ų5823%0.22730%0.297CS..EExtended strand (participates in β ladder)trans-134.3139.1-178.3-166.3-87.6000110.2R437 V450 G451 C479 L480Y435-R437 HydrophobicContact CE1-CB 3.95Å; Y435-V450 WeakPolarHBondContact O-CA 3.26Å; Y435-G451 PolarHBondContact N-O 2.63Å; Y435-G451 PolarHBondContact O-N 3.02Å; Y435-C479 HydrophobicContact CE2-CB 4.48Å; Y435-L480 HydrophobicContact CD1-CB 3.78Å; Y435-L480 HydrophobicContact CD1-CD1 4.38Å; Y435-L480 HydrophobicContact CD1-CG 4.19Å; Y435-L480 HydrophobicContact CE1-CB 4Å; Y435-L480 WeakPolarHBondContact CE1-O 3.31Å; Y435-L480 PolarHBondContact OH-O 2.98Å
436I94.9Very high92.5Very high21 Ų2153.7 Ų53.711%0.10828%0.281CS..EExtended strand (participates in β ladder)trans-146.7138.3175.2-170.4167.1000110.7L398 V400 L414 V433 L449 V450L398-I436 HydrophobicContact CB-CG2 3.77Å; L398-I436 HydrophobicContact CD1-CB 4.47Å; L398-I436 HydrophobicContact CD1-CG2 3.72Å; L398-I436 HydrophobicContact CG-CG2 4.28Å; V400-I436 HydrophobicContact CG2-CB 4.29Å; V400-I436 HydrophobicContact CG2-CD1 3.87Å; V400-I436 HydrophobicContact CG2-CG1 3.87Å; V400-I436 HydrophobicContact CG2-CG2 3.47Å; V400-I436 VanDerWaalsContact CG2-CG2 3.47Å; L414-I436 HydrophobicContact CD2-CD1 3.57Å; V433-I436 HydrophobicContact CG1-CB 4.29Å; I436-L449 CarbonylContact C-O 3.49Å; I436-L449 WeakPolarHBondContact CA-O 3.31Å; I436-V450 HydrophobicContact CD1-CG2 4.11Å; I436-V450 HydrophobicContact CG1-CG2 4.08Å
437R92.6Very high92.5Very high78 Ų7849.9 Ų49.929%0.29426%0.264SS..EExtended strand (participates in β ladder)trans-150.1146.1176.8179.2168.9171.8-170-13.8111.8Y435 L448 L449 D481Y435-R437 HydrophobicContact CE1-CB 3.95Å; R437-L448 WeakPolarHBondContact O-CA 3.04Å; R437-L449 PolarHBondContact N-O 3.34Å; R437-L449 PolarHBondContact O-N 3.18Å; R437-D481 IonicContact CZ-OD1 3.36Å; R437-D481 IonicContact NH1-OD1 3.86Å; R437-D481 PolarHBondContact NH1-OD1 2.82Å; R437-D481 IonicContact NH1-OD2 3.15Å; R437-D481 IonicContact NH2-OD1 3.3Å
438V93.5Very high92.5Very high20 Ų2049.4 Ų49.412%0.12126%0.262CS..EExtended strand (participates in β ladder)trans-79.8123.8167.5-168.20000108.9Y342 V400 L401 E446 L448Y342-V438 HydrophobicContact CD2-CB 4.28Å; Y342-V438 HydrophobicContact CD2-CG1 4.26Å; Y342-V438 HydrophobicContact CD2-CG2 4.48Å; Y342-V438 HydrophobicContact CE2-CB 4.03Å; Y342-V438 HydrophobicContact CE2-CG1 3.6Å; V400-V438 HydrophobicContact CG1-CG2 3.15Å; L401-V438 WeakPolarHBondContact O-CG2 3.26Å; V438-E446 HydrophobicContact CG1-CB 4.1Å; V438-E446 HydrophobicContact CG1-CG 4.5Å; V438-L448 HydrophobicContact CB-CD2 4.41Å; V438-L448 HydrophobicContact CG2-CD2 3.86Å
439I90.1Very high92.5Very high32 Ų3245 Ų4516%0.16424%0.235CC..EExtended strand (participates in β ladder)trans-98.3-11.6179.651.9163000112.1S447 L449 K459 L482 Q486I439-S447 WeakPolarHBondContact CD1-OG 3.13Å; I439-S447 WeakPolarHBondContact CG1-O 3.5Å; I439-S447 WeakPolarHBondContact CG1-OG 3.38Å; I439-S447 PolarHBondContact N-O 2.79Å; I439-L449 HydrophobicContact CG2-CB 3.66Å; I439-L449 HydrophobicContact CG2-CD2 4.31Å; I439-K459 HydrophobicContact CD1-CD 4.17Å; I439-K459 HydrophobicContact CD1-CG 4.28Å; I439-L482 HydrophobicContact CB-CD1 4.1Å; I439-L482 HydrophobicContact CD1-CD1 3.89Å; I439-L482 HydrophobicContact CG2-CD1 3.64Å; I439-Q486 PolarHBondContact O-NE2 2.97Å
440G87.5Confident92.7Very high14 Ų1444.6 Ų44.614%0.14423%0.231CC..EExtended strand (participates in β ladder)trans114.5-169.817500000112.8E446 S447G440-E446 WeakPolarHBondContact O-CA 3.42Å; G440-S447 PolarHBondContact O-N 3.33Å; G440-S447 PolarHBondContact O-OG 3.4Å
441G87.3Confident92.8Very high48 Ų4838.1 Ų38.150%0.49520%0.201SC..  trans135.3-176.2-175.700000112.2
442I89.4Confident92.9Very high125 Ų12537 Ų3764%0.64119%0.193SC*.SBendtrans-66.1144.4174.1-59.9165.8000108.5G444 R445 E446I442-G444 PolarHBondContact O-N 3.02Å; I442-R445 HydrophobicContact CB-CB 4.38Å; I442-R445 CarbonylContact O-C 3.55Å; I442-R445 VanDerWaalsContact O-C 3.25Å; I442-R445 WeakPolarHBondContact O-CA 3.33Å; I442-R445 PolarHBondContact O-N 3.43Å; I442-E446 PolarHBondContact O-N 2.93Å
443A88.6Confident92.9Very high48 Ų4838.7 Ų38.740%0.39720%0.198SC..THydrogen-bonded Turntrans-56.8126.6178.400000111.7S403 R445S403-A443 WeakPolarHBondContact OG-CA 3.47Å; S403-A443 WeakPolarHBondContact OG-CB 3.38Å; A443-R445 VanDerWaalsContact C-N 3.25Å; A443-R445 PolarHBondContact O-N 3.42Å
444G88.7Confident92.8Very high12 Ų1240.6 Ų40.612%0.12421%0.208CC..THydrogen-bonded Turntrans83-5-175.400000114.5S403 I442 E446S403-G444 PolarHBondContact OG-N 3.12Å; I442-G444 PolarHBondContact O-N 3.02Å; G444-E446 WeakPolarHBondContact CA-OE2 3.31Å; G444-E446 PolarHBondContact N-OE2 3.35Å
445R92.8Very high92.9Very high147 Ų14734.9 Ų34.956%0.55519%0.187SC*.SBendtrans-13229.3177.3-52.5-173.7177.9-167.83.1110.8I442 A443 D463I442-R445 HydrophobicContact CB-CB 4.38Å; I442-R445 CarbonylContact O-C 3.55Å; I442-R445 VanDerWaalsContact O-C 3.25Å; I442-R445 WeakPolarHBondContact O-CA 3.33Å; I442-R445 PolarHBondContact O-N 3.43Å; A443-R445 VanDerWaalsContact C-N 3.25Å; A443-R445 PolarHBondContact O-N 3.42Å; R445-D463 HydrophobicContact CB-CB 4.34Å; R445-D463 VanDerWaalsContact CD-OD2 3.28Å; R445-D463 WeakPolarHBondContact CD-OD2 3.46Å; R445-D463 HydrophobicContact CG-CB 3.95Å; R445-D463 IonicContact NE-OD2 3.81Å
446E94.3Very high93Very high0 Ų032.3 Ų32.30%018%0.177CC..  trans-64.2156177.7-64.9100.4141.400111.4S403 V438 G440 I442 G444 L462S403-E446 WeakPolarHBondContact CA-OE1 3.2Å; S403-E446 WeakPolarHBondContact CB-OE1 3.33Å; S403-E446 PolarHBondContact N-OE1 3.5Å; S403-E446 PolarHBondContact OG-OE1 2.95Å; S403-E446 PolarHBondContact OG-OE2 2.92Å; V438-E446 HydrophobicContact CG1-CB 4.1Å; V438-E446 HydrophobicContact CG1-CG 4.5Å; G440-E446 WeakPolarHBondContact O-CA 3.42Å; I442-E446 PolarHBondContact O-N 2.93Å; G444-E446 WeakPolarHBondContact CA-OE2 3.31Å; G444-E446 PolarHBondContact N-OE2 3.35Å; E446-L462 HydrophobicContact CB-CD1 3.99Å; E446-L462 WeakPolarHBondContact O-CG 3.5Å; E446-L462 PolarHBondContact O-N 2.92Å
447S93.6Very high93.1Very high5 Ų531.4 Ų31.44%0.03517%0.172CC..EExtended strand (participates in β ladder)trans-104.7142.1174.8520000110.9I439 G440 I460I439-S447 WeakPolarHBondContact CD1-OG 3.13Å; I439-S447 WeakPolarHBondContact CG1-O 3.5Å; I439-S447 WeakPolarHBondContact CG1-OG 3.38Å; I439-S447 PolarHBondContact N-O 2.79Å; G440-S447 PolarHBondContact O-N 3.33Å; G440-S447 PolarHBondContact O-OG 3.4Å; S447-I460 CarbonylContact C-O 3.53Å; S447-I460 VanDerWaalsContact CA-O 3.3Å; S447-I460 WeakPolarHBondContact CA-O 3.33Å
448L94.7Very high93.2Very high0 Ų028.3 Ų28.30%016%0.161CC..EExtended strand (participates in β ladder)trans-112.3136.4178.7-51.3172.6000108.1V400 I407 R437 V438 V450 K459 I460 L462V400-L448 HydrophobicContact CG1-CD2 4.2Å; I407-L448 HydrophobicContact CD1-CD1 3.43Å; I407-L448 VanDerWaalsContact CD1-CD1 3.43Å; I407-L448 HydrophobicContact CD1-CD2 3.54Å; I407-L448 HydrophobicContact CD1-CG 4.09Å; I407-L448 HydrophobicContact CG1-CD1 4.21Å; R437-L448 WeakPolarHBondContact O-CA 3.04Å; V438-L448 HydrophobicContact CB-CD2 4.41Å; V438-L448 HydrophobicContact CG2-CD2 3.86Å; L448-V450 HydrophobicContact CB-CG2 4.33Å; L448-K459 CarbonylContact O-C 3.59Å; L448-K459 WeakPolarHBondContact O-CA 3.31Å; L448-I460 HydrophobicContact CB-CB 4.28Å; L448-I460 PolarHBondContact N-O 3.46Å; L448-I460 PolarHBondContact O-N 3.23Å; L448-L462 HydrophobicContact CD1-CD2 3.98Å; L448-L462 HydrophobicContact CG-CD2 4.43Å
449L95.5Very high93.3Very high1 Ų129 Ų291%0.00516%0.163CC..EExtended strand (participates in β ladder)trans-102.2123.1169.2-175.170.3000108.4I436 R437 I439 V457 L470 L480 L482 L489I436-L449 CarbonylContact C-O 3.49Å; I436-L449 WeakPolarHBondContact CA-O 3.31Å; R437-L449 PolarHBondContact N-O 3.34Å; R437-L449 PolarHBondContact O-N 3.18Å; I439-L449 HydrophobicContact CG2-CB 3.66Å; I439-L449 HydrophobicContact CG2-CD2 4.31Å; L449-V457 HydrophobicContact CD1-CG1 3.69Å; L449-L470 HydrophobicContact CD1-CD1 3.86Å; L449-L480 HydrophobicContact CD2-CB 3.8Å; L449-L480 HydrophobicContact CD2-CD1 4.24Å; L449-L480 HydrophobicContact CG-CB 4.4Å; L449-L480 HydrophobicContact CG-CD1 3.94Å; L449-L482 HydrophobicContact CD2-CD1 4.15Å; L449-L482 HydrophobicContact CD2-CG 3.87Å; L449-L489 HydrophobicContact CD1-CD1 4.32Å; L449-L489 HydrophobicContact CD2-CD1 3.96Å
450V96.4Very high93.5Very high0 Ų027.5 Ų27.50%016%0.155CC..EExtended strand (participates in β ladder)trans-125.2129.6-172.4-173.40000109.1V433 Y435 I436 L448 L452 V457 L458 I460V433-V450 HydrophobicContact CB-CG1 4.36Å; V433-V450 HydrophobicContact CG1-CG1 3.62Å; V433-V450 HydrophobicContact CG2-CG1 3.93Å; Y435-V450 WeakPolarHBondContact O-CA 3.26Å; I436-V450 HydrophobicContact CD1-CG2 4.11Å; I436-V450 HydrophobicContact CG1-CG2 4.08Å; L448-V450 HydrophobicContact CB-CG2 4.33Å; V450-L452 HydrophobicContact CG1-CD2 3.8Å; V450-V457 CarbonylContact O-C 3.56Å; V450-V457 WeakPolarHBondContact O-CA 3.39Å; V450-L458 HydrophobicContact CB-CB 4.27Å; V450-L458 PolarHBondContact N-O 3.07Å; V450-L458 PolarHBondContact O-N 3Å; V450-I460 HydrophobicContact CG2-CD1 3.78Å; V450-I460 HydrophobicContact CG2-CG1 4.17Å
451G96.5Very high93.8Very high0 Ų029.6 Ų29.60%016%0.16CC..EExtended strand (participates in β ladder)trans-113128.2174.200000111.3R434 Y435R434-G451 PolarHBondContact N-O 3.44Å; Y435-G451 PolarHBondContact N-O 2.63Å; Y435-G451 PolarHBondContact O-N 3.02Å
452L97.1Very high94.1Very high0 Ų027.6 Ų27.60%014%0.138CC..EExtended strand (participates in β ladder)trans-103.9157.6-176.3-56.1-168.4000112.7A429 V432 V433 V450 N454 G455 Q456 L458 I477A429-L452 HydrophobicContact CB-CD1 3.87Å; A429-L452 HydrophobicContact CB-CD2 3.74Å; V432-L452 WeakPolarHBondContact O-CA 3.13Å; V433-L452 HydrophobicContact CB-CD2 4.26Å; V433-L452 HydrophobicContact CG2-CD2 3.67Å; V450-L452 HydrophobicContact CG1-CD2 3.8Å; L452-N454 WeakPolarHBondContact CB-OD1 3.35Å; L452-N454 PolarHBondContact O-N 3.4Å; L452-G455 PolarHBondContact O-N 2.89Å; L452-G455 VanDerWaalsContact O-N 3.12Å; L452-Q456 HydrophobicContact CB-CB 4.31Å; L452-Q456 HydrophobicContact CD1-CB 4.04Å; L452-Q456 HydrophobicContact CG-CB 4.3Å; L452-Q456 PolarHBondContact N-O 3.32Å; L452-L458 HydrophobicContact CD1-CD1 3.91Å; L452-L458 HydrophobicContact CD1-CG 4.44Å; L452-L458 HydrophobicContact CG-CD1 4.39Å; L452-I477 PolarHBondContact O-N 3.47Å
453Q94.9Very high94.2Very high76 Ų7624.8 Ų24.836%0.35513%0.125SC..THydrogen-bonded Turntrans-66.7-20.6176.6-177.3176.95.100113.5V432 R434 G455 G476V432-Q453 HydrophobicContact CB-CB 4.34Å; V432-Q453 PolarHBondContact O-N 3.48Å; R434-Q453 HydrophobicContact CG-CB 3.98Å; Q453-G455 PolarHBondContact O-N 3.34Å; Q453-G476 WeakPolarHBondContact O-CA 3.18Å
454N94.5Very high94.4Very high48 Ų4825.4 Ų25.426%0.25712%0.121SC..THydrogen-bonded Turntrans-85.67.5173.867.6-9.8000113.4S431 L452 Q456S431-N454 VanDerWaalsContact CB-CG 3.45Å; S431-N454 PolarHBondContact OG-N 3.48Å; L452-N454 WeakPolarHBondContact CB-OD1 3.35Å; L452-N454 PolarHBondContact O-N 3.4Å; N454-Q456 PolarHBondContact ND2-OE1 3.43Å; N454-Q456 PolarHBondContact OD1-N 3.4Å; N454-Q456 PolarHBondContact OD1-OE1 2.92Å
455G94.4Very high94.4Very high0 Ų027.8 Ų27.80%013%0.134CC..SBendtrans87.20.4178.100000115.8L452 Q453 L473 D475 I477L452-G455 PolarHBondContact O-N 2.89Å; L452-G455 VanDerWaalsContact O-N 3.12Å; Q453-G455 PolarHBondContact O-N 3.34Å; G455-L473 PolarHBondContact O-N 2.85Å; G455-D475 WeakPolarHBondContact CA-O 3.33Å; G455-I477 VanDerWaalsContact C-CD1 3.46Å; G455-I477 WeakPolarHBondContact O-CD1 3.17Å
456Q96.1Very high94.4Very high4 Ų428.2 Ų28.22%0.01914%0.14CC..EExtended strand (participates in β ladder)trans-76.4131.2175.9-75.4171.4-34.400112.6E430 L452 N454 L458 E469 K472 I477E430-Q456 PolarHBondContact OE2-NE2 3.33Å; E430-Q456 PolarHBondContact OE2-OE1 2.6Å; E430-Q456 VanDerWaalsContact OE2-OE1 3.09Å; L452-Q456 HydrophobicContact CB-CB 4.31Å; L452-Q456 HydrophobicContact CD1-CB 4.04Å; L452-Q456 HydrophobicContact CG-CB 4.3Å; L452-Q456 PolarHBondContact N-O 3.32Å; N454-Q456 PolarHBondContact ND2-OE1 3.43Å; N454-Q456 PolarHBondContact OD1-N 3.4Å; N454-Q456 PolarHBondContact OD1-OE1 2.92Å; Q456-L458 HydrophobicContact CB-CD2 4.38Å; Q456-E469 VanDerWaalsContact CD-OE2 3.32Å; Q456-E469 WeakPolarHBondContact CG-OE2 3.4Å; Q456-E469 PolarHBondContact NE2-OE2 2.92Å; Q456-K472 HydrophobicContact CG-CB 4.37Å; Q456-K472 HydrophobicContact CG-CD 3.9Å; Q456-K472 HydrophobicContact CG-CG 3.94Å; Q456-I477 WeakPolarHBondContact O-CD1 3.48Å
457V96.3Very high94.3Very high1 Ų130.7 Ų30.71%0.00616%0.157CC..EExtended strand (participates in β ladder)trans-102.1117.9168.8-174.30000108.5L449 V450 L470 I471 I477 L480 L489L449-V457 HydrophobicContact CD1-CG1 3.69Å; V450-V457 CarbonylContact O-C 3.56Å; V450-V457 WeakPolarHBondContact O-CA 3.39Å; V457-L470 HydrophobicContact CB-CB 4.49Å; V457-L470 HydrophobicContact CG1-CB 4.39Å; V457-L470 HydrophobicContact CG1-CD1 4.24Å; V457-L470 PolarHBondContact O-N 2.9Å; V457-I471 PolarHBondContact N-O 3.38Å; V457-I477 HydrophobicContact CB-CD1 4.36Å; V457-I477 HydrophobicContact CG2-CD1 3.44Å; V457-I477 VanDerWaalsContact CG2-CD1 3.44Å; V457-I477 HydrophobicContact CG2-CG1 4.35Å; V457-L480 HydrophobicContact CG1-CD1 3.86Å; V457-L480 HydrophobicContact CG1-CD2 4.42Å; V457-L480 HydrophobicContact CG2-CD1 4.44Å; V457-L480 HydrophobicContact CG2-CD2 3.94Å; V457-L489 HydrophobicContact CB-CD2 4.42Å; V457-L489 HydrophobicContact CG1-CD2 3.93Å; V457-L489 HydrophobicContact CG2-CD2 4.27Å
458L95.6Very high94.3Very high14 Ų1438 Ų387%0.07318%0.183CC..EExtended strand (participates in β ladder)trans-111.3141.4-180-51.3177.9000111.1V450 L452 Q456 I460 P467 W468 E469V450-L458 HydrophobicContact CB-CB 4.27Å; V450-L458 PolarHBondContact N-O 3.07Å; V450-L458 PolarHBondContact O-N 3Å; L452-L458 HydrophobicContact CD1-CD1 3.91Å; L452-L458 HydrophobicContact CD1-CG 4.44Å; L452-L458 HydrophobicContact CG-CD1 4.39Å; Q456-L458 HydrophobicContact CB-CD2 4.38Å; L458-I460 HydrophobicContact CB-CG1 4.42Å; L458-P467 HydrophobicContact CB-CB 4.46Å; L458-P467 HydrophobicContact CD1-CB 4.04Å; L458-W468 CarbonylContact C-O 3.52Å; L458-W468 WeakPolarHBondContact CA-O 3.31Å; L458-E469 HydrophobicContact CD2-CB 3.82Å; L458-E469 HydrophobicContact CD2-CG 4.14Å
459K95Very high94.2Very high34 Ų3441.8 Ų41.815%0.14820%0.202CC..EExtended strand (participates in β ladder)trans-105.1115.3164-171.7168.4-178.2164.90108.7I439 L448 F461 W468 L470I439-K459 HydrophobicContact CD1-CD 4.17Å; I439-K459 HydrophobicContact CD1-CG 4.28Å; L448-K459 CarbonylContact O-C 3.59Å; L448-K459 WeakPolarHBondContact O-CA 3.31Å; K459-F461 HydrophobicContact CD-CE2 4.28Å; K459-F461 HydrophobicContact CD-CZ 4.11Å; K459-F461 HydrophobicContact CG-CE2 4.15Å; K459-F461 HydrophobicContact CG-CZ 4.35Å; K459-W468 PolarHBondContact N-O 3.4Å; K459-W468 WeakPolarHBondContact O-CB 3.48Å; K459-W468 PolarHBondContact O-N 3.45Å; K459-L470 HydrophobicContact CB-CD1 4Å; K459-L470 HydrophobicContact CB-CD2 4.09Å; K459-L470 HydrophobicContact CB-CG 3.97Å; K459-L470 HydrophobicContact CD-CD2 4.46Å
460I94.7Very high94.1Very high1 Ų143.9 Ų43.91%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-110.8121.6-179.6-55.1-178.1000108.4L414 W427 S447 L448 V450 L458 P467L414-I460 HydrophobicContact CD1-CD1 3.68Å; W427-I460 HydrophobicContact CD2-CG2 3.95Å; W427-I460 HydrophobicContact CE3-CG2 4.41Å; W427-I460 HydrophobicContact CG-CG2 4.38Å; W427-I460 HydrophobicContact CH2-CG2 4.31Å; W427-I460 HydrophobicContact CZ2-CG2 3.84Å; S447-I460 CarbonylContact C-O 3.53Å; S447-I460 VanDerWaalsContact CA-O 3.3Å; S447-I460 WeakPolarHBondContact CA-O 3.33Å; L448-I460 HydrophobicContact CB-CB 4.28Å; L448-I460 PolarHBondContact N-O 3.46Å; L448-I460 PolarHBondContact O-N 3.23Å; V450-I460 HydrophobicContact CG2-CD1 3.78Å; V450-I460 HydrophobicContact CG2-CG1 4.17Å; L458-I460 HydrophobicContact CB-CG1 4.42Å; I460-P467 HydrophobicContact CD1-CB 4.22Å; I460-P467 HydrophobicContact CD1-CG 4.18Å; I460-P467 HydrophobicContact CG1-CB 3.86Å; I460-P467 HydrophobicContact CG1-CG 4.22Å
461F94.4Very high93.9Very high58 Ų5845.1 Ų45.125%0.25422%0.219SC..EExtended strand (participates in β ladder)trans-90.2133.3169.5-62.1-93.6000109.2K459 D463 N464 W468K459-F461 HydrophobicContact CD-CE2 4.28Å; K459-F461 HydrophobicContact CD-CZ 4.11Å; K459-F461 HydrophobicContact CG-CE2 4.15Å; K459-F461 HydrophobicContact CG-CZ 4.35Å; F461-D463 WeakPolarHBondContact CB-OD1 3.19Å; F461-D463 PolarHBondContact O-N 3.44Å; F461-D463 VanDerWaalsContact O-N 3.16Å; F461-N464 HydrophobicContact CB-CB 3.84Å; F461-N464 PolarHBondContact O-N 3.3Å; F461-W468 HydrophobicContact CE2-CE3 4.24Å
462L93.5Very high93.8Very high6 Ų650.5 Ų50.53%0.03124%0.242CC..THydrogen-bonded Turntrans-59.1-29.7-177.1-73.7179.3000113.6C402 H405 I407 R425 W427 E446 L448C402-L462 HydrophobicContact CB-CD1 3.93Å; H405-L462 HydrophobicContact CB-CD1 4.21Å; I407-L462 HydrophobicContact CD1-CD2 4.03Å; I407-L462 HydrophobicContact CG1-CD2 4.17Å; R425-L462 PolarHBondContact NH1-O 2.97Å; W427-L462 HydrophobicContact CH2-CD2 3.87Å; W427-L462 HydrophobicContact CZ3-CD2 4.38Å; E446-L462 HydrophobicContact CB-CD1 3.99Å; E446-L462 WeakPolarHBondContact O-CG 3.5Å; E446-L462 PolarHBondContact O-N 2.92Å; L448-L462 HydrophobicContact CD1-CD2 3.98Å; L448-L462 HydrophobicContact CG-CD2 4.43Å
463D90.9Very high93.6Very high66 Ų6651.1 Ų51.135%0.35325%0.245SC..THydrogen-bonded Turntrans-86.6-5.1177.464.6-26.7000113.9R425 R445 F461R425-D463 VanDerWaalsContact CZ-O 3.3Å; R425-D463 PolarHBondContact NH1-O 2.95Å; R425-D463 PolarHBondContact NH2-O 3.19Å; R445-D463 HydrophobicContact CB-CB 4.34Å; R445-D463 VanDerWaalsContact CD-OD2 3.28Å; R445-D463 WeakPolarHBondContact CD-OD2 3.46Å; R445-D463 HydrophobicContact CG-CB 3.95Å; R445-D463 IonicContact NE-OD2 3.81Å; F461-D463 WeakPolarHBondContact CB-OD1 3.19Å; F461-D463 PolarHBondContact O-N 3.44Å; F461-D463 VanDerWaalsContact O-N 3.16Å
464N91.8Very high93.5Very high60 Ų6056 Ų5632%0.32127%0.274SS..  trans-112.5126.2-177.4-167.1-14.9000111.7W427 F461 F466W427-N464 PolarHBondContact NE1-O 3.23Å; W427-N464 VanDerWaalsContact NE1-O 3.07Å; F461-N464 HydrophobicContact CB-CB 3.84Å; F461-N464 PolarHBondContact O-N 3.3Å; N464-F466 VanDerWaalsContact C-N 3.27Å; N464-F466 PolarHBondContact O-N 2.99Å; N464-F466 PolarHBondContact OD1-N 3.34Å
465P89.9Confident93.4Very high62 Ų6255.3 Ų55.340%0.40327%0.27SS..SBendtrans-72.7-16.3177.429.8-34.9000113.9W427 P467W427-P465 PolarHBondContact NE1-O 2.88Å; P465-P467 WeakPolarHBondContact O-CD 3.37Å
466F92.5Very high93.4Very high156 Ų15655.5 Ų55.568%0.68427%0.272SS*.SBendtrans-104.1113.1-175.1-56.3-67.5000111.3N464N464-F466 VanDerWaalsContact C-N 3.27Å; N464-F466 PolarHBondContact O-N 2.99Å; N464-F466 PolarHBondContact OD1-N 3.34Å
467P92.4Very high93.4Very high53 Ų5355.3 Ų55.334%0.34427%0.271SS..PPolyproline II helixtrans-59.9136.3169.3-24.536.7000111.1W427 L458 I460 P465W427-P467 HydrophobicContact CG-CG 4.46Å; L458-P467 HydrophobicContact CB-CB 4.46Å; L458-P467 HydrophobicContact CD1-CB 4.04Å; I460-P467 HydrophobicContact CD1-CB 4.22Å; I460-P467 HydrophobicContact CD1-CG 4.18Å; I460-P467 HydrophobicContact CG1-CB 3.86Å; I460-P467 HydrophobicContact CG1-CG 4.22Å; P465-P467 WeakPolarHBondContact O-CD 3.37Å
468W92.6Very high93.2Very high157 Ų15761.2 Ų61.260%0.59529%0.293SS*.EExtended strand (participates in β ladder)trans-100.5116.6176.3-176.36.2000110.2L458 K459 F461 L470L458-W468 CarbonylContact C-O 3.52Å; L458-W468 WeakPolarHBondContact CA-O 3.31Å; K459-W468 PolarHBondContact N-O 3.4Å; K459-W468 WeakPolarHBondContact O-CB 3.48Å; K459-W468 PolarHBondContact O-N 3.45Å; F461-W468 HydrophobicContact CE2-CE3 4.24Å; W468-L470 PolarHBondContact O-N 3.46Å
469E94.2Very high93.1Very high81 Ų8161.1 Ų61.138%0.37929%0.293SS..EExtended strand (participates in β ladder)trans-69.9121.2171.6-170.6176.2122.200110.9Q456 L458 K472Q456-E469 VanDerWaalsContact CD-OE2 3.32Å; Q456-E469 WeakPolarHBondContact CG-OE2 3.4Å; Q456-E469 PolarHBondContact NE2-OE2 2.92Å; L458-E469 HydrophobicContact CD2-CB 3.82Å; L458-E469 HydrophobicContact CD2-CG 4.14Å; E469-K472 WeakPolarHBondContact OE1-CB 3.22Å
470L92.9Very high93.1Very high45 Ų4559.5 Ų59.524%0.23629%0.286CS..EExtended strand (participates in β ladder)trans-87-53.4175.9-65.2-179.5000110.8L449 V457 K459 W468 L503L449-L470 HydrophobicContact CD1-CD1 3.86Å; V457-L470 HydrophobicContact CB-CB 4.49Å; V457-L470 HydrophobicContact CG1-CB 4.39Å; V457-L470 HydrophobicContact CG1-CD1 4.24Å; V457-L470 PolarHBondContact O-N 2.9Å; K459-L470 HydrophobicContact CB-CD1 4Å; K459-L470 HydrophobicContact CB-CD2 4.09Å; K459-L470 HydrophobicContact CB-CG 3.97Å; K459-L470 HydrophobicContact CD-CD2 4.46Å; W468-L470 PolarHBondContact O-N 3.46Å; L470-L503 HydrophobicContact CB-CD2 4.32Å; L470-L503 HydrophobicContact CD1-CD1 4.44Å; L470-L503 HydrophobicContact CD1-CD2 4.36Å
471I92.7Very high93.1Very high25 Ų2559.8 Ų59.813%0.12829%0.288CS..EExtended strand (participates in β ladder)trans-148.6149.8-175.1-55.4-173.3000108.5V457 L473 L489 Y501 L503V457-I471 PolarHBondContact N-O 3.38Å; I471-L473 HydrophobicContact CG2-CD2 4.32Å; I471-L489 HydrophobicContact CD1-CD2 3.87Å; I471-L489 HydrophobicContact CG1-CD2 4.34Å; I471-Y501 VanDerWaalsContact CD1-CB 3.43Å; I471-Y501 HydrophobicContact CD1-CD1 3.73Å; I471-Y501 HydrophobicContact CD1-CD2 3.46Å; I471-Y501 VanDerWaalsContact CD1-CD2 3.46Å; I471-Y501 HydrophobicContact CD1-CE1 4.32Å; I471-Y501 HydrophobicContact CD1-CE2 4.08Å; I471-Y501 HydrophobicContact CD1-CG 3.25Å; I471-Y501 HydrophobicContact CG2-CE1 4.5Å; I471-Y501 HydrophobicContact CG2-CE2 4.18Å; I471-L503 HydrophobicContact CD1-CD2 4.09Å; I471-L503 HydrophobicContact CG1-CD2 4.35Å
472K93.7Very high93.1Very high114 Ų11457.7 Ų57.750%0.49628%0.28SS..EExtended strand (participates in β ladder)trans-125.2116.3171.2-175.6169.5-175.3162.80110.8Q456 E469Q456-K472 HydrophobicContact CG-CB 4.37Å; Q456-K472 HydrophobicContact CG-CD 3.9Å; Q456-K472 HydrophobicContact CG-CG 3.94Å; E469-K472 WeakPolarHBondContact OE1-CB 3.22Å
473L93.3Very high93.1Very high12 Ų1257.6 Ų57.66%0.06328%0.279CS..  trans-87.7158.7171.3-59.1-179.7000110.2G455 I471 D475 A491 Y499 Y501G455-L473 PolarHBondContact O-N 2.85Å; I471-L473 HydrophobicContact CG2-CD2 4.32Å; L473-D475 PolarHBondContact O-N 3.42Å; L473-A491 HydrophobicContact CD1-CB 4.01Å; L473-Y499 HydrophobicContact CD1-CD2 3.93Å; L473-Y499 HydrophobicContact CD1-CE2 4.4Å; L473-Y499 HydrophobicContact CD2-CD2 4.28Å; L473-Y499 HydrophobicContact CD2-CG 4.42Å; L473-Y501 HydrophobicContact CD2-CE2 3.96Å; L473-Y501 VanDerWaalsContact CD2-OH 3.29Å; L473-Y501 WeakPolarHBondContact CD2-OH 3.33Å
474N92Very high93.1Very high178 Ų17858.2 Ų58.295%0.95229%0.285SS*.SBendtrans-77-9.8174.9-67.8-21.9000113.2
475D93Very high93.1Very high35 Ų3558.6 Ų58.619%0.18729%0.293CS..SBendtrans-127.3154.1-173.2-173.926.2000109.9G455 L473 S493 E494 N495G455-D475 WeakPolarHBondContact CA-O 3.33Å; L473-D475 PolarHBondContact O-N 3.42Å; D475-S493 WeakPolarHBondContact OD2-CB 3.45Å; D475-S493 PolarHBondContact OD2-OG 2.93Å; D475-E494 PolarHBondContact OD2-N 2.88Å; D475-N495 VanDerWaalsContact OD2-CB 3.26Å; D475-N495 WeakPolarHBondContact OD2-CB 3.21Å; D475-N495 PolarHBondContact OD2-N 2.91Å; D475-N495 PolarHBondContact OD2-ND2 2.93Å
476G94Very high93.1Very high3 Ų358.7 Ų58.73%0.03129%0.288CS..  trans-63.3148.3-175.800000112.6Q453 S493 E494Q453-G476 WeakPolarHBondContact O-CA 3.18Å; G476-S493 CarbonylContact O-C 3.54Å; G476-S493 WeakPolarHBondContact O-CA 3.27Å; G476-E494 PolarHBondContact O-N 2.72Å
477I96.1Very high93.2Very high0 Ų053.2 Ų53.20%027%0.267CS..EExtended strand (participates in β ladder)trans-86.7130.6-179.7-68.6153.2000110.9R434 L452 G455 Q456 V457 L480R434-I477 WeakPolarHBondContact CB-O 3.49Å; L452-I477 PolarHBondContact O-N 3.47Å; G455-I477 VanDerWaalsContact C-CD1 3.46Å; G455-I477 WeakPolarHBondContact O-CD1 3.17Å; Q456-I477 WeakPolarHBondContact O-CD1 3.48Å; V457-I477 HydrophobicContact CB-CD1 4.36Å; V457-I477 HydrophobicContact CG2-CD1 3.44Å; V457-I477 VanDerWaalsContact CG2-CD1 3.44Å; V457-I477 HydrophobicContact CG2-CG1 4.35Å; I477-L480 HydrophobicContact CG2-CD1 4.06Å; I477-L480 HydrophobicContact CG2-CD2 3.54Å; I477-L480 HydrophobicContact CG2-CG 3.56Å
478R92.7Very high93.3Very high125 Ų12552.1 Ų52.147%0.47226%0.257SS..EExtended strand (participates in β ladder)trans-100.4-46.4176.5-172.5175.1-165.8151.18.5112.9I492 N496R478-I492 HydrophobicContact CB-CG2 4.27Å; R478-I492 PolarHBondContact N-O 3.41Å; R478-N496 PolarHBondContact NH1-OD1 3.3Å
479C93.6Very high93.4Very high12 Ų1244.6 Ų44.68%0.08123%0.229CC..EExtended strand (participates in β ladder)trans-146.8142.4-176.5-175.20000109.9Y435 I492Y435-C479 HydrophobicContact CE2-CB 4.48Å; C479-I492 HydrophobicContact CB-CB 4.12Å; C479-I492 HydrophobicContact CB-CD1 4.02Å; C479-I492 PolarHBondContact N-O 2.45Å; C479-I492 PolarHBondContact O-N 3.26Å
480L95.1Very high93.5Very high0 Ų040.8 Ų40.80%021%0.211CC..EExtended strand (participates in β ladder)trans-130.9143.3176.5-61.4176000109.9Y435 L449 V457 I477 S490 A491Y435-L480 HydrophobicContact CD1-CB 3.78Å; Y435-L480 HydrophobicContact CD1-CD1 4.38Å; Y435-L480 HydrophobicContact CD1-CG 4.19Å; Y435-L480 HydrophobicContact CE1-CB 4Å; Y435-L480 WeakPolarHBondContact CE1-O 3.31Å; Y435-L480 PolarHBondContact OH-O 2.98Å; L449-L480 HydrophobicContact CD2-CB 3.8Å; L449-L480 HydrophobicContact CD2-CD1 4.24Å; L449-L480 HydrophobicContact CG-CB 4.4Å; L449-L480 HydrophobicContact CG-CD1 3.94Å; V457-L480 HydrophobicContact CG1-CD1 3.86Å; V457-L480 HydrophobicContact CG1-CD2 4.42Å; V457-L480 HydrophobicContact CG2-CD1 4.44Å; V457-L480 HydrophobicContact CG2-CD2 3.94Å; I477-L480 HydrophobicContact CG2-CD1 4.06Å; I477-L480 HydrophobicContact CG2-CD2 3.54Å; I477-L480 HydrophobicContact CG2-CG 3.56Å; L480-S490 WeakPolarHBondContact CA-O 3.35Å; L480-A491 HydrophobicContact CD2-CB 3.53Å
481D94.7Very high93.6Very high8 Ų838.7 Ų38.74%0.04320%0.2CC..EExtended strand (participates in β ladder)trans-148.8151.6164.8-161.524.7000112R437 S490 A519 W520R437-D481 IonicContact CZ-OD1 3.36Å; R437-D481 IonicContact NH1-OD1 3.86Å; R437-D481 PolarHBondContact NH1-OD1 2.82Å; R437-D481 IonicContact NH1-OD2 3.15Å; R437-D481 IonicContact NH2-OD1 3.3Å; D481-S490 PolarHBondContact N-O 2.92Å; D481-S490 PolarHBondContact N-OG 3.33Å; D481-S490 PolarHBondContact O-N 3.29Å; D481-S490 PolarHBondContact O-OG 2.89Å; D481-A519 WeakPolarHBondContact OD2-CA 3.38Å; D481-W520 PolarHBondContact O-NE1 3.39Å; D481-W520 PolarHBondContact OD2-N 3.44Å
482L94.2Very high93.8Very high14 Ų1437.5 Ų37.57%0.07319%0.194CC..EExtended strand (participates in β ladder)trans-111.3151.6177-72.5174.1000111.1I439 L449 Q486 K488 L489 L503 W520I439-L482 HydrophobicContact CB-CD1 4.1Å; I439-L482 HydrophobicContact CD1-CD1 3.89Å; I439-L482 HydrophobicContact CG2-CD1 3.64Å; L449-L482 HydrophobicContact CD2-CD1 4.15Å; L449-L482 HydrophobicContact CD2-CG 3.87Å; L482-Q486 HydrophobicContact CD1-CB 4.24Å; L482-Q486 HydrophobicContact CD1-CG 4.27Å; L482-K488 CarbonylContact C-O 3.58Å; L482-K488 VanDerWaalsContact CA-O 3.31Å; L482-K488 WeakPolarHBondContact CA-O 3.5Å; L482-K488 WeakPolarHBondContact CD2-O 3.3Å; L482-L489 HydrophobicContact CD2-CB 3.83Å; L482-L489 HydrophobicContact CD2-CD1 3.58Å; L482-L489 HydrophobicContact CD2-CG 4.3Å; L482-L489 HydrophobicContact CG-CD1 4.2Å; L482-L503 HydrophobicContact CD2-CD1 3.65Å; L482-W520 WeakPolarHBondContact O-CB 3.44Å
483S93.6Very high93.8Very high4 Ų432.1 Ų32.13%0.02817%0.17CC..  trans-67.8169167.865.90000112.5S485 Q486 T487 K488 E525S483-S485 PolarHBondContact O-N 2.87Å; S483-Q486 WeakPolarHBondContact O-CA 3.2Å; S483-Q486 PolarHBondContact O-N 3.32Å; S483-T487 PolarHBondContact OG-N 3.16Å; S483-K488 PolarHBondContact N-O 2.93Å; S483-K488 PolarHBondContact OG-N 3.31Å; S483-K488 PolarHBondContact OG-O 3.46Å; S483-E525 VanDerWaalsContact CB-CD 3.44Å; S483-E525 WeakPolarHBondContact CB-OE1 3.3Å; S483-E525 PolarHBondContact OG-OE1 3.14Å
484V91.1Very high93.7Very high79 Ų7935 Ų3548%0.47918%0.183SC..THydrogen-bonded Turntrans-58.7-46.1-174.6-171.80000111.7Q486 N521 R522 E525V484-Q486 PolarHBondContact O-N 3.1Å; V484-N521 WeakPolarHBondContact CG2-O 3.37Å; V484-R522 WeakPolarHBondContact CG2-O 3.43Å; V484-E525 WeakPolarHBondContact CB-OE2 3.43Å; V484-E525 PolarHBondContact N-OE2 3.36Å; V484-E525 VanDerWaalsContact N-OE2 3.08Å
485S90.7Very high93.8Very high68 Ų6832 Ų3248%0.47617%0.167SC..THydrogen-bonded Turntrans-78.6-2.1177.478.80000113.4S483 T487 E525S483-S485 PolarHBondContact O-N 2.87Å; S485-T487 PolarHBondContact O-N 3.29Å; S485-T487 WeakPolarHBondContact OG-CG2 2.85Å; S485-T487 PolarHBondContact OG-OG1 3.36Å; S485-E525 PolarHBondContact N-OE2 3.33Å; S485-E525 PolarHBondContact OG-OE1 3.47Å; S485-E525 PolarHBondContact OG-OE2 3.12Å
486Q91Very high93.8Very high63 Ų6332.5 Ų32.529%0.29417%0.17SC..SBendtrans58.225.7-174-51.3-179.27.200113.7I439 L482 S483 V484I439-Q486 PolarHBondContact O-NE2 2.97Å; L482-Q486 HydrophobicContact CD1-CB 4.24Å; L482-Q486 HydrophobicContact CD1-CG 4.27Å; S483-Q486 WeakPolarHBondContact O-CA 3.2Å; S483-Q486 PolarHBondContact O-N 3.32Å; V484-Q486 PolarHBondContact O-N 3.1Å
487T92.7Very high93.9Very high42 Ų4234.6 Ų34.626%0.25818%0.18SC..  trans-90.6-21.3175.5590000112.4S483 S485 L503 V504 E525S483-T487 PolarHBondContact OG-N 3.16Å; S485-T487 PolarHBondContact O-N 3.29Å; S485-T487 WeakPolarHBondContact OG-CG2 2.85Å; S485-T487 PolarHBondContact OG-OG1 3.36Å; T487-L503 WeakPolarHBondContact O-CB 3.05Å; T487-L503 PolarHBondContact O-N 3.44Å; T487-V504 HydrophobicContact CG2-CG2 3.94Å; T487-E525 PolarHBondContact OG1-OE1 3.26Å
488K94.9Very high93.9Very high29 Ų2934.6 Ų34.613%0.12618%0.18CC..EExtended strand (participates in β ladder)trans-118.6140.1179.9-54.6178.3179.2-1700111.3L482 S483 Y501 L509 W520 D526L482-K488 CarbonylContact C-O 3.58Å; L482-K488 VanDerWaalsContact CA-O 3.31Å; L482-K488 WeakPolarHBondContact CA-O 3.5Å; L482-K488 WeakPolarHBondContact CD2-O 3.3Å; S483-K488 PolarHBondContact N-O 2.93Å; S483-K488 PolarHBondContact OG-N 3.31Å; S483-K488 PolarHBondContact OG-O 3.46Å; K488-Y501 CarbonylContact C-O 3.59Å; K488-Y501 VanDerWaalsContact CA-O 3.24Å; K488-Y501 WeakPolarHBondContact CA-O 3.36Å; K488-L509 HydrophobicContact CD-CD1 3.86Å; K488-L509 HydrophobicContact CG-CD1 4.12Å; K488-W520 HydrophobicContact CB-CH2 4.25Å; K488-W520 HydrophobicContact CB-CZ2 3.94Å; K488-W520 HydrophobicContact CD-CH2 4.1Å; K488-W520 HydrophobicContact CD-CZ3 4.36Å; K488-D526 IonicContact NZ-OD1 3.76Å; K488-D526 PolarHBondContact NZ-OD1 3.08Å
489L95.5Very high94Very high0 Ų030.8 Ų30.80%017%0.166CC..EExtended strand (participates in β ladder)trans-120.5126.8179.5175.971.2000109.7L449 V457 I471 L482 A500 Y501 L503L449-L489 HydrophobicContact CD1-CD1 4.32Å; L449-L489 HydrophobicContact CD2-CD1 3.96Å; V457-L489 HydrophobicContact CB-CD2 4.42Å; V457-L489 HydrophobicContact CG1-CD2 3.93Å; V457-L489 HydrophobicContact CG2-CD2 4.27Å; I471-L489 HydrophobicContact CD1-CD2 3.87Å; I471-L489 HydrophobicContact CG1-CD2 4.34Å; L482-L489 HydrophobicContact CD2-CB 3.83Å; L482-L489 HydrophobicContact CD2-CD1 3.58Å; L482-L489 HydrophobicContact CD2-CG 4.3Å; L482-L489 HydrophobicContact CG-CD1 4.2Å; L489-A500 CarbonylContact O-C 3.51Å; L489-A500 VanDerWaalsContact O-CA 3.28Å; L489-A500 WeakPolarHBondContact O-CA 3.33Å; L489-Y501 PolarHBondContact N-O 3.28Å; L489-Y501 PolarHBondContact O-N 3.13Å; L489-L503 HydrophobicContact CB-CD1 4.14Å; L489-L503 HydrophobicContact CB-CD2 3.97Å; L489-L503 HydrophobicContact CB-CG 4.03Å; L489-L503 HydrophobicContact CD2-CD2 4.18Å
490S95.5Very high94Very high0 Ų030.2 Ų30.20%016%0.162CC..EExtended strand (participates in β ladder)trans-96.9129.4162.271.90000109.2L480 D481 Y499 S518L480-S490 WeakPolarHBondContact CA-O 3.35Å; D481-S490 PolarHBondContact N-O 2.92Å; D481-S490 PolarHBondContact N-OG 3.33Å; D481-S490 PolarHBondContact O-N 3.29Å; D481-S490 PolarHBondContact O-OG 2.89Å; S490-Y499 CarbonylContact C-O 3.51Å; S490-Y499 WeakPolarHBondContact CA-O 3.32Å; S490-S518 PolarHBondContact OG-OG 2.86Å
491A95.7Very high94Very high1 Ų131.9 Ų31.91%0.00817%0.169CC..EExtended strand (participates in β ladder)trans-130.1116.2177.500000110.1L473 L480 Y499L473-A491 HydrophobicContact CD1-CB 4.01Å; L480-A491 HydrophobicContact CD2-CB 3.53Å; A491-Y499 PolarHBondContact N-O 2.91Å; A491-Y499 PolarHBondContact O-N 3.29Å
492I95.9Very high94Very high0 Ų033.1 Ų33.10%018%0.175CC..EExtended strand (participates in β ladder)trans-98128178.4-64.2166.6000109.1R478 C479 I497 C498 V515 S518R478-I492 HydrophobicContact CB-CG2 4.27Å; R478-I492 PolarHBondContact N-O 3.41Å; C479-I492 HydrophobicContact CB-CB 4.12Å; C479-I492 HydrophobicContact CB-CD1 4.02Å; C479-I492 PolarHBondContact N-O 2.45Å; C479-I492 PolarHBondContact O-N 3.26Å; I492-I497 CarbonylContact C-O 3.52Å; I492-I497 VanDerWaalsContact CA-O 3.28Å; I492-I497 WeakPolarHBondContact CA-O 3.41Å; I492-C498 HydrophobicContact CD1-CB 4.49Å; I492-C498 HydrophobicContact CG1-CB 3.77Å; I492-V515 HydrophobicContact CD1-CG1 3.72Å; I492-V515 HydrophobicContact CG1-CG1 4.31Å; I492-V515 WeakPolarHBondContact CG2-O 3.36Å; I492-S518 VanDerWaalsContact CD1-N 3.3Å; I492-S518 WeakPolarHBondContact CD1-OG 3.24Å
493S94.6Very high93.8Very high1 Ų134.8 Ų34.81%0.00718%0.184CC..EExtended strand (participates in β ladder)trans-84.8167.3178.587.30000113.3D475 G476 N495 N496 I497D475-S493 WeakPolarHBondContact OD2-CB 3.45Å; D475-S493 PolarHBondContact OD2-OG 2.93Å; G476-S493 CarbonylContact O-C 3.54Å; G476-S493 WeakPolarHBondContact O-CA 3.27Å; S493-N495 PolarHBondContact O-N 3Å; S493-N495 PolarHBondContact OG-N 3.48Å; S493-N496 PolarHBondContact O-N 3.33Å; S493-I497 PolarHBondContact N-O 2.74Å
494E92.3Very high93.7Very high72 Ų7240.2 Ų40.234%0.33622%0.217SC..THydrogen-bonded Turntrans-61.5-29.9175-77.8-173.917600112R434 D475 G476 N496R434-E494 IonicContact CZ-OE1 3.16Å; R434-E494 IonicContact NE-OE1 3.82Å; R434-E494 IonicContact NH2-OE1 3.45Å; D475-E494 PolarHBondContact OD2-N 2.88Å; G476-E494 PolarHBondContact O-N 2.72Å; E494-N496 PolarHBondContact O-N 2.94Å; E494-N496 VanDerWaalsContact O-N 3.16Å
495N93.4Very high93.7Very high115 Ų11539.8 Ų39.862%0.61522%0.217SC*.THydrogen-bonded Turntrans-73.911.1170.8-68.6-47.5000115D475 S493D475-N495 VanDerWaalsContact OD2-CB 3.26Å; D475-N495 WeakPolarHBondContact OD2-CB 3.21Å; D475-N495 PolarHBondContact OD2-N 2.91Å; D475-N495 PolarHBondContact OD2-ND2 2.93Å; S493-N495 PolarHBondContact O-N 3Å; S493-N495 PolarHBondContact OG-N 3.48Å
496N93.6Very high93.6Very high47 Ų4739 Ų3925%0.25122%0.221SC..SBendtrans61.141.3179-54.1-40.3000113.6R478 S493 E494 P513 K514 V515R478-N496 PolarHBondContact NH1-OD1 3.3Å; S493-N496 PolarHBondContact O-N 3.33Å; E494-N496 PolarHBondContact O-N 2.94Å; E494-N496 VanDerWaalsContact O-N 3.16Å; N496-P513 CarbonylContact O-C 3.52Å; N496-K514 CarbonylContact O-C 3.54Å; N496-K514 VanDerWaalsContact O-CA 3.28Å; N496-K514 WeakPolarHBondContact O-CA 3.32Å; N496-K514 PolarHBondContact O-N 3.34Å; N496-V515 CarbonylContact C-O 3.55Å; N496-V515 WeakPolarHBondContact CA-O 3.08Å; N496-V515 WeakPolarHBondContact CB-O 3.47Å; N496-V515 PolarHBondContact O-N 3.15Å
497I95.3Very high93.7Very high47 Ų4742.2 Ų42.224%0.24124%0.235CC..EExtended strand (participates in β ladder)trans-113.4124.6173.6-56.7173.2000108.1I492 S493 Y499I492-I497 CarbonylContact C-O 3.52Å; I492-I497 VanDerWaalsContact CA-O 3.28Å; I492-I497 WeakPolarHBondContact CA-O 3.41Å; S493-I497 PolarHBondContact N-O 2.74Å; I497-Y499 HydrophobicContact CB-CE2 3.84Å; I497-Y499 HydrophobicContact CG2-CD1 4.5Å; I497-Y499 HydrophobicContact CG2-CD2 4.23Å; I497-Y499 HydrophobicContact CG2-CE1 3.96Å; I497-Y499 HydrophobicContact CG2-CE2 3.66Å
498C94.9Very high93.7Very high0 Ų043.2 Ų43.20%024%0.239CC..EExtended strand (participates in β ladder)trans-87.3123.3173-173.90000109.7I492 Q511 E512 V515 M530I492-C498 HydrophobicContact CD1-CB 4.49Å; I492-C498 HydrophobicContact CG1-CB 3.77Å; C498-Q511 CarbonylContact O-C 3.51Å; C498-Q511 VanDerWaalsContact O-CA 3.22Å; C498-Q511 WeakPolarHBondContact O-CA 3.43Å; C498-E512 HydrophobicContact CB-CB 4.41Å; C498-E512 PolarHBondContact N-O 3.47Å; C498-E512 PolarHBondContact O-N 2.69Å; C498-V515 HydrophobicContact CB-CB 3.97Å; C498-V515 HydrophobicContact CB-CG1 4.02Å; C498-V515 HydrophobicContact CB-CG2 4.19Å; C498-M530 HydrophobicContact CB-SD 4Å; C498-M530 VanDerWaalsContact SG-SD 3.68Å
499Y95.1Very high93.6Very high45 Ų4544.3 Ų44.318%0.17625%0.246CC..EExtended strand (participates in β ladder)trans-109.6121.9172.2-59.8-86.3000109.2L473 S490 A491 I497 Y501 L508 Q511L473-Y499 HydrophobicContact CD1-CD2 3.93Å; L473-Y499 HydrophobicContact CD1-CE2 4.4Å; L473-Y499 HydrophobicContact CD2-CD2 4.28Å; L473-Y499 HydrophobicContact CD2-CG 4.42Å; S490-Y499 CarbonylContact C-O 3.51Å; S490-Y499 WeakPolarHBondContact CA-O 3.32Å; A491-Y499 PolarHBondContact N-O 2.91Å; A491-Y499 PolarHBondContact O-N 3.29Å; I497-Y499 HydrophobicContact CB-CE2 3.84Å; I497-Y499 HydrophobicContact CG2-CD1 4.5Å; I497-Y499 HydrophobicContact CG2-CD2 4.23Å; I497-Y499 HydrophobicContact CG2-CE1 3.96Å; I497-Y499 HydrophobicContact CG2-CE2 3.66Å; Y499-Y501 VanDerWaalsContact CB-CE2 3.43Å; Y499-Y501 HydrophobicContact CG-CE2 4.32Å; Y499-L508 HydrophobicContact CD1-CD1 3.98Å; Y499-L508 HydrophobicContact CG-CD1 4.45Å; Y499-Q511 HydrophobicContact CD1-CB 4.11Å; Y499-Q511 HydrophobicContact CE1-CB 4.33Å
500A94.7Very high93.5Very high0 Ų045.1 Ų45.10%025%0.249CC..EExtended strand (participates in β ladder)trans-102.5121.4173.300000110L489 L508 L509 F510 W520L489-A500 CarbonylContact O-C 3.51Å; L489-A500 VanDerWaalsContact O-CA 3.28Å; L489-A500 WeakPolarHBondContact O-CA 3.33Å; A500-L508 WeakPolarHBondContact O-CD1 3.35Å; A500-L509 HydrophobicContact CB-CB 4.37Å; A500-L509 WeakPolarHBondContact O-CB 3.23Å; A500-L509 PolarHBondContact O-N 2.91Å; A500-F510 HydrophobicContact CB-CD1 3.7Å; A500-F510 HydrophobicContact CB-CD2 4.02Å; A500-F510 HydrophobicContact CB-CE1 3.33Å; A500-F510 HydrophobicContact CB-CE2 3.69Å; A500-F510 HydrophobicContact CB-CG 4.01Å; A500-F510 HydrophobicContact CB-CZ 3.3Å; A500-F510 PolarHBondContact N-O 2.95Å; A500-F510 PolarHBondContact O-N 3.22Å; A500-W520 HydrophobicContact CB-CZ2 4.26Å
501Y94.6Very high93.3Very high35 Ų3550.7 Ų50.714%0.13728%0.275CS..EExtended strand (participates in β ladder)trans-114.1147.9179.2-68.5-89.7000111.1I471 L473 K488 L489 Y499 Q507 L508I471-Y501 VanDerWaalsContact CD1-CB 3.43Å; I471-Y501 HydrophobicContact CD1-CD1 3.73Å; I471-Y501 HydrophobicContact CD1-CD2 3.46Å; I471-Y501 VanDerWaalsContact CD1-CD2 3.46Å; I471-Y501 HydrophobicContact CD1-CE1 4.32Å; I471-Y501 HydrophobicContact CD1-CE2 4.08Å; I471-Y501 HydrophobicContact CD1-CG 3.25Å; I471-Y501 HydrophobicContact CG2-CE1 4.5Å; I471-Y501 HydrophobicContact CG2-CE2 4.18Å; L473-Y501 HydrophobicContact CD2-CE2 3.96Å; L473-Y501 VanDerWaalsContact CD2-OH 3.29Å; L473-Y501 WeakPolarHBondContact CD2-OH 3.33Å; K488-Y501 CarbonylContact C-O 3.59Å; K488-Y501 VanDerWaalsContact CA-O 3.24Å; K488-Y501 WeakPolarHBondContact CA-O 3.36Å; L489-Y501 PolarHBondContact N-O 3.28Å; L489-Y501 PolarHBondContact O-N 3.13Å; Y499-Y501 VanDerWaalsContact CB-CE2 3.43Å; Y499-Y501 HydrophobicContact CG-CE2 4.32Å; Y501-Q507 WeakPolarHBondContact CA-O 3.3Å; Y501-L508 HydrophobicContact CD1-CB 4.1Å; Y501-L508 HydrophobicContact CD1-CD1 4.11Å; Y501-L508 HydrophobicContact CD2-CD1 4.27Å; Y501-L508 HydrophobicContact CE1-CB 3.87Å; Y501-L508 HydrophobicContact CE1-CD1 3.76Å; Y501-L508 HydrophobicContact CE1-CG 4.41Å; Y501-L508 HydrophobicContact CE2-CD1 3.95Å; Y501-L508 HydrophobicContact CG-CD1 4.34Å
502D94.2Very high93.2Very high33 Ų3352.6 Ų52.618%0.17628%0.284CS..EExtended strand (participates in β ladder)trans-89.6118.6159.217324.5000108.8V504 S505 G506 Q507 L509D502-V504 VanDerWaalsContact C-N 3.28Å; D502-V504 PolarHBondContact O-N 3Å; D502-V504 PolarHBondContact OD1-N 3.2Å; D502-S505 WeakPolarHBondContact CB-OG 3.02Å; D502-S505 VanDerWaalsContact CG-OG 3.27Å; D502-S505 VanDerWaalsContact OD2-CB 3.31Å; D502-S505 WeakPolarHBondContact OD2-CB 3.13Å; D502-S505 PolarHBondContact OD2-N 2.97Å; D502-S505 PolarHBondContact OD2-OG 3.24Å; D502-G506 CarbonylContact O-C 3.52Å; D502-G506 WeakPolarHBondContact O-CA 3.03Å; D502-G506 PolarHBondContact O-N 3Å; D502-Q507 PolarHBondContact N-O 3.12Å; D502-Q507 PolarHBondContact O-N 3.27Å; D502-L509 HydrophobicContact CB-CD1 4.29Å; D502-L509 HydrophobicContact CB-CD2 4.07Å; D502-L509 HydrophobicContact CB-CG 4.2Å
503L91.4Very high93.1Very high50 Ų5056.2 Ų56.226%0.26231%0.308SS..THydrogen-bonded Turntrans-74.4-18.1-178.7-65.9174.9000112.7L470 I471 L482 T487 L489L470-L503 HydrophobicContact CB-CD2 4.32Å; L470-L503 HydrophobicContact CD1-CD1 4.44Å; L470-L503 HydrophobicContact CD1-CD2 4.36Å; I471-L503 HydrophobicContact CD1-CD2 4.09Å; I471-L503 HydrophobicContact CG1-CD2 4.35Å; L482-L503 HydrophobicContact CD2-CD1 3.65Å; T487-L503 WeakPolarHBondContact O-CB 3.05Å; T487-L503 PolarHBondContact O-N 3.44Å; L489-L503 HydrophobicContact CB-CD1 4.14Å; L489-L503 HydrophobicContact CB-CD2 3.97Å; L489-L503 HydrophobicContact CB-CG 4.03Å; L489-L503 HydrophobicContact CD2-CD2 4.18Å
504V91.1Very high93Very high118 Ų11862.1 Ų62.172%0.71533%0.333SS*.THydrogen-bonded Turntrans-78.3-48.8177.9-176.90000110.4T487 D502T487-V504 HydrophobicContact CG2-CG2 3.94Å; D502-V504 VanDerWaalsContact C-N 3.28Å; D502-V504 PolarHBondContact O-N 3Å; D502-V504 PolarHBondContact OD1-N 3.2Å
505S90Very high93.1Very high69 Ų6958.7 Ų58.748%0.48332%0.317SS..THydrogen-bonded Turntrans-86.5-21.317861.10000114D502 Q507D502-S505 WeakPolarHBondContact CB-OG 3.02Å; D502-S505 VanDerWaalsContact CG-OG 3.27Å; D502-S505 VanDerWaalsContact OD2-CB 3.31Å; D502-S505 WeakPolarHBondContact OD2-CB 3.13Å; D502-S505 PolarHBondContact OD2-N 2.97Å; D502-S505 PolarHBondContact OD2-OG 3.24Å; S505-Q507 PolarHBondContact O-N 3.02Å; S505-Q507 WeakPolarHBondContact OG-CB 3.41Å; S505-Q507 PolarHBondContact OG-N 3.45Å
506G89.2Confident93Very high53 Ų5355.5 Ų55.555%0.54630%0.3SS..  trans74.26.1-169.100000113.8D502D502-G506 CarbonylContact O-C 3.52Å; D502-G506 WeakPolarHBondContact O-CA 3.03Å; D502-G506 PolarHBondContact O-N 3Å
507Q92.6Very high93.1Very high129 Ų12953.7 Ų53.760%0.60329%0.291SS*.  trans-81.8141-175.7-172.1176.5-7.600111.9Y501 D502 S505 L509Y501-Q507 WeakPolarHBondContact CA-O 3.3Å; D502-Q507 PolarHBondContact N-O 3.12Å; D502-Q507 PolarHBondContact O-N 3.27Å; S505-Q507 PolarHBondContact O-N 3.02Å; S505-Q507 WeakPolarHBondContact OG-CB 3.41Å; S505-Q507 PolarHBondContact OG-N 3.45Å; Q507-L509 PolarHBondContact O-N 3.3Å
508L92.7Very high93.1Very high64 Ų6451.7 Ų51.734%0.33528%0.281SS..EExtended strand (participates in β ladder)trans-71.9117.7166.8-178.273000109.4Y499 A500 Y501Y499-L508 HydrophobicContact CD1-CD1 3.98Å; Y499-L508 HydrophobicContact CG-CD1 4.45Å; A500-L508 WeakPolarHBondContact O-CD1 3.35Å; Y501-L508 HydrophobicContact CD1-CB 4.1Å; Y501-L508 HydrophobicContact CD1-CD1 4.11Å; Y501-L508 HydrophobicContact CD2-CD1 4.27Å; Y501-L508 HydrophobicContact CE1-CB 3.87Å; Y501-L508 HydrophobicContact CE1-CD1 3.76Å; Y501-L508 HydrophobicContact CE1-CG 4.41Å; Y501-L508 HydrophobicContact CE2-CD1 3.95Å; Y501-L508 HydrophobicContact CG-CD1 4.34Å
509L92.4Very high93.1Very high51 Ų5151.7 Ų51.727%0.26728%0.281SS..EExtended strand (participates in β ladder)trans-75.7-56.8176.6-61.6175.1000110.7K488 A500 D502 Q507K488-L509 HydrophobicContact CD-CD1 3.86Å; K488-L509 HydrophobicContact CG-CD1 4.12Å; A500-L509 HydrophobicContact CB-CB 4.37Å; A500-L509 WeakPolarHBondContact O-CB 3.23Å; A500-L509 PolarHBondContact O-N 2.91Å; D502-L509 HydrophobicContact CB-CD1 4.29Å; D502-L509 HydrophobicContact CB-CD2 4.07Å; D502-L509 HydrophobicContact CB-CG 4.2Å; Q507-L509 PolarHBondContact O-N 3.3Å
510F93.4Very high93.2Very high17 Ų1750 Ų508%0.07528%0.275CS..EExtended strand (participates in β ladder)trans-153.2162.9177.366.2-98.7000111.8A500 E512 W520 I528 M530 K539A500-F510 HydrophobicContact CB-CD1 3.7Å; A500-F510 HydrophobicContact CB-CD2 4.02Å; A500-F510 HydrophobicContact CB-CE1 3.33Å; A500-F510 HydrophobicContact CB-CE2 3.69Å; A500-F510 HydrophobicContact CB-CG 4.01Å; A500-F510 HydrophobicContact CB-CZ 3.3Å; A500-F510 PolarHBondContact N-O 2.95Å; A500-F510 PolarHBondContact O-N 3.22Å; F510-E512 HydrophobicContact CD2-CG 3.92Å; F510-E512 HydrophobicContact CE2-CG 4.09Å; F510-W520 HydrophobicContact CE1-CH2 4.33Å; F510-I528 HydrophobicContact CE1-CG2 4.49Å; F510-I528 HydrophobicContact CZ-CD1 4.34Å; F510-I528 HydrophobicContact CZ-CG2 3.91Å; F510-M530 HydrophobicContact CE2-CE 4.2Å; F510-M530 HydrophobicContact CE2-SD 4.14Å; F510-K539 HydrophobicContact CD1-CD 4.25Å; F510-K539 HydrophobicContact CD2-CD 4.05Å; F510-K539 HydrophobicContact CE1-CD 4.23Å; F510-K539 HydrophobicContact CE2-CD 4.03Å; F510-K539 HydrophobicContact CG-CD 4.18Å; F510-K539 HydrophobicContact CZ-CD 4.14Å
511Q93.1Very high93.1Very high117 Ų11750 Ų5055%0.54728%0.275SS..EExtended strand (participates in β ladder)trans-127.6135.617062.8-178.22.700110.1C498 Y499C498-Q511 CarbonylContact O-C 3.51Å; C498-Q511 VanDerWaalsContact O-CA 3.22Å; C498-Q511 WeakPolarHBondContact O-CA 3.43Å; Y499-Q511 HydrophobicContact CD1-CB 4.11Å; Y499-Q511 HydrophobicContact CE1-CB 4.33Å
512E92.9Very high92.9Very high42 Ų4251.1 Ų51.120%0.19628%0.279CS..EExtended strand (participates in β ladder)trans-125.8120.5176.2-70.7-62.4167.900110.4C498 F510 V515 M530 K539C498-E512 HydrophobicContact CB-CB 4.41Å; C498-E512 PolarHBondContact N-O 3.47Å; C498-E512 PolarHBondContact O-N 2.69Å; F510-E512 HydrophobicContact CD2-CG 3.92Å; F510-E512 HydrophobicContact CE2-CG 4.09Å; E512-V515 HydrophobicContact CB-CG2 3.98Å; E512-M530 HydrophobicContact CB-CE 4.4Å; E512-M530 HydrophobicContact CB-SD 4.15Å; E512-M530 HydrophobicContact CG-CE 3.89Å; E512-M530 HydrophobicContact CG-SD 4.2Å; E512-K539 HydrophobicContact CG-CD 4.46Å; E512-K539 IonicContact OE1-NZ 2.97Å; E512-K539 PolarHBondContact OE1-NZ 3.05Å
513P93.8Very high92.7Very high76 Ų7655.8 Ų55.849%0.49430%0.299SS..EExtended strand (participates in β ladder)trans-79.8162.8179.533.9-35.2000111.9N496 V515N496-P513 CarbonylContact O-C 3.52Å; P513-V515 VanDerWaalsContact C-N 3.31Å; P513-V515 PolarHBondContact O-N 2.78Å
514K92.1Very high92.8Very high125 Ų12553.7 Ų53.754%0.54329%0.289SS..SBendtrans63.530.8174.1-57.8156.6155.9-166.50114.1N496 G532 M533N496-K514 CarbonylContact O-C 3.54Å; N496-K514 VanDerWaalsContact O-CA 3.28Å; N496-K514 WeakPolarHBondContact O-CA 3.32Å; N496-K514 PolarHBondContact O-N 3.34Å; K514-G532 WeakPolarHBondContact O-CA 3.06Å; K514-M533 HydrophobicContact CB-CE 3.91Å; K514-M533 HydrophobicContact CB-CG 4.06Å; K514-M533 HydrophobicContact CB-SD 4.14Å; K514-M533 HydrophobicContact CD-CE 3.27Å; K514-M533 HydrophobicContact CD-SD 3.72Å; K514-M533 HydrophobicContact CG-CE 3.62Å; K514-M533 HydrophobicContact CG-SD 4.32Å
515V94.5Very high92.8Very high0 Ų050.2 Ų50.20%026%0.264CS..  trans-103.4134178.8179.60000110.5I492 N496 C498 E512 P513 S517 M530 S531 I537I492-V515 HydrophobicContact CD1-CG1 3.72Å; I492-V515 HydrophobicContact CG1-CG1 4.31Å; I492-V515 WeakPolarHBondContact CG2-O 3.36Å; N496-V515 CarbonylContact C-O 3.55Å; N496-V515 WeakPolarHBondContact CA-O 3.08Å; N496-V515 WeakPolarHBondContact CB-O 3.47Å; N496-V515 PolarHBondContact O-N 3.15Å; C498-V515 HydrophobicContact CB-CB 3.97Å; C498-V515 HydrophobicContact CB-CG1 4.02Å; C498-V515 HydrophobicContact CB-CG2 4.19Å; E512-V515 HydrophobicContact CB-CG2 3.98Å; P513-V515 VanDerWaalsContact C-N 3.31Å; P513-V515 PolarHBondContact O-N 2.78Å; V515-S517 WeakPolarHBondContact CG1-O 3.38Å; V515-M530 HydrophobicContact CG1-CB 3.79Å; V515-M530 HydrophobicContact CG1-CG 4.12Å; V515-M530 HydrophobicContact CG1-SD 4.48Å; V515-M530 HydrophobicContact CG2-CB 4.37Å; V515-M530 HydrophobicContact CG2-SD 4.36Å; V515-S531 CarbonylContact C-O 3.44Å; V515-S531 WeakPolarHBondContact CG1-O 3.44Å; V515-I537 HydrophobicContact CG2-CD1 4.34Å
516N92.4Very high92.8Very high48 Ų4848.1 Ų48.126%0.25725%0.248SC..  trans-100.4-38.6-179-65.8-18.9000113.1S531 L553N516-S531 PolarHBondContact N-O 3.45Å; N516-L553 HydrophobicContact CB-CD2 3.63Å
517S95.1Very high93.1Very high9 Ų945.6 Ų45.66%0.06322%0.222CC..EExtended strand (participates in β ladder)trans-147.6157.9175.975.90000112.1V515 M530 S531 V554V515-S517 WeakPolarHBondContact CG1-O 3.38Å; S517-M530 CarbonylContact O-C 3.6Å; S517-M530 WeakPolarHBondContact O-CA 3.36Å; S517-S531 PolarHBondContact N-O 3.25Å; S517-S531 PolarHBondContact O-N 2.83Å; S517-S531 PolarHBondContact OG-OG 3.27Å; S517-V554 WeakPolarHBondContact CB-O 3.15Å; S517-V554 PolarHBondContact OG-N 3.44Å; S517-V554 PolarHBondContact OG-O 3.44Å
518S95.3Very high93.3Very high5 Ų539.4 Ų39.44%0.03519%0.193CC..EExtended strand (participates in β ladder)trans-138.6150.7-179.954.50000111.1S490 I492 C529S490-S518 PolarHBondContact OG-OG 2.86Å; I492-S518 VanDerWaalsContact CD1-N 3.3Å; I492-S518 WeakPolarHBondContact CD1-OG 3.24Å; S518-C529 CarbonylContact C-O 3.57Å; S518-C529 WeakPolarHBondContact CA-O 3.38Å
519A95Very high93.4Very high0 Ų036.4 Ų36.40%018%0.177CC..EExtended strand (participates in β ladder)trans-143.6129.816700000111.1D481 I528 C529 V554 F557D481-A519 WeakPolarHBondContact OD2-CA 3.38Å; A519-I528 WeakPolarHBondContact O-CG1 3.32Å; A519-C529 PolarHBondContact N-O 2.82Å; A519-C529 PolarHBondContact O-N 3.02Å; A519-V554 HydrophobicContact CB-CG1 3.65Å; A519-F557 HydrophobicContact CB-CB 4.15Å
520W95.9Very high93.6Very high9 Ų934 Ų343%0.03416%0.164CC..EExtended strand (participates in β ladder)trans-73.5148.4169-71.398.8000110.4D481 L482 K488 A500 F510 I528D481-W520 PolarHBondContact O-NE1 3.39Å; D481-W520 PolarHBondContact OD2-N 3.44Å; L482-W520 WeakPolarHBondContact O-CB 3.44Å; K488-W520 HydrophobicContact CB-CH2 4.25Å; K488-W520 HydrophobicContact CB-CZ2 3.94Å; K488-W520 HydrophobicContact CD-CH2 4.1Å; K488-W520 HydrophobicContact CD-CZ3 4.36Å; A500-W520 HydrophobicContact CB-CZ2 4.26Å; F510-W520 HydrophobicContact CE1-CH2 4.33Å; W520-I528 HydrophobicContact CD2-CB 4Å; W520-I528 HydrophobicContact CD2-CD1 3.98Å; W520-I528 HydrophobicContact CD2-CG1 4Å; W520-I528 HydrophobicContact CE3-CB 3.65Å; W520-I528 HydrophobicContact CE3-CD1 4.43Å; W520-I528 HydrophobicContact CE3-CG1 4.19Å; W520-I528 HydrophobicContact CG-CD1 4.44Å; W520-I528 HydrophobicContact CG-CG1 4.32Å; W520-I528 HydrophobicContact CH2-CB 4.23Å; W520-I528 HydrophobicContact CH2-CD1 4.26Å; W520-I528 HydrophobicContact CH2-CG2 4.47Å; W520-I528 HydrophobicContact CZ2-CD1 3.84Å; W520-I528 HydrophobicContact CZ3-CB 3.77Å; W520-I528 HydrophobicContact CZ3-CG2 4.27Å
521N94.4Very high93.6Very high1 Ų133.1 Ų33.11%0.00516%0.161CC..BIsolated β-bridgetrans-70.5134.7176.1-163.7-72.4000110.2V484 H523 C524 L527 F557 G559V484-N521 WeakPolarHBondContact CG2-O 3.37Å; N521-H523 VanDerWaalsContact C-N 3.3Å; N521-H523 PolarHBondContact O-N 3.27Å; N521-H523 PolarHBondContact OD1-N 3.47Å; N521-C524 HydrophobicContact CB-CB 4.39Å; N521-C524 PolarHBondContact OD1-N 3.45Å; N521-L527 HydrophobicContact CB-CB 3.93Å; N521-L527 HydrophobicContact CB-CD2 4.1Å; N521-L527 HydrophobicContact CB-CG 4.16Å; N521-L527 VanDerWaalsContact CB-O 3.32Å; N521-L527 WeakPolarHBondContact CB-O 3.47Å; N521-L527 PolarHBondContact N-O 3.31Å; N521-F557 WeakPolarHBondContact CA-O 3.46Å; N521-F557 HydrophobicContact CB-CD1 3.7Å; N521-F557 HydrophobicContact CB-CE1 3.97Å; N521-F557 HydrophobicContact CB-CG 4.15Å; N521-F557 VanDerWaalsContact ND2-CD2 3.31Å; N521-F557 WeakPolarHBondContact ND2-CD2 3.45Å; N521-F557 WeakPolarHBondContact ND2-CE1 3.4Å; N521-F557 WeakPolarHBondContact ND2-CE2 3.13Å; N521-F557 VanDerWaalsContact ND2-CZ 3.28Å; N521-F557 WeakPolarHBondContact ND2-CZ 3.37Å; N521-G559 PolarHBondContact ND2-O 3.26Å; N521-G559 PolarHBondContact OD1-N 3.47Å
522R89.7Confident93.6Very high58 Ų5827.8 Ų27.822%0.21914%0.137CC..SBendtrans-73.2-18-178.9-69.6-171.5-169.7141.65.4115.9N305 V484 F557 A558N305-R522 VanDerWaalsContact C-CZ 3.48Å; N305-R522 VanDerWaalsContact C-NH2 3.29Å; N305-R522 VanDerWaalsContact CA-NH2 3.28Å; N305-R522 VanDerWaalsContact O-CZ 3.27Å; N305-R522 PolarHBondContact O-NH1 3.18Å; N305-R522 PolarHBondContact O-NH2 2.99Å; V484-R522 WeakPolarHBondContact CG2-O 3.43Å; R522-F557 PolarHBondContact N-O 2.91Å; R522-A558 HydrophobicContact CB-CB 4.47Å
523H90.9Very high93.4Very high131 Ų13131.1 Ų31.161%0.60615%0.154SC*.SBendtrans-110.9-17.5-175.8-56.7122.4000112N521 G559 L599N521-H523 VanDerWaalsContact C-N 3.3Å; N521-H523 PolarHBondContact O-N 3.27Å; N521-H523 PolarHBondContact OD1-N 3.47Å; H523-G559 PolarHBondContact ND1-N 3.09Å; H523-L599 HydrophobicContact CB-CD2 3.41Å; H523-L599 VanDerWaalsContact CB-CD2 3.41Å
524C91.7Very high93.2Very high6 Ų634.6 Ų34.64%0.04116%0.163CC..  trans-130.6120.3-179.4-176.10000110.7N521 D526 L527 L599N521-C524 HydrophobicContact CB-CB 4.39Å; N521-C524 PolarHBondContact OD1-N 3.45Å; C524-D526 VanDerWaalsContact C-N 3.3Å; C524-D526 PolarHBondContact O-N 2.91Å; C524-L527 HydrophobicContact CB-CB 4.04Å; C524-L527 HydrophobicContact CB-CD2 4.5Å; C524-L599 HydrophobicContact CB-CD1 3.88Å
525E90.9Very high93.2Very high44 Ų4432.4 Ų32.421%0.20615%0.154CC..THydrogen-bonded Turntrans-61.9-34.6-173.3-174.262.8-169.900114.2S483 V484 S485 T487S483-E525 VanDerWaalsContact CB-CD 3.44Å; S483-E525 WeakPolarHBondContact CB-OE1 3.3Å; S483-E525 PolarHBondContact OG-OE1 3.14Å; V484-E525 WeakPolarHBondContact CB-OE2 3.43Å; V484-E525 PolarHBondContact N-OE2 3.36Å; V484-E525 VanDerWaalsContact N-OE2 3.08Å; S485-E525 PolarHBondContact N-OE2 3.33Å; S485-E525 PolarHBondContact OG-OE1 3.47Å; S485-E525 PolarHBondContact OG-OE2 3.12Å; T487-E525 PolarHBondContact OG1-OE1 3.26Å
526D91.8Very high93.2Very high25 Ų2532.4 Ų32.413%0.13415%0.154CC..THydrogen-bonded Turntrans-96.6-1-168.8-70.7-37.3000114K488 C524 L540 K541 L592K488-D526 IonicContact NZ-OD1 3.76Å; K488-D526 PolarHBondContact NZ-OD1 3.08Å; C524-D526 VanDerWaalsContact C-N 3.3Å; C524-D526 PolarHBondContact O-N 2.91Å; D526-L540 HydrophobicContact CB-CD1 3.91Å; D526-K541 HydrophobicContact CB-CG 3.69Å; D526-K541 PolarHBondContact O-N 3.33Å; D526-K541 WeakPolarHBondContact OD2-CE 3.37Å; D526-K541 IonicContact OD2-NZ 3.94Å; D526-L592 HydrophobicContact CB-CD1 4.22Å
527L94.8Very high93.3Very high0 Ų030.9 Ų30.90%015%0.146CC..EExtended strand (participates in β ladder)trans-107.9125.4-170.1-17566.7000110.2N521 C524 I538 L540 F557 L577 Q580 L599N521-L527 HydrophobicContact CB-CB 3.93Å; N521-L527 HydrophobicContact CB-CD2 4.1Å; N521-L527 HydrophobicContact CB-CG 4.16Å; N521-L527 VanDerWaalsContact CB-O 3.32Å; N521-L527 WeakPolarHBondContact CB-O 3.47Å; N521-L527 PolarHBondContact N-O 3.31Å; C524-L527 HydrophobicContact CB-CB 4.04Å; C524-L527 HydrophobicContact CB-CD2 4.5Å; L527-I538 HydrophobicContact CD1-CG2 3.92Å; L527-L540 HydrophobicContact CB-CD1 4.28Å; L527-L540 HydrophobicContact CD1-CB 4.38Å; L527-L540 HydrophobicContact CD1-CD1 4.25Å; L527-F557 HydrophobicContact CD1-CE1 4.44Å; L527-F557 HydrophobicContact CD2-CE1 3.84Å; L527-F557 HydrophobicContact CD2-CZ 3.71Å; L527-F557 HydrophobicContact CG-CE1 3.65Å; L527-F557 HydrophobicContact CG-CZ 4.01Å; L527-L577 HydrophobicContact CD2-CD1 4.31Å; L527-L577 HydrophobicContact CD2-CD2 4.14Å; L527-Q580 HydrophobicContact CD1-CG 4.08Å; L527-L599 HydrophobicContact CD2-CD1 3.84Å
528I95.9Very high93.3Very high0 Ų030.4 Ų30.40%014%0.143CC..EExtended strand (participates in β ladder)trans-130.7142.9-178.7-167.4177.7000110.6F510 A519 W520 M530 I538 K539F510-I528 HydrophobicContact CE1-CG2 4.49Å; F510-I528 HydrophobicContact CZ-CD1 4.34Å; F510-I528 HydrophobicContact CZ-CG2 3.91Å; A519-I528 WeakPolarHBondContact O-CG1 3.32Å; W520-I528 HydrophobicContact CD2-CB 4Å; W520-I528 HydrophobicContact CD2-CD1 3.98Å; W520-I528 HydrophobicContact CD2-CG1 4Å; W520-I528 HydrophobicContact CE3-CB 3.65Å; W520-I528 HydrophobicContact CE3-CD1 4.43Å; W520-I528 HydrophobicContact CE3-CG1 4.19Å; W520-I528 HydrophobicContact CG-CD1 4.44Å; W520-I528 HydrophobicContact CG-CG1 4.32Å; W520-I528 HydrophobicContact CH2-CB 4.23Å; W520-I528 HydrophobicContact CH2-CD1 4.26Å; W520-I528 HydrophobicContact CH2-CG2 4.47Å; W520-I528 HydrophobicContact CZ2-CD1 3.84Å; W520-I528 HydrophobicContact CZ3-CB 3.77Å; W520-I528 HydrophobicContact CZ3-CG2 4.27Å; I528-M530 HydrophobicContact CD1-CG 4.3Å; I528-M530 HydrophobicContact CG1-CG 4.4Å; I528-M530 HydrophobicContact CG2-CE 4.29Å; I528-I538 WeakPolarHBondContact O-CA 3.29Å; I528-K539 HydrophobicContact CG2-CB 3.92Å; I528-K539 PolarHBondContact N-O 3.45Å; I528-K539 PolarHBondContact O-N 3.05Å
529C95.7Very high93.2Very high0 Ų031 Ų310%014%0.144CC..EExtended strand (participates in β ladder)trans-115.1130.3170.7-172.90000109.2S518 A519 I537 V554 F557 V562S518-C529 CarbonylContact C-O 3.57Å; S518-C529 WeakPolarHBondContact CA-O 3.38Å; A519-C529 PolarHBondContact N-O 2.82Å; A519-C529 PolarHBondContact O-N 3.02Å; C529-I537 CarbonylContact C-O 3.54Å; C529-I537 WeakPolarHBondContact CA-O 3.15Å; C529-V554 HydrophobicContact CB-CG1 4.39Å; C529-F557 HydrophobicContact CB-CB 4.31Å; C529-F557 HydrophobicContact CB-CD1 3.47Å; C529-F557 VanDerWaalsContact CB-CD1 3.47Å; C529-F557 HydrophobicContact CB-CE1 3.74Å; C529-F557 HydrophobicContact CB-CG 3.94Å; C529-F557 HydrophobicContact CB-CZ 4.46Å; C529-V562 HydrophobicContact CB-CG1 4.5Å; C529-V562 HydrophobicContact CB-CG2 4.46Å
530M96.1Very high93.2Very high0 Ų031 Ų310%014%0.144CC..EExtended strand (participates in β ladder)trans-119.9156.3179.5-69.6171.5-69.300109.2C498 F510 E512 V515 S517 I528 L536 I537 K539C498-M530 HydrophobicContact CB-SD 4Å; C498-M530 VanDerWaalsContact SG-SD 3.68Å; F510-M530 HydrophobicContact CE2-CE 4.2Å; F510-M530 HydrophobicContact CE2-SD 4.14Å; E512-M530 HydrophobicContact CB-CE 4.4Å; E512-M530 HydrophobicContact CB-SD 4.15Å; E512-M530 HydrophobicContact CG-CE 3.89Å; E512-M530 HydrophobicContact CG-SD 4.2Å; V515-M530 HydrophobicContact CG1-CB 3.79Å; V515-M530 HydrophobicContact CG1-CG 4.12Å; V515-M530 HydrophobicContact CG1-SD 4.48Å; V515-M530 HydrophobicContact CG2-CB 4.37Å; V515-M530 HydrophobicContact CG2-SD 4.36Å; S517-M530 CarbonylContact O-C 3.6Å; S517-M530 WeakPolarHBondContact O-CA 3.36Å; I528-M530 HydrophobicContact CD1-CG 4.3Å; I528-M530 HydrophobicContact CG1-CG 4.4Å; I528-M530 HydrophobicContact CG2-CE 4.29Å; M530-L536 CarbonylContact O-C 3.58Å; M530-L536 WeakPolarHBondContact O-CA 3.43Å; M530-I537 HydrophobicContact CB-CB 4.12Å; M530-I537 HydrophobicContact CE-CB 4.45Å; M530-I537 HydrophobicContact CE-CG2 3.91Å; M530-I537 PolarHBondContact N-O 2.89Å; M530-I537 PolarHBondContact O-N 3.06Å; M530-K539 HydrophobicContact CE-CB 4Å; M530-K539 HydrophobicContact CE-CD 4.34Å
531S94.6Very high92.9Very high0 Ų033.6 Ų33.60%016%0.156CC..EExtended strand (participates in β ladder)trans-128136.9172.158.20000111.7V515 N516 S517 K535 G552 L553 V554V515-S531 CarbonylContact C-O 3.44Å; V515-S531 WeakPolarHBondContact CG1-O 3.44Å; N516-S531 PolarHBondContact N-O 3.45Å; S517-S531 PolarHBondContact N-O 3.25Å; S517-S531 PolarHBondContact O-N 2.83Å; S517-S531 PolarHBondContact OG-OG 3.27Å; S531-K535 CarbonylContact C-O 3.48Å; S531-K535 VanDerWaalsContact CA-O 3.27Å; S531-K535 WeakPolarHBondContact CA-O 3.32Å; S531-G552 WeakPolarHBondContact CB-O 3.49Å; S531-L553 WeakPolarHBondContact OG-CA 3.28Å; S531-V554 PolarHBondContact OG-N 2.87Å; S531-V554 VanDerWaalsContact OG-N 3.08Å
532G92Very high92.5Very high4 Ų438.9 Ų38.94%0.04118%0.184CC..EExtended strand (participates in β ladder)trans-170.7142.5-175.600000111.3K514 E534 K535K514-G532 WeakPolarHBondContact O-CA 3.06Å; G532-E534 VanDerWaalsContact C-N 3.28Å; G532-E534 PolarHBondContact O-N 3.32Å; G532-K535 PolarHBondContact N-O 2.88Å; G532-K535 WeakPolarHBondContact O-CA 3.32Å; G532-K535 WeakPolarHBondContact O-CB 3.47Å; G532-K535 PolarHBondContact O-N 2.8Å
533M88.7Confident92.6Very high112 Ų11237.7 Ų37.755%0.55218%0.181SC*.THydrogen-bonded Turntrans50.740.1-179.9-57.8-166.5147.700115K514 K535K514-M533 HydrophobicContact CB-CE 3.91Å; K514-M533 HydrophobicContact CB-CG 4.06Å; K514-M533 HydrophobicContact CB-SD 4.14Å; K514-M533 HydrophobicContact CD-CE 3.27Å; K514-M533 HydrophobicContact CD-SD 3.72Å; K514-M533 HydrophobicContact CG-CE 3.62Å; K514-M533 HydrophobicContact CG-SD 4.32Å; M533-K535 PolarHBondContact O-N 3.33Å
534E89.4Confident92.6Very high149 Ų14935.4 Ų35.470%0.69618%0.177SC*.THydrogen-bonded Turntrans59.229.2-174.6-52.2-176.5161.300113.9G532 M550 P551G532-E534 VanDerWaalsContact C-N 3.28Å; G532-E534 PolarHBondContact O-N 3.32Å; E534-M550 CarbonylContact C-O 3.59Å; E534-M550 CarbonylContact O-C 3.52Å; E534-M550 VanDerWaalsContact O-C 3.24Å; E534-M550 PolarHBondContact O-N 3.32Å; E534-M550 VanDerWaalsContact O-O 3.12Å; E534-P551 HydrophobicContact CB-CB 4.36Å; E534-P551 HydrophobicContact CG-CB 4.44Å
535K93.2Very high92.5Very high80 Ų8036.5 Ų36.535%0.34819%0.187SC..EExtended strand (participates in β ladder)trans-127.3149.7174.6-56.8177.3179.3-1770111S531 G532 M533 E547 L548S531-K535 CarbonylContact C-O 3.48Å; S531-K535 VanDerWaalsContact CA-O 3.27Å; S531-K535 WeakPolarHBondContact CA-O 3.32Å; G532-K535 PolarHBondContact N-O 2.88Å; G532-K535 WeakPolarHBondContact O-CA 3.32Å; G532-K535 WeakPolarHBondContact O-CB 3.47Å; G532-K535 PolarHBondContact O-N 2.8Å; M533-K535 PolarHBondContact O-N 3.33Å; K535-E547 WeakPolarHBondContact CD-OE2 3.18Å; K535-E547 IonicContact NZ-OE2 2.69Å; K535-E547 PolarHBondContact NZ-OE2 2.76Å; K535-L548 CarbonylContact C-O 3.5Å; K535-L548 WeakPolarHBondContact CA-O 3.44Å
536L93.7Very high92.6Very high0 Ų038.6 Ų38.60%019%0.193CC..EExtended strand (participates in β ladder)trans-93.4134.6162.6-65.7173000109.2M530 E547 L548 M550 V554 V562 V573M530-L536 CarbonylContact O-C 3.58Å; M530-L536 WeakPolarHBondContact O-CA 3.43Å; L536-E547 CarbonylContact O-C 3.51Å; L536-E547 WeakPolarHBondContact O-CA 3.17Å; L536-L548 HydrophobicContact CB-CB 4.3Å; L536-L548 HydrophobicContact CD1-CD2 4.29Å; L536-L548 PolarHBondContact N-O 3.25Å; L536-L548 PolarHBondContact O-N 3.32Å; L536-M550 HydrophobicContact CD1-CB 3.71Å; L536-M550 HydrophobicContact CD1-CE 3.81Å; L536-M550 HydrophobicContact CD1-CG 4.06Å; L536-M550 HydrophobicContact CD2-CE 4.31Å; L536-M550 HydrophobicContact CG-CB 3.82Å; L536-M550 HydrophobicContact CG-CE 4.18Å; L536-V554 HydrophobicContact CD2-CG2 3.09Å; L536-V562 HydrophobicContact CD2-CG1 4.44Å; L536-V573 HydrophobicContact CD1-CG1 4.5Å
537I94.6Very high92.6Very high15 Ų1542.2 Ų42.28%0.07721%0.21CC..EExtended strand (participates in β ladder)trans-122.9108.6-176.9-55.9172.4000107.2V515 C529 M530 A545 Y546 E547V515-I537 HydrophobicContact CG2-CD1 4.34Å; C529-I537 CarbonylContact C-O 3.54Å; C529-I537 WeakPolarHBondContact CA-O 3.15Å; M530-I537 HydrophobicContact CB-CB 4.12Å; M530-I537 HydrophobicContact CE-CB 4.45Å; M530-I537 HydrophobicContact CE-CG2 3.91Å; M530-I537 PolarHBondContact N-O 2.89Å; M530-I537 PolarHBondContact O-N 3.06Å; I537-A545 HydrophobicContact CG2-CB 3.4Å; I537-A545 VanDerWaalsContact CG2-CB 3.4Å; I537-Y546 CarbonylContact C-O 3.54Å; I537-Y546 WeakPolarHBondContact CA-O 3.3Å; I537-E547 HydrophobicContact CG1-CG 4.41Å
538I94.7Very high92.5Very high0 Ų044.5 Ų44.50%022%0.221CC..EExtended strand (participates in β ladder)trans-104117.1-178-54.6168.3000108.6L527 I528 A545 Y546 F557 V575 L577 Q580L527-I538 HydrophobicContact CD1-CG2 3.92Å; I528-I538 WeakPolarHBondContact O-CA 3.29Å; I538-A545 WeakPolarHBondContact O-CA 3.42Å; I538-Y546 HydrophobicContact CD1-CD1 4.4Å; I538-Y546 PolarHBondContact N-O 2.73Å; I538-Y546 PolarHBondContact O-N 3.27Å; I538-F557 HydrophobicContact CG2-CZ 4.48Å; I538-V575 HydrophobicContact CD1-CB 3.63Å; I538-V575 HydrophobicContact CD1-CG1 3.9Å; I538-V575 HydrophobicContact CD1-CG2 3.67Å; I538-L577 HydrophobicContact CG2-CD2 4.47Å; I538-Q580 HydrophobicContact CG2-CG 4.36Å; I538-Q580 PolarHBondContact O-NE2 3Å
539K94.6Very high92.4Very high17 Ų1749.7 Ų49.77%0.07426%0.255CS..EExtended strand (participates in β ladder)trans-122.9141.7-175.9-167.3174.2177.61190111F510 E512 I528 M530 K541 F543 A545F510-K539 HydrophobicContact CD1-CD 4.25Å; F510-K539 HydrophobicContact CD2-CD 4.05Å; F510-K539 HydrophobicContact CE1-CD 4.23Å; F510-K539 HydrophobicContact CE2-CD 4.03Å; F510-K539 HydrophobicContact CG-CD 4.18Å; F510-K539 HydrophobicContact CZ-CD 4.14Å; E512-K539 HydrophobicContact CG-CD 4.46Å; E512-K539 IonicContact OE1-NZ 2.97Å; E512-K539 PolarHBondContact OE1-NZ 3.05Å; I528-K539 HydrophobicContact CG2-CB 3.92Å; I528-K539 PolarHBondContact N-O 3.45Å; I528-K539 PolarHBondContact O-N 3.05Å; M530-K539 HydrophobicContact CE-CB 4Å; M530-K539 HydrophobicContact CE-CD 4.34Å; K539-K541 WeakPolarHBondContact CE-O 3.37Å; K539-F543 WeakPolarHBondContact CE-O 3.48Å; K539-F543 WeakPolarHBondContact CG-O 3.48Å; K539-F543 PolarHBondContact NZ-O 2.96Å; K539-A545 HydrophobicContact CB-CB 3.96Å; K539-A545 HydrophobicContact CD-CB 4.38Å; K539-A545 HydrophobicContact CG-CB 4.15Å
540L93.7Very high92.1Very high0 Ų051 Ų510%026%0.262CS..EExtended strand (participates in β ladder)trans-118.2118174.8179.171.9000108.4D526 L527 D542 F543 Q580 A584 L592 I596D526-L540 HydrophobicContact CB-CD1 3.91Å; L527-L540 HydrophobicContact CB-CD1 4.28Å; L527-L540 HydrophobicContact CD1-CB 4.38Å; L527-L540 HydrophobicContact CD1-CD1 4.25Å; L540-D542 PolarHBondContact O-N 3.47Å; L540-F543 HydrophobicContact CB-CD2 4.1Å; L540-F543 HydrophobicContact CD2-CD2 3.82Å; L540-F543 HydrophobicContact CD2-CE2 3.97Å; L540-F543 HydrophobicContact CG-CD2 3.94Å; L540-F543 HydrophobicContact CG-CE2 4.3Å; L540-F543 VanDerWaalsContact O-CB 3.3Å; L540-F543 WeakPolarHBondContact O-CB 3.44Å; L540-F543 WeakPolarHBondContact O-CD2 3.44Å; L540-F543 PolarHBondContact O-N 2.82Å; L540-Q580 HydrophobicContact CB-CB 4.3Å; L540-Q580 HydrophobicContact CB-CG 4.05Å; L540-Q580 HydrophobicContact CD2-CB 4.21Å; L540-A584 HydrophobicContact CD2-CB 4.04Å; L540-L592 HydrophobicContact CD1-CD1 4.29Å; L540-L592 HydrophobicContact CD1-CD2 4.15Å; L540-L592 HydrophobicContact CD1-CG 4.41Å; L540-L592 HydrophobicContact CD2-CD2 3.99Å; L540-L592 HydrophobicContact CD2-CG 4.42Å; L540-L592 HydrophobicContact CG-CD2 4.26Å; L540-I596 HydrophobicContact CD1-CD1 3.65Å; L540-I596 HydrophobicContact CD2-CD1 3.5Å; L540-I596 VanDerWaalsContact CD2-CD1 3.5Å; L540-I596 HydrophobicContact CG-CD1 4.22Å
541K89.5Confident91.8Very high64 Ų6453.8 Ų53.828%0.27828%0.28SS..THydrogen-bonded Turntrans45.3-127.1-175.2-60.5-169.9173.2-179.80111.9D526 K539 M589 L592D526-K541 HydrophobicContact CB-CG 3.69Å; D526-K541 PolarHBondContact O-N 3.33Å; D526-K541 WeakPolarHBondContact OD2-CE 3.37Å; D526-K541 IonicContact OD2-NZ 3.94Å; K539-K541 WeakPolarHBondContact CE-O 3.37Å; K541-M589 HydrophobicContact CD-SD 4.38Å; K541-L592 HydrophobicContact CD-CD2 4.23Å
542D85.8Confident91.6Very high111 Ų11154.7 Ų54.759%0.59429%0.289SS*.THydrogen-bonded Turntrans-95.64.9-178.9-52.9-29.4000112.3L540L540-D542 PolarHBondContact O-N 3.47Å
543F91.5Very high91.6Very high34 Ų3458 Ų5815%0.14931%0.306CS..SBendtrans-68.7157.4179.7-57.9-54.8000111.6K539 L540 A545 Q583 S587 M589K539-F543 WeakPolarHBondContact CE-O 3.48Å; K539-F543 WeakPolarHBondContact CG-O 3.48Å; K539-F543 PolarHBondContact NZ-O 2.96Å; L540-F543 HydrophobicContact CB-CD2 4.1Å; L540-F543 HydrophobicContact CD2-CD2 3.82Å; L540-F543 HydrophobicContact CD2-CE2 3.97Å; L540-F543 HydrophobicContact CG-CD2 3.94Å; L540-F543 HydrophobicContact CG-CE2 4.3Å; L540-F543 VanDerWaalsContact O-CB 3.3Å; L540-F543 WeakPolarHBondContact O-CB 3.44Å; L540-F543 WeakPolarHBondContact O-CD2 3.44Å; L540-F543 PolarHBondContact O-N 2.82Å; F543-A545 PolarHBondContact O-N 3.23Å; F543-Q583 HydrophobicContact CB-CB 4.46Å; F543-Q583 HydrophobicContact CD2-CB 4.29Å; F543-Q583 HydrophobicContact CG-CB 4.23Å; F543-S587 WeakPolarHBondContact CE1-OG 3.2Å; F543-S587 VanDerWaalsContact CZ-OG 3.27Å; F543-S587 WeakPolarHBondContact CZ-OG 3.09Å; F543-M589 HydrophobicContact CZ-CE 4.39Å; F543-M589 HydrophobicContact CZ-SD 4.32Å
544P91.2Very high91.9Very high82 Ų8252.9 Ų52.953%0.53228%0.28SS..PPolyproline II helixtrans-53.9138.5172-25.133.1000111.5Q583P544-Q583 PolarHBondContact O-NE2 3.48Å
545A90.3Very high91.9Very high29 Ų2947.6 Ų47.624%0.2426%0.258CS..PPolyproline II helixtrans-80.8148.9-178.700000112.1I537 I538 K539 F543I537-A545 HydrophobicContact CG2-CB 3.4Å; I537-A545 VanDerWaalsContact CG2-CB 3.4Å; I538-A545 WeakPolarHBondContact O-CA 3.42Å; K539-A545 HydrophobicContact CB-CB 3.96Å; K539-A545 HydrophobicContact CD-CB 4.38Å; K539-A545 HydrophobicContact CG-CB 4.15Å; F543-A545 PolarHBondContact O-N 3.23Å
546Y92.4Very high91.8Very high88 Ų8843.9 Ų43.935%0.34524%0.243SC..EExtended strand (participates in β ladder)trans-93.6127.3171.4179.9-103.2000110.2I537 I538 L548 Y579I537-Y546 CarbonylContact C-O 3.54Å; I537-Y546 WeakPolarHBondContact CA-O 3.3Å; I538-Y546 HydrophobicContact CD1-CD1 4.4Å; I538-Y546 PolarHBondContact N-O 2.73Å; I538-Y546 PolarHBondContact O-N 3.27Å; Y546-L548 HydrophobicContact CE1-CB 4.19Å; Y546-Y579 HydrophobicContact CD2-CD1 4.24Å; Y546-Y579 HydrophobicContact CD2-CD2 4.43Å; Y546-Y579 HydrophobicContact CD2-CG 4.03Å; Y546-Y579 HydrophobicContact CG-CD1 4.34Å; Y546-Y579 HydrophobicContact CG-CG 4.46Å
547E93Very high91.8Very high102 Ų10244 Ų4448%0.47724%0.243SC..EExtended strand (participates in β ladder)trans-102131.6179.1-60.8-172.5-175.300111.5K535 L536 I537K535-E547 WeakPolarHBondContact CD-OE2 3.18Å; K535-E547 IonicContact NZ-OE2 2.69Å; K535-E547 PolarHBondContact NZ-OE2 2.76Å; L536-E547 CarbonylContact O-C 3.51Å; L536-E547 WeakPolarHBondContact O-CA 3.17Å; I537-E547 HydrophobicContact CG1-CG 4.41Å
548L93.1Very high91.6Very high47 Ų4743.7 Ų43.725%0.24624%0.243CC..EExtended strand (participates in β ladder)trans-125.2123.5174.2-17975000109.2K535 L536 Y546 M550 V575K535-L548 CarbonylContact C-O 3.5Å; K535-L548 WeakPolarHBondContact CA-O 3.44Å; L536-L548 HydrophobicContact CB-CB 4.3Å; L536-L548 HydrophobicContact CD1-CD2 4.29Å; L536-L548 PolarHBondContact N-O 3.25Å; L536-L548 PolarHBondContact O-N 3.32Å; Y546-L548 HydrophobicContact CE1-CB 4.19Å; L548-M550 PolarHBondContact O-N 2.76Å; L548-M550 VanDerWaalsContact O-N 3.16Å; L548-V575 HydrophobicContact CD2-CG1 4.23Å
549P92.4Very high91.3Very high109 Ų10944 Ų4471%0.70825%0.247SC*.EExtended strand (participates in β ladder)trans-67.6114.7178.527.8-33.3000110.1
550M90.2Very high91.1Very high28 Ų2843.8 Ų43.814%0.13825%0.247CC..  trans-160.3117.8-179.7-146.5-69.4-67.300110.1E534 L536 L548 C564 V573E534-M550 CarbonylContact C-O 3.59Å; E534-M550 CarbonylContact O-C 3.52Å; E534-M550 VanDerWaalsContact O-C 3.24Å; E534-M550 PolarHBondContact O-N 3.32Å; E534-M550 VanDerWaalsContact O-O 3.12Å; L536-M550 HydrophobicContact CD1-CB 3.71Å; L536-M550 HydrophobicContact CD1-CE 3.81Å; L536-M550 HydrophobicContact CD1-CG 4.06Å; L536-M550 HydrophobicContact CD2-CE 4.31Å; L536-M550 HydrophobicContact CG-CB 3.82Å; L536-M550 HydrophobicContact CG-CE 4.18Å; L548-M550 PolarHBondContact O-N 2.76Å; L548-M550 VanDerWaalsContact O-N 3.16Å; M550-C564 HydrophobicContact CE-CB 3.3Å; M550-C564 WeakPolarHBondContact CE-SG 3.32Å; M550-V573 HydrophobicContact CE-CG2 4.09Å; M550-V573 HydrophobicContact CG-CG2 4.45Å; M550-V573 HydrophobicContact SD-CG2 4.32Å
551P90Very high91Very high58 Ų5846.3 Ų46.338%0.37726%0.259SS..  trans-76.2134.6-179.530.6-34.2000111.3E534E534-P551 HydrophobicContact CB-CB 4.36Å; E534-P551 HydrophobicContact CG-CB 4.44Å
552G89.3Confident91.2Very high19 Ų1943.2 Ų43.220%0.19625%0.245CC..SBendtrans139.4178.9175.100000112.8S531 L565S531-G552 WeakPolarHBondContact CB-O 3.49Å; G552-L565 WeakPolarHBondContact CA-O 3.38Å
553L92.4Very high91.5Very high75 Ų7538 Ų3839%0.39322%0.217SC..EExtended strand (participates in β ladder)trans-105.3128.3175.5-62171.6000109.1N516 S531 V555 C564 L565N516-L553 HydrophobicContact CB-CD2 3.63Å; S531-L553 WeakPolarHBondContact OG-CA 3.28Å; L553-V555 PolarHBondContact O-N 3.21Å; L553-C564 CarbonylContact O-C 3.57Å; L553-C564 WeakPolarHBondContact O-CA 3.36Å; L553-L565 PolarHBondContact N-O 3.39Å; L553-L565 PolarHBondContact O-N 3.49Å
554V94Very high91.6Very high3 Ų336.3 Ų36.32%0.01821%0.21CC..EExtended strand (participates in β ladder)trans-70.4126.6169.7173.10000109S517 A519 C529 S531 L536 V562S517-V554 WeakPolarHBondContact CB-O 3.15Å; S517-V554 PolarHBondContact OG-N 3.44Å; S517-V554 PolarHBondContact OG-O 3.44Å; A519-V554 HydrophobicContact CB-CG1 3.65Å; C529-V554 HydrophobicContact CB-CG1 4.39Å; S531-V554 PolarHBondContact OG-N 2.87Å; S531-V554 VanDerWaalsContact OG-N 3.08Å; L536-V554 HydrophobicContact CD2-CG2 3.09Å; V554-V562 HydrophobicContact CG1-CG1 3.99Å; V554-V562 HydrophobicContact CG2-CG1 3.8Å
555V90.9Very high91.5Very high39 Ų3933.1 Ų33.124%0.23619%0.188CC..EExtended strand (participates in β ladder)trans-115.3-19.3178.3-1630000111.4L303 L553 F563 L565 M570L303-V555 HydrophobicContact CB-CG1 4.23Å; L303-V555 HydrophobicContact CD2-CB 4.05Å; L303-V555 HydrophobicContact CD2-CG1 3.61Å; L303-V555 WeakPolarHBondContact CD2-O 3.44Å; L553-V555 PolarHBondContact O-N 3.21Å; V555-F563 PolarHBondContact N-O 2.72Å; V555-L565 HydrophobicContact CG2-CB 3.71Å; V555-M570 HydrophobicContact CB-CE 4.42Å
556G91.3Very high91.4Very high2 Ų235 Ų352%0.02119%0.194CC..EExtended strand (participates in β ladder)trans-163.5157.9176.100000113F563G556-F563 PolarHBondContact N-O 3.01Å; G556-F563 PolarHBondContact O-N 3.01Å
557F93.9Very high90.9Very high1 Ų133.9 Ų33.90%0.00420%0.203CC..EExtended strand (participates in β ladder)trans-142.1116.9178.3-174.2-164.6000109.7A519 N521 R522 L527 C529 I538 G559 Q561 V562 V575 L577A519-F557 HydrophobicContact CB-CB 4.15Å; N521-F557 WeakPolarHBondContact CA-O 3.46Å; N521-F557 HydrophobicContact CB-CD1 3.7Å; N521-F557 HydrophobicContact CB-CE1 3.97Å; N521-F557 HydrophobicContact CB-CG 4.15Å; N521-F557 VanDerWaalsContact ND2-CD2 3.31Å; N521-F557 WeakPolarHBondContact ND2-CD2 3.45Å; N521-F557 WeakPolarHBondContact ND2-CE1 3.4Å; N521-F557 WeakPolarHBondContact ND2-CE2 3.13Å; N521-F557 VanDerWaalsContact ND2-CZ 3.28Å; N521-F557 WeakPolarHBondContact ND2-CZ 3.37Å; R522-F557 PolarHBondContact N-O 2.91Å; L527-F557 HydrophobicContact CD1-CE1 4.44Å; L527-F557 HydrophobicContact CD2-CE1 3.84Å; L527-F557 HydrophobicContact CD2-CZ 3.71Å; L527-F557 HydrophobicContact CG-CE1 3.65Å; L527-F557 HydrophobicContact CG-CZ 4.01Å; C529-F557 HydrophobicContact CB-CB 4.31Å; C529-F557 HydrophobicContact CB-CD1 3.47Å; C529-F557 VanDerWaalsContact CB-CD1 3.47Å; C529-F557 HydrophobicContact CB-CE1 3.74Å; C529-F557 HydrophobicContact CB-CG 3.94Å; C529-F557 HydrophobicContact CB-CZ 4.46Å; I538-F557 HydrophobicContact CG2-CZ 4.48Å; F557-G559 WeakPolarHBondContact CE2-O 3.45Å; F557-Q561 WeakPolarHBondContact CD2-O 3.33Å; F557-V562 HydrophobicContact CD2-CG2 3.67Å; F557-V562 HydrophobicContact CE2-CG2 3.76Å; F557-V562 HydrophobicContact CG-CG2 4.4Å; F557-V575 HydrophobicContact CE2-CG2 4.08Å; F557-V575 HydrophobicContact CZ-CG2 4.38Å; F557-L577 HydrophobicContact CZ-CD2 4.28Å
558A89.6Confident90.2Very high10 Ų1036.5 Ų36.58%0.08321%0.21CC..EExtended strand (participates in β ladder)trans-137.5113.6-177.600000110.3R522 S560 Q561 F563R522-A558 HydrophobicContact CB-CB 4.47Å; A558-S560 PolarHBondContact O-N 3.41Å; A558-Q561 PolarHBondContact N-O 2.93Å; A558-Q561 PolarHBondContact O-N 3.45Å; A558-F563 HydrophobicContact CB-CE2 4.32Å; A558-F563 HydrophobicContact CB-CZ 4.48Å
559G88.3Confident89.7Confident7 Ų738.8 Ų38.87%0.07223%0.226CC..THydrogen-bonded Turntrans66.5-130.7-177.400000110.6N521 H523 F557 Q561N521-G559 PolarHBondContact ND2-O 3.26Å; N521-G559 PolarHBondContact OD1-N 3.47Å; H523-G559 PolarHBondContact ND1-N 3.09Å; F557-G559 WeakPolarHBondContact CE2-O 3.45Å; G559-Q561 VanDerWaalsContact C-N 3.33Å
560S90.4Very high89.6Confident11 Ų1134.9 Ų34.98%0.07720%0.198CC..THydrogen-bonded Turntrans-83.8-1.2170.561.50000114A558 V575 L599A558-S560 PolarHBondContact O-N 3.41Å; S560-V575 WeakPolarHBondContact O-CG2 3.5Å; S560-V575 PolarHBondContact O-N 3.44Å; S560-L599 PolarHBondContact N-O 3.47Å
561Q91.7Very high89.5Confident53 Ų5335.6 Ų35.625%0.24821%0.206CC..EExtended strand (participates in β ladder)trans-102.2125.1-172.7-62.9-178.1-5.500112.2F557 A558 G559 F563F557-Q561 WeakPolarHBondContact CD2-O 3.33Å; A558-Q561 PolarHBondContact N-O 2.93Å; A558-Q561 PolarHBondContact O-N 3.45Å; G559-Q561 VanDerWaalsContact C-N 3.33Å; Q561-F563 HydrophobicContact CB-CE1 4.25Å
562V93Very high89.6Confident0 Ų036.2 Ų36.20%021%0.209CC..EExtended strand (participates in β ladder)trans-105.8129.2175.1-172.90000109.3C529 L536 V554 F557 C564 V573 V575C529-V562 HydrophobicContact CB-CG1 4.5Å; C529-V562 HydrophobicContact CB-CG2 4.46Å; L536-V562 HydrophobicContact CD2-CG1 4.44Å; V554-V562 HydrophobicContact CG1-CG1 3.99Å; V554-V562 HydrophobicContact CG2-CG1 3.8Å; F557-V562 HydrophobicContact CD2-CG2 3.67Å; F557-V562 HydrophobicContact CE2-CG2 3.76Å; F557-V562 HydrophobicContact CG-CG2 4.4Å; V562-C564 VanDerWaalsContact CG1-SG 3.56Å; V562-V573 PolarHBondContact N-O 2.91Å; V562-V573 PolarHBondContact O-N 2.8Å; V562-V575 HydrophobicContact CB-CG1 4.43Å; V562-V575 HydrophobicContact CG2-CB 4.37Å; V562-V575 HydrophobicContact CG2-CG1 3.68Å; V562-V575 HydrophobicContact CG2-CG2 3.71Å
563F93.4Very high89.6Confident0 Ų036.7 Ų36.70%021%0.208CC..EExtended strand (participates in β ladder)trans-97.1111.6-179.4-60.8-32.1000109.4D306 L322 I323 V555 G556 A558 Q561 M570 T572D306-F563 HydrophobicContact CB-CE2 4.45Å; D306-F563 HydrophobicContact CB-CZ 4.29Å; L322-F563 HydrophobicContact CB-CD1 4.22Å; L322-F563 HydrophobicContact CB-CE1 3.83Å; L322-F563 HydrophobicContact CB-CZ 4.15Å; L322-F563 HydrophobicContact CD1-CB 4.1Å; L322-F563 HydrophobicContact CD1-CD1 3.74Å; L322-F563 HydrophobicContact CD1-CD2 3.84Å; L322-F563 HydrophobicContact CD1-CE1 4.05Å; L322-F563 HydrophobicContact CD1-CE2 4.16Å; L322-F563 HydrophobicContact CD1-CG 3.62Å; L322-F563 HydrophobicContact CD1-CZ 4.26Å; I323-F563 HydrophobicContact CG1-CZ 4.3Å; V555-F563 PolarHBondContact N-O 2.72Å; G556-F563 PolarHBondContact N-O 3.01Å; G556-F563 PolarHBondContact O-N 3.01Å; A558-F563 HydrophobicContact CB-CE2 4.32Å; A558-F563 HydrophobicContact CB-CZ 4.48Å; Q561-F563 HydrophobicContact CB-CE1 4.25Å; F563-M570 HydrophobicContact CB-CE 3.46Å; F563-M570 VanDerWaalsContact CB-CE 3.46Å; F563-M570 HydrophobicContact CG-CE 4.44Å; F563-T572 HydrophobicContact CD1-CG2 3.67Å; F563-T572 HydrophobicContact CE1-CG2 3.74Å
564C92.2Very high89.5Confident0 Ų040.1 Ų40.10%022%0.222CC..EExtended strand (participates in β ladder)trans-118.4131.1-172.2-59.70000111.8M550 L553 V562 M570 S571M550-C564 HydrophobicContact CE-CB 3.3Å; M550-C564 WeakPolarHBondContact CE-SG 3.32Å; L553-C564 CarbonylContact O-C 3.57Å; L553-C564 WeakPolarHBondContact O-CA 3.36Å; V562-C564 VanDerWaalsContact CG1-SG 3.56Å; C564-M570 WeakPolarHBondContact O-CA 3.48Å; C564-S571 PolarHBondContact N-O 3.4Å; C564-S571 PolarHBondContact O-N 2.61Å; C564-S571 PolarHBondContact O-OG 3.31Å
565L90.3Very high89.4Confident14 Ų1440.2 Ų40.27%0.07322%0.223CC..EExtended strand (participates in β ladder)trans-105.6112.5176.3-177.869.7000109.3Y308 G552 L553 V555 M570Y308-L565 WeakPolarHBondContact OH-CD1 3.43Å; G552-L565 WeakPolarHBondContact CA-O 3.38Å; L553-L565 PolarHBondContact N-O 3.39Å; L553-L565 PolarHBondContact O-N 3.49Å; V555-L565 HydrophobicContact CG2-CB 3.71Å; L565-M570 HydrophobicContact CB-SD 3.9Å; L565-M570 HydrophobicContact CD1-SD 4.03Å
566N88.5Confident89.4Confident68 Ų6842 Ų4236%0.36424%0.237SC..EExtended strand (participates in β ladder)trans-109.7109.4173.4-170.86.9000109.9Y568 T569N566-Y568 VanDerWaalsContact C-N 3.33Å; N566-Y568 PolarHBondContact O-N 3.3Å; N566-T569 PolarHBondContact N-O 2.69Å; N566-T569 PolarHBondContact O-N 3.16Å; N566-T569 PolarHBondContact O-OG1 2.7Å; N566-T569 VanDerWaalsContact O-OG1 3.11Å
567A80.7Confident89.4Confident65 Ų6542 Ų4254%0.53724%0.236SC..THydrogen-bonded Turntrans52.7-85.5-172.100000113.7
568Y78.1Confident89.3Confident158 Ų15844.8 Ų44.862%0.6225%0.25SC*.THydrogen-bonded Turntrans-121.9-8.5-178.6-51.1-71.7000113.6T299 N566T299-Y568 HydrophobicContact CG2-CD1 4.5Å; N566-Y568 VanDerWaalsContact C-N 3.33Å; N566-Y568 PolarHBondContact O-N 3.3Å
569T83.6Confident89.4Confident94 Ų9448.6 Ų48.658%0.57726%0.262SS*.EExtended strand (participates in β ladder)trans-101.6132.7-176.956.70000110.5N566N566-T569 PolarHBondContact N-O 2.69Å; N566-T569 PolarHBondContact O-N 3.16Å; N566-T569 PolarHBondContact O-OG1 2.7Å; N566-T569 VanDerWaalsContact O-OG1 3.11Å
570M89Confident89.6Confident27 Ų2748.3 Ų48.313%0.13326%0.259CS..EExtended strand (participates in β ladder)trans-102122.3176.1-167.368.2-170.800108.6Y308 L322 V555 F563 C564 L565Y308-M570 HydrophobicContact CD1-CB 3.76Å; Y308-M570 HydrophobicContact CD1-CG 3.77Å; Y308-M570 HydrophobicContact CD2-CG 4.17Å; Y308-M570 HydrophobicContact CD2-SD 4.2Å; Y308-M570 HydrophobicContact CE1-CB 3.45Å; Y308-M570 VanDerWaalsContact CE1-CB 3.45Å; Y308-M570 HydrophobicContact CE1-CG 3.85Å; Y308-M570 HydrophobicContact CE2-CG 4.24Å; Y308-M570 HydrophobicContact CE2-SD 4Å; Y308-M570 HydrophobicContact CG-CB 4.42Å; Y308-M570 HydrophobicContact CG-CG 3.94Å; L322-M570 HydrophobicContact CD1-CE 3.83Å; L322-M570 HydrophobicContact CD1-CG 4.49Å; L322-M570 HydrophobicContact CD2-CG 3.72Å; V555-M570 HydrophobicContact CB-CE 4.42Å; F563-M570 HydrophobicContact CB-CE 3.46Å; F563-M570 VanDerWaalsContact CB-CE 3.46Å; F563-M570 HydrophobicContact CG-CE 4.44Å; C564-M570 WeakPolarHBondContact O-CA 3.48Å; L565-M570 HydrophobicContact CB-SD 3.9Å; L565-M570 HydrophobicContact CD1-SD 4.03Å
571S89.3Confident89.7Confident44 Ų4447.8 Ų47.831%0.30826%0.255SS..EExtended strand (participates in β ladder)trans-118.8147.717859.90000111.4C564C564-S571 PolarHBondContact N-O 3.4Å; C564-S571 PolarHBondContact O-N 2.61Å; C564-S571 PolarHBondContact O-OG 3.31Å
572T91.3Very high89.7Confident70 Ų7050.9 Ų50.943%0.42927%0.265SS..EExtended strand (participates in β ladder)trans-102.9116.816953.20000107.9L322 F563L322-T572 HydrophobicContact CB-CG2 3.76Å; L322-T572 HydrophobicContact CD2-CG2 4.35Å; L322-T572 WeakPolarHBondContact O-CG2 3.44Å; F563-T572 HydrophobicContact CD1-CG2 3.67Å; F563-T572 HydrophobicContact CE1-CG2 3.74Å
573V90.5Very high89.7Confident29 Ų2951.6 Ų51.618%0.17627%0.268CS..EExtended strand (participates in β ladder)trans-109.6118-179-179.20000108.1L536 M550 V562 V575L536-V573 HydrophobicContact CD1-CG1 4.5Å; M550-V573 HydrophobicContact CE-CG2 4.09Å; M550-V573 HydrophobicContact CG-CG2 4.45Å; M550-V573 HydrophobicContact SD-CG2 4.32Å; V562-V573 PolarHBondContact N-O 2.91Å; V562-V573 PolarHBondContact O-N 2.8Å; V573-V575 HydrophobicContact CG1-CG1 4.12Å
574E90.3Very high89.6Confident147 Ų14751.6 Ų51.669%0.68727%0.268SS*.EExtended strand (participates in β ladder)trans-80.8121.1172-170.9169.2-165.600109.5
575V91Very high89.6Confident5 Ų552.1 Ų52.13%0.0327%0.271CS..  trans-107.4135.1-177.5-62.40000110.6I538 L548 F557 S560 V562 V573 L577I538-V575 HydrophobicContact CD1-CB 3.63Å; I538-V575 HydrophobicContact CD1-CG1 3.9Å; I538-V575 HydrophobicContact CD1-CG2 3.67Å; L548-V575 HydrophobicContact CD2-CG1 4.23Å; F557-V575 HydrophobicContact CE2-CG2 4.08Å; F557-V575 HydrophobicContact CZ-CG2 4.38Å; S560-V575 WeakPolarHBondContact O-CG2 3.5Å; S560-V575 PolarHBondContact O-N 3.44Å; V562-V575 HydrophobicContact CB-CG1 4.43Å; V562-V575 HydrophobicContact CG2-CB 4.37Å; V562-V575 HydrophobicContact CG2-CG1 3.68Å; V562-V575 HydrophobicContact CG2-CG2 3.71Å; V573-V575 HydrophobicContact CG1-CG1 4.12Å; V575-L577 HydrophobicContact CG2-CD2 4.12Å; V575-L577 PolarHBondContact O-N 2.91Å
576S90.2Very high89.6Confident77 Ų7758.4 Ų58.454%0.53830%0.3SS..  trans-72.9125.2173.1179.50000110.3
577L91.8Very high89.7Confident1 Ų157.4 Ų57.41%0.00530%0.299CS..  trans-96.211.6179.1-59.5176.9000113.2L527 I538 F557 V575 Y579 Q580 I581 I596 L599L527-L577 HydrophobicContact CD2-CD1 4.31Å; L527-L577 HydrophobicContact CD2-CD2 4.14Å; I538-L577 HydrophobicContact CG2-CD2 4.47Å; F557-L577 HydrophobicContact CZ-CD2 4.28Å; V575-L577 HydrophobicContact CG2-CD2 4.12Å; V575-L577 PolarHBondContact O-N 2.91Å; L577-Y579 VanDerWaalsContact C-N 3.3Å; L577-Y579 PolarHBondContact O-N 3.44Å; L577-Q580 PolarHBondContact O-N 2.74Å; L577-Q580 PolarHBondContact O-OE1 2.55Å; L577-I581 WeakPolarHBondContact O-CG1 3.23Å; L577-I581 PolarHBondContact O-N 3.32Å; L577-I581 VanDerWaalsContact O-N 3.14Å; L577-I596 HydrophobicContact CB-CG2 3.86Å; L577-I596 HydrophobicContact CD1-CG2 4.02Å; L577-I596 HydrophobicContact CG-CG2 4.5Å; L577-L599 HydrophobicContact CD1-CB 3.9Å; L577-L599 HydrophobicContact CD1-CD1 3.92Å
578Q91.4Very high90.1Very high61 Ų6161 Ų6129%0.28531%0.305SS..Hα-helixtrans-58.4-40.3-177.3175.417050.800112.6I581 R582 D605Q578-I581 PolarHBondContact O-N 3.46Å; Q578-R582 WeakPolarHBondContact O-CG 3.33Å; Q578-R582 PolarHBondContact O-N 2.89Å; Q578-D605 VanDerWaalsContact CD-OD1 3.31Å; Q578-D605 VanDerWaalsContact CG-OD1 3.25Å; Q578-D605 WeakPolarHBondContact CG-OD1 3.34Å; Q578-D605 PolarHBondContact NE2-OD1 2.87Å
579Y92Very high90.7Very high90 Ų9057 Ų5735%0.35329%0.293SS..Hα-helixtrans-62.6-45.1-178.9-177.9-101.3000111.6Y546 L577 I581 R582 Q583Y546-Y579 HydrophobicContact CD2-CD1 4.24Å; Y546-Y579 HydrophobicContact CD2-CD2 4.43Å; Y546-Y579 HydrophobicContact CD2-CG 4.03Å; Y546-Y579 HydrophobicContact CG-CD1 4.34Å; Y546-Y579 HydrophobicContact CG-CG 4.46Å; L577-Y579 VanDerWaalsContact C-N 3.3Å; L577-Y579 PolarHBondContact O-N 3.44Å; Y579-I581 VanDerWaalsContact C-N 3.35Å; Y579-I581 PolarHBondContact O-N 2.87Å; Y579-R582 PolarHBondContact O-N 3.47Å; Y579-Q583 VanDerWaalsContact CE1-CD 3.42Å; Y579-Q583 HydrophobicContact CE1-CG 4.29Å; Y579-Q583 VanDerWaalsContact CZ-NE2 3.26Å; Y579-Q583 WeakPolarHBondContact O-CG 3.45Å; Y579-Q583 PolarHBondContact O-N 3.03Å; Y579-Q583 VanDerWaalsContact O-N 3.09Å; Y579-Q583 PolarHBondContact OH-NE2 3.37Å
580Q93.1Very high91Very high0 Ų052.6 Ų52.60%027%0.265CS..Hα-helixtrans-66.8-36179.1-68.47419.500111.8L527 I538 L540 L577 Q583 A584 I596L527-Q580 HydrophobicContact CD1-CG 4.08Å; I538-Q580 HydrophobicContact CG2-CG 4.36Å; I538-Q580 PolarHBondContact O-NE2 3Å; L540-Q580 HydrophobicContact CB-CB 4.3Å; L540-Q580 HydrophobicContact CB-CG 4.05Å; L540-Q580 HydrophobicContact CD2-CB 4.21Å; L577-Q580 PolarHBondContact O-N 2.74Å; L577-Q580 PolarHBondContact O-OE1 2.55Å; Q580-Q583 PolarHBondContact O-N 3Å; Q580-A584 WeakPolarHBondContact O-CB 3.4Å; Q580-A584 PolarHBondContact O-N 2.71Å; Q580-I596 HydrophobicContact CB-CD1 4.49Å
581I92.2Very high91.2Very high0 Ų057.3 Ų57.30%029%0.29CS..Hα-helixtrans-64.5-45.6175.4-69.3164.6000110.8L577 Q578 Y579 Q583 A584 V585 I596 A597 T601 V609L577-I581 WeakPolarHBondContact O-CG1 3.23Å; L577-I581 PolarHBondContact O-N 3.32Å; L577-I581 VanDerWaalsContact O-N 3.14Å; Q578-I581 PolarHBondContact O-N 3.46Å; Y579-I581 VanDerWaalsContact C-N 3.35Å; Y579-I581 PolarHBondContact O-N 2.87Å; I581-Q583 VanDerWaalsContact C-N 3.34Å; I581-Q583 PolarHBondContact O-N 2.97Å; I581-A584 PolarHBondContact O-N 3.12Å; I581-V585 HydrophobicContact CG2-CG2 4.33Å; I581-V585 WeakPolarHBondContact O-CB 3.23Å; I581-V585 VanDerWaalsContact O-CG2 3.26Å; I581-V585 WeakPolarHBondContact O-CG2 2.97Å; I581-V585 PolarHBondContact O-N 2.97Å; I581-I596 HydrophobicContact CD1-CG2 4.07Å; I581-I596 HydrophobicContact CG1-CB 4.02Å; I581-I596 HydrophobicContact CG1-CG2 3.62Å; I581-A597 HydrophobicContact CD1-CB 4.18Å; I581-T601 HydrophobicContact CD1-CG2 3.34Å; I581-V609 HydrophobicContact CG2-CG2 3.43Å; I581-V609 VanDerWaalsContact CG2-CG2 3.43Å
582R92.7Very high91.3Very high119 Ų11956.1 Ų56.145%0.44928%0.28SS..Hα-helixtrans-61.9-42.2177.9-71.1-178.1-177.9-172.93.4112Q578 Y579 V585 Q586 Y608Q578-R582 WeakPolarHBondContact O-CG 3.33Å; Q578-R582 PolarHBondContact O-N 2.89Å; Y579-R582 PolarHBondContact O-N 3.47Å; R582-V585 PolarHBondContact O-N 2.73Å; R582-Q586 WeakPolarHBondContact O-CB 3.47Å; R582-Q586 VanDerWaalsContact O-CG 3.26Å; R582-Q586 WeakPolarHBondContact O-CG 3.37Å; R582-Q586 PolarHBondContact O-N 3.35Å; R582-Y608 HydrophobicContact CB-CE1 4.45Å; R582-Y608 HydrophobicContact CG-CD1 4.32Å; R582-Y608 HydrophobicContact CG-CE1 3.92Å
583Q92.4Very high91.3Very high14 Ų1452.8 Ų52.87%0.06526%0.26CS..Hα-helixtrans-61.3-45.5174.7-71.2177.9-32.500112.4F543 P544 Y579 Q580 I581 V585 Q586 S587F543-Q583 HydrophobicContact CB-CB 4.46Å; F543-Q583 HydrophobicContact CD2-CB 4.29Å; F543-Q583 HydrophobicContact CG-CB 4.23Å; P544-Q583 PolarHBondContact O-NE2 3.48Å; Y579-Q583 VanDerWaalsContact CE1-CD 3.42Å; Y579-Q583 HydrophobicContact CE1-CG 4.29Å; Y579-Q583 VanDerWaalsContact CZ-NE2 3.26Å; Y579-Q583 WeakPolarHBondContact O-CG 3.45Å; Y579-Q583 PolarHBondContact O-N 3.03Å; Y579-Q583 VanDerWaalsContact O-N 3.09Å; Y579-Q583 PolarHBondContact OH-NE2 3.37Å; Q580-Q583 PolarHBondContact O-N 3Å; I581-Q583 VanDerWaalsContact C-N 3.34Å; I581-Q583 PolarHBondContact O-N 2.97Å; Q583-V585 VanDerWaalsContact C-N 3.33Å; Q583-V585 PolarHBondContact O-N 3.42Å; Q583-Q586 PolarHBondContact O-N 3.47Å; Q583-S587 WeakPolarHBondContact O-CB 3.18Å; Q583-S587 PolarHBondContact O-N 2.91Å; Q583-S587 PolarHBondContact O-OG 2.94Å
584A91.5Very high91.4Very high0 Ų054.2 Ų54.20%026%0.263CS..Hα-helixtrans-64-38.7178.600000112.1L540 Q580 I581 S587 E588 M589 A593L540-A584 HydrophobicContact CD2-CB 4.04Å; Q580-A584 WeakPolarHBondContact O-CB 3.4Å; Q580-A584 PolarHBondContact O-N 2.71Å; I581-A584 PolarHBondContact O-N 3.12Å; A584-S587 PolarHBondContact O-N 3.39Å; A584-E588 PolarHBondContact O-N 3.48Å; A584-M589 WeakPolarHBondContact O-CA 3.45Å; A584-M589 PolarHBondContact O-N 2.87Å; A584-A593 HydrophobicContact CB-CB 3.86Å
585V91.8Very high91.4Very high11 Ų1149.4 Ų49.47%0.06725%0.245CC..Hα-helixtrans-67.9-45.8175.7169.80000111.7I581 R582 Q583 S587 E588 L590 A593 Y608 V609 S612I581-V585 HydrophobicContact CG2-CG2 4.33Å; I581-V585 WeakPolarHBondContact O-CB 3.23Å; I581-V585 VanDerWaalsContact O-CG2 3.26Å; I581-V585 WeakPolarHBondContact O-CG2 2.97Å; I581-V585 PolarHBondContact O-N 2.97Å; R582-V585 PolarHBondContact O-N 2.73Å; Q583-V585 VanDerWaalsContact C-N 3.33Å; Q583-V585 PolarHBondContact O-N 3.42Å; V585-S587 PolarHBondContact O-N 3.5Å; V585-E588 PolarHBondContact O-N 2.93Å; V585-L590 HydrophobicContact CG2-CD2 4.33Å; V585-A593 HydrophobicContact CG2-CB 3.68Å; V585-Y608 HydrophobicContact CB-CE1 3.79Å; V585-Y608 HydrophobicContact CG1-CD1 4.4Å; V585-Y608 HydrophobicContact CG1-CE1 3.59Å; V585-Y608 HydrophobicContact CG2-CD1 4.29Å; V585-Y608 HydrophobicContact CG2-CE1 4.01Å; V585-V609 HydrophobicContact CG2-CG2 4.2Å; V585-S612 VanDerWaalsContact CG1-OG 3.28Å; V585-S612 WeakPolarHBondContact CG1-OG 3.28Å
586Q90.7Very high91.4Very high146 Ų14649.1 Ų49.168%0.68224%0.243SC*.Hα-helixtrans-60.7-28.1176.9-76.1174.3-1200112.7R582 Q583 E588R582-Q586 WeakPolarHBondContact O-CB 3.47Å; R582-Q586 VanDerWaalsContact O-CG 3.26Å; R582-Q586 WeakPolarHBondContact O-CG 3.37Å; R582-Q586 PolarHBondContact O-N 3.35Å; Q583-Q586 PolarHBondContact O-N 3.47Å; Q586-E588 VanDerWaalsContact C-N 3.3Å
587S90.5Very high91.4Very high48 Ų4845.5 Ų45.534%0.33622%0.218SC..THydrogen-bonded Turntrans-90.713.1175.9-50.50000113.3F543 Q583 A584 V585 M589F543-S587 WeakPolarHBondContact CE1-OG 3.2Å; F543-S587 VanDerWaalsContact CZ-OG 3.27Å; F543-S587 WeakPolarHBondContact CZ-OG 3.09Å; Q583-S587 WeakPolarHBondContact O-CB 3.18Å; Q583-S587 PolarHBondContact O-N 2.91Å; Q583-S587 PolarHBondContact O-OG 2.94Å; A584-S587 PolarHBondContact O-N 3.39Å; V585-S587 PolarHBondContact O-N 3.5Å; S587-M589 WeakPolarHBondContact O-CG 3.43Å; S587-M589 PolarHBondContact O-N 3.14Å
588E88.6Confident91.3Very high141 Ų14148.4 Ų48.466%0.65924%0.238SC*.THydrogen-bonded Turntrans58.512.5-178.8-57-175.1173.500115.6A584 V585 Q586 L590 K618A584-E588 PolarHBondContact O-N 3.48Å; V585-E588 PolarHBondContact O-N 2.93Å; Q586-E588 VanDerWaalsContact C-N 3.3Å; E588-L590 PolarHBondContact O-N 3.29Å; E588-K618 PolarHBondContact O-NZ 3.31Å
589M91.3Very high91.2Very high74 Ų7446.8 Ų46.837%0.36523%0.231SC..  trans-83.861.6178.8-60.8-168.5-169.400111.6K541 F543 A584 S587 L591 L592 A593K541-M589 HydrophobicContact CD-SD 4.38Å; F543-M589 HydrophobicContact CZ-CE 4.39Å; F543-M589 HydrophobicContact CZ-SD 4.32Å; A584-M589 WeakPolarHBondContact O-CA 3.45Å; A584-M589 PolarHBondContact O-N 2.87Å; S587-M589 WeakPolarHBondContact O-CG 3.43Å; S587-M589 PolarHBondContact O-N 3.14Å; M589-L591 VanDerWaalsContact C-N 3.34Å; M589-L591 PolarHBondContact O-N 3.16Å; M589-L592 HydrophobicContact CB-CB 4.16Å; M589-L592 WeakPolarHBondContact O-CB 3.37Å; M589-L592 PolarHBondContact O-N 3.25Å; M589-L592 VanDerWaalsContact O-N 3.12Å; M589-L592 HydrophobicContact SD-CD2 4.25Å; M589-A593 PolarHBondContact O-N 2.94Å
590L90.6Very high90.6Very high1 Ų144 Ų441%0.00523%0.229CC..Hα-helixtrans-64-31.8-171.8-67167.5000114.8V585 E588 L592 A593 Y594 A613 C616 K618 I621V585-L590 HydrophobicContact CG2-CD2 4.33Å; E588-L590 PolarHBondContact O-N 3.29Å; L590-L592 VanDerWaalsContact C-N 3.34Å; L590-A593 PolarHBondContact O-N 2.93Å; L590-Y594 WeakPolarHBondContact O-CB 3.31Å; L590-Y594 PolarHBondContact O-N 2.91Å; L590-A613 HydrophobicContact CD1-CB 4.2Å; L590-A613 HydrophobicContact CD2-CB 4.34Å; L590-C616 HydrophobicContact CD1-CB 3.55Å; L590-K618 HydrophobicContact CB-CD 4.1Å; L590-K618 HydrophobicContact CD1-CB 4.21Å; L590-K618 HydrophobicContact CD1-CD 3.55Å; L590-K618 HydrophobicContact CD1-CG 3.97Å; L590-K618 HydrophobicContact CG-CD 4.41Å; L590-I621 HydrophobicContact CB-CD1 3.78Å
591L91.5Very high90Very high125 Ų12545.6 Ų45.665%0.65424%0.239SC*.Hα-helixtrans-65.8-39.3175.1-74.9171.2000111.5M589 Y594 S595 I621M589-L591 VanDerWaalsContact C-N 3.34Å; M589-L591 PolarHBondContact O-N 3.16Å; L591-Y594 PolarHBondContact O-N 2.99Å; L591-S595 PolarHBondContact O-N 3.22Å; L591-I621 HydrophobicContact CD2-CD1 3.63Å; L591-I621 HydrophobicContact CD2-CG1 4.11Å; L591-I621 HydrophobicContact CG-CD1 3.91Å
592L92Very high89.7Confident19 Ų1948.5 Ų48.510%0.09926%0.259CS..Hα-helixtrans-67.5-46.3176.1-178.460.9000110.2D526 L540 K541 M589 L590 Y594 S595 I596D526-L592 HydrophobicContact CB-CD1 4.22Å; L540-L592 HydrophobicContact CD1-CD1 4.29Å; L540-L592 HydrophobicContact CD1-CD2 4.15Å; L540-L592 HydrophobicContact CD1-CG 4.41Å; L540-L592 HydrophobicContact CD2-CD2 3.99Å; L540-L592 HydrophobicContact CD2-CG 4.42Å; L540-L592 HydrophobicContact CG-CD2 4.26Å; K541-L592 HydrophobicContact CD-CD2 4.23Å; M589-L592 HydrophobicContact CB-CB 4.16Å; M589-L592 WeakPolarHBondContact O-CB 3.37Å; M589-L592 PolarHBondContact O-N 3.25Å; M589-L592 VanDerWaalsContact O-N 3.12Å; M589-L592 HydrophobicContact SD-CD2 4.25Å; L590-L592 VanDerWaalsContact C-N 3.34Å; L592-Y594 VanDerWaalsContact C-N 3.3Å; L592-Y594 PolarHBondContact O-N 3.28Å; L592-S595 PolarHBondContact O-N 2.84Å; L592-S595 VanDerWaalsContact O-N 3.12Å; L592-S595 PolarHBondContact O-OG 3.3Å; L592-I596 HydrophobicContact CD1-CD1 4.22Å; L592-I596 HydrophobicContact CD1-CG1 4.44Å; L592-I596 HydrophobicContact CG-CD1 4Å; L592-I596 VanDerWaalsContact O-CG1 3.31Å; L592-I596 WeakPolarHBondContact O-CG1 3.32Å; L592-I596 PolarHBondContact O-N 3.32Å
593A91.8Very high89.3Confident0 Ų047.7 Ų47.70%027%0.267CS..Hα-helixtrans-55.9-44174.900000112.2A584 V585 M589 L590 I596 A597 V609A584-A593 HydrophobicContact CB-CB 3.86Å; V585-A593 HydrophobicContact CG2-CB 3.68Å; M589-A593 PolarHBondContact O-N 2.94Å; L590-A593 PolarHBondContact O-N 2.93Å; A593-I596 PolarHBondContact O-N 3.08Å; A593-A597 WeakPolarHBondContact O-CB 3.28Å; A593-A597 PolarHBondContact O-N 3.42Å; A593-V609 HydrophobicContact CB-CG2 4.39Å
594Y92Very high89.1Confident60 Ų6049.4 Ų49.424%0.23528%0.284CS..Hα-helixtrans-61.1-46.9174.6177.6-97000112.1L590 L591 L592 I596 A597 C598 W606 I621 K624L590-Y594 WeakPolarHBondContact O-CB 3.31Å; L590-Y594 PolarHBondContact O-N 2.91Å; L591-Y594 PolarHBondContact O-N 2.99Å; L592-Y594 VanDerWaalsContact C-N 3.3Å; L592-Y594 PolarHBondContact O-N 3.28Å; Y594-I596 VanDerWaalsContact C-N 3.3Å; Y594-I596 PolarHBondContact O-N 3.01Å; Y594-A597 WeakPolarHBondContact O-CB 3.4Å; Y594-A597 PolarHBondContact O-N 3.11Å; Y594-A597 VanDerWaalsContact O-N 3.16Å; Y594-C598 PolarHBondContact O-N 2.96Å; Y594-C598 PolarHBondContact O-SG 3.1Å; Y594-C598 VanDerWaalsContact O-SG 3.36Å; Y594-W606 HydrophobicContact CD2-CH2 4.04Å; Y594-W606 AromaticContact CD2-CZ3 3.63Å; Y594-W606 HydrophobicContact CD2-CZ3 3.63Å; Y594-W606 AromaticContact CE2-CH2 3.83Å; Y594-W606 HydrophobicContact CE2-CH2 3.83Å; Y594-W606 AromaticContact CE2-CZ3 3.58Å; Y594-W606 HydrophobicContact CE2-CZ3 3.58Å; Y594-I621 HydrophobicContact CD2-CG2 3.96Å; Y594-I621 HydrophobicContact CG-CG2 4.21Å; Y594-K624 HydrophobicContact CE2-CB 3.78Å; Y594-K624 HydrophobicContact CE2-CD 4.4Å
595S90.4Very high88.9Confident45 Ų4549.7 Ų49.732%0.31529%0.285SS..Hα-helixtrans-61.6-37.4179.272.90000112.9L591 L592 C598L591-S595 PolarHBondContact O-N 3.22Å; L592-S595 PolarHBondContact O-N 2.84Å; L592-S595 VanDerWaalsContact O-N 3.12Å; L592-S595 PolarHBondContact O-OG 3.3Å; S595-C598 WeakPolarHBondContact O-CB 3.25Å; S595-C598 PolarHBondContact O-N 3.45Å
596I91.6Very high88.9Confident0 Ų049.4 Ų49.40%028%0.283CS..Hα-helixtrans-70.6-41.1175.4-61.5165.1000110L540 L577 Q580 I581 L592 A593 Y594 C598 L599L540-I596 HydrophobicContact CD1-CD1 3.65Å; L540-I596 HydrophobicContact CD2-CD1 3.5Å; L540-I596 VanDerWaalsContact CD2-CD1 3.5Å; L540-I596 HydrophobicContact CG-CD1 4.22Å; L577-I596 HydrophobicContact CB-CG2 3.86Å; L577-I596 HydrophobicContact CD1-CG2 4.02Å; L577-I596 HydrophobicContact CG-CG2 4.5Å; Q580-I596 HydrophobicContact CB-CD1 4.49Å; I581-I596 HydrophobicContact CD1-CG2 4.07Å; I581-I596 HydrophobicContact CG1-CB 4.02Å; I581-I596 HydrophobicContact CG1-CG2 3.62Å; L592-I596 HydrophobicContact CD1-CD1 4.22Å; L592-I596 HydrophobicContact CD1-CG1 4.44Å; L592-I596 HydrophobicContact CG-CD1 4Å; L592-I596 VanDerWaalsContact O-CG1 3.31Å; L592-I596 WeakPolarHBondContact O-CG1 3.32Å; L592-I596 PolarHBondContact O-N 3.32Å; A593-I596 PolarHBondContact O-N 3.08Å; Y594-I596 VanDerWaalsContact C-N 3.3Å; Y594-I596 PolarHBondContact O-N 3.01Å; I596-C598 PolarHBondContact O-N 3.22Å; I596-L599 VanDerWaalsContact O-CB 3.26Å; I596-L599 WeakPolarHBondContact O-CB 3.44Å; I596-L599 WeakPolarHBondContact O-CG 3.24Å; I596-L599 PolarHBondContact O-N 3.03Å
597A89.9Confident88.8Confident0 Ų045.9 Ų45.90%027%0.267CS..Hα-helixtrans-60.1-35176.500000112.4I581 A593 Y594 L599 G600 T601 W606I581-A597 HydrophobicContact CD1-CB 4.18Å; A593-A597 WeakPolarHBondContact O-CB 3.28Å; A593-A597 PolarHBondContact O-N 3.42Å; Y594-A597 WeakPolarHBondContact O-CB 3.4Å; Y594-A597 PolarHBondContact O-N 3.11Å; Y594-A597 VanDerWaalsContact O-N 3.16Å; A597-L599 PolarHBondContact O-N 3.35Å; A597-G600 PolarHBondContact O-N 3.35Å; A597-T601 PolarHBondContact O-OG1 2.73Å; A597-W606 HydrophobicContact CB-CD2 4.24Å; A597-W606 HydrophobicContact CB-CE3 4.28Å; A597-W606 HydrophobicContact CB-CH2 3.69Å; A597-W606 HydrophobicContact CB-CZ2 3.63Å; A597-W606 HydrophobicContact CB-CZ3 4.02Å; A597-W606 VanDerWaalsContact O-CZ2 3.3Å; A597-W606 WeakPolarHBondContact O-CZ2 3.28Å
598C90Very high88.8Confident63 Ų6347.5 Ų47.543%0.42627%0.266SS..THydrogen-bonded Turntrans-62.7-20.6173.5-710000114.3Y594 S595 I596 G600Y594-C598 PolarHBondContact O-N 2.96Å; Y594-C598 PolarHBondContact O-SG 3.1Å; Y594-C598 VanDerWaalsContact O-SG 3.36Å; S595-C598 WeakPolarHBondContact O-CB 3.25Å; S595-C598 PolarHBondContact O-N 3.45Å; I596-C598 PolarHBondContact O-N 3.22Å; C598-G600 PolarHBondContact O-N 3.36Å
599L88Confident89Confident27 Ų2740.8 Ų40.814%0.14124%0.235CC..THydrogen-bonded Turntrans-73.5-13.6-179.2-56.4-175.1000113.9H523 C524 L527 S560 L577 I596 A597H523-L599 HydrophobicContact CB-CD2 3.41Å; H523-L599 VanDerWaalsContact CB-CD2 3.41Å; C524-L599 HydrophobicContact CB-CD1 3.88Å; L527-L599 HydrophobicContact CD2-CD1 3.84Å; S560-L599 PolarHBondContact N-O 3.47Å; L577-L599 HydrophobicContact CD1-CB 3.9Å; L577-L599 HydrophobicContact CD1-CD1 3.92Å; I596-L599 VanDerWaalsContact O-CB 3.26Å; I596-L599 WeakPolarHBondContact O-CB 3.44Å; I596-L599 WeakPolarHBondContact O-CG 3.24Å; I596-L599 PolarHBondContact O-N 3.03Å; A597-L599 PolarHBondContact O-N 3.35Å
600G80.8Confident89Confident31 Ų3137.2 Ų37.232%0.3222%0.217SC..SBendtrans123.9106.6-178.100000111.4A597 C598A597-G600 PolarHBondContact O-N 3.35Å; C598-G600 PolarHBondContact O-N 3.36Å
601T80.3Confident89.1Confident34 Ų3439.5 Ų39.521%0.20923%0.229CC..  trans-149.1165.1-176.549.10000112.3I581 A597 W606I581-T601 HydrophobicContact CD1-CG2 3.34Å; A597-T601 PolarHBondContact O-OG1 2.73Å; T601-W606 PolarHBondContact OG1-NE1 3.38Å
602C84.5Confident89Confident61 Ų6134.5 Ų34.541%0.41220%0.204SC..  trans-74.9161.7178.277.90000112.2A604 D605 W606C602-A604 VanDerWaalsContact C-N 3.27Å; C602-A604 PolarHBondContact O-N 3.05Å; C602-D605 PolarHBondContact O-N 2.74Å; C602-D605 PolarHBondContact SG-N 2.86Å; C602-D605 PolarHBondContact SG-OD2 2.86Å; C602-W606 PolarHBondContact O-N 2.54Å
603T86.3Confident89Confident101 Ų10133.6 Ų33.662%0.6220%0.2SC*.Hα-helixtrans-61.3-35178.749.90000112.6D605 W606 E607T603-D605 VanDerWaalsContact C-N 3.29Å; T603-D605 PolarHBondContact O-N 2.94Å; T603-W606 WeakPolarHBondContact O-CB 3.44Å; T603-W606 PolarHBondContact O-N 2.51Å; T603-E607 WeakPolarHBondContact O-CG 3.49Å; T603-E607 PolarHBondContact O-N 2.85Å
604A87.2Confident88.9Confident51 Ų5133.6 Ų33.642%0.42120%0.2SC..Hα-helixtrans-64.5-32.4177.800000112.8C602 E607 Y608C602-A604 VanDerWaalsContact C-N 3.27Å; C602-A604 PolarHBondContact O-N 3.05Å; A604-E607 PolarHBondContact O-N 2.78Å; A604-Y608 PolarHBondContact O-N 2.8Å
605D87.4Confident88.7Confident5 Ų536 Ų363%0.02721%0.211CC..Hα-helixtrans-71.5-37.1176.1-62.6-35.6000111.3Q578 C602 T603 E607 Y608 V609Q578-D605 VanDerWaalsContact CD-OD1 3.31Å; Q578-D605 VanDerWaalsContact CG-OD1 3.25Å; Q578-D605 WeakPolarHBondContact CG-OD1 3.34Å; Q578-D605 PolarHBondContact NE2-OD1 2.87Å; C602-D605 PolarHBondContact O-N 2.74Å; C602-D605 PolarHBondContact SG-N 2.86Å; C602-D605 PolarHBondContact SG-OD2 2.86Å; T603-D605 VanDerWaalsContact C-N 3.29Å; T603-D605 PolarHBondContact O-N 2.94Å; D605-E607 VanDerWaalsContact C-N 3.34Å; D605-Y608 PolarHBondContact O-N 3.31Å; D605-V609 WeakPolarHBondContact O-CG2 3.35Å; D605-V609 PolarHBondContact O-N 2.96Å
606W90.6Very high88.5Confident6 Ų635.9 Ų35.92%0.02321%0.21CC..Hα-helixtrans-63.8-39.3172.9-78.9102.7000112.5Y594 A597 T601 C602 T603 G610 T629Y594-W606 HydrophobicContact CD2-CH2 4.04Å; Y594-W606 AromaticContact CD2-CZ3 3.63Å; Y594-W606 HydrophobicContact CD2-CZ3 3.63Å; Y594-W606 AromaticContact CE2-CH2 3.83Å; Y594-W606 HydrophobicContact CE2-CH2 3.83Å; Y594-W606 AromaticContact CE2-CZ3 3.58Å; Y594-W606 HydrophobicContact CE2-CZ3 3.58Å; A597-W606 HydrophobicContact CB-CD2 4.24Å; A597-W606 HydrophobicContact CB-CE3 4.28Å; A597-W606 HydrophobicContact CB-CH2 3.69Å; A597-W606 HydrophobicContact CB-CZ2 3.63Å; A597-W606 HydrophobicContact CB-CZ3 4.02Å; A597-W606 VanDerWaalsContact O-CZ2 3.3Å; A597-W606 WeakPolarHBondContact O-CZ2 3.28Å; T601-W606 PolarHBondContact OG1-NE1 3.38Å; C602-W606 PolarHBondContact O-N 2.54Å; T603-W606 WeakPolarHBondContact O-CB 3.44Å; T603-W606 PolarHBondContact O-N 2.51Å; W606-G610 PolarHBondContact O-N 3.29Å; W606-T629 HydrophobicContact CB-CG2 3.44Å; W606-T629 VanDerWaalsContact CB-CG2 3.44Å; W606-T629 HydrophobicContact CG-CG2 4.36Å
607E89.7Confident88.3Confident71 Ų7137.1 Ų37.133%0.33222%0.217SC..Hα-helixtrans-62.9-44.1172.6-70.4175.4-17800111.3T603 A604 D605 G610 L611 T629 H631T603-E607 WeakPolarHBondContact O-CG 3.49Å; T603-E607 PolarHBondContact O-N 2.85Å; A604-E607 PolarHBondContact O-N 2.78Å; D605-E607 VanDerWaalsContact C-N 3.34Å; E607-G610 PolarHBondContact O-N 2.92Å; E607-L611 WeakPolarHBondContact O-CB 3.39Å; E607-L611 VanDerWaalsContact O-CG 3.27Å; E607-L611 WeakPolarHBondContact O-CG 3.47Å; E607-L611 PolarHBondContact O-N 2.82Å; E607-T629 HydrophobicContact CG-CG2 4.27Å; E607-H631 VanDerWaalsContact CD-NE2 3.34Å; E607-H631 IonicContact OE1-CD2 3.87Å; E607-H631 IonicContact OE1-CE1 2.73Å; E607-H631 IonicContact OE1-NE2 2.84Å; E607-H631 PolarHBondContact OE1-NE2 2.79Å
608Y90.7Very high88.3Confident82 Ų8241.3 Ų41.332%0.32224%0.235SC..Hα-helixtrans-62.7-45177.3-177-105.4000112.4R582 V585 A604 D605 S612R582-Y608 HydrophobicContact CB-CE1 4.45Å; R582-Y608 HydrophobicContact CG-CD1 4.32Å; R582-Y608 HydrophobicContact CG-CE1 3.92Å; V585-Y608 HydrophobicContact CB-CE1 3.79Å; V585-Y608 HydrophobicContact CG1-CD1 4.4Å; V585-Y608 HydrophobicContact CG1-CE1 3.59Å; V585-Y608 HydrophobicContact CG2-CD1 4.29Å; V585-Y608 HydrophobicContact CG2-CE1 4.01Å; A604-Y608 PolarHBondContact O-N 2.8Å; D605-Y608 PolarHBondContact O-N 3.31Å; Y608-S612 VanDerWaalsContact O-CB 3.27Å; Y608-S612 WeakPolarHBondContact O-CB 3.38Å; Y608-S612 PolarHBondContact O-N 2.93Å; Y608-S612 PolarHBondContact O-OG 3.32Å
609V92.5Very high88.3Confident0 Ų040.1 Ų40.10%022%0.223CC..Hα-helixtrans-63.3-44.1174.4173.20000110.8I581 V585 A593 D605 S612 A613 I621I581-V609 HydrophobicContact CG2-CG2 3.43Å; I581-V609 VanDerWaalsContact CG2-CG2 3.43Å; V585-V609 HydrophobicContact CG2-CG2 4.2Å; A593-V609 HydrophobicContact CB-CG2 4.39Å; D605-V609 WeakPolarHBondContact O-CG2 3.35Å; D605-V609 PolarHBondContact O-N 2.96Å; V609-S612 PolarHBondContact O-N 2.89Å; V609-A613 WeakPolarHBondContact O-CB 3.5Å; V609-A613 PolarHBondContact O-N 3.33Å; V609-I621 HydrophobicContact CG1-CG2 4.19Å
610G92Very high88.5Confident0 Ų044.3 Ų44.30%024%0.241CC..Hα-helixtrans-61.7-48.3178.700000112.8W606 E607 A613 L614W606-G610 PolarHBondContact O-N 3.29Å; E607-G610 PolarHBondContact O-N 2.92Å; G610-A613 PolarHBondContact O-N 3.16Å; G610-L614 VanDerWaalsContact O-CB 3.31Å; G610-L614 WeakPolarHBondContact O-CB 3.43Å; G610-L614 PolarHBondContact O-N 3.45Å
611L91.2Very high89.1Confident49 Ų4943.4 Ų43.426%0.25723%0.229SC..Hα-helixtrans-65.3-41.4177.9-73.1171.6000112E607 L614 K615 F626 Y634 T658E607-L611 WeakPolarHBondContact O-CB 3.39Å; E607-L611 VanDerWaalsContact O-CG 3.27Å; E607-L611 WeakPolarHBondContact O-CG 3.47Å; E607-L611 PolarHBondContact O-N 2.82Å; L611-L614 WeakPolarHBondContact O-CB 3.13Å; L611-L614 PolarHBondContact O-N 2.97Å; L611-K615 WeakPolarHBondContact O-CG 3.22Å; L611-K615 PolarHBondContact O-N 3.02Å; L611-F626 HydrophobicContact CD2-CZ 4.17Å; L611-F626 HydrophobicContact CG-CZ 4.26Å; L611-Y634 HydrophobicContact CD2-CE1 3.9Å; L611-Y634 HydrophobicContact CD2-CE2 4.18Å; L611-T658 HydrophobicContact CD2-CG2 4.13Å
612S90Very high89.6Confident19 Ų1941.8 Ų41.813%0.13322%0.219CC..Hα-helixtrans-69.3-37.9178.3-54.40000111.7V585 Y608 V609 L614 K615 C616V585-S612 VanDerWaalsContact CG1-OG 3.28Å; V585-S612 WeakPolarHBondContact CG1-OG 3.28Å; Y608-S612 VanDerWaalsContact O-CB 3.27Å; Y608-S612 WeakPolarHBondContact O-CB 3.38Å; Y608-S612 PolarHBondContact O-N 2.93Å; Y608-S612 PolarHBondContact O-OG 3.32Å; V609-S612 PolarHBondContact O-N 2.89Å; S612-L614 VanDerWaalsContact C-N 3.34Å; S612-K615 PolarHBondContact O-N 3.29Å; S612-C616 PolarHBondContact O-N 2.85Å; S612-C616 VanDerWaalsContact O-N 3.07Å; S612-C616 PolarHBondContact O-SG 3.36Å
613A91.7Very high90.1Very high0 Ų040.9 Ų40.90%021%0.208CC..Hα-helixtrans-64.8-38.8172.700000112.1L590 V609 G610 C616 L617 K618 I621 A622L590-A613 HydrophobicContact CD1-CB 4.2Å; L590-A613 HydrophobicContact CD2-CB 4.34Å; V609-A613 WeakPolarHBondContact O-CB 3.5Å; V609-A613 PolarHBondContact O-N 3.33Å; G610-A613 PolarHBondContact O-N 3.16Å; A613-C616 CarbonylContact O-C 3.57Å; A613-C616 PolarHBondContact O-N 2.89Å; A613-L617 PolarHBondContact O-N 3.29Å; A613-L617 VanDerWaalsContact O-N 3.14Å; A613-K618 PolarHBondContact O-N 2.74Å; A613-I621 HydrophobicContact CB-CB 4.08Å; A613-I621 HydrophobicContact CB-CG2 3.96Å; A613-A622 HydrophobicContact CB-CB 4.08Å
614L89.9Confident90.4Very high0 Ų040.6 Ų40.60%020%0.198CC..Hα-helixtrans-64-45.5175.3-170.868.8000111.5G610 L611 S612 C616 L617 A622 F626 Y634 L637 I638 V654G610-L614 VanDerWaalsContact O-CB 3.31Å; G610-L614 WeakPolarHBondContact O-CB 3.43Å; G610-L614 PolarHBondContact O-N 3.45Å; L611-L614 WeakPolarHBondContact O-CB 3.13Å; L611-L614 PolarHBondContact O-N 2.97Å; S612-L614 VanDerWaalsContact C-N 3.34Å; L614-C616 VanDerWaalsContact C-N 3.26Å; L614-C616 PolarHBondContact O-N 2.81Å; L614-L617 PolarHBondContact O-N 3.41Å; L614-A622 HydrophobicContact CB-CB 4.34Å; L614-A622 HydrophobicContact CD1-CB 4.49Å; L614-F626 HydrophobicContact CB-CE2 4.43Å; L614-F626 HydrophobicContact CD2-CE2 4.41Å; L614-Y634 HydrophobicContact CD2-CD1 4.01Å; L614-L637 HydrophobicContact CD2-CD2 4.01Å; L614-I638 HydrophobicContact CD1-CD1 4.07Å; L614-I638 HydrophobicContact CD1-CG1 3.39Å; L614-V654 HydrophobicContact CB-CG1 4.46Å; L614-V654 HydrophobicContact CD1-CG2 4.05Å; L614-V654 HydrophobicContact CD2-CG1 3.98Å; L614-V654 HydrophobicContact CD2-CG2 4.42Å; L614-V654 HydrophobicContact CG-CB 4.44Å; L614-V654 HydrophobicContact CG-CG1 3.68Å; L614-V654 HydrophobicContact CG-CG2 3.88Å
615K87.2Confident90.5Very high110 Ų11038.1 Ų38.148%0.47818%0.178SC..Hα-helixtrans-61.1-32.6174.7-73.2-176.4179.2-166.60113L611 S612 L617 L651 V654L611-K615 WeakPolarHBondContact O-CG 3.22Å; L611-K615 PolarHBondContact O-N 3.02Å; S612-K615 PolarHBondContact O-N 3.29Å; K615-L617 VanDerWaalsContact C-N 3.29Å; K615-L651 VanDerWaalsContact O-CD1 3.22Å; K615-L651 WeakPolarHBondContact O-CD1 3.2Å; K615-V654 HydrophobicContact CG-CG1 4.39Å
616C87.2Confident90.8Very high44 Ų4437.9 Ų37.930%0.29718%0.177SC..THydrogen-bonded Turntrans-85.22.9174.6-60.80000113.8L590 S612 A613 L614 K618L590-C616 HydrophobicContact CD1-CB 3.55Å; S612-C616 PolarHBondContact O-N 2.85Å; S612-C616 VanDerWaalsContact O-N 3.07Å; S612-C616 PolarHBondContact O-SG 3.36Å; A613-C616 CarbonylContact O-C 3.57Å; A613-C616 PolarHBondContact O-N 2.89Å; L614-C616 VanDerWaalsContact C-N 3.26Å; L614-C616 PolarHBondContact O-N 2.81Å; C616-K618 HydrophobicContact CB-CG 4.42Å; C616-K618 PolarHBondContact O-N 3.47Å
617L87.5Confident90.9Very high25 Ų2543.4 Ų43.413%0.13120%0.203CC..THydrogen-bonded Turntrans56.331.5-175.4-56173.9000114.3A613 L614 K615 F619 V641 R647 A650 L651 V654A613-L617 PolarHBondContact O-N 3.29Å; A613-L617 VanDerWaalsContact O-N 3.14Å; L614-L617 PolarHBondContact O-N 3.41Å; K615-L617 VanDerWaalsContact C-N 3.29Å; L617-F619 HydrophobicContact CB-CE1 4.39Å; L617-F619 HydrophobicContact CB-CZ 4.11Å; L617-F619 HydrophobicContact CD2-CE1 3.95Å; L617-F619 HydrophobicContact CD2-CZ 3.92Å; L617-F619 PolarHBondContact O-N 2.86Å; L617-V641 HydrophobicContact CD2-CG1 4.29Å; L617-R647 HydrophobicContact CD1-CG 3.33Å; L617-A650 HydrophobicContact CD1-CB 4.44Å; L617-A650 HydrophobicContact CD2-CB 4.22Å; L617-L651 HydrophobicContact CD1-CB 4.32Å; L617-V654 HydrophobicContact CD2-CG2 4.18Å
618K90.3Very high90.8Very high88 Ų8847.5 Ų47.538%0.38322%0.215SC..  trans-91.977.5171.7-64.1-164-169.4164.40110.3E588 L590 A613 C616 E620 I621 A622E588-K618 PolarHBondContact O-NZ 3.31Å; L590-K618 HydrophobicContact CB-CD 4.1Å; L590-K618 HydrophobicContact CD1-CB 4.21Å; L590-K618 HydrophobicContact CD1-CD 3.55Å; L590-K618 HydrophobicContact CD1-CG 3.97Å; L590-K618 HydrophobicContact CG-CD 4.41Å; A613-K618 PolarHBondContact O-N 2.74Å; C616-K618 HydrophobicContact CB-CG 4.42Å; C616-K618 PolarHBondContact O-N 3.47Å; K618-E620 PolarHBondContact O-N 2.79Å; K618-I621 HydrophobicContact CB-CD1 4.41Å; K618-I621 HydrophobicContact CD-CD1 4.26Å; K618-I621 PolarHBondContact O-N 2.99Å; K618-A622 PolarHBondContact O-N 3.27Å
619F90.5Very high90.7Very high39 Ų3944.8 Ų44.817%0.17121%0.207CC..Hα-helixtrans-59-40.1-170.9-55.6-54.2000114.4L617 I621 A622 K623 I638 V641 E642L617-F619 HydrophobicContact CB-CE1 4.39Å; L617-F619 HydrophobicContact CB-CZ 4.11Å; L617-F619 HydrophobicContact CD2-CE1 3.95Å; L617-F619 HydrophobicContact CD2-CZ 3.92Å; L617-F619 PolarHBondContact O-N 2.86Å; F619-I621 VanDerWaalsContact C-N 3.33Å; F619-I621 PolarHBondContact O-N 2.96Å; F619-A622 PolarHBondContact O-N 3.21Å; F619-K623 WeakPolarHBondContact O-CB 3.32Å; F619-K623 WeakPolarHBondContact O-CG 3.45Å; F619-K623 PolarHBondContact O-N 2.76Å; F619-I638 HydrophobicContact CB-CG2 3.86Å; F619-I638 HydrophobicContact CD1-CG2 3.79Å; F619-I638 HydrophobicContact CG-CG2 4.08Å; F619-V641 HydrophobicContact CE1-CB 4.38Å; F619-V641 HydrophobicContact CE1-CG1 3.7Å; F619-V641 HydrophobicContact CZ-CG1 3.77Å; F619-E642 HydrophobicContact CD2-CB 4.16Å; F619-E642 HydrophobicContact CD2-CG 4.03Å; F619-E642 HydrophobicContact CE2-CB 4.27Å; F619-E642 HydrophobicContact CE2-CG 4.4Å; F619-E642 HydrophobicContact CG-CB 4.48Å
620E91.6Very high90.6Very high115 Ų11551.6 Ų51.654%0.53724%0.237SC..Hα-helixtrans-56-45.1179.1-78.2-63.1149.300113.1K618 K624K618-E620 PolarHBondContact O-N 2.79Å; E620-K624 WeakPolarHBondContact O-CG 3Å; E620-K624 PolarHBondContact O-N 3.36Å; E620-K624 VanDerWaalsContact O-N 3.15Å
621I92.5Very high90.5Very high11 Ų1154.4 Ų54.46%0.05625%0.25CS..Hα-helixtrans-72.7-41.2-180-59.1172.8000109.9L590 L591 Y594 V609 A613 K618 F619 K624 S625L590-I621 HydrophobicContact CB-CD1 3.78Å; L591-I621 HydrophobicContact CD2-CD1 3.63Å; L591-I621 HydrophobicContact CD2-CG1 4.11Å; L591-I621 HydrophobicContact CG-CD1 3.91Å; Y594-I621 HydrophobicContact CD2-CG2 3.96Å; Y594-I621 HydrophobicContact CG-CG2 4.21Å; V609-I621 HydrophobicContact CG1-CG2 4.19Å; A613-I621 HydrophobicContact CB-CB 4.08Å; A613-I621 HydrophobicContact CB-CG2 3.96Å; K618-I621 HydrophobicContact CB-CD1 4.41Å; K618-I621 HydrophobicContact CD-CD1 4.26Å; K618-I621 PolarHBondContact O-N 2.99Å; F619-I621 VanDerWaalsContact C-N 3.33Å; F619-I621 PolarHBondContact O-N 2.96Å; I621-K624 PolarHBondContact O-N 3.38Å; I621-S625 VanDerWaalsContact O-CB 3.32Å; I621-S625 WeakPolarHBondContact O-CB 3.48Å; I621-S625 PolarHBondContact O-N 3.47Å; I621-S625 PolarHBondContact O-OG 2.88Å
622A91.7Very high90.5Very high0 Ų059.5 Ų59.50%027%0.267CS..Hα-helixtrans-61.5-47.3177.400000111.3A613 L614 K618 F619 S625 F626 I638A613-A622 HydrophobicContact CB-CB 4.08Å; L614-A622 HydrophobicContact CB-CB 4.34Å; L614-A622 HydrophobicContact CD1-CB 4.49Å; K618-A622 PolarHBondContact O-N 3.27Å; F619-A622 PolarHBondContact O-N 3.21Å; A622-S625 PolarHBondContact O-N 2.78Å; A622-F626 HydrophobicContact CB-CD2 4.27Å; A622-F626 HydrophobicContact CB-CE2 4.11Å; A622-F626 WeakPolarHBondContact O-CB 3.44Å; A622-F626 WeakPolarHBondContact O-CD2 3.38Å; A622-F626 WeakPolarHBondContact O-CG 3.5Å; A622-F626 PolarHBondContact O-N 2.81Å; A622-I638 HydrophobicContact CB-CD1 3.7Å
623K93.6Very high90.4Very high42 Ų4267.1 Ų67.118%0.18329%0.293CS..Hα-helixtrans-56.4-52.9175.4-75.1177.2-179.6172.80111.3F619 S625 F626 Q627 L635 I638 E642F619-K623 WeakPolarHBondContact O-CB 3.32Å; F619-K623 WeakPolarHBondContact O-CG 3.45Å; F619-K623 PolarHBondContact O-N 2.76Å; K623-S625 VanDerWaalsContact C-N 3.28Å; K623-S625 PolarHBondContact O-N 3.46Å; K623-F626 PolarHBondContact O-N 3.16Å; K623-Q627 VanDerWaalsContact O-CB 3.26Å; K623-Q627 WeakPolarHBondContact O-CB 3.43Å; K623-Q627 WeakPolarHBondContact O-CG 3.3Å; K623-Q627 PolarHBondContact O-N 3.37Å; K623-L635 HydrophobicContact CB-CD2 4.47Å; K623-I638 HydrophobicContact CD-CG2 4.19Å; K623-I638 VanDerWaalsContact CE-CG2 3.4Å; K623-I638 HydrophobicContact CG-CB 4.49Å; K623-I638 HydrophobicContact CG-CD1 4.13Å; K623-I638 HydrophobicContact CG-CG2 3.8Å; K623-E642 WeakPolarHBondContact CE-OE2 3.39Å; K623-E642 IonicContact NZ-OE1 2.72Å; K623-E642 PolarHBondContact NZ-OE1 3.14Å; K623-E642 IonicContact NZ-OE2 2.92Å; K623-E642 PolarHBondContact NZ-OE2 2.7Å
624K92.5Very high90.4Very high95 Ų9569.4 Ų69.441%0.41330%0.302SS..Hα-helixtrans-60.8-37.9179.7-71176-174.3178.40112.3Y594 E620 I621 R628Y594-K624 HydrophobicContact CE2-CB 3.78Å; Y594-K624 HydrophobicContact CE2-CD 4.4Å; E620-K624 WeakPolarHBondContact O-CG 3Å; E620-K624 PolarHBondContact O-N 3.36Å; E620-K624 VanDerWaalsContact O-N 3.15Å; I621-K624 PolarHBondContact O-N 3.38Å; K624-R628 WeakPolarHBondContact O-CB 3.49Å; K624-R628 PolarHBondContact O-N 3.24Å
625S91.2Very high90.4Very high0 Ų070.6 Ų70.60%031%0.308CS..Hα-helixtrans-67.7-48.8177.9-55.20000111.4I621 A622 K623 R628 T629I621-S625 VanDerWaalsContact O-CB 3.32Å; I621-S625 WeakPolarHBondContact O-CB 3.48Å; I621-S625 PolarHBondContact O-N 3.47Å; I621-S625 PolarHBondContact O-OG 2.88Å; A622-S625 PolarHBondContact O-N 2.78Å; K623-S625 VanDerWaalsContact C-N 3.28Å; K623-S625 PolarHBondContact O-N 3.46Å; S625-R628 WeakPolarHBondContact O-CB 3.4Å; S625-R628 PolarHBondContact O-N 3.42Å; S625-T629 PolarHBondContact O-N 3.28Å; S625-T629 VanDerWaalsContact O-N 3.11Å; S625-T629 PolarHBondContact O-OG1 2.82Å
626F93Very high90.6Very high0 Ų069.3 Ų69.30%031%0.306CS..Hα-helixtrans-74.8-27.6-179.1-65.6-52.5000114.1L611 L614 A622 K623 R628 T629 K630 H631 Y634 L635 I638L611-F626 HydrophobicContact CD2-CZ 4.17Å; L611-F626 HydrophobicContact CG-CZ 4.26Å; L614-F626 HydrophobicContact CB-CE2 4.43Å; L614-F626 HydrophobicContact CD2-CE2 4.41Å; A622-F626 HydrophobicContact CB-CD2 4.27Å; A622-F626 HydrophobicContact CB-CE2 4.11Å; A622-F626 WeakPolarHBondContact O-CB 3.44Å; A622-F626 WeakPolarHBondContact O-CD2 3.38Å; A622-F626 WeakPolarHBondContact O-CG 3.5Å; A622-F626 PolarHBondContact O-N 2.81Å; K623-F626 PolarHBondContact O-N 3.16Å; F626-R628 VanDerWaalsContact C-N 3.32Å; F626-T629 WeakPolarHBondContact CA-OG1 3.42Å; F626-T629 PolarHBondContact O-N 3.17Å; F626-T629 PolarHBondContact O-OG1 3.32Å; F626-K630 CarbonylContact O-C 3.53Å; F626-K630 WeakPolarHBondContact O-CA 3.44Å; F626-K630 PolarHBondContact O-N 2.81Å; F626-H631 HydrophobicContact CB-CB 4.24Å; F626-H631 HydrophobicContact CD1-CB 3.84Å; F626-H631 HydrophobicContact CG-CB 4.35Å; F626-H631 PolarHBondContact O-N 3.48Å; F626-Y634 AromaticContact CD1-CD2 3.91Å; F626-Y634 HydrophobicContact CD1-CD2 3.91Å; F626-Y634 HydrophobicContact CD1-CG 4.32Å; F626-Y634 HydrophobicContact CD2-CG 4.41Å; F626-Y634 AromaticContact CE1-CD2 3.52Å; F626-Y634 HydrophobicContact CE1-CD2 3.52Å; F626-Y634 HydrophobicContact CE1-CE2 4.17Å; F626-Y634 AromaticContact CE1-CG 3.94Å; F626-Y634 HydrophobicContact CE1-CG 3.94Å; F626-Y634 HydrophobicContact CE2-CD2 4.46Å; F626-Y634 HydrophobicContact CE2-CG 4.04Å; F626-Y634 HydrophobicContact CZ-CD1 4.38Å; F626-Y634 AromaticContact CZ-CD2 3.83Å; F626-Y634 HydrophobicContact CZ-CD2 3.83Å; F626-Y634 HydrophobicContact CZ-CE2 4.5Å; F626-Y634 AromaticContact CZ-CG 3.78Å; F626-Y634 HydrophobicContact CZ-CG 3.78Å; F626-L635 HydrophobicContact CB-CD2 3.86Å; F626-L635 HydrophobicContact CB-CG 4.11Å; F626-I638 HydrophobicContact CD2-CD1 3.73Å; F626-I638 HydrophobicContact CE2-CD1 4.13Å
627Q91.6Very high90.6Very high122 Ų12267.8 Ų67.857%0.5730%0.295SS*.Hα-helixtrans-62.5-42.6168.8-79.8175.4-5.800110.6K623 K630 L635K623-Q627 VanDerWaalsContact O-CB 3.26Å; K623-Q627 WeakPolarHBondContact O-CB 3.43Å; K623-Q627 WeakPolarHBondContact O-CG 3.3Å; K623-Q627 PolarHBondContact O-N 3.37Å; Q627-K630 PolarHBondContact O-N 3.37Å; Q627-L635 HydrophobicContact CG-CD1 4.11Å; Q627-L635 HydrophobicContact CG-CD2 4.01Å
628R88.6Confident90.7Very high156 Ų15666.6 Ų66.659%0.58929%0.289SS*.Hα-helixtrans-66-40.2177.6-172.1178.5177.291.5-0.2112.3K624 S625 F626K624-R628 WeakPolarHBondContact O-CB 3.49Å; K624-R628 PolarHBondContact O-N 3.24Å; S625-R628 WeakPolarHBondContact O-CB 3.4Å; S625-R628 PolarHBondContact O-N 3.42Å; F626-R628 VanDerWaalsContact C-N 3.32Å
629T88.4Confident90.7Very high26 Ų2668.3 Ų68.316%0.1630%0.298CS..Hα-helixtrans-83.8-8.6177.163.60000114W606 E607 S625 F626 H631W606-T629 HydrophobicContact CB-CG2 3.44Å; W606-T629 VanDerWaalsContact CB-CG2 3.44Å; W606-T629 HydrophobicContact CG-CG2 4.36Å; E607-T629 HydrophobicContact CG-CG2 4.27Å; S625-T629 PolarHBondContact O-N 3.28Å; S625-T629 VanDerWaalsContact O-N 3.11Å; S625-T629 PolarHBondContact O-OG1 2.82Å; F626-T629 WeakPolarHBondContact CA-OG1 3.42Å; F626-T629 PolarHBondContact O-N 3.17Å; F626-T629 PolarHBondContact O-OG1 3.32Å; T629-H631 PolarHBondContact OG1-CD2 3.04Å
630K89.6Confident90.6Very high142 Ų14274.1 Ų74.162%0.61732%0.319SS*.THydrogen-bonded Turntrans61.837.1-175.2-53.5179.7179.5179.40114.5F626 Q627 Y632F626-K630 CarbonylContact O-C 3.53Å; F626-K630 WeakPolarHBondContact O-CA 3.44Å; F626-K630 PolarHBondContact O-N 2.81Å; Q627-K630 PolarHBondContact O-N 3.37Å; K630-Y632 HydrophobicContact CB-CE2 4.35Å; K630-Y632 WeakPolarHBondContact O-CD2 3.47Å; K630-Y632 WeakPolarHBondContact O-CE2 3.07Å; K630-Y632 PolarHBondContact O-N 3.43Å
631H90.4Very high90.3Very high60 Ų6068.7 Ų68.728%0.27829%0.294SS..  trans-86.683175.7-78.8-51.3000112.7E607 F626 T629 R633 Y634 L635E607-H631 VanDerWaalsContact CD-NE2 3.34Å; E607-H631 IonicContact OE1-CD2 3.87Å; E607-H631 IonicContact OE1-CE1 2.73Å; E607-H631 IonicContact OE1-NE2 2.84Å; E607-H631 PolarHBondContact OE1-NE2 2.79Å; F626-H631 HydrophobicContact CB-CB 4.24Å; F626-H631 HydrophobicContact CD1-CB 3.84Å; F626-H631 HydrophobicContact CG-CB 4.35Å; F626-H631 PolarHBondContact O-N 3.48Å; T629-H631 PolarHBondContact OG1-CD2 3.04Å; H631-R633 VanDerWaalsContact C-N 3.33Å; H631-R633 PolarHBondContact O-N 2.85Å; H631-Y634 HydrophobicContact CB-CD2 3.85Å; H631-Y634 PolarHBondContact O-N 3.33Å; H631-L635 PolarHBondContact O-N 2.83Å
632Y90.7Very high90.1Very high156 Ų15672.2 Ų72.261%0.61231%0.31SS*.Hα-helixtrans-61.3-33.9-176.3-52.5-74.7000114.4K630 Y634 L635 N636K630-Y632 HydrophobicContact CB-CE2 4.35Å; K630-Y632 WeakPolarHBondContact O-CD2 3.47Å; K630-Y632 WeakPolarHBondContact O-CE2 3.07Å; K630-Y632 PolarHBondContact O-N 3.43Å; Y632-Y634 VanDerWaalsContact C-N 3.3Å; Y632-Y634 PolarHBondContact O-N 3.28Å; Y632-L635 HydrophobicContact CD1-CD1 4.5Å; Y632-L635 PolarHBondContact O-N 3.39Å; Y632-L635 VanDerWaalsContact O-N 3.16Å; Y632-N636 PolarHBondContact O-N 3.38Å
633R89.4Confident89.8Confident179 Ų17976.3 Ų76.368%0.67534%0.344SS*.Hα-helixtrans-58-43.4178-178.1178.9176.1-178.6-1.7111.6H631 L637H631-R633 VanDerWaalsContact C-N 3.33Å; H631-R633 PolarHBondContact O-N 2.85Å; R633-L637 WeakPolarHBondContact O-CB 3.41Å; R633-L637 PolarHBondContact O-N 3.3Å; R633-L637 VanDerWaalsContact O-N 3.1Å
634Y90.6Very high89.2Confident47 Ų4777.3 Ų77.318%0.18435%0.351CS..Hα-helixtrans-74.6-31.2178.3-66.5-59.9000112.3L611 L614 F626 H631 Y632 L637 I638L611-Y634 HydrophobicContact CD2-CE1 3.9Å; L611-Y634 HydrophobicContact CD2-CE2 4.18Å; L614-Y634 HydrophobicContact CD2-CD1 4.01Å; F626-Y634 AromaticContact CD1-CD2 3.91Å; F626-Y634 HydrophobicContact CD1-CD2 3.91Å; F626-Y634 HydrophobicContact CD1-CG 4.32Å; F626-Y634 HydrophobicContact CD2-CG 4.41Å; F626-Y634 AromaticContact CE1-CD2 3.52Å; F626-Y634 HydrophobicContact CE1-CD2 3.52Å; F626-Y634 HydrophobicContact CE1-CE2 4.17Å; F626-Y634 AromaticContact CE1-CG 3.94Å; F626-Y634 HydrophobicContact CE1-CG 3.94Å; F626-Y634 HydrophobicContact CE2-CD2 4.46Å; F626-Y634 HydrophobicContact CE2-CG 4.04Å; F626-Y634 HydrophobicContact CZ-CD1 4.38Å; F626-Y634 AromaticContact CZ-CD2 3.83Å; F626-Y634 HydrophobicContact CZ-CD2 3.83Å; F626-Y634 HydrophobicContact CZ-CE2 4.5Å; F626-Y634 AromaticContact CZ-CG 3.78Å; F626-Y634 HydrophobicContact CZ-CG 3.78Å; H631-Y634 HydrophobicContact CB-CD2 3.85Å; H631-Y634 PolarHBondContact O-N 3.33Å; Y632-Y634 VanDerWaalsContact C-N 3.3Å; Y632-Y634 PolarHBondContact O-N 3.28Å; Y634-L637 HydrophobicContact CD1-CD2 4.25Å; Y634-L637 WeakPolarHBondContact O-CB 3.43Å; Y634-L637 PolarHBondContact O-N 2.94Å; Y634-I638 WeakPolarHBondContact O-CD1 3.27Å; Y634-I638 WeakPolarHBondContact O-CG1 3.29Å; Y634-I638 PolarHBondContact O-N 3.36Å
635L90.5Very high88.6Confident25 Ų2579 Ų7913%0.13138%0.375CS..Hα-helixtrans-64-48.2173.8-65.6174.2000111.5K623 F626 Q627 H631 Y632 L637 I638 E639K623-L635 HydrophobicContact CB-CD2 4.47Å; F626-L635 HydrophobicContact CB-CD2 3.86Å; F626-L635 HydrophobicContact CB-CG 4.11Å; Q627-L635 HydrophobicContact CG-CD1 4.11Å; Q627-L635 HydrophobicContact CG-CD2 4.01Å; H631-L635 PolarHBondContact O-N 2.83Å; Y632-L635 HydrophobicContact CD1-CD1 4.5Å; Y632-L635 PolarHBondContact O-N 3.39Å; Y632-L635 VanDerWaalsContact O-N 3.16Å; L635-L637 PolarHBondContact O-N 3.35Å; L635-I638 PolarHBondContact O-N 3.27Å; L635-I638 VanDerWaalsContact O-N 3.12Å; L635-E639 PolarHBondContact O-N 2.98Å
636N90.7Very high88.2Confident83 Ų8381 Ų8144%0.44439%0.385SS..Hα-helixtrans-64.5-29.2175.7-68.2-0000112.6Y632 R640Y632-N636 PolarHBondContact O-N 3.38Å; N636-R640 WeakPolarHBondContact O-CG 3.36Å; N636-R640 PolarHBondContact O-N 3Å; N636-R640 PolarHBondContact O-NE 3.47Å; N636-R640 VanDerWaalsContact O-NE 3.17Å
637L87.4Confident87.8Confident12 Ų1289.3 Ų89.36%0.06342%0.417CS..Hα-helixtrans-69.8-45.7172.7176.964.7000110.6L614 R633 Y634 L635 E639 R640 V641 C657L614-L637 HydrophobicContact CD2-CD2 4.01Å; R633-L637 WeakPolarHBondContact O-CB 3.41Å; R633-L637 PolarHBondContact O-N 3.3Å; R633-L637 VanDerWaalsContact O-N 3.1Å; Y634-L637 HydrophobicContact CD1-CD2 4.25Å; Y634-L637 WeakPolarHBondContact O-CB 3.43Å; Y634-L637 PolarHBondContact O-N 2.94Å; L635-L637 PolarHBondContact O-N 3.35Å; L637-E639 VanDerWaalsContact C-N 3.33Å; L637-E639 PolarHBondContact O-N 2.77Å; L637-R640 PolarHBondContact O-N 3.43Å; L637-V641 HydrophobicContact CD1-CG2 3.69Å; L637-V641 HydrophobicContact CG-CG2 4.02Å; L637-V641 WeakPolarHBondContact O-CB 3.47Å; L637-V641 WeakPolarHBondContact O-CG2 3.45Å; L637-V641 PolarHBondContact O-N 2.92Å; L637-C657 HydrophobicContact CD1-CB 4.32Å; L637-C657 WeakPolarHBondContact CD1-SG 3.14Å; L637-C657 HydrophobicContact CD2-CB 3.41Å; L637-C657 VanDerWaalsContact CD2-CB 3.41Å; L637-C657 HydrophobicContact CG-CB 4.49Å
638I90.5Very high87.4Confident0 Ų086 Ų860%040%0.403CS..Hα-helixtrans-60.8-44.2179.1-69.2160.1000110.6L614 F619 A622 K623 F626 Y634 L635 R640 V641 E642L614-I638 HydrophobicContact CD1-CD1 4.07Å; L614-I638 HydrophobicContact CD1-CG1 3.39Å; F619-I638 HydrophobicContact CB-CG2 3.86Å; F619-I638 HydrophobicContact CD1-CG2 3.79Å; F619-I638 HydrophobicContact CG-CG2 4.08Å; A622-I638 HydrophobicContact CB-CD1 3.7Å; K623-I638 HydrophobicContact CD-CG2 4.19Å; K623-I638 VanDerWaalsContact CE-CG2 3.4Å; K623-I638 HydrophobicContact CG-CB 4.49Å; K623-I638 HydrophobicContact CG-CD1 4.13Å; K623-I638 HydrophobicContact CG-CG2 3.8Å; F626-I638 HydrophobicContact CD2-CD1 3.73Å; F626-I638 HydrophobicContact CE2-CD1 4.13Å; Y634-I638 WeakPolarHBondContact O-CD1 3.27Å; Y634-I638 WeakPolarHBondContact O-CG1 3.29Å; Y634-I638 PolarHBondContact O-N 3.36Å; L635-I638 PolarHBondContact O-N 3.27Å; L635-I638 VanDerWaalsContact O-N 3.12Å; I638-R640 VanDerWaalsContact C-N 3.29Å; I638-R640 PolarHBondContact O-N 2.78Å; I638-V641 PolarHBondContact O-N 3.31Å; I638-E642 WeakPolarHBondContact O-CB 3.5Å; I638-E642 PolarHBondContact O-N 3.08Å
639E90.3Very high87.2Confident124 Ų12479 Ų7958%0.57938%0.377SS*.Hα-helixtrans-59.7-39.5176.7-72.3178.2177.500112.3L635 L637 A643L635-E639 PolarHBondContact O-N 2.98Å; L637-E639 VanDerWaalsContact C-N 3.33Å; L637-E639 PolarHBondContact O-N 2.77Å; E639-A643 PolarHBondContact O-N 2.78Å
640R87.5Confident87.1Confident162 Ų16277.9 Ų77.961%0.61137%0.371SS*.Hα-helixtrans-68.2-43.8175.4-79.2-176.2-93.8-176.5-10.5112.7N636 L637 I638 A643N636-R640 WeakPolarHBondContact O-CG 3.36Å; N636-R640 PolarHBondContact O-N 3Å; N636-R640 PolarHBondContact O-NE 3.47Å; N636-R640 VanDerWaalsContact O-NE 3.17Å; L637-R640 PolarHBondContact O-N 3.43Å; I638-R640 VanDerWaalsContact C-N 3.29Å; I638-R640 PolarHBondContact O-N 2.78Å; R640-A643 PolarHBondContact O-N 3.16Å
641V86.6Confident87Confident1 Ų173 Ų731%0.00635%0.352CS..Hα-helixtrans-74.4-35-175.91730000111.6L617 F619 L637 I638 A643 L644 A650 Q653 V654L617-V641 HydrophobicContact CD2-CG1 4.29Å; F619-V641 HydrophobicContact CE1-CB 4.38Å; F619-V641 HydrophobicContact CE1-CG1 3.7Å; F619-V641 HydrophobicContact CZ-CG1 3.77Å; L637-V641 HydrophobicContact CD1-CG2 3.69Å; L637-V641 HydrophobicContact CG-CG2 4.02Å; L637-V641 WeakPolarHBondContact O-CB 3.47Å; L637-V641 WeakPolarHBondContact O-CG2 3.45Å; L637-V641 PolarHBondContact O-N 2.92Å; I638-V641 PolarHBondContact O-N 3.31Å; V641-A643 VanDerWaalsContact C-N 3.26Å; V641-A643 PolarHBondContact O-N 3.01Å; V641-L644 WeakPolarHBondContact O-CB 3.35Å; V641-L644 PolarHBondContact O-N 3.35Å; V641-A650 HydrophobicContact CG1-CB 3.49Å; V641-A650 VanDerWaalsContact CG1-CB 3.49Å; V641-Q653 HydrophobicContact CG2-CB 4.13Å; V641-V654 HydrophobicContact CG1-CG2 4.08Å; V641-V654 HydrophobicContact CG2-CG2 4.21Å
642E86.4Confident86.8Confident84 Ų8470.2 Ų70.239%0.39334%0.338SS..Hα-helixtrans-68.1-26.7175.9-173.2179.4-131.800112.3F619 K623 I638 L644F619-E642 HydrophobicContact CD2-CB 4.16Å; F619-E642 HydrophobicContact CD2-CG 4.03Å; F619-E642 HydrophobicContact CE2-CB 4.27Å; F619-E642 HydrophobicContact CE2-CG 4.4Å; F619-E642 HydrophobicContact CG-CB 4.48Å; K623-E642 WeakPolarHBondContact CE-OE2 3.39Å; K623-E642 IonicContact NZ-OE1 2.72Å; K623-E642 PolarHBondContact NZ-OE1 3.14Å; K623-E642 IonicContact NZ-OE2 2.92Å; K623-E642 PolarHBondContact NZ-OE2 2.7Å; I638-E642 WeakPolarHBondContact O-CB 3.5Å; I638-E642 PolarHBondContact O-N 3.08Å; E642-L644 VanDerWaalsContact C-N 3.26Å; E642-L644 PolarHBondContact O-N 2.91Å
643A86.2Confident86.6Confident86 Ų8665 Ų6571%0.71132%0.319SS*.THydrogen-bonded Turntrans-73.5-14.7173.500000113.6E639 R640 V641E639-A643 PolarHBondContact O-N 2.78Å; R640-A643 PolarHBondContact O-N 3.16Å; V641-A643 VanDerWaalsContact C-N 3.26Å; V641-A643 PolarHBondContact O-N 3.01Å
644L82.2Confident86.5Confident64 Ų6456.4 Ų56.434%0.33529%0.287SS..  trans-82.1134.4180-62.1173.1000111.1V641 E642 V649 Q653V641-L644 WeakPolarHBondContact O-CB 3.35Å; V641-L644 PolarHBondContact O-N 3.35Å; E642-L644 VanDerWaalsContact C-N 3.26Å; E642-L644 PolarHBondContact O-N 2.91Å; L644-V649 HydrophobicContact CD1-CG1 4.05Å; L644-Q653 VanDerWaalsContact CD1-CD 3.49Å; L644-Q653 HydrophobicContact CD1-CG 4.48Å; L644-Q653 VanDerWaalsContact CD1-OE1 3.22Å
645S79.2Confident86.4Confident131 Ų13156.2 Ų56.292%0.91629%0.289SS*.SBendtrans-76.8-32.5176.151.70000113
646D83Confident86.1Confident40 Ų4056.4 Ų56.421%0.21429%0.293CS..  trans-87.1117-178.5-167.6-24000111.6N648 V649 A650 Y673D646-N648 VanDerWaalsContact C-N 3.3Å; D646-N648 PolarHBondContact O-N 2.78Å; D646-N648 PolarHBondContact OD1-N 2.76Å; D646-V649 HydrophobicContact CB-CB 4.01Å; D646-V649 HydrophobicContact CB-CG2 3.74Å; D646-V649 PolarHBondContact O-N 3.34Å; D646-A650 WeakPolarHBondContact O-CB 3.38Å; D646-A650 PolarHBondContact O-N 3.34Å; D646-Y673 VanDerWaalsContact OD2-CE2 3.29Å; D646-Y673 WeakPolarHBondContact OD2-CE2 3.32Å
647R83.3Confident85.7Confident176 Ų17654.3 Ų54.366%0.66429%0.285SS*.Hα-helixtrans-61.8-34.5178.8-169.1-177.1175.8-178.4-2.5112.8L617 A650 L651L617-R647 HydrophobicContact CD1-CG 3.33Å; R647-A650 WeakPolarHBondContact O-CB 3.24Å; R647-L651 WeakPolarHBondContact O-CB 3.46Å; R647-L651 PolarHBondContact O-N 3.42Å
648N83.6Confident85.5Confident53 Ų5355.8 Ų55.828%0.28329%0.294SS..Hα-helixtrans-76.7-41.6-177.5-64.3-42.2000110.6D646 A650 L651 A652 L667 H671D646-N648 VanDerWaalsContact C-N 3.3Å; D646-N648 PolarHBondContact O-N 2.78Å; D646-N648 PolarHBondContact OD1-N 2.76Å; N648-A650 VanDerWaalsContact C-N 3.31Å; N648-A650 PolarHBondContact O-N 2.83Å; N648-L651 PolarHBondContact O-N 2.84Å; N648-A652 WeakPolarHBondContact O-CB 3.28Å; N648-A652 PolarHBondContact O-N 2.81Å; N648-L667 HydrophobicContact CB-CD2 4.39Å; N648-L667 VanDerWaalsContact O-CD2 3.24Å; N648-L667 WeakPolarHBondContact O-CD2 3.3Å; N648-H671 PolarHBondContact ND2-CD2 3.07Å; N648-H671 VanDerWaalsContact ND2-CD2 3.29Å; N648-H671 PolarHBondContact ND2-NE2 2.77Å
649V84.5Confident85.2Confident8 Ų858.2 Ų58.25%0.04832%0.32CS..Hα-helixtrans-59.6-44.8171179.80000110.5L644 D646 L651 A652 Q653 F668 Y673 M676L644-V649 HydrophobicContact CD1-CG1 4.05Å; D646-V649 HydrophobicContact CB-CB 4.01Å; D646-V649 HydrophobicContact CB-CG2 3.74Å; D646-V649 PolarHBondContact O-N 3.34Å; V649-L651 PolarHBondContact O-N 2.94Å; V649-A652 PolarHBondContact O-N 3Å; V649-Q653 WeakPolarHBondContact O-CG 3.42Å; V649-Q653 PolarHBondContact O-N 2.78Å; V649-F668 HydrophobicContact CB-CE1 4.49Å; V649-F668 HydrophobicContact CG1-CE1 3.94Å; V649-Y673 HydrophobicContact CG2-CD1 4.2Å; V649-Y673 HydrophobicContact CG2-CD2 3.34Å; V649-Y673 HydrophobicContact CG2-CE1 4.13Å; V649-Y673 HydrophobicContact CG2-CE2 3.26Å; V649-Y673 HydrophobicContact CG2-CG 3.83Å; V649-M676 HydrophobicContact CG1-CE 3.58Å; V649-M676 HydrophobicContact CG1-SD 3.67Å
650A85.7Confident85Confident3 Ų355.4 Ų55.43%0.02531%0.309CS..Hα-helixtrans-57-46.7174.600000112.2L617 V641 D646 R647 N648 Q653 V654L617-A650 HydrophobicContact CD1-CB 4.44Å; L617-A650 HydrophobicContact CD2-CB 4.22Å; V641-A650 HydrophobicContact CG1-CB 3.49Å; V641-A650 VanDerWaalsContact CG1-CB 3.49Å; D646-A650 WeakPolarHBondContact O-CB 3.38Å; D646-A650 PolarHBondContact O-N 3.34Å; R647-A650 WeakPolarHBondContact O-CB 3.24Å; N648-A650 VanDerWaalsContact C-N 3.31Å; N648-A650 PolarHBondContact O-N 2.83Å; A650-Q653 PolarHBondContact O-N 2.89Å; A650-V654 WeakPolarHBondContact O-CG2 3.29Å; A650-V654 PolarHBondContact O-N 3.34Å
651L87.8Confident84.9Confident40 Ų4049.2 Ų49.221%0.20929%0.287CS..Hα-helixtrans-64.6-42.4177.2-175.961.3000112.3K615 L617 R647 N648 V649 V654 M655 L667K615-L651 VanDerWaalsContact O-CD1 3.22Å; K615-L651 WeakPolarHBondContact O-CD1 3.2Å; L617-L651 HydrophobicContact CD1-CB 4.32Å; R647-L651 WeakPolarHBondContact O-CB 3.46Å; R647-L651 PolarHBondContact O-N 3.42Å; N648-L651 PolarHBondContact O-N 2.84Å; V649-L651 PolarHBondContact O-N 2.94Å; L651-V654 WeakPolarHBondContact O-CB 3.42Å; L651-V654 PolarHBondContact O-N 3.39Å; L651-M655 HydrophobicContact CD1-CE 4.1Å; L651-M655 HydrophobicContact CD2-CE 3.94Å; L651-M655 HydrophobicContact CG-CE 3.85Å; L651-M655 HydrophobicContact CG-SD 4.29Å; L651-M655 WeakPolarHBondContact O-CG 3.21Å; L651-M655 PolarHBondContact O-N 2.82Å; L651-L667 HydrophobicContact CB-CD2 3.92Å; L651-L667 HydrophobicContact CD2-CD2 3.94Å; L651-L667 HydrophobicContact CG-CD2 4Å
652A85.9Confident84.9Confident0 Ų052.7 Ų52.70%031%0.306CS..Hα-helixtrans-62.3-43.9177.800000111.6N648 V649 V654 M655 A656 A664 L667 F668N648-A652 WeakPolarHBondContact O-CB 3.28Å; N648-A652 PolarHBondContact O-N 2.81Å; V649-A652 PolarHBondContact O-N 3Å; A652-V654 VanDerWaalsContact C-N 3.32Å; A652-V654 PolarHBondContact O-N 3.01Å; A652-M655 PolarHBondContact O-N 3.02Å; A652-A656 WeakPolarHBondContact O-CB 3.5Å; A652-A656 PolarHBondContact O-N 3.43Å; A652-A664 HydrophobicContact CB-CB 4.44Å; A652-A664 VanDerWaalsContact O-CB 3.3Å; A652-A664 WeakPolarHBondContact O-CB 3.25Å; A652-L667 HydrophobicContact CB-CB 4.15Å; A652-L667 HydrophobicContact CB-CD2 4Å; A652-F668 HydrophobicContact CB-CD1 3.68Å; A652-F668 HydrophobicContact CB-CD2 3.86Å; A652-F668 HydrophobicContact CB-CE1 3.4Å; A652-F668 HydrophobicContact CB-CE2 3.62Å; A652-F668 HydrophobicContact CB-CG 3.89Å; A652-F668 HydrophobicContact CB-CZ 3.37Å
653Q87Confident84.9Confident46 Ų4650.9 Ų50.922%0.21530%0.303CS..Hα-helixtrans-61.8-39.6174.3-74.5-169.5-3.100112.6V641 L644 V649 A650 C657 F668 M676V641-Q653 HydrophobicContact CG2-CB 4.13Å; L644-Q653 VanDerWaalsContact CD1-CD 3.49Å; L644-Q653 HydrophobicContact CD1-CG 4.48Å; L644-Q653 VanDerWaalsContact CD1-OE1 3.22Å; V649-Q653 WeakPolarHBondContact O-CG 3.42Å; V649-Q653 PolarHBondContact O-N 2.78Å; A650-Q653 PolarHBondContact O-N 2.89Å; Q653-C657 WeakPolarHBondContact O-CB 3.35Å; Q653-C657 PolarHBondContact O-N 3.02Å; Q653-C657 PolarHBondContact O-SG 3.44Å; Q653-F668 HydrophobicContact CG-CE1 4.43Å; Q653-F668 HydrophobicContact CG-CZ 3.92Å; Q653-M676 HydrophobicContact CG-CE 4.2Å; Q653-M676 VanDerWaalsContact NE2-CE 3.32Å
654V87.5Confident85Confident0 Ų046.8 Ų46.80%027%0.269CS..Hα-helixtrans-62.4-49.1173.5166.10000110.6L614 K615 L617 V641 A650 L651 A652 A656 C657 T658L614-V654 HydrophobicContact CB-CG1 4.46Å; L614-V654 HydrophobicContact CD1-CG2 4.05Å; L614-V654 HydrophobicContact CD2-CG1 3.98Å; L614-V654 HydrophobicContact CD2-CG2 4.42Å; L614-V654 HydrophobicContact CG-CB 4.44Å; L614-V654 HydrophobicContact CG-CG1 3.68Å; L614-V654 HydrophobicContact CG-CG2 3.88Å; K615-V654 HydrophobicContact CG-CG1 4.39Å; L617-V654 HydrophobicContact CD2-CG2 4.18Å; V641-V654 HydrophobicContact CG1-CG2 4.08Å; V641-V654 HydrophobicContact CG2-CG2 4.21Å; A650-V654 WeakPolarHBondContact O-CG2 3.29Å; A650-V654 PolarHBondContact O-N 3.34Å; L651-V654 WeakPolarHBondContact O-CB 3.42Å; L651-V654 PolarHBondContact O-N 3.39Å; A652-V654 VanDerWaalsContact C-N 3.32Å; A652-V654 PolarHBondContact O-N 3.01Å; V654-A656 PolarHBondContact O-N 2.65Å; V654-C657 PolarHBondContact O-N 2.73Å; V654-T658 HydrophobicContact CG1-CG2 4.44Å; V654-T658 WeakPolarHBondContact O-CG2 3.46Å; V654-T658 PolarHBondContact O-N 3.4Å; V654-T658 PolarHBondContact O-OG1 2.83Å
655M88Confident85.2Confident43 Ų4343.9 Ų43.921%0.21225%0.254CS..Hα-helixtrans-57-48.5178.5-76177.5173.300111.3L651 A652 C657 T658 G659 D660 A664L651-M655 HydrophobicContact CD1-CE 4.1Å; L651-M655 HydrophobicContact CD2-CE 3.94Å; L651-M655 HydrophobicContact CG-CE 3.85Å; L651-M655 HydrophobicContact CG-SD 4.29Å; L651-M655 WeakPolarHBondContact O-CG 3.21Å; L651-M655 PolarHBondContact O-N 2.82Å; A652-M655 PolarHBondContact O-N 3.02Å; M655-C657 VanDerWaalsContact C-N 3.33Å; M655-C657 PolarHBondContact O-N 3.43Å; M655-T658 WeakPolarHBondContact CA-OG1 3.45Å; M655-T658 CarbonylContact O-C 3.53Å; M655-T658 PolarHBondContact O-N 3.41Å; M655-T658 PolarHBondContact O-OG1 3.08Å; M655-G659 PolarHBondContact O-N 2.8Å; M655-G659 VanDerWaalsContact O-N 3.08Å; M655-D660 HydrophobicContact CB-CB 4.27Å; M655-D660 PolarHBondContact O-N 3Å; M655-A664 HydrophobicContact CB-CB 3.88Å
656A85.2Confident85.5Confident28 Ų2844.3 Ų44.323%0.23124%0.241CC..Hα-helixtrans-55.9-45.1175.900000112.1A652 V654 T658 G659 A664 M680A652-A656 WeakPolarHBondContact O-CB 3.5Å; A652-A656 PolarHBondContact O-N 3.43Å; V654-A656 PolarHBondContact O-N 2.65Å; A656-T658 VanDerWaalsContact C-N 3.33Å; A656-T658 PolarHBondContact O-N 2.93Å; A656-G659 PolarHBondContact O-N 2.87Å; A656-G659 VanDerWaalsContact O-N 3.17Å; A656-A664 HydrophobicContact CB-CB 4.03Å; A656-M680 HydrophobicContact CB-CG 4.48Å; A656-M680 HydrophobicContact CB-SD 3.55Å; A656-M680 VanDerWaalsContact CB-SD 3.55Å
657C82Confident85.7Confident40 Ų4044.2 Ų44.227%0.2724%0.241SC..Hα-helixtrans-70.2-27.7178.2-70.70000113.7L637 Q653 V654 M655 G659L637-C657 HydrophobicContact CD1-CB 4.32Å; L637-C657 WeakPolarHBondContact CD1-SG 3.14Å; L637-C657 HydrophobicContact CD2-CB 3.41Å; L637-C657 VanDerWaalsContact CD2-CB 3.41Å; L637-C657 HydrophobicContact CG-CB 4.49Å; Q653-C657 WeakPolarHBondContact O-CB 3.35Å; Q653-C657 PolarHBondContact O-N 3.02Å; Q653-C657 PolarHBondContact O-SG 3.44Å; V654-C657 PolarHBondContact O-N 2.73Å; M655-C657 VanDerWaalsContact C-N 3.33Å; M655-C657 PolarHBondContact O-N 3.43Å; C657-G659 VanDerWaalsContact C-N 3.27Å
658T84.2Confident85.8Confident42 Ų4236.1 Ų36.126%0.25821%0.211SC..Hα-helixtrans-81.2-5173.361.40000113.8L611 V654 M655 A656L611-T658 HydrophobicContact CD2-CG2 4.13Å; V654-T658 HydrophobicContact CG1-CG2 4.44Å; V654-T658 WeakPolarHBondContact O-CG2 3.46Å; V654-T658 PolarHBondContact O-N 3.4Å; V654-T658 PolarHBondContact O-OG1 2.83Å; M655-T658 WeakPolarHBondContact CA-OG1 3.45Å; M655-T658 CarbonylContact O-C 3.53Å; M655-T658 PolarHBondContact O-N 3.41Å; M655-T658 PolarHBondContact O-OG1 3.08Å; A656-T658 VanDerWaalsContact C-N 3.33Å; A656-T658 PolarHBondContact O-N 2.93Å
659G83Confident85.8Confident52 Ų5235.3 Ų35.354%0.53621%0.209SC..THydrogen-bonded Turntrans95.84177.700000115.3M655 A656 C657 I661M655-G659 PolarHBondContact O-N 2.8Å; M655-G659 VanDerWaalsContact O-N 3.08Å; A656-G659 PolarHBondContact O-N 2.87Å; A656-G659 VanDerWaalsContact O-N 3.17Å; C657-G659 VanDerWaalsContact C-N 3.27Å; G659-I661 PolarHBondContact O-N 3.37Å
660D85.4Confident85.8Confident64 Ų6438.7 Ų38.734%0.34223%0.232SC..  trans-90.273.9175.9-167.8-4.5000110M655 S663 A664M655-D660 HydrophobicContact CB-CB 4.27Å; M655-D660 PolarHBondContact O-N 3Å; D660-S663 VanDerWaalsContact CG-OG 3.23Å; D660-S663 WeakPolarHBondContact OD1-CB 3.39Å; D660-S663 PolarHBondContact OD1-N 3.29Å; D660-S663 PolarHBondContact OD1-OG 2.83Å; D660-S663 PolarHBondContact OD2-OG 3.06Å; D660-A664 VanDerWaalsContact O-CB 3.27Å; D660-A664 WeakPolarHBondContact O-CB 3.18Å; D660-A664 PolarHBondContact O-N 2.72Å
661I86.2Confident85.5Confident32 Ų3241.8 Ų41.816%0.16425%0.246CC..Hα-helixtrans-73-39.3-168.9-60.1155.6000111.3G659 A664 A665 M680 Y681 L684 M686G659-I661 PolarHBondContact O-N 3.37Å; I661-A664 PolarHBondContact O-N 3.1Å; I661-A665 WeakPolarHBondContact O-CB 3.46Å; I661-A665 PolarHBondContact O-N 2.73Å; I661-M680 HydrophobicContact CG2-CE 3.96Å; I661-M680 HydrophobicContact CG2-SD 4.36Å; I661-Y681 HydrophobicContact CG2-CD1 4.18Å; I661-Y681 HydrophobicContact CG2-CE1 3.72Å; I661-L684 HydrophobicContact CB-CD1 4.24Å; I661-L684 HydrophobicContact CD1-CD1 3.61Å; I661-L684 HydrophobicContact CD1-CD2 4.39Å; I661-L684 HydrophobicContact CG1-CD1 3.67Å; I661-L684 HydrophobicContact CG2-CD1 3.48Å; I661-L684 VanDerWaalsContact CG2-CD1 3.48Å; I661-M686 HydrophobicContact CD1-CE 3.96Å; I661-M686 HydrophobicContact CG2-SD 4.39Å
662D86.7Confident85Confident75 Ų7547 Ų4740%0.40127%0.274SS..Hα-helixtrans-72.5-45.4-175.4-70.5-30.7000111.4A664 A665 E666 Y681 K689D662-A664 VanDerWaalsContact C-N 3.27Å; D662-A664 PolarHBondContact O-N 3.48Å; D662-A665 PolarHBondContact O-N 3.34Å; D662-E666 WeakPolarHBondContact O-CG 3.2Å; D662-E666 PolarHBondContact O-N 3.05Å; D662-Y681 PolarHBondContact OD1-OH 2.98Å; D662-K689 VanDerWaalsContact CG-NZ 3.34Å; D662-K689 IonicContact OD1-NZ 3.57Å; D662-K689 PolarHBondContact OD1-NZ 3.27Å; D662-K689 IonicContact OD2-NZ 3.95Å; D662-K689 PolarHBondContact OD2-NZ 2.93Å
663S87.2Confident84.8Confident46 Ų4651.4 Ų51.432%0.32229%0.292SS..Hα-helixtrans-63.2-35.3174.1-46.50000111.7D660 L667D660-S663 VanDerWaalsContact CG-OG 3.23Å; D660-S663 WeakPolarHBondContact OD1-CB 3.39Å; D660-S663 PolarHBondContact OD1-N 3.29Å; D660-S663 PolarHBondContact OD1-OG 2.83Å; D660-S663 PolarHBondContact OD2-OG 3.06Å; S663-L667 WeakPolarHBondContact O-CB 3.32Å; S663-L667 PolarHBondContact O-N 3.34Å
664A88Confident84.4Confident0 Ų050.2 Ų50.20%029%0.288CS..Hα-helixtrans-64.2-44.3174.100000112.1A652 M655 A656 D660 I661 D662 L667 F668 M680A652-A664 HydrophobicContact CB-CB 4.44Å; A652-A664 VanDerWaalsContact O-CB 3.3Å; A652-A664 WeakPolarHBondContact O-CB 3.25Å; M655-A664 HydrophobicContact CB-CB 3.88Å; A656-A664 HydrophobicContact CB-CB 4.03Å; D660-A664 VanDerWaalsContact O-CB 3.27Å; D660-A664 WeakPolarHBondContact O-CB 3.18Å; D660-A664 PolarHBondContact O-N 2.72Å; I661-A664 PolarHBondContact O-N 3.1Å; D662-A664 VanDerWaalsContact C-N 3.27Å; D662-A664 PolarHBondContact O-N 3.48Å; A664-L667 PolarHBondContact O-N 3.15Å; A664-F668 HydrophobicContact CB-CE2 4.49Å; A664-F668 WeakPolarHBondContact O-CD2 3.13Å; A664-F668 WeakPolarHBondContact O-CG 3.48Å; A664-F668 PolarHBondContact O-N 3.03Å; A664-M680 HydrophobicContact CB-CE 4.36Å; A664-M680 HydrophobicContact CB-SD 4.08Å
665A85.5Confident84.1Confident3 Ų356.4 Ų56.43%0.02532%0.316CS..Hα-helixtrans-64.6-43.5178.400000112I661 D662 L667 F668 C669 M680 Y681I661-A665 WeakPolarHBondContact O-CB 3.46Å; I661-A665 PolarHBondContact O-N 2.73Å; D662-A665 PolarHBondContact O-N 3.34Å; A665-L667 VanDerWaalsContact C-N 3.29Å; A665-L667 PolarHBondContact O-N 3.04Å; A665-F668 PolarHBondContact O-N 3.19Å; A665-C669 WeakPolarHBondContact O-CB 3.45Å; A665-C669 PolarHBondContact O-N 3.47Å; A665-C669 PolarHBondContact O-SG 3.19Å; A665-M680 HydrophobicContact CB-CE 3.66Å; A665-Y681 HydrophobicContact CB-CE1 4.41Å; A665-Y681 HydrophobicContact CB-CE2 3.62Å; A665-Y681 VanDerWaalsContact CB-CZ 3.44Å; A665-Y681 WeakPolarHBondContact CB-OH 3.31Å
666E86.9Confident83.8Confident139 Ų13956.6 Ų56.665%0.6532%0.317SS*.Hα-helixtrans-59.7-41.1174.1-71.9178.3-17600111.4D662 C669 S670D662-E666 WeakPolarHBondContact O-CG 3.2Å; D662-E666 PolarHBondContact O-N 3.05Å; E666-C669 PolarHBondContact O-N 3.48Å; E666-S670 VanDerWaalsContact O-CB 3.29Å; E666-S670 WeakPolarHBondContact O-CB 3.48Å; E666-S670 PolarHBondContact O-N 3.09Å; E666-S670 PolarHBondContact O-OG 3.04Å
667L85.5Confident83.7Confident39 Ų3955.3 Ų55.320%0.20431%0.306CS..Hα-helixtrans-68-39.4177.9-152.781.7000112.3N648 L651 A652 S663 A664 A665 S670 H671N648-L667 HydrophobicContact CB-CD2 4.39Å; N648-L667 VanDerWaalsContact O-CD2 3.24Å; N648-L667 WeakPolarHBondContact O-CD2 3.3Å; L651-L667 HydrophobicContact CB-CD2 3.92Å; L651-L667 HydrophobicContact CD2-CD2 3.94Å; L651-L667 HydrophobicContact CG-CD2 4Å; A652-L667 HydrophobicContact CB-CB 4.15Å; A652-L667 HydrophobicContact CB-CD2 4Å; S663-L667 WeakPolarHBondContact O-CB 3.32Å; S663-L667 PolarHBondContact O-N 3.34Å; A664-L667 PolarHBondContact O-N 3.15Å; A665-L667 VanDerWaalsContact C-N 3.29Å; A665-L667 PolarHBondContact O-N 3.04Å; L667-S670 WeakPolarHBondContact CA-OG 3.44Å; L667-S670 PolarHBondContact O-OG 3.28Å; L667-H671 PolarHBondContact O-ND1 3.44Å
668F86.4Confident83.6Confident6 Ų653.8 Ų53.83%0.02630%0.296CS..Hα-helixtrans-64.5-46.2173.1-76.8-51.8000112V649 A652 Q653 A664 A665 H671 Y673 M676 A677 M680V649-F668 HydrophobicContact CB-CE1 4.49Å; V649-F668 HydrophobicContact CG1-CE1 3.94Å; A652-F668 HydrophobicContact CB-CD1 3.68Å; A652-F668 HydrophobicContact CB-CD2 3.86Å; A652-F668 HydrophobicContact CB-CE1 3.4Å; A652-F668 HydrophobicContact CB-CE2 3.62Å; A652-F668 HydrophobicContact CB-CG 3.89Å; A652-F668 HydrophobicContact CB-CZ 3.37Å; Q653-F668 HydrophobicContact CG-CE1 4.43Å; Q653-F668 HydrophobicContact CG-CZ 3.92Å; A664-F668 HydrophobicContact CB-CE2 4.49Å; A664-F668 WeakPolarHBondContact O-CD2 3.13Å; A664-F668 WeakPolarHBondContact O-CG 3.48Å; A664-F668 PolarHBondContact O-N 3.03Å; A665-F668 PolarHBondContact O-N 3.19Å; F668-H671 PolarHBondContact O-N 2.91Å; F668-Y673 CarbonylContact O-C 3.52Å; F668-Y673 WeakPolarHBondContact O-CA 3.48Å; F668-Y673 PolarHBondContact O-N 2.82Å; F668-M676 HydrophobicContact CD1-CB 3.99Å; F668-M676 HydrophobicContact CD1-CE 4.43Å; F668-M676 HydrophobicContact CD1-SD 4.44Å; F668-M676 HydrophobicContact CE1-CB 4.05Å; F668-M676 HydrophobicContact CE1-CE 3.55Å; F668-M676 HydrophobicContact CE1-SD 4.08Å; F668-M676 HydrophobicContact CG-CB 4.32Å; F668-M676 HydrophobicContact CZ-CB 4.42Å; F668-M676 HydrophobicContact CZ-CE 3.91Å; F668-A677 HydrophobicContact CB-CB 3.82Å; F668-A677 HydrophobicContact CD2-CB 4.34Å; F668-A677 HydrophobicContact CG-CB 4.46Å; F668-M680 HydrophobicContact CD2-CE 4.35Å; F668-M680 HydrophobicContact CD2-SD 4.42Å; F668-M680 HydrophobicContact CE2-CE 4.49Å; F668-M680 HydrophobicContact CE2-SD 3.98Å
669C83.7Confident83.5Confident36 Ų3656.8 Ų56.824%0.24331%0.307CS..Hα-helixtrans-68.5-37.6-177.9-65.10000112.5A665 E666 H671 D672 L693A665-C669 WeakPolarHBondContact O-CB 3.45Å; A665-C669 PolarHBondContact O-N 3.47Å; A665-C669 PolarHBondContact O-SG 3.19Å; E666-C669 PolarHBondContact O-N 3.48Å; C669-H671 PolarHBondContact O-N 3.02Å; C669-D672 PolarHBondContact O-N 3Å; C669-L693 VanDerWaalsContact SG-CD2 3.6Å
670S83.6Confident83.5Confident78 Ų7855.4 Ų55.455%0.54529%0.287SS..Hα-helixtrans-66-16.2177.652.30000114.2E666 L667E666-S670 VanDerWaalsContact O-CB 3.29Å; E666-S670 WeakPolarHBondContact O-CB 3.48Å; E666-S670 PolarHBondContact O-N 3.09Å; E666-S670 PolarHBondContact O-OG 3.04Å; L667-S670 WeakPolarHBondContact CA-OG 3.44Å; L667-S670 PolarHBondContact O-OG 3.28Å
671H80.5Confident83.5Confident69 Ų6953.1 Ų53.132%0.31927%0.273SS..THydrogen-bonded Turntrans-116.126180-63.482.4000112.3N648 L667 F668 C669 Y673N648-H671 PolarHBondContact ND2-CD2 3.07Å; N648-H671 VanDerWaalsContact ND2-CD2 3.29Å; N648-H671 PolarHBondContact ND2-NE2 2.77Å; L667-H671 PolarHBondContact O-ND1 3.44Å; F668-H671 PolarHBondContact O-N 2.91Å; C669-H671 PolarHBondContact O-N 3.02Å; H671-Y673 HydrophobicContact CB-CD2 3.96Å; H671-Y673 HydrophobicContact CB-CE2 4.32Å; H671-Y673 WeakPolarHBondContact O-CD2 3.42Å; H671-Y673 WeakPolarHBondContact O-CE2 3.2Å; H671-Y673 PolarHBondContact O-N 3.49Å; H671-Y673 VanDerWaalsContact O-N 3.08Å
672D76Confident83.3Confident149 Ų14952 Ų5280%0.79727%0.268SS*.THydrogen-bonded Turntrans61.411.4178.1-62.5-32.3000115.8C669 V674C669-D672 PolarHBondContact O-N 3Å; D672-V674 PolarHBondContact O-N 2.86Å; D672-V674 VanDerWaalsContact O-N 3.14Å
673Y81.8Confident82.9Confident93 Ų9354 Ų5437%0.36528%0.279SS..  trans-87.946172.8-65.9-78.6000112D646 V649 F668 H671 E675 M676 A677D646-Y673 VanDerWaalsContact OD2-CE2 3.29Å; D646-Y673 WeakPolarHBondContact OD2-CE2 3.32Å; V649-Y673 HydrophobicContact CG2-CD1 4.2Å; V649-Y673 HydrophobicContact CG2-CD2 3.34Å; V649-Y673 HydrophobicContact CG2-CE1 4.13Å; V649-Y673 HydrophobicContact CG2-CE2 3.26Å; V649-Y673 HydrophobicContact CG2-CG 3.83Å; F668-Y673 CarbonylContact O-C 3.52Å; F668-Y673 WeakPolarHBondContact O-CA 3.48Å; F668-Y673 PolarHBondContact O-N 2.82Å; H671-Y673 HydrophobicContact CB-CD2 3.96Å; H671-Y673 HydrophobicContact CB-CE2 4.32Å; H671-Y673 WeakPolarHBondContact O-CD2 3.42Å; H671-Y673 WeakPolarHBondContact O-CE2 3.2Å; H671-Y673 PolarHBondContact O-N 3.49Å; H671-Y673 VanDerWaalsContact O-N 3.08Å; Y673-E675 PolarHBondContact O-N 2.76Å; Y673-M676 HydrophobicContact CD1-SD 4.09Å; Y673-M676 HydrophobicContact CG-SD 4.45Å; Y673-M676 PolarHBondContact O-N 3.09Å; Y673-M676 VanDerWaalsContact O-N 3.12Å; Y673-A677 PolarHBondContact O-N 3.44Å
674V80Confident82.7Confident21 Ų2155.6 Ų55.613%0.12728%0.283CS..Hα-helixtrans-60.3-34.2-178.3-1730000110.9D672 M676 A677 V678 L693 L697D672-V674 PolarHBondContact O-N 2.86Å; D672-V674 VanDerWaalsContact O-N 3.14Å; V674-M676 VanDerWaalsContact C-N 3.33Å; V674-M676 PolarHBondContact O-N 2.77Å; V674-A677 PolarHBondContact O-N 2.76Å; V674-V678 HydrophobicContact CG1-CG2 4.33Å; V674-V678 WeakPolarHBondContact O-CG2 3.48Å; V674-V678 PolarHBondContact O-N 3.23Å; V674-L693 HydrophobicContact CG1-CB 3.97Å; V674-L693 HydrophobicContact CG1-CD2 4.42Å; V674-L697 HydrophobicContact CB-CD1 3.78Å; V674-L697 HydrophobicContact CB-CD2 4.44Å; V674-L697 HydrophobicContact CB-CG 4.29Å; V674-L697 HydrophobicContact CG1-CD1 3.51Å; V674-L697 HydrophobicContact CG1-CG 4.17Å
675E79.5Confident82.2Confident129 Ų12961.6 Ų61.660%0.60331%0.311SS*.Hα-helixtrans-58-42.7176-65.7-174.4166.700112.4Y673 V678 E679 L697Y673-E675 PolarHBondContact O-N 2.76Å; E675-V678 PolarHBondContact O-N 3.42Å; E675-E679 WeakPolarHBondContact O-CG 3.4Å; E675-E679 PolarHBondContact O-N 3.47Å; E675-L697 HydrophobicContact CG-CD1 4.03Å; E675-L697 HydrophobicContact CG-CD2 3.92Å
676M82.3Confident82.1Confident48 Ų4864.5 Ų64.524%0.23633%0.325CS..Hα-helixtrans-69.8-35.9178.7-68.6-174.364.400112.3V649 Q653 F668 Y673 V674 E679 M680V649-M676 HydrophobicContact CG1-CE 3.58Å; V649-M676 HydrophobicContact CG1-SD 3.67Å; Q653-M676 HydrophobicContact CG-CE 4.2Å; Q653-M676 VanDerWaalsContact NE2-CE 3.32Å; F668-M676 HydrophobicContact CD1-CB 3.99Å; F668-M676 HydrophobicContact CD1-CE 4.43Å; F668-M676 HydrophobicContact CD1-SD 4.44Å; F668-M676 HydrophobicContact CE1-CB 4.05Å; F668-M676 HydrophobicContact CE1-CE 3.55Å; F668-M676 HydrophobicContact CE1-SD 4.08Å; F668-M676 HydrophobicContact CG-CB 4.32Å; F668-M676 HydrophobicContact CZ-CB 4.42Å; F668-M676 HydrophobicContact CZ-CE 3.91Å; Y673-M676 HydrophobicContact CD1-SD 4.09Å; Y673-M676 HydrophobicContact CG-SD 4.45Å; Y673-M676 PolarHBondContact O-N 3.09Å; Y673-M676 VanDerWaalsContact O-N 3.12Å; V674-M676 VanDerWaalsContact C-N 3.33Å; V674-M676 PolarHBondContact O-N 2.77Å; M676-E679 PolarHBondContact O-N 3.12Å; M676-M680 VanDerWaalsContact O-CB 3.25Å; M676-M680 WeakPolarHBondContact O-CB 3.13Å; M676-M680 PolarHBondContact O-N 3.24Å
677A83.5Confident81.5Confident0 Ų060.8 Ų60.80%031%0.307CS..Hα-helixtrans-64.2-42.7173.300000111.2F668 Y673 V674 M680 Y681 L693F668-A677 HydrophobicContact CB-CB 3.82Å; F668-A677 HydrophobicContact CD2-CB 4.34Å; F668-A677 HydrophobicContact CG-CB 4.46Å; Y673-A677 PolarHBondContact O-N 3.44Å; V674-A677 PolarHBondContact O-N 2.76Å; A677-M680 PolarHBondContact O-N 2.95Å; A677-Y681 VanDerWaalsContact O-CD2 3.28Å; A677-Y681 WeakPolarHBondContact O-CD2 3.4Å; A677-Y681 PolarHBondContact O-N 2.9Å; A677-L693 HydrophobicContact CB-CD1 3.91Å
678V80.6Confident81.1Confident8 Ų866.8 Ų66.85%0.04833%0.334CS..Hα-helixtrans-63.1-48.8175.2170.10000110.4V674 E675 M680 Y681 L682 A690 L693 M694 L697V674-V678 HydrophobicContact CG1-CG2 4.33Å; V674-V678 WeakPolarHBondContact O-CG2 3.48Å; V674-V678 PolarHBondContact O-N 3.23Å; E675-V678 PolarHBondContact O-N 3.42Å; V678-M680 VanDerWaalsContact C-N 3.32Å; V678-M680 PolarHBondContact O-N 2.84Å; V678-Y681 PolarHBondContact O-N 2.81Å; V678-L682 HydrophobicContact CG1-CD1 3.67Å; V678-L682 HydrophobicContact CG1-CG 4.22Å; V678-L682 WeakPolarHBondContact O-CB 3.32Å; V678-L682 WeakPolarHBondContact O-CG 3.45Å; V678-L682 PolarHBondContact O-N 3.08Å; V678-A690 HydrophobicContact CG1-CB 4.48Å; V678-L693 HydrophobicContact CG2-CB 3.71Å; V678-L693 HydrophobicContact CG2-CD1 4.41Å; V678-M694 HydrophobicContact CG1-CG 3.78Å; V678-M694 HydrophobicContact CG1-SD 3.81Å; V678-M694 HydrophobicContact CG2-CG 3.95Å; V678-M694 HydrophobicContact CG2-SD 4.49Å; V678-L697 HydrophobicContact CG2-CD1 4.23Å
679E80.6Confident81Confident105 Ų10570 Ų7049%0.49135%0.348SS..Hα-helixtrans-57.7-44.8176.6-77.9-167.3154.800112.2E675 M676 L682 D683E675-E679 WeakPolarHBondContact O-CG 3.4Å; E675-E679 PolarHBondContact O-N 3.47Å; M676-E679 PolarHBondContact O-N 3.12Å; E679-L682 PolarHBondContact O-N 3.07Å; E679-D683 VanDerWaalsContact O-CG 3.29Å; E679-D683 PolarHBondContact O-N 3.32Å
680M84.1Confident80.7Confident23 Ų2368.3 Ų68.311%0.11334%0.336CS..Hα-helixtrans-59.1-47.9176.4178.6-173.667.400111.9A656 I661 A664 A665 F668 M676 A677 V678 L682 D683 L684A656-M680 HydrophobicContact CB-CG 4.48Å; A656-M680 HydrophobicContact CB-SD 3.55Å; A656-M680 VanDerWaalsContact CB-SD 3.55Å; I661-M680 HydrophobicContact CG2-CE 3.96Å; I661-M680 HydrophobicContact CG2-SD 4.36Å; A664-M680 HydrophobicContact CB-CE 4.36Å; A664-M680 HydrophobicContact CB-SD 4.08Å; A665-M680 HydrophobicContact CB-CE 3.66Å; F668-M680 HydrophobicContact CD2-CE 4.35Å; F668-M680 HydrophobicContact CD2-SD 4.42Å; F668-M680 HydrophobicContact CE2-CE 4.49Å; F668-M680 HydrophobicContact CE2-SD 3.98Å; M676-M680 VanDerWaalsContact O-CB 3.25Å; M676-M680 WeakPolarHBondContact O-CB 3.13Å; M676-M680 PolarHBondContact O-N 3.24Å; A677-M680 PolarHBondContact O-N 2.95Å; V678-M680 VanDerWaalsContact C-N 3.32Å; V678-M680 PolarHBondContact O-N 2.84Å; M680-L682 VanDerWaalsContact C-N 3.32Å; M680-L682 PolarHBondContact O-N 2.96Å; M680-D683 PolarHBondContact O-N 2.8Å; M680-L684 HydrophobicContact CG-CD1 4.12Å; M680-L684 WeakPolarHBondContact O-CG 3.34Å; M680-L684 PolarHBondContact O-N 3.02Å
681Y85.8Confident80.3Confident16 Ų1667.9 Ų67.96%0.06333%0.328CS..Hα-helixtrans-65.5-36.1176.9-77.3-47.2000112.4I661 D662 A665 A677 V678 L684 Q685 M686 K689 L693I661-Y681 HydrophobicContact CG2-CD1 4.18Å; I661-Y681 HydrophobicContact CG2-CE1 3.72Å; D662-Y681 PolarHBondContact OD1-OH 2.98Å; A665-Y681 HydrophobicContact CB-CE1 4.41Å; A665-Y681 HydrophobicContact CB-CE2 3.62Å; A665-Y681 VanDerWaalsContact CB-CZ 3.44Å; A665-Y681 WeakPolarHBondContact CB-OH 3.31Å; A677-Y681 VanDerWaalsContact O-CD2 3.28Å; A677-Y681 WeakPolarHBondContact O-CD2 3.4Å; A677-Y681 PolarHBondContact O-N 2.9Å; V678-Y681 PolarHBondContact O-N 2.81Å; Y681-L684 CarbonylContact O-C 3.58Å; Y681-L684 PolarHBondContact O-N 2.88Å; Y681-Q685 PolarHBondContact O-N 3.06Å; Y681-M686 HydrophobicContact CD1-CB 3.77Å; Y681-M686 HydrophobicContact CD1-CG 4.29Å; Y681-M686 HydrophobicContact CD1-SD 3.75Å; Y681-M686 HydrophobicContact CE1-SD 3.88Å; Y681-M686 HydrophobicContact CG-CB 4.32Å; Y681-M686 PolarHBondContact O-N 3.46Å; Y681-K689 HydrophobicContact CD1-CB 4.07Å; Y681-K689 HydrophobicContact CD1-CD 4.2Å; Y681-K689 HydrophobicContact CD2-CB 3.87Å; Y681-K689 HydrophobicContact CE1-CB 4.02Å; Y681-K689 HydrophobicContact CE1-CD 3.51Å; Y681-K689 HydrophobicContact CE1-CG 4.41Å; Y681-K689 HydrophobicContact CE2-CB 3.8Å; Y681-K689 HydrophobicContact CE2-CD 4.41Å; Y681-K689 HydrophobicContact CG-CB 4Å; Y681-L693 HydrophobicContact CD2-CD1 3.91Å; Y681-L693 HydrophobicContact CE2-CD1 3.75Å
682L80.7Confident80.3Confident10 Ų1070.9 Ų70.95%0.05235%0.345CS..Hα-helixtrans-65.6-40.2175.8-69.5172.3000112V678 E679 M680 L684 Q685 F687 A690 L705 K708V678-L682 HydrophobicContact CG1-CD1 3.67Å; V678-L682 HydrophobicContact CG1-CG 4.22Å; V678-L682 WeakPolarHBondContact O-CB 3.32Å; V678-L682 WeakPolarHBondContact O-CG 3.45Å; V678-L682 PolarHBondContact O-N 3.08Å; E679-L682 PolarHBondContact O-N 3.07Å; M680-L682 VanDerWaalsContact C-N 3.32Å; M680-L682 PolarHBondContact O-N 2.96Å; L682-L684 VanDerWaalsContact C-N 3.32Å; L682-L684 PolarHBondContact O-N 3.46Å; L682-Q685 PolarHBondContact O-N 2.64Å; L682-Q685 VanDerWaalsContact O-N 3.15Å; L682-F687 HydrophobicContact CD2-CD1 3.77Å; L682-F687 HydrophobicContact CD2-CE1 3.92Å; L682-A690 HydrophobicContact CD2-CB 3.9Å; L682-A690 HydrophobicContact CG-CB 4.09Å; L682-L705 HydrophobicContact CD1-CD1 4Å; L682-L705 HydrophobicContact CD2-CD1 3.29Å; L682-L705 HydrophobicContact CG-CD1 4.26Å; L682-K708 HydrophobicContact CB-CD 3.72Å; L682-K708 HydrophobicContact CD1-CD 3.93Å; L682-K708 HydrophobicContact CG-CD 4.38Å
683D79.1Confident80.2Confident117 Ų11765.8 Ų65.863%0.62632%0.318SS*.Hα-helixtrans-67.5-33.6176.4-70.5-1.1000111.8E679 M680 Q685 K708E679-D683 VanDerWaalsContact O-CG 3.29Å; E679-D683 PolarHBondContact O-N 3.32Å; M680-D683 PolarHBondContact O-N 2.8Å; D683-Q685 VanDerWaalsContact C-N 3.29Å; D683-K708 IonicContact OD1-NZ 2.87Å; D683-K708 PolarHBondContact OD1-NZ 3.37Å
684L82.1Confident79.5Confident79 Ų7962.3 Ų62.341%0.41431%0.305SS..THydrogen-bonded Turntrans-83.41.5173.4-67.5168.6000114I661 M680 Y681 L682 M686I661-L684 HydrophobicContact CB-CD1 4.24Å; I661-L684 HydrophobicContact CD1-CD1 3.61Å; I661-L684 HydrophobicContact CD1-CD2 4.39Å; I661-L684 HydrophobicContact CG1-CD1 3.67Å; I661-L684 HydrophobicContact CG2-CD1 3.48Å; I661-L684 VanDerWaalsContact CG2-CD1 3.48Å; M680-L684 HydrophobicContact CG-CD1 4.12Å; M680-L684 WeakPolarHBondContact O-CG 3.34Å; M680-L684 PolarHBondContact O-N 3.02Å; Y681-L684 CarbonylContact O-C 3.58Å; Y681-L684 PolarHBondContact O-N 2.88Å; L682-L684 VanDerWaalsContact C-N 3.32Å; L682-L684 PolarHBondContact O-N 3.46Å; L684-M686 VanDerWaalsContact C-N 3.26Å; L684-M686 HydrophobicContact CB-CG 4.22Å; L684-M686 PolarHBondContact O-N 3.3Å
685Q78.7Confident79.1Confident125 Ų12569.8 Ų69.858%0.58434%0.339SS*.THydrogen-bonded Turntrans6127.5-177.9-53179.6-4.700114.7Y681 L682 D683 F687 L712Y681-Q685 PolarHBondContact O-N 3.06Å; L682-Q685 PolarHBondContact O-N 2.64Å; L682-Q685 VanDerWaalsContact O-N 3.15Å; D683-Q685 VanDerWaalsContact C-N 3.29Å; Q685-F687 HydrophobicContact CB-CE2 3.88Å; Q685-F687 HydrophobicContact CB-CZ 3.85Å; Q685-F687 HydrophobicContact CG-CZ 4.25Å; Q685-F687 WeakPolarHBondContact O-CD2 3.29Å; Q685-F687 WeakPolarHBondContact O-CE2 3.36Å; Q685-F687 PolarHBondContact O-N 3.18Å; Q685-L712 HydrophobicContact CG-CD2 4.04Å
686M82.6Confident78.6Confident65 Ų6567.8 Ų67.832%0.3234%0.339SS..  trans-91.366.2175.9-63-173.1-177.800111.5I661 Y681 L684 E688 K689 A690I661-M686 HydrophobicContact CD1-CE 3.96Å; I661-M686 HydrophobicContact CG2-SD 4.39Å; Y681-M686 HydrophobicContact CD1-CB 3.77Å; Y681-M686 HydrophobicContact CD1-CG 4.29Å; Y681-M686 HydrophobicContact CD1-SD 3.75Å; Y681-M686 HydrophobicContact CE1-SD 3.88Å; Y681-M686 HydrophobicContact CG-CB 4.32Å; Y681-M686 PolarHBondContact O-N 3.46Å; L684-M686 VanDerWaalsContact C-N 3.26Å; L684-M686 HydrophobicContact CB-CG 4.22Å; L684-M686 PolarHBondContact O-N 3.3Å; M686-E688 VanDerWaalsContact C-N 3.34Å; M686-E688 PolarHBondContact O-N 3.18Å; M686-K689 PolarHBondContact O-N 2.98Å; M686-K689 HydrophobicContact SD-CD 4.29Å; M686-A690 PolarHBondContact O-N 2.69Å; M686-A690 VanDerWaalsContact O-N 3.09Å
687F73.8Confident77.6Confident60 Ų6068 Ų6826%0.26334%0.341SS..Hα-helixtrans-62.8-33.7-172.8-54.2-68.1000114.7L682 Q685 K689 A690 N691 L712L682-F687 HydrophobicContact CD2-CD1 3.77Å; L682-F687 HydrophobicContact CD2-CE1 3.92Å; Q685-F687 HydrophobicContact CB-CE2 3.88Å; Q685-F687 HydrophobicContact CB-CZ 3.85Å; Q685-F687 HydrophobicContact CG-CZ 4.25Å; Q685-F687 WeakPolarHBondContact O-CD2 3.29Å; Q685-F687 WeakPolarHBondContact O-CE2 3.36Å; Q685-F687 PolarHBondContact O-N 3.18Å; F687-K689 VanDerWaalsContact C-N 3.34Å; F687-K689 PolarHBondContact O-N 2.79Å; F687-A690 PolarHBondContact O-N 2.88Å; F687-N691 WeakPolarHBondContact O-CB 3.37Å; F687-N691 PolarHBondContact O-N 3.46Å; F687-N691 PolarHBondContact O-ND2 3.46Å; F687-L712 HydrophobicContact CE1-CD1 3.24Å; F687-L712 HydrophobicContact CE2-CD1 4.32Å; F687-L712 HydrophobicContact CZ-CD1 3.11Å; F687-L712 HydrophobicContact CZ-CD2 4.33Å; F687-L712 HydrophobicContact CZ-CG 4.19Å
688E78.5Confident76.9Confident165 Ų16569.9 Ų69.977%0.77136%0.361SS*.Hα-helixtrans-60.9-45.7178.7-65.5-176.5172.100110.9M686 N691 L692M686-E688 VanDerWaalsContact C-N 3.34Å; M686-E688 PolarHBondContact O-N 3.18Å; E688-N691 PolarHBondContact O-N 2.84Å; E688-L692 WeakPolarHBondContact O-CG 3.32Å; E688-L692 PolarHBondContact O-N 2.91Å
689K83Confident76.2Confident75 Ų7574.6 Ų74.633%0.32639%0.392SS..Hα-helixtrans-68.6-39176.5-65.5-173.9176178.90112D662 Y681 M686 F687 L692 L693D662-K689 VanDerWaalsContact CG-NZ 3.34Å; D662-K689 IonicContact OD1-NZ 3.57Å; D662-K689 PolarHBondContact OD1-NZ 3.27Å; D662-K689 IonicContact OD2-NZ 3.95Å; D662-K689 PolarHBondContact OD2-NZ 2.93Å; Y681-K689 HydrophobicContact CD1-CB 4.07Å; Y681-K689 HydrophobicContact CD1-CD 4.2Å; Y681-K689 HydrophobicContact CD2-CB 3.87Å; Y681-K689 HydrophobicContact CE1-CB 4.02Å; Y681-K689 HydrophobicContact CE1-CD 3.51Å; Y681-K689 HydrophobicContact CE1-CG 4.41Å; Y681-K689 HydrophobicContact CE2-CB 3.8Å; Y681-K689 HydrophobicContact CE2-CD 4.41Å; Y681-K689 HydrophobicContact CG-CB 4Å; M686-K689 PolarHBondContact O-N 2.98Å; M686-K689 HydrophobicContact SD-CD 4.29Å; F687-K689 VanDerWaalsContact C-N 3.34Å; F687-K689 PolarHBondContact O-N 2.79Å; K689-L692 PolarHBondContact O-N 3.26Å; K689-L693 PolarHBondContact O-N 3.46Å
690A78.3Confident75.3Confident0 Ų072.8 Ų72.80%040%0.395CS..Hα-helixtrans-63.7-41.617600000112.5V678 L682 M686 F687 L693 M694V678-A690 HydrophobicContact CG1-CB 4.48Å; L682-A690 HydrophobicContact CD2-CB 3.9Å; L682-A690 HydrophobicContact CG-CB 4.09Å; M686-A690 PolarHBondContact O-N 2.69Å; M686-A690 VanDerWaalsContact O-N 3.09Å; F687-A690 PolarHBondContact O-N 2.88Å; A690-L693 PolarHBondContact O-N 2.84Å; A690-M694 WeakPolarHBondContact O-CB 3.41Å; A690-M694 WeakPolarHBondContact O-CG 2.75Å; A690-M694 PolarHBondContact O-N 2.89Å
691N74.9Confident74.4Confident68 Ų6872.4 Ų72.436%0.36440%0.395SS..Hα-helixtrans-64.8-42179-74.8-16.5000111.9F687 E688 L693 M694 E695 L705F687-N691 WeakPolarHBondContact O-CB 3.37Å; F687-N691 PolarHBondContact O-N 3.46Å; F687-N691 PolarHBondContact O-ND2 3.46Å; E688-N691 PolarHBondContact O-N 2.84Å; N691-L693 VanDerWaalsContact C-N 3.27Å; N691-L693 PolarHBondContact O-N 2.81Å; N691-M694 PolarHBondContact O-N 2.82Å; N691-E695 PolarHBondContact O-N 2.83Å; N691-L705 WeakPolarHBondContact OD1-CD2 3.31Å
692L80.8Confident73.4Confident132 Ų13273.6 Ų73.669%0.69141%0.406SS*.Hα-helixtrans-59.3-37.2177.1-72.3168.7000112.4E688 K689E688-L692 WeakPolarHBondContact O-CG 3.32Å; E688-L692 PolarHBondContact O-N 2.91Å; K689-L692 PolarHBondContact O-N 3.26Å
693L73.2Confident73Confident42 Ų4279.2 Ų79.222%0.2243%0.426CS..Hα-helixtrans-78.6-30.9177.2-68.5176.8000112.8C669 V674 A677 V678 Y681 K689 A690 N691 E695 S696C669-L693 VanDerWaalsContact SG-CD2 3.6Å; V674-L693 HydrophobicContact CG1-CB 3.97Å; V674-L693 HydrophobicContact CG1-CD2 4.42Å; A677-L693 HydrophobicContact CB-CD1 3.91Å; V678-L693 HydrophobicContact CG2-CB 3.71Å; V678-L693 HydrophobicContact CG2-CD1 4.41Å; Y681-L693 HydrophobicContact CD2-CD1 3.91Å; Y681-L693 HydrophobicContact CE2-CD1 3.75Å; K689-L693 PolarHBondContact O-N 3.46Å; A690-L693 PolarHBondContact O-N 2.84Å; N691-L693 VanDerWaalsContact C-N 3.27Å; N691-L693 PolarHBondContact O-N 2.81Å; L693-E695 PolarHBondContact O-N 2.97Å; L693-S696 PolarHBondContact O-N 3.35Å; L693-S696 PolarHBondContact O-OG 2.97Å
694M67.6Low72.7Confident20 Ų2078.3 Ų78.310%0.09942%0.422CS..Hα-helixtrans-71.2-24.8-176.6-81.1-89.9-63.100114.8V678 A690 N691 S696 L697 A701 S702 L705V678-M694 HydrophobicContact CG1-CG 3.78Å; V678-M694 HydrophobicContact CG1-SD 3.81Å; V678-M694 HydrophobicContact CG2-CG 3.95Å; V678-M694 HydrophobicContact CG2-SD 4.49Å; A690-M694 WeakPolarHBondContact O-CB 3.41Å; A690-M694 WeakPolarHBondContact O-CG 2.75Å; A690-M694 PolarHBondContact O-N 2.89Å; N691-M694 PolarHBondContact O-N 2.82Å; M694-S696 PolarHBondContact O-N 3.49Å; M694-L697 PolarHBondContact O-N 3.29Å; M694-A701 HydrophobicContact CE-CB 4.06Å; M694-A701 WeakPolarHBondContact CE-O 3.33Å; M694-A701 HydrophobicContact SD-CB 3.61Å; M694-S702 VanDerWaalsContact CE-CA 3.45Å; M694-L705 HydrophobicContact CE-CB 3.48Å; M694-L705 VanDerWaalsContact CE-CB 3.48Å; M694-L705 HydrophobicContact CE-CD2 3.64Å; M694-L705 HydrophobicContact CE-CG 4.13Å
695E70.3Confident72.3Confident179 Ų17975.2 Ų75.284%0.83641%0.405SS*.THydrogen-bonded Turntrans-53.9-20.6173.5-71.5-172.5172.100112.2N691 L693N691-E695 PolarHBondContact O-N 2.83Å; L693-E695 PolarHBondContact O-N 2.97Å
696S69.5Low72.3Confident87 Ų8772 Ų7261%0.60839%0.391SS*.THydrogen-bonded Turntrans-87-22.1177.572.20000116.2L693 M694L693-S696 PolarHBondContact O-N 3.35Å; L693-S696 PolarHBondContact O-OG 2.97Å; M694-S696 PolarHBondContact O-N 3.49Å
697L61.6Low72.2Confident51 Ų5173.7 Ų73.727%0.26739%0.394SS..SBendtrans-104.86.4-161.9-80.5164.3000116.3V674 E675 V678 M694 A701V674-L697 HydrophobicContact CB-CD1 3.78Å; V674-L697 HydrophobicContact CB-CD2 4.44Å; V674-L697 HydrophobicContact CB-CG 4.29Å; V674-L697 HydrophobicContact CG1-CD1 3.51Å; V674-L697 HydrophobicContact CG1-CG 4.17Å; E675-L697 HydrophobicContact CG-CD1 4.03Å; E675-L697 HydrophobicContact CG-CD2 3.92Å; V678-L697 HydrophobicContact CG2-CD1 4.23Å; M694-L697 PolarHBondContact O-N 3.29Å; L697-A701 HydrophobicContact CB-CB 3.96Å
698G68.3Low72.3Confident41 Ų4173.1 Ų73.142%0.42339%0.391SS..Hα-helixtrans72-174.517200000116.2A700 S702G698-A700 PolarHBondContact O-N 3.39Å; G698-S702 PolarHBondContact O-N 2.97Å
699P66.4Low72.4Confident107 Ų10767.4 Ų67.470%0.69536%0.364SS*.Hα-helixtrans-76-25-162.527.2-34.2000115.2S702 R703P699-S702 WeakPolarHBondContact O-CB 3.25Å; P699-S702 PolarHBondContact O-N 3.12Å; P699-R703 PolarHBondContact O-N 3.03Å
700A62.1Low72.3Confident67 Ų6763.8 Ų63.855%0.55435%0.349SS*.Hα-helixtrans-68.2-42.7179.200000111.6G698 S702 R703 N704G698-A700 PolarHBondContact O-N 3.39Å; A700-S702 VanDerWaalsContact C-N 3.29Å; A700-S702 PolarHBondContact O-N 2.8Å; A700-R703 PolarHBondContact O-N 3.05Å; A700-R703 VanDerWaalsContact O-N 3.17Å; A700-N704 PolarHBondContact O-N 3.37Å
701A64Low72.4Confident15 Ų1566.8 Ų66.812%0.12436%0.364CS..Hα-helixtrans-62.7-38173.400000111.2M694 L697 R703 N704 L705M694-A701 HydrophobicContact CE-CB 4.06Å; M694-A701 WeakPolarHBondContact CE-O 3.33Å; M694-A701 HydrophobicContact SD-CB 3.61Å; L697-A701 HydrophobicContact CB-CB 3.96Å; A701-R703 PolarHBondContact O-N 2.97Å; A701-N704 PolarHBondContact O-N 2.88Å; A701-N704 VanDerWaalsContact O-N 3.13Å; A701-L705 PolarHBondContact O-N 3.15Å
702S66.7Low72.4Confident41 Ų4165.3 Ų65.329%0.28736%0.356SS..Hα-helixtrans-57-34.2174.2-169.40000113.3M694 G698 P699 A700 M706M694-S702 VanDerWaalsContact CE-CA 3.45Å; G698-S702 PolarHBondContact O-N 2.97Å; P699-S702 WeakPolarHBondContact O-CB 3.25Å; P699-S702 PolarHBondContact O-N 3.12Å; A700-S702 VanDerWaalsContact C-N 3.29Å; A700-S702 PolarHBondContact O-N 2.8Å; S702-M706 VanDerWaalsContact O-CG 3.28Å; S702-M706 WeakPolarHBondContact O-CG 3.37Å; S702-M706 PolarHBondContact O-N 3.46Å
703R72Confident72.4Confident128 Ų12859.4 Ų59.448%0.48333%0.327SS..Hα-helixtrans-69-43175.5-66.9-177.4-172.6156-0.4112.2P699 A700 A701 L705 M706 R707P699-R703 PolarHBondContact O-N 3.03Å; A700-R703 PolarHBondContact O-N 3.05Å; A700-R703 VanDerWaalsContact O-N 3.17Å; A701-R703 PolarHBondContact O-N 2.97Å; R703-L705 VanDerWaalsContact C-N 3.32Å; R703-L705 PolarHBondContact O-N 3.43Å; R703-M706 PolarHBondContact O-N 2.92Å; R703-R707 WeakPolarHBondContact O-CB 3.33Å; R703-R707 PolarHBondContact O-N 3.12Å
704N71.3Confident72.7Confident98 Ų9862.7 Ų62.752%0.52434%0.337SS..Hα-helixtrans-65.1-37.6176.8-75.2-14.7000111.9A700 A701 R707 K708A700-N704 PolarHBondContact O-N 3.37Å; A701-N704 PolarHBondContact O-N 2.88Å; A701-N704 VanDerWaalsContact O-N 3.13Å; N704-R707 PolarHBondContact O-N 2.94Å; N704-K708 PolarHBondContact O-N 2.79Å
705L73.6Confident73.3Confident14 Ų1468.8 Ų68.87%0.07337%0.365CS..Hα-helixtrans-60.8-50.7170.717669.8000111.1L682 N691 M694 A701 R703 R707 K708 Q709L682-L705 HydrophobicContact CD1-CD1 4Å; L682-L705 HydrophobicContact CD2-CD1 3.29Å; L682-L705 HydrophobicContact CG-CD1 4.26Å; N691-L705 WeakPolarHBondContact OD1-CD2 3.31Å; M694-L705 HydrophobicContact CE-CB 3.48Å; M694-L705 VanDerWaalsContact CE-CB 3.48Å; M694-L705 HydrophobicContact CE-CD2 3.64Å; M694-L705 HydrophobicContact CE-CG 4.13Å; A701-L705 PolarHBondContact O-N 3.15Å; R703-L705 VanDerWaalsContact C-N 3.32Å; R703-L705 PolarHBondContact O-N 3.43Å; L705-R707 VanDerWaalsContact C-N 3.26Å; L705-R707 PolarHBondContact O-N 3.47Å; L705-K708 PolarHBondContact O-N 2.89Å; L705-K708 VanDerWaalsContact O-N 3.16Å; L705-Q709 HydrophobicContact CD1-CG 4.03Å; L705-Q709 HydrophobicContact CG-CG 4.17Å; L705-Q709 VanDerWaalsContact O-CB 3.32Å; L705-Q709 WeakPolarHBondContact O-CB 3.43Å; L705-Q709 VanDerWaalsContact O-CG 3.31Å; L705-Q709 WeakPolarHBondContact O-CG 3.41Å; L705-Q709 PolarHBondContact O-N 2.87Å
706M79.5Confident73.8Confident56 Ų5664.3 Ų64.328%0.27635%0.353SS..Hα-helixtrans-58.1-39.8177.7-74.1178-175.500111.4S702 R703 Q709 A710 L725 A728 A729S702-M706 VanDerWaalsContact O-CG 3.28Å; S702-M706 WeakPolarHBondContact O-CG 3.37Å; S702-M706 PolarHBondContact O-N 3.46Å; R703-M706 PolarHBondContact O-N 2.92Å; M706-Q709 PolarHBondContact O-N 3.47Å; M706-A710 WeakPolarHBondContact O-CB 3.24Å; M706-A710 PolarHBondContact O-N 3.36Å; M706-L725 HydrophobicContact CB-CD2 4.39Å; M706-L725 HydrophobicContact CG-CD2 4.21Å; M706-A728 HydrophobicContact SD-CB 4.03Å; M706-A729 HydrophobicContact CB-CB 4.31Å
707R80.2Confident74.2Confident101 Ų10166.2 Ų66.238%0.38136%0.356SS..Hα-helixtrans-61.9-48.2173.9-177.3-166.2173.7140.6-8.9112.3R703 N704 L705 A710 L711 Y726 E731 K734R703-R707 WeakPolarHBondContact O-CB 3.33Å; R703-R707 PolarHBondContact O-N 3.12Å; N704-R707 PolarHBondContact O-N 2.94Å; L705-R707 VanDerWaalsContact C-N 3.26Å; L705-R707 PolarHBondContact O-N 3.47Å; R707-A710 WeakPolarHBondContact O-CB 3.07Å; R707-A710 PolarHBondContact O-N 2.94Å; R707-L711 WeakPolarHBondContact O-CG 3.04Å; R707-L711 PolarHBondContact O-N 3.35Å; R707-Y726 HydrophobicContact CG-CE1 4.35Å; R707-E731 WeakPolarHBondContact CD-OE1 3.23Å; R707-E731 IonicContact CZ-OE1 2.55Å; R707-E731 VanDerWaalsContact CZ-OE1 3.23Å; R707-E731 IonicContact CZ-OE2 3.32Å; R707-E731 IonicContact NE-OE1 2.73Å; R707-E731 PolarHBondContact NE-OE1 3.38Å; R707-E731 IonicContact NE-OE2 3.76Å; R707-E731 IonicContact NH1-OE1 2.73Å; R707-E731 PolarHBondContact NH1-OE1 3.41Å; R707-E731 IonicContact NH1-OE2 3.76Å; R707-K734 VanDerWaalsContact CZ-NZ 3.31Å
708K76.7Confident75.4Confident49 Ų4966.9 Ų66.921%0.21336%0.361CS..Hα-helixtrans-67-42.1177.7-74.6-164.2-178.9-173.60111.1L682 D683 N704 L705 A710 L711 L712L682-K708 HydrophobicContact CB-CD 3.72Å; L682-K708 HydrophobicContact CD1-CD 3.93Å; L682-K708 HydrophobicContact CG-CD 4.38Å; D683-K708 IonicContact OD1-NZ 2.87Å; D683-K708 PolarHBondContact OD1-NZ 3.37Å; N704-K708 PolarHBondContact O-N 2.79Å; L705-K708 PolarHBondContact O-N 2.89Å; L705-K708 VanDerWaalsContact O-N 3.16Å; K708-A710 VanDerWaalsContact C-N 3.28Å; K708-A710 PolarHBondContact O-N 3.33Å; K708-L711 WeakPolarHBondContact O-CB 3.36Å; K708-L711 PolarHBondContact O-N 3.13Å; K708-L712 WeakPolarHBondContact O-CB 3.22Å; K708-L712 VanDerWaalsContact O-CD1 3.25Å; K708-L712 WeakPolarHBondContact O-CD1 3.2Å; K708-L712 VanDerWaalsContact O-CG 3.31Å; K708-L712 WeakPolarHBondContact O-CG 3.18Å; K708-L712 PolarHBondContact O-N 2.93Å
709Q80.1Confident76.1Confident44 Ų4466.1 Ų66.121%0.20635%0.346CS..Hα-helixtrans-60.6-37.6173-74178.7-16.200111.8L705 M706 L712 A713 L725L705-Q709 HydrophobicContact CD1-CG 4.03Å; L705-Q709 HydrophobicContact CG-CG 4.17Å; L705-Q709 VanDerWaalsContact O-CB 3.32Å; L705-Q709 WeakPolarHBondContact O-CB 3.43Å; L705-Q709 VanDerWaalsContact O-CG 3.31Å; L705-Q709 WeakPolarHBondContact O-CG 3.41Å; L705-Q709 PolarHBondContact O-N 2.87Å; M706-Q709 PolarHBondContact O-N 3.47Å; Q709-L712 PolarHBondContact O-N 2.92Å; Q709-A713 VanDerWaalsContact O-CB 3.24Å; Q709-A713 WeakPolarHBondContact O-CB 3.44Å; Q709-A713 PolarHBondContact O-N 3.05Å; Q709-L725 HydrophobicContact CB-CD1 3.93Å
710A80.3Confident77Confident0 Ų066.3 Ų66.30%034%0.338CS..Hα-helixtrans-63.1-49173.300000110.7M706 R707 K708 L712 A713 Y714 S722 L725 Y726M706-A710 WeakPolarHBondContact O-CB 3.24Å; M706-A710 PolarHBondContact O-N 3.36Å; R707-A710 WeakPolarHBondContact O-CB 3.07Å; R707-A710 PolarHBondContact O-N 2.94Å; K708-A710 VanDerWaalsContact C-N 3.28Å; K708-A710 PolarHBondContact O-N 3.33Å; A710-L712 PolarHBondContact O-N 3.42Å; A710-A713 PolarHBondContact O-N 3.44Å; A710-Y714 WeakPolarHBondContact O-CB 3.48Å; A710-Y714 PolarHBondContact O-N 3.29Å; A710-S722 PolarHBondContact O-OG 3.37Å; A710-L725 HydrophobicContact CB-CB 3.65Å; A710-L725 HydrophobicContact CB-CD1 4.43Å; A710-Y726 HydrophobicContact CB-CD1 3.79Å; A710-Y726 HydrophobicContact CB-CD2 3.78Å; A710-Y726 HydrophobicContact CB-CE1 3.68Å; A710-Y726 HydrophobicContact CB-CE2 3.69Å; A710-Y726 HydrophobicContact CB-CG 3.84Å
711L81.9Confident78Confident63 Ų6370.2 Ų70.233%0.3334%0.339SS..Hα-helixtrans-56.2-38.5174.9-75.6165000112.5R707 K708 Y714 H715 Y726R707-L711 WeakPolarHBondContact O-CG 3.04Å; R707-L711 PolarHBondContact O-N 3.35Å; K708-L711 WeakPolarHBondContact O-CB 3.36Å; K708-L711 PolarHBondContact O-N 3.13Å; L711-Y714 WeakPolarHBondContact O-CB 3.29Å; L711-H715 PolarHBondContact O-CD2 3.08Å; L711-H715 PolarHBondContact O-N 3.2Å; L711-Y726 WeakPolarHBondContact CD2-OH 3.26Å; L711-Y726 WeakPolarHBondContact CG-OH 3.4Å
712L74.8Confident79.1Confident37 Ų3769.5 Ų69.519%0.19433%0.333CS..Hα-helixtrans-76.8-40.5179.3-71.4153.8000112.3Q685 F687 K708 Q709 A710 Y714 H715 S716Q685-L712 HydrophobicContact CG-CD2 4.04Å; F687-L712 HydrophobicContact CE1-CD1 3.24Å; F687-L712 HydrophobicContact CE2-CD1 4.32Å; F687-L712 HydrophobicContact CZ-CD1 3.11Å; F687-L712 HydrophobicContact CZ-CD2 4.33Å; F687-L712 HydrophobicContact CZ-CG 4.19Å; K708-L712 WeakPolarHBondContact O-CB 3.22Å; K708-L712 VanDerWaalsContact O-CD1 3.25Å; K708-L712 WeakPolarHBondContact O-CD1 3.2Å; K708-L712 VanDerWaalsContact O-CG 3.31Å; K708-L712 WeakPolarHBondContact O-CG 3.18Å; K708-L712 PolarHBondContact O-N 2.93Å; Q709-L712 PolarHBondContact O-N 2.92Å; A710-L712 PolarHBondContact O-N 3.42Å; L712-Y714 PolarHBondContact O-N 2.84Å; L712-H715 CarbonylContact O-C 3.56Å; L712-H715 PolarHBondContact O-N 3.36Å; L712-H715 VanDerWaalsContact O-N 3.12Å; L712-S716 WeakPolarHBondContact O-CB 3.21Å; L712-S716 PolarHBondContact O-N 3.17Å; L712-S716 PolarHBondContact O-OG 2.99Å
713A79.8Confident80Confident8 Ų867.6 Ų67.67%0.06632%0.319CS..Hα-helixtrans-58.1-39.7171.300000110.6Q709 A710 S716 N717 D718Q709-A713 VanDerWaalsContact O-CB 3.24Å; Q709-A713 WeakPolarHBondContact O-CB 3.44Å; Q709-A713 PolarHBondContact O-N 3.05Å; A710-A713 PolarHBondContact O-N 3.44Å; A713-S716 VanDerWaalsContact CA-OG 3.3Å; A713-S716 WeakPolarHBondContact CA-OG 3.38Å; A713-S716 CarbonylContact O-C 3.42Å; A713-S716 PolarHBondContact O-N 3.34Å; A713-S716 PolarHBondContact O-OG 2.57Å; A713-N717 PolarHBondContact O-N 2.92Å; A713-N717 VanDerWaalsContact O-N 3.12Å; A713-D718 PolarHBondContact O-N 2.75Å
714Y80.4Confident80.6Confident110 Ų11065.6 Ų65.643%0.43132%0.318SS..Hα-helixtrans-59.9-50171.2179.7-107.3000112A710 L711 L712 S716 N717 L719 L738A710-Y714 WeakPolarHBondContact O-CB 3.48Å; A710-Y714 PolarHBondContact O-N 3.29Å; L711-Y714 WeakPolarHBondContact O-CB 3.29Å; L712-Y714 PolarHBondContact O-N 2.84Å; Y714-S716 VanDerWaalsContact C-N 3.31Å; Y714-S716 PolarHBondContact O-N 2.93Å; Y714-N717 WeakPolarHBondContact O-CA 3.5Å; Y714-N717 PolarHBondContact O-N 3.39Å; Y714-L719 HydrophobicContact CD2-CD2 3.53Å; Y714-L719 HydrophobicContact CE2-CD2 3.85Å; Y714-L738 HydrophobicContact CD2-CD2 3.57Å; Y714-L738 HydrophobicContact CD2-CG 4.45Å; Y714-L738 HydrophobicContact CE2-CD2 3.54Å; Y714-L738 HydrophobicContact CE2-CG 4.48Å
715H79.5Confident81.3Confident148 Ų14862.1 Ų62.169%0.68530%0.299SS*.Hα-helixtrans-64.9-30.7176.2-74.6-51.9000113.8L711 L712 N717L711-H715 PolarHBondContact O-CD2 3.08Å; L711-H715 PolarHBondContact O-N 3.2Å; L712-H715 CarbonylContact O-C 3.56Å; L712-H715 PolarHBondContact O-N 3.36Å; L712-H715 VanDerWaalsContact O-N 3.12Å; H715-N717 PolarHBondContact O-N 3.03Å
716S80.2Confident82Confident85 Ų8561.8 Ų61.859%0.59430%0.297SS*.THydrogen-bonded Turntrans-81.95.6172.967.10000113.3L712 A713 Y714 D718L712-S716 WeakPolarHBondContact O-CB 3.21Å; L712-S716 PolarHBondContact O-N 3.17Å; L712-S716 PolarHBondContact O-OG 2.99Å; A713-S716 VanDerWaalsContact CA-OG 3.3Å; A713-S716 WeakPolarHBondContact CA-OG 3.38Å; A713-S716 CarbonylContact O-C 3.42Å; A713-S716 PolarHBondContact O-N 3.34Å; A713-S716 PolarHBondContact O-OG 2.57Å; Y714-S716 VanDerWaalsContact C-N 3.31Å; Y714-S716 PolarHBondContact O-N 2.93Å; S716-D718 VanDerWaalsContact C-N 3.26Å; S716-D718 PolarHBondContact O-N 2.85Å
717N79.6Confident82.2Confident127 Ų12761.1 Ų61.168%0.67930%0.296SS*.THydrogen-bonded Turntrans63.822.8179-150.132.9000114.9A713 Y714 H715 L719A713-N717 PolarHBondContact O-N 2.92Å; A713-N717 VanDerWaalsContact O-N 3.12Å; Y714-N717 WeakPolarHBondContact O-CA 3.5Å; Y714-N717 PolarHBondContact O-N 3.39Å; H715-N717 PolarHBondContact O-N 3.03Å; N717-L719 PolarHBondContact O-N 2.95Å
718D85.3Confident82.3Confident66 Ų6659 Ų5935%0.35330%0.301SS..  trans-94.574.7171-173-2.8000109.3A713 S716 R721 S722A713-D718 PolarHBondContact O-N 2.75Å; S716-D718 VanDerWaalsContact C-N 3.26Å; S716-D718 PolarHBondContact O-N 2.85Å; D718-R721 HydrophobicContact CB-CB 4.49Å; D718-R721 VanDerWaalsContact CG-CB 3.47Å; D718-R721 WeakPolarHBondContact OD1-CB 3.44Å; D718-R721 PolarHBondContact OD1-N 2.81Å; D718-R721 WeakPolarHBondContact OD2-CB 3.29Å; D718-R721 WeakPolarHBondContact OD2-CD 3.24Å; D718-S722 WeakPolarHBondContact O-CB 3.4Å; D718-S722 PolarHBondContact O-N 3.24Å
719L84.3Confident82.6Confident24 Ų2457.2 Ų57.213%0.12629%0.294CS..Hα-helixtrans-70.8-31.3-168.6-57.7176.8000113.1Y714 N717 C723 L738 Q742 W744Y714-L719 HydrophobicContact CD2-CD2 3.53Å; Y714-L719 HydrophobicContact CE2-CD2 3.85Å; N717-L719 PolarHBondContact O-N 2.95Å; L719-C723 VanDerWaalsContact O-CB 3.3Å; L719-C723 WeakPolarHBondContact O-CB 3.45Å; L719-C723 PolarHBondContact O-N 2.83Å; L719-L738 HydrophobicContact CD2-CD2 4.09Å; L719-Q742 VanDerWaalsContact CD1-CD 3.5Å; L719-Q742 HydrophobicContact CD1-CG 3.97Å; L719-W744 HydrophobicContact CB-CH2 4.43Å
720E84.1Confident82.6Confident112 Ų11260.5 Ų60.552%0.52331%0.31SS..Hα-helixtrans-66-52.2176.7-73-173172.100110.5S722 C723 D724 W744E720-S722 VanDerWaalsContact C-N 3.31Å; E720-S722 PolarHBondContact O-N 3.26Å; E720-C723 WeakPolarHBondContact O-CB 3.19Å; E720-C723 PolarHBondContact O-N 2.97Å; E720-C723 VanDerWaalsContact O-N 3.14Å; E720-D724 PolarHBondContact O-N 2.85Å; E720-W744 HydrophobicContact CB-CH2 4.28Å; E720-W744 HydrophobicContact CG-CH2 3.59Å; E720-W744 HydrophobicContact CG-CZ2 3.87Å
721R84.7Confident82.8Confident149 Ų14962.4 Ų62.456%0.56232%0.319SS*.Hα-helixtrans-61.6-41.2177-172.6179.6-178.4157.21.2111.6D718 C723 D724 L725D718-R721 HydrophobicContact CB-CB 4.49Å; D718-R721 VanDerWaalsContact CG-CB 3.47Å; D718-R721 WeakPolarHBondContact OD1-CB 3.44Å; D718-R721 PolarHBondContact OD1-N 2.81Å; D718-R721 WeakPolarHBondContact OD2-CB 3.29Å; D718-R721 WeakPolarHBondContact OD2-CD 3.24Å; R721-C723 VanDerWaalsContact C-N 3.3Å; R721-C723 PolarHBondContact O-N 2.79Å; R721-D724 PolarHBondContact O-N 3.02Å; R721-L725 HydrophobicContact CG-CD1 3.99Å; R721-L725 HydrophobicContact CG-CG 4.37Å; R721-L725 WeakPolarHBondContact O-CB 3.14Å; R721-L725 WeakPolarHBondContact O-CG 3.2Å; R721-L725 PolarHBondContact O-N 2.83Å
722S86.5Confident82.9Confident0 Ų062.4 Ų62.40%032%0.315CS..Hα-helixtrans-56.9-46174.6178.60000111.6A710 D718 E720 L725 Y726A710-S722 PolarHBondContact O-OG 3.37Å; D718-S722 WeakPolarHBondContact O-CB 3.4Å; D718-S722 PolarHBondContact O-N 3.24Å; E720-S722 VanDerWaalsContact C-N 3.31Å; E720-S722 PolarHBondContact O-N 3.26Å; S722-L725 PolarHBondContact O-N 2.91Å; S722-Y726 WeakPolarHBondContact O-CD2 3.47Å; S722-Y726 PolarHBondContact O-N 2.86Å; S722-Y726 VanDerWaalsContact OG-CE2 3.29Å; S722-Y726 WeakPolarHBondContact OG-CE2 3.08Å
723C84.6Confident83.3Confident0 Ų065.8 Ų65.80%033%0.33CS..Hα-helixtrans-65.6-46.9-178.8-170.20000111.2L719 E720 R721 L725 Y726 V727 M739 W744L719-C723 VanDerWaalsContact O-CB 3.3Å; L719-C723 WeakPolarHBondContact O-CB 3.45Å; L719-C723 PolarHBondContact O-N 2.83Å; E720-C723 WeakPolarHBondContact O-CB 3.19Å; E720-C723 PolarHBondContact O-N 2.97Å; E720-C723 VanDerWaalsContact O-N 3.14Å; R721-C723 VanDerWaalsContact C-N 3.3Å; R721-C723 PolarHBondContact O-N 2.79Å; C723-L725 VanDerWaalsContact C-N 3.28Å; C723-L725 PolarHBondContact O-N 3.32Å; C723-Y726 PolarHBondContact O-N 2.82Å; C723-Y726 VanDerWaalsContact O-N 3.11Å; C723-V727 WeakPolarHBondContact O-CG2 3.42Å; C723-V727 PolarHBondContact O-N 2.73Å; C723-M739 WeakPolarHBondContact SG-CE 3.38Å; C723-W744 HydrophobicContact CB-CZ3 3.94Å
724D85.9Confident83.6Confident86 Ų8667.8 Ų67.846%0.4634%0.337SS..Hα-helixtrans-61.9-37.4178.3-64.6-14.9000111.5E720 R721 V727 A728 R747E720-D724 PolarHBondContact O-N 2.85Å; R721-D724 PolarHBondContact O-N 3.02Å; D724-V727 PolarHBondContact O-N 2.96Å; D724-A728 VanDerWaalsContact O-CB 3.25Å; D724-A728 WeakPolarHBondContact O-CB 3.42Å; D724-A728 PolarHBondContact O-N 2.93Å; D724-R747 IonicContact OD1-CZ 2.92Å; D724-R747 IonicContact OD1-NH1 2.6Å; D724-R747 PolarHBondContact OD1-NH1 2.83Å
725L86Confident83.8Confident26 Ų2662.5 Ų62.514%0.13632%0.316CS..Hα-helixtrans-67.4-37.9174-72.2170.7000112.6M706 Q709 A710 R721 S722 C723 A728 A729M706-L725 HydrophobicContact CB-CD2 4.39Å; M706-L725 HydrophobicContact CG-CD2 4.21Å; Q709-L725 HydrophobicContact CB-CD1 3.93Å; A710-L725 HydrophobicContact CB-CB 3.65Å; A710-L725 HydrophobicContact CB-CD1 4.43Å; R721-L725 HydrophobicContact CG-CD1 3.99Å; R721-L725 HydrophobicContact CG-CG 4.37Å; R721-L725 WeakPolarHBondContact O-CB 3.14Å; R721-L725 WeakPolarHBondContact O-CG 3.2Å; R721-L725 PolarHBondContact O-N 2.83Å; S722-L725 PolarHBondContact O-N 2.91Å; C723-L725 VanDerWaalsContact C-N 3.28Å; C723-L725 PolarHBondContact O-N 3.32Å; L725-A728 PolarHBondContact O-N 3.19Å; L725-A729 VanDerWaalsContact O-CB 3.28Å; L725-A729 WeakPolarHBondContact O-CB 3.43Å; L725-A729 PolarHBondContact O-N 3.31Å
726Y88.2Confident84.1Confident7 Ų755.5 Ų55.53%0.02728%0.284CS..Hα-helixtrans-67.6-41.1173.7-78.6-56.4000112.5R707 A710 L711 S722 C723 A729 Q730 E731 K734 L738R707-Y726 HydrophobicContact CG-CE1 4.35Å; A710-Y726 HydrophobicContact CB-CD1 3.79Å; A710-Y726 HydrophobicContact CB-CD2 3.78Å; A710-Y726 HydrophobicContact CB-CE1 3.68Å; A710-Y726 HydrophobicContact CB-CE2 3.69Å; A710-Y726 HydrophobicContact CB-CG 3.84Å; L711-Y726 WeakPolarHBondContact CD2-OH 3.26Å; L711-Y726 WeakPolarHBondContact CG-OH 3.4Å; S722-Y726 WeakPolarHBondContact O-CD2 3.47Å; S722-Y726 PolarHBondContact O-N 2.86Å; S722-Y726 VanDerWaalsContact OG-CE2 3.29Å; S722-Y726 WeakPolarHBondContact OG-CE2 3.08Å; C723-Y726 PolarHBondContact O-N 2.82Å; C723-Y726 VanDerWaalsContact O-N 3.11Å; Y726-A729 CarbonylContact O-C 3.54Å; Y726-A729 PolarHBondContact O-N 3.22Å; Y726-Q730 PolarHBondContact O-N 3.41Å; Y726-Q730 VanDerWaalsContact O-N 3.16Å; Y726-E731 HydrophobicContact CD1-CB 4.18Å; Y726-E731 PolarHBondContact O-N 3.27Å; Y726-K734 HydrophobicContact CD1-CB 4.11Å; Y726-K734 HydrophobicContact CD1-CD 4.14Å; Y726-K734 HydrophobicContact CD2-CB 4.34Å; Y726-K734 HydrophobicContact CE1-CB 4.15Å; Y726-K734 HydrophobicContact CE1-CD 3.53Å; Y726-K734 HydrophobicContact CE2-CB 4.36Å; Y726-K734 HydrophobicContact CG-CB 4.21Å; Y726-L738 HydrophobicContact CD2-CD1 3.49Å; Y726-L738 VanDerWaalsContact CD2-CD1 3.49Å; Y726-L738 HydrophobicContact CE2-CD1 3.52Å
727V84.2Confident84.3Confident41 Ų4156.1 Ų56.125%0.24828%0.277CS..Hα-helixtrans-63.9-43.1174.8174.80000110.4C723 D724 A729 Q730 A735 M739 L751C723-V727 WeakPolarHBondContact O-CG2 3.42Å; C723-V727 PolarHBondContact O-N 2.73Å; D724-V727 PolarHBondContact O-N 2.96Å; V727-A729 VanDerWaalsContact C-N 3.29Å; V727-A729 PolarHBondContact O-N 2.96Å; V727-Q730 PolarHBondContact O-N 3.36Å; V727-A735 HydrophobicContact CG2-CB 3.74Å; V727-M739 HydrophobicContact CG2-CE 4.06Å; V727-L751 HydrophobicContact CG2-CD1 4.37Å
728A82.1Confident84.6Confident58 Ų5850.6 Ų50.648%0.47925%0.248SC..Hα-helixtrans-63.8-33.5174.600000112.7M706 D724 L725 Q730M706-A728 HydrophobicContact SD-CB 4.03Å; D724-A728 VanDerWaalsContact O-CB 3.25Å; D724-A728 WeakPolarHBondContact O-CB 3.42Å; D724-A728 PolarHBondContact O-N 2.93Å; L725-A728 PolarHBondContact O-N 3.19Å; A728-Q730 PolarHBondContact O-N 2.99Å
729A82.2Confident84.7Confident10 Ų1047.7 Ų47.78%0.08323%0.232CC..THydrogen-bonded Turntrans-75.3-3172.500000113.8M706 L725 Y726 V727 E731M706-A729 HydrophobicContact CB-CB 4.31Å; L725-A729 VanDerWaalsContact O-CB 3.28Å; L725-A729 WeakPolarHBondContact O-CB 3.43Å; L725-A729 PolarHBondContact O-N 3.31Å; Y726-A729 CarbonylContact O-C 3.54Å; Y726-A729 PolarHBondContact O-N 3.22Å; V727-A729 VanDerWaalsContact C-N 3.29Å; V727-A729 PolarHBondContact O-N 2.96Å; A729-E731 PolarHBondContact O-N 3.18Å
730Q81.1Confident84.6Confident113 Ų11348.5 Ų48.553%0.52824%0.238SC..THydrogen-bonded Turntrans6121.6-173.4-58178.6-20.100114Y726 V727 A728 Y732Y726-Q730 PolarHBondContact O-N 3.41Å; Y726-Q730 VanDerWaalsContact O-N 3.16Å; V727-Q730 PolarHBondContact O-N 3.36Å; A728-Q730 PolarHBondContact O-N 2.99Å; Q730-Y732 HydrophobicContact CB-CE2 4.49Å; Q730-Y732 PolarHBondContact O-N 3.23Å
731E83Confident84.6Confident41 Ų4146 Ų4619%0.19223%0.233CC..  trans-89.272.4172.5-70.3-162.2-174.500110.4R707 Y726 A729 E733 K734 A735R707-E731 WeakPolarHBondContact CD-OE1 3.23Å; R707-E731 IonicContact CZ-OE1 2.55Å; R707-E731 VanDerWaalsContact CZ-OE1 3.23Å; R707-E731 IonicContact CZ-OE2 3.32Å; R707-E731 IonicContact NE-OE1 2.73Å; R707-E731 PolarHBondContact NE-OE1 3.38Å; R707-E731 IonicContact NE-OE2 3.76Å; R707-E731 IonicContact NH1-OE1 2.73Å; R707-E731 PolarHBondContact NH1-OE1 3.41Å; R707-E731 IonicContact NH1-OE2 3.76Å; Y726-E731 HydrophobicContact CD1-CB 4.18Å; Y726-E731 PolarHBondContact O-N 3.27Å; A729-E731 PolarHBondContact O-N 3.18Å; E731-E733 VanDerWaalsContact C-N 3.25Å; E731-E733 PolarHBondContact O-N 2.84Å; E731-K734 WeakPolarHBondContact OE2-CD 3.37Å; E731-K734 WeakPolarHBondContact OE2-CE 3.26Å; E731-K734 IonicContact OE2-NZ 3.85Å; E731-K734 PolarHBondContact OE2-NZ 3.38Å; E731-A735 PolarHBondContact O-N 2.97Å
732Y84.4Confident84.5Confident62 Ų6242.9 Ų42.924%0.24323%0.225CC..Hα-helixtrans-62.6-30.1-176.4-56.4-61.3000113.5Q730 A735 V736 L751 L762Q730-Y732 HydrophobicContact CB-CE2 4.49Å; Q730-Y732 PolarHBondContact O-N 3.23Å; Y732-A735 PolarHBondContact O-N 3.33Å; Y732-V736 WeakPolarHBondContact O-CB 3.19Å; Y732-V736 VanDerWaalsContact O-CG2 3.3Å; Y732-V736 WeakPolarHBondContact O-CG2 2.77Å; Y732-V736 PolarHBondContact O-N 3.35Å; Y732-L751 HydrophobicContact CD1-CD1 3.86Å; Y732-L751 HydrophobicContact CE1-CD1 4.29Å; Y732-L762 VanDerWaalsContact CB-CD2 3.5Å; Y732-L762 HydrophobicContact CG-CD2 4.48Å
733E84.6Confident84.3Confident109 Ų10948.6 Ų48.651%0.50925%0.251SS..Hα-helixtrans-62.2-51.5-179.4-173.3171.7-155.300112.8E731 A735 V736 E737 L762 K765E731-E733 VanDerWaalsContact C-N 3.25Å; E731-E733 PolarHBondContact O-N 2.84Å; E733-A735 VanDerWaalsContact C-N 3.29Å; E733-A735 PolarHBondContact O-N 3.12Å; E733-V736 WeakPolarHBondContact O-CB 3.46Å; E733-V736 PolarHBondContact O-N 2.95Å; E733-E737 WeakPolarHBondContact O-CG 3.35Å; E733-E737 PolarHBondContact O-N 3.06Å; E733-L762 HydrophobicContact CB-CD1 4.22Å; E733-K765 IonicContact OE1-NZ 2.64Å; E733-K765 PolarHBondContact OE1-NZ 3.33Å
734K84.4Confident84.4Confident49 Ų4951 Ų5121%0.21326%0.261CS..Hα-helixtrans-68-33176.3-67.1-176.1-169151.10112.2R707 Y726 E731 E737 L738R707-K734 VanDerWaalsContact CZ-NZ 3.31Å; Y726-K734 HydrophobicContact CD1-CB 4.11Å; Y726-K734 HydrophobicContact CD1-CD 4.14Å; Y726-K734 HydrophobicContact CD2-CB 4.34Å; Y726-K734 HydrophobicContact CE1-CB 4.15Å; Y726-K734 HydrophobicContact CE1-CD 3.53Å; Y726-K734 HydrophobicContact CE2-CB 4.36Å; Y726-K734 HydrophobicContact CG-CB 4.21Å; E731-K734 WeakPolarHBondContact OE2-CD 3.37Å; E731-K734 WeakPolarHBondContact OE2-CE 3.26Å; E731-K734 IonicContact OE2-NZ 3.85Å; E731-K734 PolarHBondContact OE2-NZ 3.38Å; K734-E737 PolarHBondContact O-N 2.83Å; K734-L738 WeakPolarHBondContact O-CB 3.45Å; K734-L738 PolarHBondContact O-N 3.48Å
735A85.2Confident84.1Confident0 Ų048.9 Ų48.90%025%0.25CS..Hα-helixtrans-63.1-43.9173.600000110.8V727 E731 Y732 E733 L738 M739V727-A735 HydrophobicContact CG2-CB 3.74Å; E731-A735 PolarHBondContact O-N 2.97Å; Y732-A735 PolarHBondContact O-N 3.33Å; E733-A735 VanDerWaalsContact C-N 3.29Å; E733-A735 PolarHBondContact O-N 3.12Å; A735-L738 PolarHBondContact O-N 2.74Å; A735-M739 HydrophobicContact CB-CE 4.01Å; A735-M739 WeakPolarHBondContact O-CG 3.28Å; A735-M739 PolarHBondContact O-N 3.24Å
736V85.1Confident83.9Confident1 Ų151.3 Ų51.31%0.00627%0.27CS..Hα-helixtrans-59.1-53.7173.2169.10000110Y732 E733 L738 M739 T740 L748 L751 L762 K765 I766Y732-V736 WeakPolarHBondContact O-CB 3.19Å; Y732-V736 VanDerWaalsContact O-CG2 3.3Å; Y732-V736 WeakPolarHBondContact O-CG2 2.77Å; Y732-V736 PolarHBondContact O-N 3.35Å; E733-V736 WeakPolarHBondContact O-CB 3.46Å; E733-V736 PolarHBondContact O-N 2.95Å; V736-L738 PolarHBondContact O-N 2.93Å; V736-M739 CarbonylContact O-C 3.57Å; V736-M739 PolarHBondContact O-N 2.92Å; V736-T740 HydrophobicContact CG1-CG2 3.92Å; V736-T740 VanDerWaalsContact O-CG2 3.29Å; V736-T740 WeakPolarHBondContact O-CG2 3.15Å; V736-T740 PolarHBondContact O-N 3.11Å; V736-T740 PolarHBondContact O-OG1 2.9Å; V736-L748 HydrophobicContact CG1-CD2 4.08Å; V736-L751 HydrophobicContact CG2-CD2 3.37Å; V736-L762 HydrophobicContact CB-CD1 4.05Å; V736-L762 HydrophobicContact CG1-CD1 4.49Å; V736-L762 HydrophobicContact CG2-CD1 3.67Å; V736-L762 HydrophobicContact CG2-CG 4.09Å; V736-K765 HydrophobicContact CG1-CB 4.33Å; V736-I766 HydrophobicContact CG1-CG1 3.85Å; V736-I766 HydrophobicContact CG2-CD1 3.83Å; V736-I766 HydrophobicContact CG2-CG1 3.76Å
737E85.2Confident83.8Confident98 Ų9854.8 Ų54.846%0.45828%0.283SS..Hα-helixtrans-54.7-38.5-179.8-72.3175.1-179.700113.1E733 K734 T740 S741 K765E733-E737 WeakPolarHBondContact O-CG 3.35Å; E733-E737 PolarHBondContact O-N 3.06Å; K734-E737 PolarHBondContact O-N 2.83Å; E737-T740 VanDerWaalsContact CA-OG1 3.31Å; E737-T740 WeakPolarHBondContact CA-OG1 3.24Å; E737-T740 PolarHBondContact O-OG1 2.9Å; E737-S741 WeakPolarHBondContact O-CB 3.39Å; E737-S741 PolarHBondContact O-N 3.21Å; E737-K765 IonicContact OE1-NZ 2.79Å
738L85.6Confident83.8Confident10 Ų1052.9 Ų52.95%0.05227%0.271CS..Hα-helixtrans-66-49.9173.4-92.4165.6000112.4Y714 L719 Y726 K734 A735 V736 T740 S741 Q742Y714-L738 HydrophobicContact CD2-CD2 3.57Å; Y714-L738 HydrophobicContact CD2-CG 4.45Å; Y714-L738 HydrophobicContact CE2-CD2 3.54Å; Y714-L738 HydrophobicContact CE2-CG 4.48Å; L719-L738 HydrophobicContact CD2-CD2 4.09Å; Y726-L738 HydrophobicContact CD2-CD1 3.49Å; Y726-L738 VanDerWaalsContact CD2-CD1 3.49Å; Y726-L738 HydrophobicContact CE2-CD1 3.52Å; K734-L738 WeakPolarHBondContact O-CB 3.45Å; K734-L738 PolarHBondContact O-N 3.48Å; A735-L738 PolarHBondContact O-N 2.74Å; V736-L738 PolarHBondContact O-N 2.93Å; L738-T740 VanDerWaalsContact C-N 3.28Å; L738-T740 PolarHBondContact O-N 3.44Å; L738-S741 PolarHBondContact O-N 2.88Å; L738-S741 PolarHBondContact O-OG 3.19Å; L738-Q742 PolarHBondContact O-N 3.25Å; L738-Q742 VanDerWaalsContact O-N 3.14Å
739M86.9Confident83.8Confident6 Ų651.1 Ų51.13%0.0325%0.254CS..Hα-helixtrans-62.9-36.3179.5-65.6178.7-149.600112C723 V727 A735 V736 Q742 H743 W744 R747 L748 L751C723-M739 WeakPolarHBondContact SG-CE 3.38Å; V727-M739 HydrophobicContact CG2-CE 4.06Å; A735-M739 HydrophobicContact CB-CE 4.01Å; A735-M739 WeakPolarHBondContact O-CG 3.28Å; A735-M739 PolarHBondContact O-N 3.24Å; V736-M739 CarbonylContact O-C 3.57Å; V736-M739 PolarHBondContact O-N 2.92Å; M739-Q742 PolarHBondContact O-N 3.11Å; M739-H743 PolarHBondContact O-N 3.23Å; M739-W744 HydrophobicContact CB-CB 4.24Å; M739-W744 HydrophobicContact CG-CE3 4.03Å; M739-W744 PolarHBondContact O-N 3.35Å; M739-R747 HydrophobicContact CG-CB 4.4Å; M739-R747 HydrophobicContact SD-CB 3.71Å; M739-L748 HydrophobicContact CB-CD1 4.21Å; M739-L748 HydrophobicContact CB-CD2 3.92Å; M739-L748 HydrophobicContact CB-CG 3.7Å; M739-L748 HydrophobicContact SD-CG 4.36Å; M739-L751 HydrophobicContact CE-CB 4.45Å; M739-L751 HydrophobicContact CE-CD1 4.24Å; M739-L751 HydrophobicContact CE-CD2 3.76Å; M739-L751 HydrophobicContact CE-CG 4.38Å; M739-L751 HydrophobicContact SD-CB 4.41Å; M739-L751 HydrophobicContact SD-CD2 4.13Å
740T83Confident83.9Confident41 Ų4154.4 Ų54.425%0.25227%0.27SS..Hα-helixtrans-67.3-42.5175.556.40000110.9V736 E737 L738 Q742 H743 L748 A769V736-T740 HydrophobicContact CG1-CG2 3.92Å; V736-T740 VanDerWaalsContact O-CG2 3.29Å; V736-T740 WeakPolarHBondContact O-CG2 3.15Å; V736-T740 PolarHBondContact O-N 3.11Å; V736-T740 PolarHBondContact O-OG1 2.9Å; E737-T740 VanDerWaalsContact CA-OG1 3.31Å; E737-T740 WeakPolarHBondContact CA-OG1 3.24Å; E737-T740 PolarHBondContact O-OG1 2.9Å; L738-T740 VanDerWaalsContact C-N 3.28Å; L738-T740 PolarHBondContact O-N 3.44Å; T740-Q742 PolarHBondContact O-N 3.01Å; T740-H743 PolarHBondContact O-N 2.96Å; T740-H743 VanDerWaalsContact O-N 3.16Å; T740-L748 HydrophobicContact CG2-CD1 4.08Å; T740-L748 HydrophobicContact CG2-CD2 3.85Å; T740-A769 HydrophobicContact CG2-CB 3.17Å
741S84Confident84.1Confident60 Ų6049.3 Ų49.342%0.4225%0.246SC..Hα-helixtrans-61.1-34.317775.90000113E737 L738 H743E737-S741 WeakPolarHBondContact O-CB 3.39Å; E737-S741 PolarHBondContact O-N 3.21Å; L738-S741 PolarHBondContact O-N 2.88Å; L738-S741 PolarHBondContact O-OG 3.19Å; S741-H743 PolarHBondContact O-ND1 2.85Å; S741-H743 VanDerWaalsContact O-ND1 3.13Å
742Q82.4Confident84Confident82 Ų8247.6 Ų47.638%0.38324%0.239SC..THydrogen-bonded Turntrans-94.43.4179.9-63.2-57.4-46.100113.8L719 L738 M739 T740 W744L719-Q742 VanDerWaalsContact CD1-CD 3.5Å; L719-Q742 HydrophobicContact CD1-CG 3.97Å; L738-Q742 PolarHBondContact O-N 3.25Å; L738-Q742 VanDerWaalsContact O-N 3.14Å; M739-Q742 PolarHBondContact O-N 3.11Å; T740-Q742 PolarHBondContact O-N 3.01Å; Q742-W744 HydrophobicContact CB-CD2 3.91Å; Q742-W744 HydrophobicContact CB-CG 4.02Å; Q742-W744 HydrophobicContact CB-CZ2 4.08Å; Q742-W744 HydrophobicContact CG-CZ2 4.16Å; Q742-W744 VanDerWaalsContact O-CD1 3.25Å; Q742-W744 PolarHBondContact O-N 3.49Å
743H82.2Confident84Confident120 Ų12053.2 Ų53.256%0.55626%0.26SS*.THydrogen-bonded Turntrans56.738.2179.4-51.557.4000112.1M739 T740 S741 T745 D773M739-H743 PolarHBondContact O-N 3.23Å; T740-H743 PolarHBondContact O-N 2.96Å; T740-H743 VanDerWaalsContact O-N 3.16Å; S741-H743 PolarHBondContact O-ND1 2.85Å; S741-H743 VanDerWaalsContact O-ND1 3.13Å; H743-T745 VanDerWaalsContact C-N 3.26Å; H743-T745 PolarHBondContact O-N 3.01Å; H743-D773 IonicContact CD2-OD1 2.79Å; H743-D773 PolarHBondContact CD2-OD1 2.81Å; H743-D773 IonicContact CG-OD1 3.26Å; H743-D773 IonicContact NE2-OD1 3.45Å
744W85.9Confident83.9Confident52 Ų5254 Ų5420%0.19726%0.263CS..  trans-82.965.5-179-70.2-8.9000111.9L719 E720 C723 M739 Q742 S746 R747 L748L719-W744 HydrophobicContact CB-CH2 4.43Å; E720-W744 HydrophobicContact CB-CH2 4.28Å; E720-W744 HydrophobicContact CG-CH2 3.59Å; E720-W744 HydrophobicContact CG-CZ2 3.87Å; C723-W744 HydrophobicContact CB-CZ3 3.94Å; M739-W744 HydrophobicContact CB-CB 4.24Å; M739-W744 HydrophobicContact CG-CE3 4.03Å; M739-W744 PolarHBondContact O-N 3.35Å; Q742-W744 HydrophobicContact CB-CD2 3.91Å; Q742-W744 HydrophobicContact CB-CG 4.02Å; Q742-W744 HydrophobicContact CB-CZ2 4.08Å; Q742-W744 HydrophobicContact CG-CZ2 4.16Å; Q742-W744 VanDerWaalsContact O-CD1 3.25Å; Q742-W744 PolarHBondContact O-N 3.49Å; W744-S746 VanDerWaalsContact C-N 3.29Å; W744-S746 PolarHBondContact O-N 2.73Å; W744-R747 HydrophobicContact CB-CB 4.22Å; W744-R747 PolarHBondContact O-N 2.82Å; W744-L748 PolarHBondContact O-N 2.93Å
745T80Confident83.7Confident40 Ų4051.8 Ų51.825%0.24525%0.254CS..Hα-helixtrans-52.5-41-175.857.50000113.9H743 L748 I749 L770 D773 E775H743-T745 VanDerWaalsContact C-N 3.26Å; H743-T745 PolarHBondContact O-N 3.01Å; T745-L748 PolarHBondContact O-N 3.37Å; T745-I749 PolarHBondContact O-N 3.47Å; T745-L770 HydrophobicContact CG2-CD2 4.3Å; T745-D773 HydrophobicContact CG2-CB 4.1Å; T745-D773 WeakPolarHBondContact CG2-OD2 3.33Å; T745-E775 HydrophobicContact CG2-CG 4.29Å
746S82.3Confident83.3Confident78 Ų7855.6 Ų55.655%0.54528%0.279SS..Hα-helixtrans-67.9-35.7178.8650000113.7W744 I749 N750W744-S746 VanDerWaalsContact C-N 3.29Å; W744-S746 PolarHBondContact O-N 2.73Å; S746-I749 WeakPolarHBondContact O-CG2 3.34Å; S746-N750 VanDerWaalsContact O-CG 3.28Å; S746-N750 PolarHBondContact O-N 3.28Å; S746-N750 PolarHBondContact O-ND2 3.46Å; S746-N750 VanDerWaalsContact O-ND2 3.13Å
747R85.6Confident82.7Confident80 Ų8063 Ų6330%0.30231%0.313SS..Hα-helixtrans-76-39174.8-68.7-165.9-179.4-154.75.1110.7D724 M739 W744 I749 N750 L751D724-R747 IonicContact OD1-CZ 2.92Å; D724-R747 IonicContact OD1-NH1 2.6Å; D724-R747 PolarHBondContact OD1-NH1 2.83Å; M739-R747 HydrophobicContact CG-CB 4.4Å; M739-R747 HydrophobicContact SD-CB 3.71Å; W744-R747 HydrophobicContact CB-CB 4.22Å; W744-R747 PolarHBondContact O-N 2.82Å; R747-I749 PolarHBondContact O-N 3.31Å; R747-N750 PolarHBondContact O-N 3.21Å; R747-L751 WeakPolarHBondContact O-CB 3.32Å; R747-L751 PolarHBondContact O-N 2.82Å
748L83.9Confident82.1Confident0 Ų061.5 Ų61.50%032%0.324CS..Hα-helixtrans-57-46175.8-84.4159.2000112.2V736 M739 T740 W744 T745 L751 A752 I766V736-L748 HydrophobicContact CG1-CD2 4.08Å; M739-L748 HydrophobicContact CB-CD1 4.21Å; M739-L748 HydrophobicContact CB-CD2 3.92Å; M739-L748 HydrophobicContact CB-CG 3.7Å; M739-L748 HydrophobicContact SD-CG 4.36Å; T740-L748 HydrophobicContact CG2-CD1 4.08Å; T740-L748 HydrophobicContact CG2-CD2 3.85Å; W744-L748 PolarHBondContact O-N 2.93Å; T745-L748 PolarHBondContact O-N 3.37Å; L748-L751 PolarHBondContact O-N 3.07Å; L748-A752 WeakPolarHBondContact O-CB 3.48Å; L748-A752 PolarHBondContact O-N 3.2Å; L748-I766 HydrophobicContact CB-CG2 4.25Å; L748-I766 HydrophobicContact CD2-CG1 4.01Å; L748-I766 HydrophobicContact CD2-CG2 4.17Å
749I82.5Confident81.8Confident22 Ų2264.8 Ų64.811%0.11334%0.342CS..Hα-helixtrans-71-36.9178.9-165.164.6000112.4T745 S746 R747 L751 A752 R753 V782T745-I749 PolarHBondContact O-N 3.47Å; S746-I749 WeakPolarHBondContact O-CG2 3.34Å; R747-I749 PolarHBondContact O-N 3.31Å; I749-L751 VanDerWaalsContact C-N 3.28Å; I749-L751 PolarHBondContact O-N 2.9Å; I749-A752 HydrophobicContact CD1-CB 4.44Å; I749-A752 PolarHBondContact O-N 2.79Å; I749-R753 VanDerWaalsContact O-CG 3.32Å; I749-R753 WeakPolarHBondContact O-CG 3.42Å; I749-R753 PolarHBondContact O-N 3.3Å; I749-V782 HydrophobicContact CD1-CG2 4.2Å
750N84.7Confident81.5Confident78 Ų7867.6 Ų67.642%0.41736%0.359SS..Hα-helixtrans-64.6-37.6174.4-75.7-24.5000111.1S746 R747 R753 Q754S746-N750 VanDerWaalsContact O-CG 3.28Å; S746-N750 PolarHBondContact O-N 3.28Å; S746-N750 PolarHBondContact O-ND2 3.46Å; S746-N750 VanDerWaalsContact O-ND2 3.13Å; R747-N750 PolarHBondContact O-N 3.21Å; N750-R753 PolarHBondContact O-N 3.46Å; N750-Q754 WeakPolarHBondContact O-CG 3.37Å; N750-Q754 PolarHBondContact O-N 3.32Å; N750-Q754 VanDerWaalsContact O-N 3.17Å
751L84.7Confident81.4Confident6 Ų670.7 Ų70.73%0.03137%0.374CS..Hα-helixtrans-66.7-45.4172.7-163.474.8000111.3V727 Y732 V736 M739 R747 L748 I749 R753 Q754 I755V727-L751 HydrophobicContact CG2-CD1 4.37Å; Y732-L751 HydrophobicContact CD1-CD1 3.86Å; Y732-L751 HydrophobicContact CE1-CD1 4.29Å; V736-L751 HydrophobicContact CG2-CD2 3.37Å; M739-L751 HydrophobicContact CE-CB 4.45Å; M739-L751 HydrophobicContact CE-CD1 4.24Å; M739-L751 HydrophobicContact CE-CD2 3.76Å; M739-L751 HydrophobicContact CE-CG 4.38Å; M739-L751 HydrophobicContact SD-CB 4.41Å; M739-L751 HydrophobicContact SD-CD2 4.13Å; R747-L751 WeakPolarHBondContact O-CB 3.32Å; R747-L751 PolarHBondContact O-N 2.82Å; L748-L751 PolarHBondContact O-N 3.07Å; I749-L751 VanDerWaalsContact C-N 3.28Å; I749-L751 PolarHBondContact O-N 2.9Å; L751-R753 PolarHBondContact O-N 3.24Å; L751-R753 VanDerWaalsContact O-N 3.17Å; L751-Q754 CarbonylContact O-C 3.37Å; L751-Q754 WeakPolarHBondContact O-CA 3.27Å; L751-Q754 WeakPolarHBondContact O-CB 3.16Å; L751-Q754 PolarHBondContact O-N 3.4Å; L751-I755 HydrophobicContact CD2-CD1 4.13Å; L751-I755 HydrophobicContact CG-CD1 3.85Å; L751-I755 HydrophobicContact CG-CG1 4.29Å; L751-I755 WeakPolarHBondContact O-CD1 3.38Å; L751-I755 VanDerWaalsContact O-CG1 3.23Å; L751-I755 WeakPolarHBondContact O-CG1 3.32Å; L751-I755 PolarHBondContact O-N 3.32Å
752A82.4Confident81.4Confident6 Ų668.6 Ų68.65%0.0536%0.358CS..Hα-helixtrans-58.9-2817600000113.6L748 I749 L763 I766 K785L748-A752 WeakPolarHBondContact O-CB 3.48Å; L748-A752 PolarHBondContact O-N 3.2Å; I749-A752 HydrophobicContact CD1-CB 4.44Å; I749-A752 PolarHBondContact O-N 2.79Å; A752-L763 HydrophobicContact CB-CD2 4.09Å; A752-I766 HydrophobicContact CB-CD1 3.93Å; A752-I766 HydrophobicContact CB-CG2 4.1Å; A752-K785 PolarHBondContact O-NZ 3.02Å; A752-K785 VanDerWaalsContact O-NZ 3.08Å
753R83.5Confident81.5Confident180 Ų18064.8 Ų64.868%0.67934%0.34SS*.Hα-helixtrans-76.7-32.5172-70.9171.8-176.4165.60.2113I749 N750 L751I749-R753 VanDerWaalsContact O-CG 3.32Å; I749-R753 WeakPolarHBondContact O-CG 3.42Å; I749-R753 PolarHBondContact O-N 3.3Å; N750-R753 PolarHBondContact O-N 3.46Å; L751-R753 PolarHBondContact O-N 3.24Å; L751-R753 VanDerWaalsContact O-N 3.17Å
754Q82.3Confident81.6Confident124 Ų12464 Ų6458%0.57933%0.333SS*.Hα-helixtrans-79-29.4176.7-71.5177.66.300112.7N750 L751N750-Q754 WeakPolarHBondContact O-CG 3.37Å; N750-Q754 PolarHBondContact O-N 3.32Å; N750-Q754 VanDerWaalsContact O-N 3.17Å; L751-Q754 CarbonylContact O-C 3.37Å; L751-Q754 WeakPolarHBondContact O-CA 3.27Å; L751-Q754 WeakPolarHBondContact O-CB 3.16Å; L751-Q754 PolarHBondContact O-N 3.4Å
755I80.9Confident81.6Confident3 Ų365.1 Ų65.12%0.01534%0.339CS..SBendtrans-67.6129-180-68.7158.1000109.8L751 D759 L762 L763 I766 K785L751-I755 HydrophobicContact CD2-CD1 4.13Å; L751-I755 HydrophobicContact CG-CD1 3.85Å; L751-I755 HydrophobicContact CG-CG1 4.29Å; L751-I755 WeakPolarHBondContact O-CD1 3.38Å; L751-I755 VanDerWaalsContact O-CG1 3.23Å; L751-I755 WeakPolarHBondContact O-CG1 3.32Å; L751-I755 PolarHBondContact O-N 3.32Å; I755-D759 HydrophobicContact CG2-CB 3.66Å; I755-L762 HydrophobicContact CD1-CD2 3.33Å; I755-L762 HydrophobicContact CD1-CG 3.83Å; I755-L762 HydrophobicContact CG1-CD2 3.79Å; I755-L762 HydrophobicContact CG2-CD2 4.16Å; I755-L763 HydrophobicContact CG2-CD2 4.44Å; I755-L763 HydrophobicContact CG2-CG 4.3Å; I755-I766 HydrophobicContact CD1-CD1 3.44Å; I755-I766 VanDerWaalsContact CD1-CD1 3.44Å; I755-K785 PolarHBondContact O-NZ 3.07Å
756P76.6Confident81.9Confident80 Ų8063.2 Ų63.252%0.51933%0.327SS..  trans-55.9146.9174.5-2231.6000112.1G758 D759P756-G758 PolarHBondContact O-N 2.94Å; P756-D759 PolarHBondContact O-N 3.02Å; P756-D759 VanDerWaalsContact O-N 3.16Å
757E72.3Confident82Confident156 Ų15659.5 Ų59.573%0.72930%0.301SS*.THydrogen-bonded Turntrans-58.6-17.3177.6-77.3172.7-177.800114.1
758G71.7Confident82.1Confident67 Ų6760.8 Ų60.869%0.69131%0.31SS*.THydrogen-bonded Turntrans-73.6-20.4177.100000115.6P756 V760P756-G758 PolarHBondContact O-N 2.94Å; G758-V760 VanDerWaalsContact C-N 3.3Å; G758-V760 PolarHBondContact O-N 3.16Å
759D79.3Confident82.1Confident80 Ų8061.2 Ų61.243%0.42831%0.314SS..  trans-87.567.8-178.2-95.2-30.1000111.6I755 P756 D761 L762 L763I755-D759 HydrophobicContact CG2-CB 3.66Å; P756-D759 PolarHBondContact O-N 3.02Å; P756-D759 VanDerWaalsContact O-N 3.16Å; D759-D761 VanDerWaalsContact C-N 3.27Å; D759-D761 PolarHBondContact O-N 3.15Å; D759-L762 HydrophobicContact CB-CB 4.22Å; D759-L762 PolarHBondContact O-N 2.76Å; D759-L763 WeakPolarHBondContact O-CG 3.48Å; D759-L763 PolarHBondContact O-N 3.23Å; D759-L763 VanDerWaalsContact O-N 3.1Å
760V80.5Confident82.3Confident65 Ų6560.2 Ų60.239%0.39431%0.309SS..Hα-helixtrans-56.1-40.3-177.7-177.30000111.7G758 R764 L786G758-V760 VanDerWaalsContact C-N 3.3Å; G758-V760 PolarHBondContact O-N 3.16Å; V760-R764 WeakPolarHBondContact O-CB 3.46Å; V760-R764 PolarHBondContact O-N 3.32Å; V760-L786 HydrophobicContact CB-CD2 4.29Å; V760-L786 HydrophobicContact CG1-CD2 3.68Å
761D81.9Confident82.3Confident106 Ų10659.4 Ų59.457%0.56730%0.3SS*.Hα-helixtrans-70.1-40.1-176.2-67.1-31.4000112.6D759 R764 K765D759-D761 VanDerWaalsContact C-N 3.27Å; D759-D761 PolarHBondContact O-N 3.15Å; D761-R764 WeakPolarHBondContact O-CB 3.36Å; D761-R764 PolarHBondContact O-N 3.19Å; D761-R764 IonicContact OD1-CZ 3.98Å; D761-R764 IonicContact OD1-NH1 2.77Å; D761-R764 PolarHBondContact OD1-NH1 3.28Å; D761-R764 IonicContact OD1-NH2 3.32Å; D761-K765 PolarHBondContact O-N 3.02Å
762L83.1Confident82.3Confident15 Ų1564.5 Ų64.58%0.07933%0.328CS..Hα-helixtrans-70.6-41.7179.3-167.566.7000111Y732 E733 V736 I755 D759 R764 K765 I766Y732-L762 VanDerWaalsContact CB-CD2 3.5Å; Y732-L762 HydrophobicContact CG-CD2 4.48Å; E733-L762 HydrophobicContact CB-CD1 4.22Å; V736-L762 HydrophobicContact CB-CD1 4.05Å; V736-L762 HydrophobicContact CG1-CD1 4.49Å; V736-L762 HydrophobicContact CG2-CD1 3.67Å; V736-L762 HydrophobicContact CG2-CG 4.09Å; I755-L762 HydrophobicContact CD1-CD2 3.33Å; I755-L762 HydrophobicContact CD1-CG 3.83Å; I755-L762 HydrophobicContact CG1-CD2 3.79Å; I755-L762 HydrophobicContact CG2-CD2 4.16Å; D759-L762 HydrophobicContact CB-CB 4.22Å; D759-L762 PolarHBondContact O-N 2.76Å; L762-R764 VanDerWaalsContact C-N 3.29Å; L762-R764 PolarHBondContact O-N 2.81Å; L762-K765 PolarHBondContact O-N 2.89Å; L762-I766 VanDerWaalsContact O-CG1 3.31Å; L762-I766 WeakPolarHBondContact O-CG1 3.45Å; L762-I766 PolarHBondContact O-N 2.8Å
763L84.4Confident82.4Confident2 Ų266 Ų661%0.0134%0.335CS..Hα-helixtrans-60.6-38.7171.9-72.6172.5000111.4A752 I755 D759 I766 A767 V782 K785 L786A752-L763 HydrophobicContact CB-CD2 4.09Å; I755-L763 HydrophobicContact CG2-CD2 4.44Å; I755-L763 HydrophobicContact CG2-CG 4.3Å; D759-L763 WeakPolarHBondContact O-CG 3.48Å; D759-L763 PolarHBondContact O-N 3.23Å; D759-L763 VanDerWaalsContact O-N 3.1Å; L763-I766 PolarHBondContact O-N 2.98Å; L763-A767 WeakPolarHBondContact O-CB 3.1Å; L763-A767 PolarHBondContact O-N 3.49Å; L763-V782 HydrophobicContact CB-CG1 4.18Å; L763-V782 HydrophobicContact CD2-CG1 4.31Å; L763-V782 VanDerWaalsContact O-CG1 3.22Å; L763-V782 WeakPolarHBondContact O-CG1 3.22Å; L763-K785 HydrophobicContact CD1-CD 4.28Å; L763-K785 HydrophobicContact CD2-CD 4.48Å; L763-L786 HydrophobicContact CB-CD1 4.27Å; L763-L786 HydrophobicContact CB-CD2 3.8Å; L763-L786 HydrophobicContact CB-CG 4.19Å; L763-L786 HydrophobicContact CD1-CD2 4.35Å
764R85.7Confident82.3Confident105 Ų10566.6 Ų66.640%0.39634%0.337SS..Hα-helixtrans-64-44.7174.8-166.4-173.7-59.4114.72.4112V760 D761 L762 I766 A767 Q768 L786V760-R764 WeakPolarHBondContact O-CB 3.46Å; V760-R764 PolarHBondContact O-N 3.32Å; D761-R764 WeakPolarHBondContact O-CB 3.36Å; D761-R764 PolarHBondContact O-N 3.19Å; D761-R764 IonicContact OD1-CZ 3.98Å; D761-R764 IonicContact OD1-NH1 2.77Å; D761-R764 PolarHBondContact OD1-NH1 3.28Å; D761-R764 IonicContact OD1-NH2 3.32Å; L762-R764 VanDerWaalsContact C-N 3.29Å; L762-R764 PolarHBondContact O-N 2.81Å; R764-I766 VanDerWaalsContact C-N 3.28Å; R764-I766 PolarHBondContact O-N 2.85Å; R764-A767 PolarHBondContact O-N 3.48Å; R764-Q768 WeakPolarHBondContact O-CB 3.24Å; R764-Q768 PolarHBondContact O-N 2.9Å; R764-L786 HydrophobicContact CB-CD1 4.26Å
765K86.1Confident82.4Confident74 Ų7465 Ų6532%0.32233%0.329SS..Hα-helixtrans-57.6-42.1174.2-75.7-176.5175.2-1730111.5E733 V736 E737 D761 L762 Q768 A769E733-K765 IonicContact OE1-NZ 2.64Å; E733-K765 PolarHBondContact OE1-NZ 3.33Å; V736-K765 HydrophobicContact CG1-CB 4.33Å; E737-K765 IonicContact OE1-NZ 2.79Å; D761-K765 PolarHBondContact O-N 3.02Å; L762-K765 PolarHBondContact O-N 2.89Å; K765-Q768 PolarHBondContact O-N 3.22Å; K765-A769 PolarHBondContact O-N 3.16Å
766I86Confident82.6Confident0 Ų067.4 Ų67.40%034%0.339CS..Hα-helixtrans-66.7-44.6177-63.5166.1000111.2V736 L748 A752 I755 L762 L763 R764 Q768 A769 L770V736-I766 HydrophobicContact CG1-CG1 3.85Å; V736-I766 HydrophobicContact CG2-CD1 3.83Å; V736-I766 HydrophobicContact CG2-CG1 3.76Å; L748-I766 HydrophobicContact CB-CG2 4.25Å; L748-I766 HydrophobicContact CD2-CG1 4.01Å; L748-I766 HydrophobicContact CD2-CG2 4.17Å; A752-I766 HydrophobicContact CB-CD1 3.93Å; A752-I766 HydrophobicContact CB-CG2 4.1Å; I755-I766 HydrophobicContact CD1-CD1 3.44Å; I755-I766 VanDerWaalsContact CD1-CD1 3.44Å; L762-I766 VanDerWaalsContact O-CG1 3.31Å; L762-I766 WeakPolarHBondContact O-CG1 3.45Å; L762-I766 PolarHBondContact O-N 2.8Å; L763-I766 PolarHBondContact O-N 2.98Å; R764-I766 VanDerWaalsContact C-N 3.28Å; R764-I766 PolarHBondContact O-N 2.85Å; I766-Q768 VanDerWaalsContact C-N 3.3Å; I766-Q768 PolarHBondContact O-N 2.86Å; I766-A769 PolarHBondContact O-N 2.88Å; I766-L770 HydrophobicContact CG2-CD1 4Å; I766-L770 HydrophobicContact CG2-CG 4.4Å; I766-L770 WeakPolarHBondContact O-CG 3.4Å; I766-L770 PolarHBondContact O-N 2.5Å
767A84.8Confident82.9Confident0 Ų067 Ų670%033%0.332CS..Hα-helixtrans-59.8-41.8177.700000112L763 R764 L770 R771 V782 Y783L763-A767 WeakPolarHBondContact O-CB 3.1Å; L763-A767 PolarHBondContact O-N 3.49Å; R764-A767 PolarHBondContact O-N 3.48Å; A767-L770 PolarHBondContact O-N 2.84Å; A767-R771 WeakPolarHBondContact O-CB 3.2Å; A767-R771 PolarHBondContact O-N 2.82Å; A767-V782 HydrophobicContact CB-CB 3.83Å; A767-V782 HydrophobicContact CB-CG1 3.71Å; A767-Y783 HydrophobicContact CB-CD1 3.99Å; A767-Y783 HydrophobicContact CB-CD2 4.11Å; A767-Y783 HydrophobicContact CB-CE1 3.63Å; A767-Y783 HydrophobicContact CB-CE2 3.79Å; A767-Y783 HydrophobicContact CB-CG 4.2Å
768Q86.4Confident83.6Confident107 Ų10761.9 Ų61.950%0.531%0.31SS..Hα-helixtrans-66.3-41.9177.3-172.6171.23.900112.2R764 K765 I766 L770 R771 D772R764-Q768 WeakPolarHBondContact O-CB 3.24Å; R764-Q768 PolarHBondContact O-N 2.9Å; K765-Q768 PolarHBondContact O-N 3.22Å; I766-Q768 VanDerWaalsContact C-N 3.3Å; I766-Q768 PolarHBondContact O-N 2.86Å; Q768-L770 VanDerWaalsContact C-N 3.34Å; Q768-L770 PolarHBondContact O-N 3.33Å; Q768-R771 WeakPolarHBondContact O-CA 3.42Å; Q768-R771 VanDerWaalsContact O-CB 3.3Å; Q768-R771 WeakPolarHBondContact O-CB 3.45Å; Q768-R771 PolarHBondContact O-N 3.18Å; Q768-R771 VanDerWaalsContact O-N 3.14Å; Q768-D772 PolarHBondContact O-N 3.21Å
769A84.9Confident84.3Confident10 Ų1058.7 Ų58.78%0.08328%0.277CS..Hα-helixtrans-65.1-38.2175.900000112.9T740 K765 I766 R771 D772 D773T740-A769 HydrophobicContact CG2-CB 3.17Å; K765-A769 PolarHBondContact O-N 3.16Å; I766-A769 PolarHBondContact O-N 2.88Å; A769-R771 VanDerWaalsContact C-N 3.28Å; A769-R771 PolarHBondContact O-N 3.43Å; A769-D772 PolarHBondContact O-N 3.07Å; A769-D773 PolarHBondContact O-N 2.79Å
770L86.2Confident84.5Confident0 Ų055 Ų550%026%0.257CS..Hα-helixtrans-64.9-33.9173-69.2170.4000111.9T745 I766 A767 Q768 R774 E775 L778 A779 V782T745-L770 HydrophobicContact CG2-CD2 4.3Å; I766-L770 HydrophobicContact CG2-CD1 4Å; I766-L770 HydrophobicContact CG2-CG 4.4Å; I766-L770 WeakPolarHBondContact O-CG 3.4Å; I766-L770 PolarHBondContact O-N 2.5Å; A767-L770 PolarHBondContact O-N 2.84Å; Q768-L770 VanDerWaalsContact C-N 3.34Å; Q768-L770 PolarHBondContact O-N 3.33Å; L770-R774 PolarHBondContact O-N 2.97Å; L770-E775 PolarHBondContact O-N 2.87Å; L770-L778 HydrophobicContact CD1-CB 4.06Å; L770-L778 HydrophobicContact CD2-CB 4.28Å; L770-L778 HydrophobicContact CD2-CD1 4.43Å; L770-A779 HydrophobicContact CB-CB 3.82Å; L770-V782 HydrophobicContact CD1-CG2 3.89Å
771R84.5Confident84.7Confident62 Ų6255.3 Ų55.323%0.23426%0.256CS..Hα-helixtrans-64.6-43.7172.2171.2-173176.1152.15111.3A767 Q768 A769 D773 R774 A779 E791 E794 M795A767-R771 WeakPolarHBondContact O-CB 3.2Å; A767-R771 PolarHBondContact O-N 2.82Å; Q768-R771 WeakPolarHBondContact O-CA 3.42Å; Q768-R771 VanDerWaalsContact O-CB 3.3Å; Q768-R771 WeakPolarHBondContact O-CB 3.45Å; Q768-R771 PolarHBondContact O-N 3.18Å; Q768-R771 VanDerWaalsContact O-N 3.14Å; A769-R771 VanDerWaalsContact C-N 3.28Å; A769-R771 PolarHBondContact O-N 3.43Å; R771-D773 VanDerWaalsContact C-N 3.34Å; R771-R774 PolarHBondContact O-N 2.83Å; R771-R774 VanDerWaalsContact O-N 3.08Å; R771-A779 HydrophobicContact CB-CB 4.39Å; R771-E791 IonicContact CZ-OE2 3.84Å; R771-E791 IonicContact NH1-OE1 2.74Å; R771-E791 IonicContact NH1-OE2 3.52Å; R771-E791 PolarHBondContact NH1-OE2 2.98Å; R771-E794 IonicContact CZ-OE1 3.23Å; R771-E794 IonicContact CZ-OE2 3.83Å; R771-E794 VanDerWaalsContact NH1-CD 3.33Å; R771-E794 IonicContact NH1-OE1 3.15Å; R771-E794 IonicContact NH1-OE2 2.62Å; R771-E794 PolarHBondContact NH1-OE2 2.96Å; R771-E794 IonicContact NH2-OE1 3.5Å; R771-E794 PolarHBondContact NH2-OE1 3.41Å; R771-E794 IonicContact NH2-OE2 3.54Å; R771-E794 PolarHBondContact NH2-OE2 3.2Å; R771-M795 HydrophobicContact CB-CE 4.41Å; R771-M795 HydrophobicContact CB-SD 3.81Å; R771-M795 HydrophobicContact CG-CE 3.71Å; R771-M795 HydrophobicContact CG-SD 3.68Å
772D85.5Confident84.9Confident113 Ų11350.5 Ų50.560%0.60423%0.231SC*.Hα-helixtrans-63.9-39177.9-68.9-22.2000111.8Q768 A769 R774Q768-D772 PolarHBondContact O-N 3.21Å; A769-D772 PolarHBondContact O-N 3.07Å; D772-R774 PolarHBondContact O-N 2.8Å; D772-R774 VanDerWaalsContact O-N 3.14Å
773D84.1Confident85.1Confident38 Ų3850.1 Ų50.120%0.20323%0.229CC..THydrogen-bonded Turntrans-72.40.6174.6-75.3-4.8000113.5H743 T745 A769 R771 E775H743-D773 IonicContact CD2-OD1 2.79Å; H743-D773 PolarHBondContact CD2-OD1 2.81Å; H743-D773 IonicContact CG-OD1 3.26Å; H743-D773 IonicContact NE2-OD1 3.45Å; T745-D773 HydrophobicContact CG2-CB 4.1Å; T745-D773 WeakPolarHBondContact CG2-OD2 3.33Å; A769-D773 PolarHBondContact O-N 2.79Å; R771-D773 VanDerWaalsContact C-N 3.34Å; D773-E775 PolarHBondContact O-N 2.76Å
774R81Confident85Confident192 Ų19257.5 Ų57.573%0.72526%0.256SS*.THydrogen-bonded Turntrans6318.6-177-50.5-177.8177-161.9-2.4114.6L770 R771 D772 Y776L770-R774 PolarHBondContact O-N 2.97Å; R771-R774 PolarHBondContact O-N 2.83Å; R771-R774 VanDerWaalsContact O-N 3.08Å; D772-R774 PolarHBondContact O-N 2.8Å; D772-R774 VanDerWaalsContact O-N 3.14Å; R774-Y776 HydrophobicContact CB-CE1 4.44Å; R774-Y776 HydrophobicContact CB-CE2 4.04Å; R774-Y776 WeakPolarHBondContact O-CD2 3.35Å; R774-Y776 PolarHBondContact O-N 2.81Å; R774-Y776 VanDerWaalsContact O-N 3.08Å
775E84.7Confident84.8Confident89 Ų8956.1 Ų56.142%0.41625%0.253SS..  trans-86.463.3173.8-69.4-66.1171.400110.1T745 L770 D773 D777 L778 A779T745-E775 HydrophobicContact CG2-CG 4.29Å; L770-E775 PolarHBondContact O-N 2.87Å; D773-E775 PolarHBondContact O-N 2.76Å; E775-D777 VanDerWaalsContact C-N 3.28Å; E775-D777 PolarHBondContact O-N 3.21Å; E775-L778 HydrophobicContact CB-CB 4.28Å; E775-L778 HydrophobicContact CB-CD1 4.1Å; E775-L778 HydrophobicContact CB-CG 4.42Å; E775-L778 HydrophobicContact CG-CD1 4.37Å; E775-L778 PolarHBondContact O-N 3.24Å; E775-L778 VanDerWaalsContact O-N 3.15Å; E775-A779 PolarHBondContact O-N 2.74Å
776Y84.5Confident84.6Confident54 Ų5454.2 Ų54.221%0.21225%0.246CC..Hα-helixtrans-62-31.2-170.3-52.4-60.3000113.9R774 A780 M795 L798R774-Y776 HydrophobicContact CB-CE1 4.44Å; R774-Y776 HydrophobicContact CB-CE2 4.04Å; R774-Y776 WeakPolarHBondContact O-CD2 3.35Å; R774-Y776 PolarHBondContact O-N 2.81Å; R774-Y776 VanDerWaalsContact O-N 3.08Å; Y776-A780 WeakPolarHBondContact O-CB 3.14Å; Y776-A780 PolarHBondContact O-N 2.85Å; Y776-M795 HydrophobicContact CD1-SD 4.01Å; Y776-L798 HydrophobicContact CD1-CB 3.98Å; Y776-L798 HydrophobicContact CD1-CD1 4.09Å; Y776-L798 HydrophobicContact CD2-CB 4.28Å; Y776-L798 HydrophobicContact CE1-CB 3.88Å; Y776-L798 HydrophobicContact CE1-CD1 3.71Å; Y776-L798 HydrophobicContact CE1-CG 4.38Å; Y776-L798 HydrophobicContact CE2-CB 4.17Å; Y776-L798 HydrophobicContact CG-CB 4.18Å
777D83.7Confident84.2Confident71 Ų7162.5 Ų62.538%0.3829%0.285SS..Hα-helixtrans-70.5-39.9177.6-78.2-39.7000111.3E775 A780 D781 K796 R801E775-D777 VanDerWaalsContact C-N 3.28Å; E775-D777 PolarHBondContact O-N 3.21Å; D777-A780 PolarHBondContact O-N 2.86Å; D777-D781 PolarHBondContact O-N 3.17Å; D777-D781 VanDerWaalsContact O-N 3.1Å; D777-K796 IonicContact OD1-NZ 3.16Å; D777-R801 IonicContact OD1-CZ 3.78Å; D777-R801 IonicContact OD1-NH2 3.65Å; D777-R801 PolarHBondContact OD1-NH2 3.16Å; D777-R801 IonicContact OD2-NH2 4Å; D777-R801 PolarHBondContact OD2-NH2 3.32Å; D777-R801 VanDerWaalsContact OD2-NH2 3.15Å
778L86.9Confident84.2Confident50 Ų5065 Ų6526%0.26230%0.298SS..Hα-helixtrans-69.6-40.2175-62.5179.4000111.2L770 E775 A780 D781 V782L770-L778 HydrophobicContact CD1-CB 4.06Å; L770-L778 HydrophobicContact CD2-CB 4.28Å; L770-L778 HydrophobicContact CD2-CD1 4.43Å; E775-L778 HydrophobicContact CB-CB 4.28Å; E775-L778 HydrophobicContact CB-CD1 4.1Å; E775-L778 HydrophobicContact CB-CG 4.42Å; E775-L778 HydrophobicContact CG-CD1 4.37Å; E775-L778 PolarHBondContact O-N 3.24Å; E775-L778 VanDerWaalsContact O-N 3.15Å; L778-A780 VanDerWaalsContact C-N 3.29Å; L778-A780 PolarHBondContact O-N 3.44Å; L778-D781 WeakPolarHBondContact O-CB 3.34Å; L778-D781 PolarHBondContact O-N 3.03Å; L778-V782 PolarHBondContact O-N 3.12Å
779A85.7Confident83.8Confident0 Ų061.9 Ų61.90%029%0.286CS..Hα-helixtrans-61.1-40.7173.100000111.2L770 R771 E775 D781 V782 Y783 M795L770-A779 HydrophobicContact CB-CB 3.82Å; R771-A779 HydrophobicContact CB-CB 4.39Å; E775-A779 PolarHBondContact O-N 2.74Å; A779-D781 VanDerWaalsContact C-N 3.31Å; A779-D781 PolarHBondContact O-N 3.4Å; A779-V782 PolarHBondContact O-N 3.26Å; A779-V782 VanDerWaalsContact O-N 3.16Å; A779-Y783 HydrophobicContact CB-CE2 4.47Å; A779-Y783 VanDerWaalsContact O-CD2 3.27Å; A779-Y783 WeakPolarHBondContact O-CD2 3.42Å; A779-Y783 PolarHBondContact O-N 2.83Å; A779-M795 HydrophobicContact CB-CG 4.24Å; A779-M795 HydrophobicContact CB-SD 4.07Å
780A83.2Confident83.7Confident1 Ų165.3 Ų65.31%0.00830%0.304CS..Hα-helixtrans-63.1-34.2176.200000112.4Y776 D777 L778 V782 Y783 R784 F792 M795Y776-A780 WeakPolarHBondContact O-CB 3.14Å; Y776-A780 PolarHBondContact O-N 2.85Å; D777-A780 PolarHBondContact O-N 2.86Å; L778-A780 VanDerWaalsContact C-N 3.29Å; L778-A780 PolarHBondContact O-N 3.44Å; A780-V782 VanDerWaalsContact C-N 3.33Å; A780-Y783 PolarHBondContact O-N 3.19Å; A780-R784 WeakPolarHBondContact O-CB 3.4Å; A780-R784 PolarHBondContact O-N 2.96Å; A780-F792 HydrophobicContact CB-CD2 4.01Å; A780-F792 HydrophobicContact CB-CE2 3.95Å; A780-M795 HydrophobicContact CB-CB 4.3Å
781D85.3Confident83.6Confident72 Ų7267.6 Ų67.639%0.38531%0.314SS..Hα-helixtrans-63-40.5173.3-72.3-5.6000112D777 L778 A779 R784 K785D777-D781 PolarHBondContact O-N 3.17Å; D777-D781 VanDerWaalsContact O-N 3.1Å; L778-D781 WeakPolarHBondContact O-CB 3.34Å; L778-D781 PolarHBondContact O-N 3.03Å; A779-D781 VanDerWaalsContact C-N 3.31Å; A779-D781 PolarHBondContact O-N 3.4Å; D781-R784 IonicContact OD1-CZ 3.59Å; D781-R784 IonicContact OD1-NH2 2.57Å; D781-R784 PolarHBondContact OD1-NH2 2.79Å; D781-K785 PolarHBondContact O-N 2.72Å; D781-K785 VanDerWaalsContact O-N 3.08Å
782V86.9Confident83.6Confident5 Ų566.4 Ų66.43%0.0331%0.311CS..Hα-helixtrans-72.3-42.6177.5-172.10000110.9I749 L763 A767 L770 L778 A779 A780 R784 K785 L786I749-V782 HydrophobicContact CD1-CG2 4.2Å; L763-V782 HydrophobicContact CB-CG1 4.18Å; L763-V782 HydrophobicContact CD2-CG1 4.31Å; L763-V782 VanDerWaalsContact O-CG1 3.22Å; L763-V782 WeakPolarHBondContact O-CG1 3.22Å; A767-V782 HydrophobicContact CB-CB 3.83Å; A767-V782 HydrophobicContact CB-CG1 3.71Å; L770-V782 HydrophobicContact CD1-CG2 3.89Å; L778-V782 PolarHBondContact O-N 3.12Å; A779-V782 PolarHBondContact O-N 3.26Å; A779-V782 VanDerWaalsContact O-N 3.16Å; A780-V782 VanDerWaalsContact C-N 3.33Å; V782-R784 VanDerWaalsContact C-N 3.26Å; V782-R784 PolarHBondContact O-N 2.88Å; V782-K785 WeakPolarHBondContact O-CB 3.45Å; V782-K785 PolarHBondContact O-N 3.47Å; V782-K785 VanDerWaalsContact O-N 3.1Å; V782-L786 HydrophobicContact CG1-CD1 4.26Å; V782-L786 WeakPolarHBondContact O-CG 3.29Å; V782-L786 PolarHBondContact O-N 2.89Å
783Y86Confident83.4Confident8 Ų861.5 Ų61.53%0.03128%0.284CS..Hα-helixtrans-65.3-30.2175-75.7-53.6000113.3A767 A779 A780 L786 E787 N788 E791 M795A767-Y783 HydrophobicContact CB-CD1 3.99Å; A767-Y783 HydrophobicContact CB-CD2 4.11Å; A767-Y783 HydrophobicContact CB-CE1 3.63Å; A767-Y783 HydrophobicContact CB-CE2 3.79Å; A767-Y783 HydrophobicContact CB-CG 4.2Å; A779-Y783 HydrophobicContact CB-CE2 4.47Å; A779-Y783 VanDerWaalsContact O-CD2 3.27Å; A779-Y783 WeakPolarHBondContact O-CD2 3.42Å; A779-Y783 PolarHBondContact O-N 2.83Å; A780-Y783 PolarHBondContact O-N 3.19Å; Y783-L786 HydrophobicContact CD1-CD1 3.99Å; Y783-L786 HydrophobicContact CE1-CD1 4.39Å; Y783-L786 CarbonylContact O-C 3.5Å; Y783-L786 PolarHBondContact O-N 2.87Å; Y783-E787 PolarHBondContact O-N 3.29Å; Y783-E787 VanDerWaalsContact O-N 3.13Å; Y783-N788 HydrophobicContact CD1-CB 4.22Å; Y783-N788 PolarHBondContact O-N 3.28Å; Y783-N788 VanDerWaalsContact O-N 3.09Å; Y783-E791 HydrophobicContact CD1-CB 3.72Å; Y783-E791 HydrophobicContact CD1-CG 4.31Å; Y783-E791 HydrophobicContact CD2-CB 3.9Å; Y783-E791 HydrophobicContact CE1-CB 3.7Å; Y783-E791 HydrophobicContact CE1-CG 3.87Å; Y783-E791 HydrophobicContact CE2-CB 3.85Å; Y783-E791 HydrophobicContact CG-CB 3.84Å; Y783-M795 HydrophobicContact CD2-CG 3.75Å; Y783-M795 HydrophobicContact CE2-CG 3.92Å; Y783-M795 HydrophobicContact CE2-SD 4.22Å
784R82.8Confident83.4Confident157 Ų15762.7 Ų62.759%0.59229%0.289SS*.Hα-helixtrans-66.6-41.6170.7-164.7-162-35-169.95111.6A780 D781 V782 L786 E787A780-R784 WeakPolarHBondContact O-CB 3.4Å; A780-R784 PolarHBondContact O-N 2.96Å; D781-R784 IonicContact OD1-CZ 3.59Å; D781-R784 IonicContact OD1-NH2 2.57Å; D781-R784 PolarHBondContact OD1-NH2 2.79Å; V782-R784 VanDerWaalsContact C-N 3.26Å; V782-R784 PolarHBondContact O-N 2.88Å; R784-L786 PolarHBondContact O-N 3.21Å; R784-E787 PolarHBondContact O-N 3.45Å
785K81.7Confident83.7Confident76 Ų7653.6 Ų53.633%0.3325%0.254SS..Hα-helixtrans-63.9-27.4173.2-169.9177.2175.1-174.70111.9A752 I755 L763 D781 V782A752-K785 PolarHBondContact O-NZ 3.02Å; A752-K785 VanDerWaalsContact O-NZ 3.08Å; I755-K785 PolarHBondContact O-NZ 3.07Å; L763-K785 HydrophobicContact CD1-CD 4.28Å; L763-K785 HydrophobicContact CD2-CD 4.48Å; D781-K785 PolarHBondContact O-N 2.72Å; D781-K785 VanDerWaalsContact O-N 3.08Å; V782-K785 WeakPolarHBondContact O-CB 3.45Å; V782-K785 PolarHBondContact O-N 3.47Å; V782-K785 VanDerWaalsContact O-N 3.1Å
786L82.6Confident83.7Confident33 Ų3350 Ų5017%0.17324%0.238CC..THydrogen-bonded Turntrans-87.2-2.9176.5-70.4168.1000114.5V760 L763 R764 V782 Y783 R784 N788V760-L786 HydrophobicContact CB-CD2 4.29Å; V760-L786 HydrophobicContact CG1-CD2 3.68Å; L763-L786 HydrophobicContact CB-CD1 4.27Å; L763-L786 HydrophobicContact CB-CD2 3.8Å; L763-L786 HydrophobicContact CB-CG 4.19Å; L763-L786 HydrophobicContact CD1-CD2 4.35Å; R764-L786 HydrophobicContact CB-CD1 4.26Å; V782-L786 HydrophobicContact CG1-CD1 4.26Å; V782-L786 WeakPolarHBondContact O-CG 3.29Å; V782-L786 PolarHBondContact O-N 2.89Å; Y783-L786 HydrophobicContact CD1-CD1 3.99Å; Y783-L786 HydrophobicContact CE1-CD1 4.39Å; Y783-L786 CarbonylContact O-C 3.5Å; Y783-L786 PolarHBondContact O-N 2.87Å; R784-L786 PolarHBondContact O-N 3.21Å; L786-N788 HydrophobicContact CB-CB 4.44Å; L786-N788 PolarHBondContact O-N 2.98Å; L786-N788 VanDerWaalsContact O-N 3.09Å
787E77.8Confident83.6Confident175 Ų17549.4 Ų49.482%0.81824%0.237SC*.THydrogen-bonded Turntrans53.224.2-172.4-57.8-173.6160.500114.3Y783 R784 V789Y783-E787 PolarHBondContact O-N 3.29Å; Y783-E787 VanDerWaalsContact O-N 3.13Å; R784-E787 PolarHBondContact O-N 3.45Å; E787-V789 PolarHBondContact O-N 3.04Å
788N83.1Confident83.6Confident51 Ų5149.6 Ų49.627%0.27324%0.238SC..  trans-88.994.7-179-173-10.9000111.2Y783 L786 N790 E791 F792Y783-N788 HydrophobicContact CD1-CB 4.22Å; Y783-N788 PolarHBondContact O-N 3.28Å; Y783-N788 VanDerWaalsContact O-N 3.09Å; L786-N788 HydrophobicContact CB-CB 4.44Å; L786-N788 PolarHBondContact O-N 2.98Å; L786-N788 VanDerWaalsContact O-N 3.09Å; N788-N790 PolarHBondContact O-N 3.21Å; N788-N790 PolarHBondContact OD1-N 2.95Å; N788-E791 VanDerWaalsContact ND2-CG 3.33Å; N788-E791 WeakPolarHBondContact ND2-CG 3.35Å; N788-E791 PolarHBondContact OD1-N 3.25Å; N788-F792 VanDerWaalsContact O-CB 3.25Å; N788-F792 WeakPolarHBondContact O-CB 3.48Å; N788-F792 PolarHBondContact O-N 3.28Å; N788-F792 VanDerWaalsContact O-N 3.14Å
789V79.5Confident83.4Confident42 Ų4248.7 Ų48.726%0.25524%0.236SC..Hα-helixtrans-65.7-36.2-175.6-173.10000112.7E787 F792 I793 V808E787-V789 PolarHBondContact O-N 3.04Å; V789-F792 WeakPolarHBondContact O-CB 3.41Å; V789-F792 PolarHBondContact O-N 3.43Å; V789-I793 HydrophobicContact CG1-CD1 4.02Å; V789-I793 HydrophobicContact CG1-CG1 4.4Å; V789-I793 VanDerWaalsContact O-CG1 3.31Å; V789-I793 WeakPolarHBondContact O-CG1 3.5Å; V789-I793 PolarHBondContact O-N 2.89Å; V789-V808 HydrophobicContact CG1-CG1 3.58Å
790N82Confident83.1Confident83 Ų8351.2 Ų51.244%0.44426%0.257SS..Hα-helixtrans-66.8-52.9-174.6-61.812.2000111.2N788 F792 I793 E794 F815N788-N790 PolarHBondContact O-N 3.21Å; N788-N790 PolarHBondContact OD1-N 2.95Å; N790-F792 VanDerWaalsContact C-N 3.27Å; N790-F792 PolarHBondContact O-N 3.45Å; N790-I793 PolarHBondContact O-N 3.49Å; N790-E794 PolarHBondContact O-N 2.85Å; N790-F815 WeakPolarHBondContact OD1-CE1 3.39Å; N790-F815 VanDerWaalsContact OD1-CE2 3.29Å; N790-F815 WeakPolarHBondContact OD1-CE2 3.45Å; N790-F815 WeakPolarHBondContact OD1-CZ 3.14Å
791E84Confident83.1Confident48 Ų4856 Ų5622%0.22428%0.275CS..Hα-helixtrans-65.7-34.8177.4-69.9-66.114800110.8R771 Y783 N788 E794 M795R771-E791 IonicContact CZ-OE2 3.84Å; R771-E791 IonicContact NH1-OE1 2.74Å; R771-E791 IonicContact NH1-OE2 3.52Å; R771-E791 PolarHBondContact NH1-OE2 2.98Å; Y783-E791 HydrophobicContact CD1-CB 3.72Å; Y783-E791 HydrophobicContact CD1-CG 4.31Å; Y783-E791 HydrophobicContact CD2-CB 3.9Å; Y783-E791 HydrophobicContact CE1-CB 3.7Å; Y783-E791 HydrophobicContact CE1-CG 3.87Å; Y783-E791 HydrophobicContact CE2-CB 3.85Å; Y783-E791 HydrophobicContact CG-CB 3.84Å; N788-E791 VanDerWaalsContact ND2-CG 3.33Å; N788-E791 WeakPolarHBondContact ND2-CG 3.35Å; N788-E791 PolarHBondContact OD1-N 3.25Å; E791-E794 PolarHBondContact O-N 2.88Å; E791-M795 WeakPolarHBondContact O-CB 3.25Å; E791-M795 VanDerWaalsContact O-CG 3.26Å; E791-M795 WeakPolarHBondContact O-CG 3.34Å; E791-M795 PolarHBondContact O-N 3.24Å
792F84.7Confident82.9Confident37 Ų3753.7 Ų53.716%0.16226%0.261CS..Hα-helixtrans-60.3-46.6173.4-178.9-94.2000112.1A780 N788 V789 N790 E794 M795 K796 V808A780-F792 HydrophobicContact CB-CD2 4.01Å; A780-F792 HydrophobicContact CB-CE2 3.95Å; N788-F792 VanDerWaalsContact O-CB 3.25Å; N788-F792 WeakPolarHBondContact O-CB 3.48Å; N788-F792 PolarHBondContact O-N 3.28Å; N788-F792 VanDerWaalsContact O-N 3.14Å; V789-F792 WeakPolarHBondContact O-CB 3.41Å; V789-F792 PolarHBondContact O-N 3.43Å; N790-F792 VanDerWaalsContact C-N 3.27Å; N790-F792 PolarHBondContact O-N 3.45Å; F792-E794 VanDerWaalsContact C-N 3.32Å; F792-E794 PolarHBondContact O-N 3.46Å; F792-M795 PolarHBondContact O-N 3.35Å; F792-K796 HydrophobicContact CD1-CG 4.47Å; F792-K796 HydrophobicContact CE1-CG 4.11Å; F792-K796 HydrophobicContact CZ-CG 4.28Å; F792-K796 WeakPolarHBondContact O-CG 3.38Å; F792-K796 PolarHBondContact O-N 3.17Å; F792-V808 HydrophobicContact CD1-CG2 4.38Å; F792-V808 HydrophobicContact CE1-CG2 4Å
793I82Confident82.7Confident9 Ų962 Ų625%0.04630%0.299CS..Hα-helixtrans-60.3-45174.1-68.9168.3000110V789 N790 M795 K796 I797 A805 V808 F815V789-I793 HydrophobicContact CG1-CD1 4.02Å; V789-I793 HydrophobicContact CG1-CG1 4.4Å; V789-I793 VanDerWaalsContact O-CG1 3.31Å; V789-I793 WeakPolarHBondContact O-CG1 3.5Å; V789-I793 PolarHBondContact O-N 2.89Å; N790-I793 PolarHBondContact O-N 3.49Å; I793-M795 PolarHBondContact O-N 3.22Å; I793-K796 CarbonylContact O-C 3.57Å; I793-K796 PolarHBondContact O-N 3.05Å; I793-K796 VanDerWaalsContact O-N 3.11Å; I793-I797 HydrophobicContact CG2-CD1 3.84Å; I793-I797 HydrophobicContact CG2-CG1 4.27Å; I793-I797 WeakPolarHBondContact O-CG1 3.31Å; I793-I797 PolarHBondContact O-N 3.34Å; I793-A805 HydrophobicContact CG2-CB 4.37Å; I793-V808 HydrophobicContact CD1-CB 4.38Å; I793-V808 HydrophobicContact CD1-CG1 3.8Å; I793-V808 HydrophobicContact CG1-CB 4.05Å; I793-V808 HydrophobicContact CG1-CG1 3.68Å; I793-F815 HydrophobicContact CD1-CB 4.41Å; I793-F815 HydrophobicContact CD1-CD2 3.96Å; I793-F815 HydrophobicContact CD1-CG 4.29Å
794E83.8Confident82.5Confident63 Ų6365.1 Ų65.129%0.29431%0.314SS..Hα-helixtrans-61.1-42.8179.2-164.4178.8-177.500111.9R771 N790 E791 F792 K796 I797 L798R771-E794 IonicContact CZ-OE1 3.23Å; R771-E794 IonicContact CZ-OE2 3.83Å; R771-E794 VanDerWaalsContact NH1-CD 3.33Å; R771-E794 IonicContact NH1-OE1 3.15Å; R771-E794 IonicContact NH1-OE2 2.62Å; R771-E794 PolarHBondContact NH1-OE2 2.96Å; R771-E794 IonicContact NH2-OE1 3.5Å; R771-E794 PolarHBondContact NH2-OE1 3.41Å; R771-E794 IonicContact NH2-OE2 3.54Å; R771-E794 PolarHBondContact NH2-OE2 3.2Å; N790-E794 PolarHBondContact O-N 2.85Å; E791-E794 PolarHBondContact O-N 2.88Å; F792-E794 VanDerWaalsContact C-N 3.32Å; F792-E794 PolarHBondContact O-N 3.46Å; E794-K796 PolarHBondContact O-N 3.01Å; E794-I797 WeakPolarHBondContact O-CB 3.28Å; E794-I797 PolarHBondContact O-N 3.37Å; E794-L798 WeakPolarHBondContact O-CG 3.39Å; E794-L798 PolarHBondContact O-N 2.95Å
795M86.8Confident82.5Confident1 Ų157.6 Ų57.61%0.00529%0.285CS..Hα-helixtrans-62.4-36.3176.3-69.1-47.492.200110.9R771 Y776 A779 A780 Y783 E791 F792 I793 L798 S799R771-M795 HydrophobicContact CB-CE 4.41Å; R771-M795 HydrophobicContact CB-SD 3.81Å; R771-M795 HydrophobicContact CG-CE 3.71Å; R771-M795 HydrophobicContact CG-SD 3.68Å; Y776-M795 HydrophobicContact CD1-SD 4.01Å; A779-M795 HydrophobicContact CB-CG 4.24Å; A779-M795 HydrophobicContact CB-SD 4.07Å; A780-M795 HydrophobicContact CB-CB 4.3Å; Y783-M795 HydrophobicContact CD2-CG 3.75Å; Y783-M795 HydrophobicContact CE2-CG 3.92Å; Y783-M795 HydrophobicContact CE2-SD 4.22Å; E791-M795 WeakPolarHBondContact O-CB 3.25Å; E791-M795 VanDerWaalsContact O-CG 3.26Å; E791-M795 WeakPolarHBondContact O-CG 3.34Å; E791-M795 PolarHBondContact O-N 3.24Å; F792-M795 PolarHBondContact O-N 3.35Å; I793-M795 PolarHBondContact O-N 3.22Å; M795-L798 HydrophobicContact CE-CD1 3.75Å; M795-L798 PolarHBondContact O-N 3.1Å; M795-L798 HydrophobicContact SD-CD1 4.49Å; M795-S799 WeakPolarHBondContact O-CB 3.5Å; M795-S799 PolarHBondContact O-N 3.41Å; M795-S799 PolarHBondContact O-OG 2.94Å
796K84Confident82.5Confident15 Ų1556.3 Ų56.37%0.06528%0.28CS..Hα-helixtrans-70.5-38.3175.3-66.5-63.3178.2172.30113.1D777 F792 I793 E794 S799 A800 R801 E804 A805D777-K796 IonicContact OD1-NZ 3.16Å; F792-K796 HydrophobicContact CD1-CG 4.47Å; F792-K796 HydrophobicContact CE1-CG 4.11Å; F792-K796 HydrophobicContact CZ-CG 4.28Å; F792-K796 WeakPolarHBondContact O-CG 3.38Å; F792-K796 PolarHBondContact O-N 3.17Å; I793-K796 CarbonylContact O-C 3.57Å; I793-K796 PolarHBondContact O-N 3.05Å; I793-K796 VanDerWaalsContact O-N 3.11Å; E794-K796 PolarHBondContact O-N 3.01Å; K796-S799 WeakPolarHBondContact CA-OG 3.43Å; K796-S799 CarbonylContact O-C 3.52Å; K796-S799 PolarHBondContact O-N 3.19Å; K796-S799 PolarHBondContact O-OG 3.26Å; K796-A800 PolarHBondContact O-N 3.49Å; K796-R801 HydrophobicContact CD-CB 4.49Å; K796-R801 PolarHBondContact O-N 2.92Å; K796-E804 VanDerWaalsContact CD-OE2 3.29Å; K796-E804 WeakPolarHBondContact CD-OE2 3.22Å; K796-E804 WeakPolarHBondContact CE-OE2 3.33Å; K796-E804 IonicContact NZ-OE2 2.73Å; K796-E804 PolarHBondContact NZ-OE2 2.74Å; K796-A805 HydrophobicContact CB-CB 4.34Å
797I83.6Confident82.5Confident40 Ų4060.6 Ų60.621%0.20530%0.299CS..Hα-helixtrans-59.7-47.8171.7-67.5167.5000110.1I793 E794 S799 A800 W802 A805 L819I793-I797 HydrophobicContact CG2-CD1 3.84Å; I793-I797 HydrophobicContact CG2-CG1 4.27Å; I793-I797 WeakPolarHBondContact O-CG1 3.31Å; I793-I797 PolarHBondContact O-N 3.34Å; E794-I797 WeakPolarHBondContact O-CB 3.28Å; E794-I797 PolarHBondContact O-N 3.37Å; I797-S799 VanDerWaalsContact C-N 3.31Å; I797-S799 PolarHBondContact O-N 3.27Å; I797-A800 WeakPolarHBondContact O-CA 3.44Å; I797-A800 PolarHBondContact O-N 3.29Å; I797-W802 HydrophobicContact CG1-CZ3 4.33Å; I797-W802 HydrophobicContact CG2-CH2 3.85Å; I797-W802 HydrophobicContact CG2-CZ2 4.26Å; I797-W802 HydrophobicContact CG2-CZ3 4.26Å; I797-A805 HydrophobicContact CG1-CB 4.26Å; I797-L819 HydrophobicContact CD1-CD1 3.66Å; I797-L819 HydrophobicContact CG1-CD1 3.9Å
798L82.8Confident82.7Confident75 Ų7553.4 Ų53.439%0.39327%0.267SS..Hα-helixtrans-64.3-34.5178.5-68.9173.9000112.6Y776 E794 M795 A800Y776-L798 HydrophobicContact CD1-CB 3.98Å; Y776-L798 HydrophobicContact CD1-CD1 4.09Å; Y776-L798 HydrophobicContact CD2-CB 4.28Å; Y776-L798 HydrophobicContact CE1-CB 3.88Å; Y776-L798 HydrophobicContact CE1-CD1 3.71Å; Y776-L798 HydrophobicContact CE1-CG 4.38Å; Y776-L798 HydrophobicContact CE2-CB 4.17Å; Y776-L798 HydrophobicContact CG-CB 4.18Å; E794-L798 WeakPolarHBondContact O-CG 3.39Å; E794-L798 PolarHBondContact O-N 2.95Å; M795-L798 HydrophobicContact CE-CD1 3.75Å; M795-L798 PolarHBondContact O-N 3.1Å; M795-L798 HydrophobicContact SD-CD1 4.49Å; L798-A800 PolarHBondContact O-N 2.72Å
799S83.8Confident82.5Confident31 Ų3151.2 Ų51.222%0.21726%0.255CS..THydrogen-bonded Turntrans-74.11.1170.677.10000114.3M795 K796 I797 R801M795-S799 WeakPolarHBondContact O-CB 3.5Å; M795-S799 PolarHBondContact O-N 3.41Å; M795-S799 PolarHBondContact O-OG 2.94Å; K796-S799 WeakPolarHBondContact CA-OG 3.43Å; K796-S799 CarbonylContact O-C 3.52Å; K796-S799 PolarHBondContact O-N 3.19Å; K796-S799 PolarHBondContact O-OG 3.26Å; I797-S799 VanDerWaalsContact C-N 3.31Å; I797-S799 PolarHBondContact O-N 3.27Å; S799-R801 PolarHBondContact O-N 2.69Å; S799-R801 WeakPolarHBondContact OG-CG 3.19Å
800A78.3Confident82.4Confident53 Ų5357.8 Ų57.844%0.43828%0.281SS..THydrogen-bonded Turntrans57.723.5-175.100000115.2K796 I797 L798 W802K796-A800 PolarHBondContact O-N 3.49Å; I797-A800 WeakPolarHBondContact O-CA 3.44Å; I797-A800 PolarHBondContact O-N 3.29Å; L798-A800 PolarHBondContact O-N 2.72Å; A800-W802 VanDerWaalsContact C-N 3.34Å; A800-W802 PolarHBondContact O-N 2.8Å
801R84.2Confident82.3Confident102 Ų10259.9 Ų59.939%0.38529%0.288SS..  trans-90.766.5176-64.2-165.9-162.8-172.99.1111.4D777 K796 S799 E803 E804 A805D777-R801 IonicContact OD1-CZ 3.78Å; D777-R801 IonicContact OD1-NH2 3.65Å; D777-R801 PolarHBondContact OD1-NH2 3.16Å; D777-R801 IonicContact OD2-NH2 4Å; D777-R801 PolarHBondContact OD2-NH2 3.32Å; D777-R801 VanDerWaalsContact OD2-NH2 3.15Å; K796-R801 HydrophobicContact CD-CB 4.49Å; K796-R801 PolarHBondContact O-N 2.92Å; S799-R801 PolarHBondContact O-N 2.69Å; S799-R801 WeakPolarHBondContact OG-CG 3.19Å; R801-E803 VanDerWaalsContact C-N 3.27Å; R801-E803 PolarHBondContact O-N 2.86Å; R801-E804 HydrophobicContact CB-CB 4.41Å; R801-E804 VanDerWaalsContact CD-OE1 3.28Å; R801-E804 WeakPolarHBondContact CD-OE1 3.48Å; R801-E804 IonicContact CZ-OE1 2.76Å; R801-E804 IonicContact NH1-OE1 2.72Å; R801-E804 PolarHBondContact NH1-OE1 3.16Å; R801-E804 IonicContact NH1-OE2 3.54Å; R801-E804 PolarHBondContact O-N 2.83Å; R801-A805 PolarHBondContact O-N 2.88Å; R801-A805 VanDerWaalsContact O-N 3.13Å
802W81.4Confident82.1Confident24 Ų2460.1 Ų60.19%0.09129%0.289CS..Hα-helixtrans-58.4-34.5-177.8-62.795.6000113.5I797 A800 E804 A805 F806 L819 R822 Y823 W826I797-W802 HydrophobicContact CG1-CZ3 4.33Å; I797-W802 HydrophobicContact CG2-CH2 3.85Å; I797-W802 HydrophobicContact CG2-CZ2 4.26Å; I797-W802 HydrophobicContact CG2-CZ3 4.26Å; A800-W802 VanDerWaalsContact C-N 3.34Å; A800-W802 PolarHBondContact O-N 2.8Å; W802-E804 PolarHBondContact O-N 3.42Å; W802-A805 PolarHBondContact O-N 2.82Å; W802-F806 HydrophobicContact CB-CD2 4.24Å; W802-F806 HydrophobicContact CB-CE2 4.29Å; W802-F806 HydrophobicContact CE3-CE2 4.28Å; W802-F806 WeakPolarHBondContact O-CB 3.08Å; W802-F806 WeakPolarHBondContact O-CD2 3.23Å; W802-F806 PolarHBondContact O-N 2.9Å; W802-L819 HydrophobicContact CE3-CD1 4.11Å; W802-L819 HydrophobicContact CZ3-CD1 3.94Å; W802-R822 HydrophobicContact CH2-CB 4.04Å; W802-R822 HydrophobicContact CZ3-CB 4.37Å; W802-Y823 AromaticContact CD2-CD2 3.92Å; W802-Y823 HydrophobicContact CD2-CD2 3.92Å; W802-Y823 AromaticContact CE3-CD2 3.75Å; W802-Y823 HydrophobicContact CE3-CD2 3.75Å; W802-Y823 HydrophobicContact CE3-CG 4.42Å; W802-Y823 HydrophobicContact CG-CD2 4.42Å; W802-Y823 HydrophobicContact CZ3-CD2 4.1Å; W802-Y823 HydrophobicContact CZ3-CG 4.44Å; W802-W826 AromaticContact CD1-CE2 3.9Å; W802-W826 AromaticContact CD1-CZ2 3.81Å; W802-W826 AromaticContact CE2-CD2 3.88Å; W802-W826 AromaticContact CE2-CG 3.8Å; W802-W826 HydrophobicContact CH2-CB 4.11Å; W802-W826 HydrophobicContact CH2-CG 4.48Å; W802-W826 HydrophobicContact CZ2-CB 3.55Å; W802-W826 AromaticContact CZ2-CD1 3.77Å; W802-W826 HydrophobicContact CZ2-CD2 4.07Å; W802-W826 AromaticContact CZ2-CG 3.5Å; W802-W826 HydrophobicContact CZ2-CG 3.5Å; W802-W826 AromaticContact NE1-CD1 3.69Å; W802-W826 AromaticContact NE1-CD2 3.53Å; W802-W826 AromaticContact NE1-CE2 3.25Å; W802-W826 AromaticContact NE1-CG 3.75Å; W802-W826 AromaticContact NE1-CZ2 3.65Å; W802-W826 AromaticContact NE1-NE1 3.37Å
803E81.3Confident81.6Confident179 Ų17962.4 Ų62.484%0.83631%0.308SS*.Hα-helixtrans-62.7-43179.5-65.5-174172.100112.4R801 H807R801-E803 VanDerWaalsContact C-N 3.27Å; R801-E803 PolarHBondContact O-N 2.86Å; E803-H807 WeakPolarHBondContact O-CB 3.24Å; E803-H807 PolarHBondContact O-N 2.96Å
804E82.7Confident81.3Confident73 Ų7367.3 Ų67.334%0.34133%0.33SS..Hα-helixtrans-66.8-43.3174.5-67.7179.5-153.200110.2K796 R801 W802 F806 H807 V808K796-E804 VanDerWaalsContact CD-OE2 3.29Å; K796-E804 WeakPolarHBondContact CD-OE2 3.22Å; K796-E804 WeakPolarHBondContact CE-OE2 3.33Å; K796-E804 IonicContact NZ-OE2 2.73Å; K796-E804 PolarHBondContact NZ-OE2 2.74Å; R801-E804 HydrophobicContact CB-CB 4.41Å; R801-E804 VanDerWaalsContact CD-OE1 3.28Å; R801-E804 WeakPolarHBondContact CD-OE1 3.48Å; R801-E804 IonicContact CZ-OE1 2.76Å; R801-E804 IonicContact NH1-OE1 2.72Å; R801-E804 PolarHBondContact NH1-OE1 3.16Å; R801-E804 IonicContact NH1-OE2 3.54Å; R801-E804 PolarHBondContact O-N 2.83Å; W802-E804 PolarHBondContact O-N 3.42Å; E804-F806 PolarHBondContact O-N 2.82Å; E804-H807 WeakPolarHBondContact O-CB 3.19Å; E804-H807 PolarHBondContact O-N 3.26Å; E804-H807 VanDerWaalsContact O-N 3.15Å; E804-V808 WeakPolarHBondContact O-CG2 3.24Å; E804-V808 PolarHBondContact O-N 2.8Å
805A82.6Confident81Confident0 Ų066.3 Ų66.30%033%0.325CS..Hα-helixtrans-61-42.6177.800000112.4I793 K796 I797 R801 W802 V808 A809 L819I793-A805 HydrophobicContact CG2-CB 4.37Å; K796-A805 HydrophobicContact CB-CB 4.34Å; I797-A805 HydrophobicContact CG1-CB 4.26Å; R801-A805 PolarHBondContact O-N 2.88Å; R801-A805 VanDerWaalsContact O-N 3.13Å; W802-A805 PolarHBondContact O-N 2.82Å; A805-V808 PolarHBondContact O-N 2.82Å; A805-A809 VanDerWaalsContact O-CB 3.29Å; A805-A809 WeakPolarHBondContact O-CB 3.24Å; A805-A809 PolarHBondContact O-N 2.98Å; A805-L819 HydrophobicContact CB-CD1 4.21Å
806F82.2Confident80.6Confident49 Ų4970.2 Ų70.222%0.21534%0.343CS..Hα-helixtrans-70.1-32.3174.3-81.3-66.9000112.5W802 E804 V808 A809 K810 L819 Y820 Y823W802-F806 HydrophobicContact CB-CD2 4.24Å; W802-F806 HydrophobicContact CB-CE2 4.29Å; W802-F806 HydrophobicContact CE3-CE2 4.28Å; W802-F806 WeakPolarHBondContact O-CB 3.08Å; W802-F806 WeakPolarHBondContact O-CD2 3.23Å; W802-F806 PolarHBondContact O-N 2.9Å; E804-F806 PolarHBondContact O-N 2.82Å; F806-V808 VanDerWaalsContact C-N 3.34Å; F806-A809 PolarHBondContact O-N 3.19Å; F806-K810 WeakPolarHBondContact O-CB 3.38Å; F806-K810 WeakPolarHBondContact O-CG 2.95Å; F806-K810 PolarHBondContact O-N 3.26Å; F806-L819 HydrophobicContact CD1-CD2 3.3Å; F806-L819 HydrophobicContact CD1-CG 4.23Å; F806-L819 HydrophobicContact CD2-CD2 4.44Å; F806-L819 HydrophobicContact CE1-CD2 3.37Å; F806-L819 HydrophobicContact CE1-CG 3.8Å; F806-L819 HydrophobicContact CE2-CD2 4.48Å; F806-L819 HydrophobicContact CG-CD2 3.87Å; F806-L819 HydrophobicContact CZ-CD2 3.98Å; F806-L819 HydrophobicContact CZ-CG 4.01Å; F806-Y820 HydrophobicContact CE1-CE1 4.24Å; F806-Y823 AromaticContact CE2-CD2 3.97Å; F806-Y823 HydrophobicContact CE2-CD2 3.97Å; F806-Y823 HydrophobicContact CE2-CE2 4.19Å; F806-Y823 HydrophobicContact CE2-CG 4.18Å; F806-Y823 HydrophobicContact CZ-CD1 4.15Å; F806-Y823 HydrophobicContact CZ-CD2 4.23Å; F806-Y823 AromaticContact CZ-CG 3.96Å; F806-Y823 HydrophobicContact CZ-CG 3.96Å
807H82.4Confident80.2Confident123 Ų12372.7 Ų72.757%0.56936%0.363SS*.Hα-helixtrans-65.1-40174.8-168.5-69.4000111.4E803 E804E803-H807 WeakPolarHBondContact O-CB 3.24Å; E803-H807 PolarHBondContact O-N 2.96Å; E804-H807 WeakPolarHBondContact O-CB 3.19Å; E804-H807 PolarHBondContact O-N 3.26Å; E804-H807 VanDerWaalsContact O-N 3.15Å
808V82.4Confident80.1Confident24 Ų2476 Ų7615%0.14538%0.377CS..Hα-helixtrans-72.7-41.9174.6-177.30000111V789 F792 I793 E804 A805 F806 K810 Q811 H812V789-V808 HydrophobicContact CG1-CG1 3.58Å; F792-V808 HydrophobicContact CD1-CG2 4.38Å; F792-V808 HydrophobicContact CE1-CG2 4Å; I793-V808 HydrophobicContact CD1-CB 4.38Å; I793-V808 HydrophobicContact CD1-CG1 3.8Å; I793-V808 HydrophobicContact CG1-CB 4.05Å; I793-V808 HydrophobicContact CG1-CG1 3.68Å; E804-V808 WeakPolarHBondContact O-CG2 3.24Å; E804-V808 PolarHBondContact O-N 2.8Å; A805-V808 PolarHBondContact O-N 2.82Å; F806-V808 VanDerWaalsContact C-N 3.34Å; V808-K810 VanDerWaalsContact C-N 3.26Å; V808-K810 PolarHBondContact O-N 3.45Å; V808-Q811 WeakPolarHBondContact O-CA 3.3Å; V808-Q811 WeakPolarHBondContact O-CB 3.35Å; V808-Q811 PolarHBondContact O-N 2.68Å; V808-H812 PolarHBondContact O-N 3.21Å
809A78.5Confident80.3Confident4 Ų472.7 Ų72.73%0.03336%0.36CS..Hα-helixtrans-65.4-25.8177.100000113.4A805 F806 Q811 H812 L819A805-A809 VanDerWaalsContact O-CB 3.29Å; A805-A809 WeakPolarHBondContact O-CB 3.24Å; A805-A809 PolarHBondContact O-N 2.98Å; F806-A809 PolarHBondContact O-N 3.19Å; A809-Q811 PolarHBondContact O-N 3.16Å; A809-H812 CarbonylContact O-C 3.53Å; A809-H812 PolarHBondContact O-N 3.12Å; A809-H812 VanDerWaalsContact O-N 3.07Å; A809-L819 HydrophobicContact CB-CD2 3.53Å
810K76.4Confident80.4Confident180 Ų18072.7 Ų72.778%0.78336%0.355SS*.THydrogen-bonded Turntrans-64.4-26.5169-82.8177.6-177.9176.60113.2F806 V808F806-K810 WeakPolarHBondContact O-CB 3.38Å; F806-K810 WeakPolarHBondContact O-CG 2.95Å; F806-K810 PolarHBondContact O-N 3.26Å; V808-K810 VanDerWaalsContact C-N 3.26Å; V808-K810 PolarHBondContact O-N 3.45Å
811Q81Confident80.7Confident127 Ų12772 Ų7259%0.59334%0.344SS*.THydrogen-bonded Turntrans-82.5-20.3173.5-59.5177.7-5.400111.4V808 A809V808-Q811 WeakPolarHBondContact O-CA 3.3Å; V808-Q811 WeakPolarHBondContact O-CB 3.35Å; V808-Q811 PolarHBondContact O-N 2.68Å; A809-Q811 PolarHBondContact O-N 3.16Å
812H79.7Confident80.8Confident53 Ų5373.1 Ų73.125%0.24535%0.348CS..  trans-134.780-173.4-69.1-78.7000112V808 A809 E814 F815V808-H812 PolarHBondContact O-N 3.21Å; A809-H812 CarbonylContact O-C 3.53Å; A809-H812 PolarHBondContact O-N 3.12Å; A809-H812 VanDerWaalsContact O-N 3.07Å; H812-E814 VanDerWaalsContact C-OE2 3.29Å; H812-E814 WeakPolarHBondContact CB-OE1 3.32Å; H812-E814 IonicContact CG-OE1 3.64Å; H812-E814 IonicContact ND1-OE1 3.6Å; H812-E814 PolarHBondContact ND1-OE1 3.04Å; H812-E814 PolarHBondContact O-N 2.74Å; H812-E814 VanDerWaalsContact O-N 3.15Å; H812-F815 HydrophobicContact CB-CD2 3.7Å; H812-F815 HydrophobicContact CB-CE2 4.01Å; H812-F815 PolarHBondContact O-N 3.02Å
813P73Confident81Confident86 Ų8674.4 Ų74.456%0.55835%0.353SS*.G310 helixtrans-64-18.2-173.923.8-32000114.5F815 E816P813-F815 PolarHBondContact O-N 2.97Å; P813-E816 WeakPolarHBondContact O-CB 3.29Å; P813-E816 PolarHBondContact O-N 2.99Å; P813-E816 VanDerWaalsContact O-N 3.12Å
814E77.4Confident81.2Confident111 Ų11165.9 Ų65.952%0.51931%0.313SS..G310 helixtrans-55.4-31.8173.855.4-87.9-160.700113.3H812H812-E814 VanDerWaalsContact C-OE2 3.29Å; H812-E814 WeakPolarHBondContact CB-OE1 3.32Å; H812-E814 IonicContact CG-OE1 3.64Å; H812-E814 IonicContact ND1-OE1 3.6Å; H812-E814 PolarHBondContact ND1-OE1 3.04Å; H812-E814 PolarHBondContact O-N 2.74Å; H812-E814 VanDerWaalsContact O-N 3.15Å
815F77.1Confident81.3Confident43 Ų4365.2 Ų65.219%0.18931%0.312CS..G310 helixtrans-91.7-4.7-179.3-56-63.9000113.8N790 I793 H812 P813 S817 E818 L819N790-F815 WeakPolarHBondContact OD1-CE1 3.39Å; N790-F815 VanDerWaalsContact OD1-CE2 3.29Å; N790-F815 WeakPolarHBondContact OD1-CE2 3.45Å; N790-F815 WeakPolarHBondContact OD1-CZ 3.14Å; I793-F815 HydrophobicContact CD1-CB 4.41Å; I793-F815 HydrophobicContact CD1-CD2 3.96Å; I793-F815 HydrophobicContact CD1-CG 4.29Å; H812-F815 HydrophobicContact CB-CD2 3.7Å; H812-F815 HydrophobicContact CB-CE2 4.01Å; H812-F815 PolarHBondContact O-N 3.02Å; P813-F815 PolarHBondContact O-N 2.97Å; F815-S817 VanDerWaalsContact C-N 3.3Å; F815-S817 PolarHBondContact O-N 3.23Å; F815-E818 PolarHBondContact O-N 2.76Å; F815-L819 VanDerWaalsContact O-CB 3.23Å; F815-L819 WeakPolarHBondContact O-CB 3.5Å; F815-L819 PolarHBondContact O-N 2.95Å
816E77Confident81.4Confident82 Ų8267.3 Ų67.338%0.38332%0.32SS..Hα-helixtrans-63.5-38.2-174.3-169.1178.5-176.100111.5P813 Y820P813-E816 WeakPolarHBondContact O-CB 3.29Å; P813-E816 PolarHBondContact O-N 2.99Å; P813-E816 VanDerWaalsContact O-N 3.12Å; E816-Y820 HydrophobicContact CG-CD2 3.76Å; E816-Y820 HydrophobicContact CG-CE2 3.33Å; E816-Y820 WeakPolarHBondContact O-CD2 3.24Å; E816-Y820 PolarHBondContact O-N 3.45Å; E816-Y820 WeakPolarHBondContact OE1-CE2 3.5Å; E816-Y820 PolarHBondContact OE1-OH 3.35Å
817S77Confident81.7Confident68 Ų6865 Ų6548%0.47631%0.31SS..Hα-helixtrans-64.6-44.9-179.564.30000113.2F815 L821F815-S817 VanDerWaalsContact C-N 3.3Å; F815-S817 PolarHBondContact O-N 3.23Å; S817-L821 PolarHBondContact O-N 3.37Å
818E81.7Confident81.8Confident110 Ų11061.4 Ų61.451%0.51430%0.295SS..Hα-helixtrans-74.2-37.6178.6-172.5169.1-172.700111.6F815 Y820 L821 R822F815-E818 PolarHBondContact O-N 2.76Å; E818-Y820 VanDerWaalsContact C-N 3.32Å; E818-Y820 PolarHBondContact O-N 2.98Å; E818-L821 WeakPolarHBondContact O-CB 3.43Å; E818-L821 PolarHBondContact O-N 2.74Å; E818-L821 VanDerWaalsContact O-N 3.15Å; E818-R822 WeakPolarHBondContact O-CG 3.25Å; E818-R822 PolarHBondContact O-N 2.87Å; E818-R822 VanDerWaalsContact O-N 3.07Å
819L85.2Confident81.8Confident4 Ų468 Ų682%0.02132%0.324CS..Hα-helixtrans-60.1-41.7173.9-174.366.9000111.2I797 W802 A805 F806 A809 F815 R822 Y823I797-L819 HydrophobicContact CD1-CD1 3.66Å; I797-L819 HydrophobicContact CG1-CD1 3.9Å; W802-L819 HydrophobicContact CE3-CD1 4.11Å; W802-L819 HydrophobicContact CZ3-CD1 3.94Å; A805-L819 HydrophobicContact CB-CD1 4.21Å; F806-L819 HydrophobicContact CD1-CD2 3.3Å; F806-L819 HydrophobicContact CD1-CG 4.23Å; F806-L819 HydrophobicContact CD2-CD2 4.44Å; F806-L819 HydrophobicContact CE1-CD2 3.37Å; F806-L819 HydrophobicContact CE1-CG 3.8Å; F806-L819 HydrophobicContact CE2-CD2 4.48Å; F806-L819 HydrophobicContact CG-CD2 3.87Å; F806-L819 HydrophobicContact CZ-CD2 3.98Å; F806-L819 HydrophobicContact CZ-CG 4.01Å; A809-L819 HydrophobicContact CB-CD2 3.53Å; F815-L819 VanDerWaalsContact O-CB 3.23Å; F815-L819 WeakPolarHBondContact O-CB 3.5Å; F815-L819 PolarHBondContact O-N 2.95Å; L819-R822 PolarHBondContact O-N 2.96Å; L819-Y823 WeakPolarHBondContact O-CB 3.44Å; L819-Y823 PolarHBondContact O-N 2.97Å
820Y86.2Confident82.1Confident32 Ų3274.8 Ų74.813%0.12535%0.349CS..Hα-helixtrans-65.4-34.8174.5-81.2-58000113.5F806 E816 E818 A824 K842F806-Y820 HydrophobicContact CE1-CE1 4.24Å; E816-Y820 HydrophobicContact CG-CD2 3.76Å; E816-Y820 HydrophobicContact CG-CE2 3.33Å; E816-Y820 WeakPolarHBondContact O-CD2 3.24Å; E816-Y820 PolarHBondContact O-N 3.45Å; E816-Y820 WeakPolarHBondContact OE1-CE2 3.5Å; E816-Y820 PolarHBondContact OE1-OH 3.35Å; E818-Y820 VanDerWaalsContact C-N 3.32Å; E818-Y820 PolarHBondContact O-N 2.98Å; Y820-A824 VanDerWaalsContact O-CB 3.3Å; Y820-A824 WeakPolarHBondContact O-CB 3.43Å; Y820-A824 PolarHBondContact O-N 2.81Å; Y820-K842 HydrophobicContact CD1-CB 4.24Å; Y820-K842 HydrophobicContact CD1-CD 4Å; Y820-K842 HydrophobicContact CD2-CB 3.71Å; Y820-K842 HydrophobicContact CD2-CD 4.19Å; Y820-K842 HydrophobicContact CE1-CD 3.52Å; Y820-K842 HydrophobicContact CE2-CB 3.97Å; Y820-K842 HydrophobicContact CE2-CD 3.7Å; Y820-K842 HydrophobicContact CE2-CG 4.46Å; Y820-K842 HydrophobicContact CG-CB 3.87Å; Y820-K842 HydrophobicContact CG-CD 4.35Å; Y820-K842 PolarHBondContact OH-NZ 2.82Å; Y820-K842 VanDerWaalsContact OH-NZ 3.09Å
821L85.8Confident82.4Confident38 Ų3872 Ų7220%0.19934%0.342CS..Hα-helixtrans-61.8-52.7175.5-173.591.5000110.3S817 E818 Y823 A824 D825 Y840 A843 R845S817-L821 PolarHBondContact O-N 3.37Å; E818-L821 WeakPolarHBondContact O-CB 3.43Å; E818-L821 PolarHBondContact O-N 2.74Å; E818-L821 VanDerWaalsContact O-N 3.15Å; L821-Y823 VanDerWaalsContact C-N 3.3Å; L821-Y823 PolarHBondContact O-N 2.94Å; L821-A824 WeakPolarHBondContact O-CB 3.34Å; L821-A824 PolarHBondContact O-N 3.45Å; L821-A824 VanDerWaalsContact O-N 3.13Å; L821-D825 PolarHBondContact O-N 3.18Å; L821-D825 VanDerWaalsContact O-N 3.11Å; L821-Y840 HydrophobicContact CD1-CD1 4.27Å; L821-Y840 HydrophobicContact CD1-CE1 4.26Å; L821-A843 HydrophobicContact CB-CB 4.17Å; L821-A843 HydrophobicContact CD1-CB 4.36Å; L821-R845 HydrophobicContact CD1-CG 3.72Å
822R84.9Confident82.6Confident126 Ų12671.2 Ų71.248%0.47533%0.334SS..Hα-helixtrans-64.4-37179.4-61.6-64.9-171157.65.4111.8W802 E818 L819 D825 W826W802-R822 HydrophobicContact CH2-CB 4.04Å; W802-R822 HydrophobicContact CZ3-CB 4.37Å; E818-R822 WeakPolarHBondContact O-CG 3.25Å; E818-R822 PolarHBondContact O-N 2.87Å; E818-R822 VanDerWaalsContact O-N 3.07Å; L819-R822 PolarHBondContact O-N 2.96Å; R822-D825 PolarHBondContact O-N 2.82Å; R822-W826 WeakPolarHBondContact O-CB 3.13Å; R822-W826 PolarHBondContact O-N 3.26Å
823Y86.5Confident82.8Confident50 Ų5071.7 Ų71.720%0.19634%0.335CS..Hα-helixtrans-66.8-36.3174.5-176-113.9000112W802 F806 L819 L821 W826 L827 A839W802-Y823 AromaticContact CD2-CD2 3.92Å; W802-Y823 HydrophobicContact CD2-CD2 3.92Å; W802-Y823 AromaticContact CE3-CD2 3.75Å; W802-Y823 HydrophobicContact CE3-CD2 3.75Å; W802-Y823 HydrophobicContact CE3-CG 4.42Å; W802-Y823 HydrophobicContact CG-CD2 4.42Å; W802-Y823 HydrophobicContact CZ3-CD2 4.1Å; W802-Y823 HydrophobicContact CZ3-CG 4.44Å; F806-Y823 AromaticContact CE2-CD2 3.97Å; F806-Y823 HydrophobicContact CE2-CD2 3.97Å; F806-Y823 HydrophobicContact CE2-CE2 4.19Å; F806-Y823 HydrophobicContact CE2-CG 4.18Å; F806-Y823 HydrophobicContact CZ-CD1 4.15Å; F806-Y823 HydrophobicContact CZ-CD2 4.23Å; F806-Y823 AromaticContact CZ-CG 3.96Å; F806-Y823 HydrophobicContact CZ-CG 3.96Å; L819-Y823 WeakPolarHBondContact O-CB 3.44Å; L819-Y823 PolarHBondContact O-N 2.97Å; L821-Y823 VanDerWaalsContact C-N 3.3Å; L821-Y823 PolarHBondContact O-N 2.94Å; Y823-W826 AromaticContact CD2-CE3 3.9Å; Y823-W826 HydrophobicContact CD2-CE3 3.9Å; Y823-W826 HydrophobicContact CD2-CZ3 4.27Å; Y823-W826 AromaticContact CE2-CE3 3.69Å; Y823-W826 HydrophobicContact CE2-CE3 3.69Å; Y823-W826 AromaticContact CE2-CZ3 3.6Å; Y823-W826 HydrophobicContact CE2-CZ3 3.6Å; Y823-W826 PolarHBondContact O-N 2.94Å; Y823-L827 HydrophobicContact CD1-CD1 3.71Å; Y823-L827 HydrophobicContact CD1-CG 4.35Å; Y823-L827 HydrophobicContact CE1-CD1 3.4Å; Y823-L827 HydrophobicContact CE1-CD2 4.44Å; Y823-L827 HydrophobicContact CE1-CG 4.05Å; Y823-L827 HydrophobicContact CE2-CD2 4.5Å; Y823-L827 HydrophobicContact CE2-CG 4.37Å; Y823-L827 HydrophobicContact CG-CD1 4.42Å; Y823-L827 WeakPolarHBondContact O-CB 3.02Å; Y823-L827 VanDerWaalsContact O-CG 3.24Å; Y823-L827 WeakPolarHBondContact O-CG 3.2Å; Y823-L827 PolarHBondContact O-N 2.91Å; Y823-A839 HydrophobicContact CD1-CB 4.38Å
824A85.1Confident83.2Confident0 Ų072.5 Ų72.50%033%0.332CS..Hα-helixtrans-62.9-46.6174.800000111.3Y820 L821 W826 L827 I828 A839 Y840Y820-A824 VanDerWaalsContact O-CB 3.3Å; Y820-A824 WeakPolarHBondContact O-CB 3.43Å; Y820-A824 PolarHBondContact O-N 2.81Å; L821-A824 WeakPolarHBondContact O-CB 3.34Å; L821-A824 PolarHBondContact O-N 3.45Å; L821-A824 VanDerWaalsContact O-N 3.13Å; A824-W826 VanDerWaalsContact C-N 3.35Å; A824-W826 PolarHBondContact O-N 2.77Å; A824-L827 WeakPolarHBondContact O-CB 3.38Å; A824-L827 PolarHBondContact O-N 3.43Å; A824-I828 WeakPolarHBondContact O-CG1 3.44Å; A824-I828 PolarHBondContact O-N 2.81Å; A824-A839 HydrophobicContact CB-CB 3.56Å; A824-Y840 HydrophobicContact CB-CD1 3.62Å; A824-Y840 HydrophobicContact CB-CD2 4.29Å; A824-Y840 HydrophobicContact CB-CE1 3.6Å; A824-Y840 HydrophobicContact CB-CE2 4.33Å; A824-Y840 HydrophobicContact CB-CG 3.95Å
825D85.7Confident83.7Confident60 Ų6070.6 Ų70.632%0.32132%0.323SS..Hα-helixtrans-60.6-45.4176.6-62.9-24000110.9L821 R822 L827 I828 E829 Y840L821-D825 PolarHBondContact O-N 3.18Å; L821-D825 VanDerWaalsContact O-N 3.11Å; R822-D825 PolarHBondContact O-N 2.82Å; D825-L827 VanDerWaalsContact C-N 3.29Å; D825-L827 PolarHBondContact O-N 2.9Å; D825-I828 WeakPolarHBondContact O-CB 3.32Å; D825-I828 PolarHBondContact O-N 2.85Å; D825-I828 VanDerWaalsContact O-N 3.13Å; D825-E829 PolarHBondContact O-N 3.27Å; D825-E829 VanDerWaalsContact O-N 3.16Å; D825-Y840 PolarHBondContact OD1-OH 2.8Å
826W84.6Confident84.1Confident44 Ų4468.6 Ų68.617%0.16731%0.314CS..Hα-helixtrans-62.1-33.1175.8178.784.9000113.6W802 R822 Y823 A824 R830W802-W826 AromaticContact CD1-CE2 3.9Å; W802-W826 AromaticContact CD1-CZ2 3.81Å; W802-W826 AromaticContact CE2-CD2 3.88Å; W802-W826 AromaticContact CE2-CG 3.8Å; W802-W826 HydrophobicContact CH2-CB 4.11Å; W802-W826 HydrophobicContact CH2-CG 4.48Å; W802-W826 HydrophobicContact CZ2-CB 3.55Å; W802-W826 AromaticContact CZ2-CD1 3.77Å; W802-W826 HydrophobicContact CZ2-CD2 4.07Å; W802-W826 AromaticContact CZ2-CG 3.5Å; W802-W826 HydrophobicContact CZ2-CG 3.5Å; W802-W826 AromaticContact NE1-CD1 3.69Å; W802-W826 AromaticContact NE1-CD2 3.53Å; W802-W826 AromaticContact NE1-CE2 3.25Å; W802-W826 AromaticContact NE1-CG 3.75Å; W802-W826 AromaticContact NE1-CZ2 3.65Å; W802-W826 AromaticContact NE1-NE1 3.37Å; R822-W826 WeakPolarHBondContact O-CB 3.13Å; R822-W826 PolarHBondContact O-N 3.26Å; Y823-W826 AromaticContact CD2-CE3 3.9Å; Y823-W826 HydrophobicContact CD2-CE3 3.9Å; Y823-W826 HydrophobicContact CD2-CZ3 4.27Å; Y823-W826 AromaticContact CE2-CE3 3.69Å; Y823-W826 HydrophobicContact CE2-CE3 3.69Å; Y823-W826 AromaticContact CE2-CZ3 3.6Å; Y823-W826 HydrophobicContact CE2-CZ3 3.6Å; Y823-W826 PolarHBondContact O-N 2.94Å; A824-W826 VanDerWaalsContact C-N 3.35Å; A824-W826 PolarHBondContact O-N 2.77Å; W826-R830 VanDerWaalsContact CZ2-NE 3.32Å
827L88.1Confident84.5Confident0 Ų064.9 Ų64.90%030%0.297CS..Hα-helixtrans-70.6-34.9174.4-75.9169.1000112.2Y823 A824 D825 R830 D831 R832 E835 A836 A839Y823-L827 HydrophobicContact CD1-CD1 3.71Å; Y823-L827 HydrophobicContact CD1-CG 4.35Å; Y823-L827 HydrophobicContact CE1-CD1 3.4Å; Y823-L827 HydrophobicContact CE1-CD2 4.44Å; Y823-L827 HydrophobicContact CE1-CG 4.05Å; Y823-L827 HydrophobicContact CE2-CD2 4.5Å; Y823-L827 HydrophobicContact CE2-CG 4.37Å; Y823-L827 HydrophobicContact CG-CD1 4.42Å; Y823-L827 WeakPolarHBondContact O-CB 3.02Å; Y823-L827 VanDerWaalsContact O-CG 3.24Å; Y823-L827 WeakPolarHBondContact O-CG 3.2Å; Y823-L827 PolarHBondContact O-N 2.91Å; A824-L827 WeakPolarHBondContact O-CB 3.38Å; A824-L827 PolarHBondContact O-N 3.43Å; D825-L827 VanDerWaalsContact C-N 3.29Å; D825-L827 PolarHBondContact O-N 2.9Å; L827-R830 CarbonylContact O-C 3.49Å; L827-R830 PolarHBondContact O-N 3.23Å; L827-D831 PolarHBondContact O-N 2.83Å; L827-R832 HydrophobicContact CB-CB 4.27Å; L827-R832 HydrophobicContact CD2-CB 3.92Å; L827-R832 HydrophobicContact CD2-CG 4.48Å; L827-R832 PolarHBondContact O-N 3.47Å; L827-E835 HydrophobicContact CD1-CB 3.67Å; L827-E835 HydrophobicContact CD2-CB 4.35Å; L827-A836 HydrophobicContact CB-CB 4.04Å; L827-A839 HydrophobicContact CD1-CB 4.37Å
828I85.2Confident84.9Confident48 Ų4867.1 Ų67.125%0.24630%0.298CS..Hα-helixtrans-64.4-44175.8-66.9167000110.5A824 D825 R830 D831 F833 A836 Y840 V852A824-I828 WeakPolarHBondContact O-CG1 3.44Å; A824-I828 PolarHBondContact O-N 2.81Å; D825-I828 WeakPolarHBondContact O-CB 3.32Å; D825-I828 PolarHBondContact O-N 2.85Å; D825-I828 VanDerWaalsContact O-N 3.13Å; I828-R830 PolarHBondContact O-N 2.76Å; I828-D831 PolarHBondContact O-N 2.98Å; I828-F833 HydrophobicContact CG1-CD1 4.49Å; I828-F833 HydrophobicContact CG2-CD1 4.35Å; I828-F833 HydrophobicContact CG2-CE1 3.96Å; I828-A836 HydrophobicContact CD1-CB 4.15Å; I828-A836 HydrophobicContact CG1-CB 3.47Å; I828-A836 VanDerWaalsContact CG1-CB 3.47Å; I828-Y840 HydrophobicContact CD1-CE2 3.58Å; I828-Y840 WeakPolarHBondContact CD1-OH 3.48Å; I828-V852 HydrophobicContact CD1-CG2 4.37Å
829E82.2Confident85.1Confident162 Ų16262.1 Ų62.176%0.75728%0.276SS*.THydrogen-bonded Turntrans-59.5-16.6176.1-68.9-175.4165.700113.7D825D825-E829 PolarHBondContact O-N 3.27Å; D825-E829 VanDerWaalsContact O-N 3.16Å
830R84.9Confident85.3Confident147 Ų14762.5 Ų62.556%0.55528%0.277SS*.THydrogen-bonded Turntrans-110.617.5178.3-64.7-177.3172.6-152.3-1113.2W826 L827 I828 R832W826-R830 VanDerWaalsContact CZ2-NE 3.32Å; L827-R830 CarbonylContact O-C 3.49Å; L827-R830 PolarHBondContact O-N 3.23Å; I828-R830 PolarHBondContact O-N 2.76Å; R830-R832 PolarHBondContact O-N 3.16Å
831D81.5Confident85.1Confident122 Ų12267.5 Ų67.565%0.65230%0.296SS*.THydrogen-bonded Turntrans6022.3179.1-58-40.1000115.1L827 I828 F833L827-D831 PolarHBondContact O-N 2.83Å; I828-D831 PolarHBondContact O-N 2.98Å; D831-F833 VanDerWaalsContact C-N 3.35Å; D831-F833 HydrophobicContact CB-CE2 3.74Å; D831-F833 HydrophobicContact CB-CZ 4.09Å; D831-F833 VanDerWaalsContact O-CD2 3.3Å; D831-F833 WeakPolarHBondContact O-CD2 2.96Å; D831-F833 PolarHBondContact O-N 2.94Å; D831-F833 WeakPolarHBondContact OD1-CZ 3.31Å
832R86.3Confident84.8Confident109 Ų10971.8 Ų71.841%0.41131%0.313SS..  trans-93.960.1177.8-65.7-17977.5-175.511.9111.5L827 R830 E834 E835 A836L827-R832 HydrophobicContact CB-CB 4.27Å; L827-R832 HydrophobicContact CD2-CB 3.92Å; L827-R832 HydrophobicContact CD2-CG 4.48Å; L827-R832 PolarHBondContact O-N 3.47Å; R830-R832 PolarHBondContact O-N 3.16Å; R832-E834 PolarHBondContact O-N 3.01Å; R832-E835 HydrophobicContact CB-CB 4.49Å; R832-E835 IonicContact CZ-OE1 3.93Å; R832-E835 VanDerWaalsContact CZ-OE1 3.28Å; R832-E835 IonicContact CZ-OE2 3.56Å; R832-E835 IonicContact NE-OE1 2.88Å; R832-E835 PolarHBondContact NE-OE1 2.83Å; R832-E835 IonicContact NE-OE2 2.96Å; R832-E835 PolarHBondContact NE-OE2 2.92Å; R832-E835 IonicContact NH1-OE2 3Å; R832-E835 PolarHBondContact NH1-OE2 3.35Å; R832-E835 IonicContact NH2-OE1 3.82Å; R832-E835 PolarHBondContact NH2-OE1 2.72Å; R832-E835 IonicContact NH2-OE2 3.22Å; R832-E835 PolarHBondContact NH2-OE2 3.31Å; R832-E835 PolarHBondContact O-N 3.4Å; R832-A836 PolarHBondContact O-N 2.78Å
833F84.5Confident84.8Confident63 Ų6366.4 Ų66.428%0.27630%0.295SS..Hα-helixtrans-66.6-31.5-168.3-53.4-77.1000115.4I828 D831 A836 S837 V852 L856I828-F833 HydrophobicContact CG1-CD1 4.49Å; I828-F833 HydrophobicContact CG2-CD1 4.35Å; I828-F833 HydrophobicContact CG2-CE1 3.96Å; D831-F833 VanDerWaalsContact C-N 3.35Å; D831-F833 HydrophobicContact CB-CE2 3.74Å; D831-F833 HydrophobicContact CB-CZ 4.09Å; D831-F833 VanDerWaalsContact O-CD2 3.3Å; D831-F833 WeakPolarHBondContact O-CD2 2.96Å; D831-F833 PolarHBondContact O-N 2.94Å; D831-F833 WeakPolarHBondContact OD1-CZ 3.31Å; F833-A836 PolarHBondContact O-N 2.83Å; F833-S837 WeakPolarHBondContact O-CB 3.35Å; F833-S837 PolarHBondContact O-N 2.96Å; F833-V852 HydrophobicContact CB-CG1 4.09Å; F833-V852 HydrophobicContact CD1-CG1 4.42Å; F833-L856 HydrophobicContact CB-CD1 3.66Å; F833-L856 HydrophobicContact CB-CD2 4.29Å; F833-L856 HydrophobicContact CB-CG 4.44Å; F833-L856 HydrophobicContact CD2-CD2 3.9Å; F833-L856 HydrophobicContact CE2-CD2 4.41Å; F833-L856 HydrophobicContact CG-CD1 4.29Å; F833-L856 HydrophobicContact CG-CD2 4.03Å
834E81.2Confident84.4Confident103 Ų10366.8 Ų66.848%0.48132%0.315SS..Hα-helixtrans-66.7-40.6175.6-67.7-164.8164.100112.1R832 S837 K838R832-E834 PolarHBondContact O-N 3.01Å; E834-S837 PolarHBondContact O-N 2.84Å; E834-K838 WeakPolarHBondContact O-CG 3.42Å; E834-K838 PolarHBondContact O-N 3Å
835E86.2Confident84.3Confident72 Ų7272.8 Ų72.834%0.33634%0.337SS..Hα-helixtrans-70.7-36.5176.4-68.3-176.5-159.200110.9L827 R832 K838 A839L827-E835 HydrophobicContact CD1-CB 3.67Å; L827-E835 HydrophobicContact CD2-CB 4.35Å; R832-E835 HydrophobicContact CB-CB 4.49Å; R832-E835 IonicContact CZ-OE1 3.93Å; R832-E835 VanDerWaalsContact CZ-OE1 3.28Å; R832-E835 IonicContact CZ-OE2 3.56Å; R832-E835 IonicContact NE-OE1 2.88Å; R832-E835 PolarHBondContact NE-OE1 2.83Å; R832-E835 IonicContact NE-OE2 2.96Å; R832-E835 PolarHBondContact NE-OE2 2.92Å; R832-E835 IonicContact NH1-OE2 3Å; R832-E835 PolarHBondContact NH1-OE2 3.35Å; R832-E835 IonicContact NH2-OE1 3.82Å; R832-E835 PolarHBondContact NH2-OE1 2.72Å; R832-E835 IonicContact NH2-OE2 3.22Å; R832-E835 PolarHBondContact NH2-OE2 3.31Å; R832-E835 PolarHBondContact O-N 3.4Å; E835-K838 PolarHBondContact O-N 3.45Å; E835-A839 VanDerWaalsContact O-CB 3.27Å; E835-A839 WeakPolarHBondContact O-CB 3.45Å; E835-A839 PolarHBondContact O-N 3.28Å
836A87.2Confident83.9Confident0 Ų076.1 Ų76.10%035%0.351CS..Hα-helixtrans-61.5-44.7172.100000111.8L827 I828 R832 F833 K838 A839 Y840L827-A836 HydrophobicContact CB-CB 4.04Å; I828-A836 HydrophobicContact CD1-CB 4.15Å; I828-A836 HydrophobicContact CG1-CB 3.47Å; I828-A836 VanDerWaalsContact CG1-CB 3.47Å; R832-A836 PolarHBondContact O-N 2.78Å; F833-A836 PolarHBondContact O-N 2.83Å; A836-K838 VanDerWaalsContact C-N 3.33Å; A836-K838 PolarHBondContact O-N 2.7Å; A836-A839 PolarHBondContact O-N 2.69Å; A836-A839 VanDerWaalsContact O-N 3.15Å; A836-Y840 WeakPolarHBondContact O-CD2 3.43Å; A836-Y840 PolarHBondContact O-N 3.36Å
837S85.8Confident83.7Confident5 Ų577.8 Ų77.84%0.03537%0.369CS..Hα-helixtrans-61.5-40.7175.8-175.10000111.8F833 E834 R841 A849F833-S837 WeakPolarHBondContact O-CB 3.35Å; F833-S837 PolarHBondContact O-N 2.96Å; E834-S837 PolarHBondContact O-N 2.84Å; S837-R841 PolarHBondContact O-N 2.86Å; S837-R841 VanDerWaalsContact O-N 3.12Å; S837-A849 PolarHBondContact OG-O 3.49Å
838K84.8Confident83.5Confident114 Ų11481.2 Ų81.250%0.49639%0.385SS..Hα-helixtrans-65.5-39.7173.3-71.7170.2-173.4163.80112E834 E835 A836 R841 K842E834-K838 WeakPolarHBondContact O-CG 3.42Å; E834-K838 PolarHBondContact O-N 3Å; E835-K838 PolarHBondContact O-N 3.45Å; A836-K838 VanDerWaalsContact C-N 3.33Å; A836-K838 PolarHBondContact O-N 2.7Å; K838-R841 WeakPolarHBondContact O-CB 3.31Å; K838-R841 PolarHBondContact O-N 2.84Å; K838-K842 PolarHBondContact O-N 2.73Å
839A86.4Confident83.4Confident5 Ų579 Ų794%0.04137%0.374CS..Hα-helixtrans-67.9-42.4178.300000111.7Y823 A824 L827 E835 A836 R841 K842 A843Y823-A839 HydrophobicContact CD1-CB 4.38Å; A824-A839 HydrophobicContact CB-CB 3.56Å; L827-A839 HydrophobicContact CD1-CB 4.37Å; E835-A839 VanDerWaalsContact O-CB 3.27Å; E835-A839 WeakPolarHBondContact O-CB 3.45Å; E835-A839 PolarHBondContact O-N 3.28Å; A836-A839 PolarHBondContact O-N 2.69Å; A836-A839 VanDerWaalsContact O-N 3.15Å; A839-R841 VanDerWaalsContact C-N 3.26Å; A839-R841 PolarHBondContact O-N 3.48Å; A839-K842 PolarHBondContact O-N 2.91Å; A839-K842 VanDerWaalsContact O-N 3.12Å; A839-A843 PolarHBondContact O-N 2.86Å
840Y88.2Confident83.5Confident13 Ų1371.7 Ų71.75%0.05134%0.34CS..Hα-helixtrans-60.8-35.3172.1-77.6-44.6000113L821 A824 D825 I828 A836 A843 G844 R845 Q848 V852L821-Y840 HydrophobicContact CD1-CD1 4.27Å; L821-Y840 HydrophobicContact CD1-CE1 4.26Å; A824-Y840 HydrophobicContact CB-CD1 3.62Å; A824-Y840 HydrophobicContact CB-CD2 4.29Å; A824-Y840 HydrophobicContact CB-CE1 3.6Å; A824-Y840 HydrophobicContact CB-CE2 4.33Å; A824-Y840 HydrophobicContact CB-CG 3.95Å; D825-Y840 PolarHBondContact OD1-OH 2.8Å; I828-Y840 HydrophobicContact CD1-CE2 3.58Å; I828-Y840 WeakPolarHBondContact CD1-OH 3.48Å; A836-Y840 WeakPolarHBondContact O-CD2 3.43Å; A836-Y840 PolarHBondContact O-N 3.36Å; Y840-A843 CarbonylContact O-C 3.57Å; Y840-A843 PolarHBondContact O-N 3.15Å; Y840-G844 PolarHBondContact O-N 3.29Å; Y840-R845 HydrophobicContact CD1-CB 4.42Å; Y840-R845 PolarHBondContact O-N 2.86Å; Y840-Q848 HydrophobicContact CD1-CB 4.34Å; Y840-Q848 HydrophobicContact CD2-CB 4.11Å; Y840-Q848 HydrophobicContact CE2-CB 4.2Å; Y840-Q848 HydrophobicContact CG-CB 4.18Å; Y840-V852 HydrophobicContact CD2-CG2 4.35Å; Y840-V852 HydrophobicContact CE2-CG2 3.96Å
841R81.9Confident83.6Confident136 Ų13669.9 Ų69.951%0.51334%0.336SS..Hα-helixtrans-65.3-45173.5-168.8-176.7-57.2153.85.1111.7S837 K838 A839 A843 G844S837-R841 PolarHBondContact O-N 2.86Å; S837-R841 VanDerWaalsContact O-N 3.12Å; K838-R841 WeakPolarHBondContact O-CB 3.31Å; K838-R841 PolarHBondContact O-N 2.84Å; A839-R841 VanDerWaalsContact C-N 3.26Å; A839-R841 PolarHBondContact O-N 3.48Å; R841-A843 PolarHBondContact O-N 3.4Å; R841-G844 PolarHBondContact O-N 3.4Å
842K80.7Confident83.8Confident129 Ų12964.9 Ų64.956%0.56131%0.31SS*.Hα-helixtrans-62.6-29174.3-71.5-172.1174.2-172.30112.5Y820 K838 A839 G844Y820-K842 HydrophobicContact CD1-CB 4.24Å; Y820-K842 HydrophobicContact CD1-CD 4Å; Y820-K842 HydrophobicContact CD2-CB 3.71Å; Y820-K842 HydrophobicContact CD2-CD 4.19Å; Y820-K842 HydrophobicContact CE1-CD 3.52Å; Y820-K842 HydrophobicContact CE2-CB 3.97Å; Y820-K842 HydrophobicContact CE2-CD 3.7Å; Y820-K842 HydrophobicContact CE2-CG 4.46Å; Y820-K842 HydrophobicContact CG-CB 3.87Å; Y820-K842 HydrophobicContact CG-CD 4.35Å; Y820-K842 PolarHBondContact OH-NZ 2.82Å; Y820-K842 VanDerWaalsContact OH-NZ 3.09Å; K838-K842 PolarHBondContact O-N 2.73Å; A839-K842 PolarHBondContact O-N 2.91Å; A839-K842 VanDerWaalsContact O-N 3.12Å; K842-G844 VanDerWaalsContact C-N 3.3Å; K842-G844 PolarHBondContact O-N 2.95Å
843A83.9Confident83.8Confident12 Ų1260 Ų6010%0.09929%0.292CS..THydrogen-bonded Turntrans-81.20.3173.100000114.4L821 A839 Y840 R841 R845L821-A843 HydrophobicContact CB-CB 4.17Å; L821-A843 HydrophobicContact CD1-CB 4.36Å; A839-A843 PolarHBondContact O-N 2.86Å; Y840-A843 CarbonylContact O-C 3.57Å; Y840-A843 PolarHBondContact O-N 3.15Å; R841-A843 PolarHBondContact O-N 3.4Å; A843-R845 VanDerWaalsContact C-N 3.29Å; A843-R845 PolarHBondContact O-N 2.75Å
844G77.7Confident84Confident59 Ų5959.3 Ų59.361%0.60829%0.29SS*.THydrogen-bonded Turntrans72.113.3-178.300000115.3Y840 R841 K842 Q846Y840-G844 PolarHBondContact O-N 3.29Å; R841-G844 PolarHBondContact O-N 3.4Å; K842-G844 VanDerWaalsContact C-N 3.3Å; K842-G844 PolarHBondContact O-N 2.95Å; G844-Q846 PolarHBondContact O-N 2.84Å
845R82.9Confident84.4Confident126 Ų12659.2 Ų59.248%0.47529%0.289SS..  trans-96.274.6-179.9-68.6-69-172.4-84-0.7111.6L821 Y840 A843 S847 Q848 A849L821-R845 HydrophobicContact CD1-CG 3.72Å; Y840-R845 HydrophobicContact CD1-CB 4.42Å; Y840-R845 PolarHBondContact O-N 2.86Å; A843-R845 VanDerWaalsContact C-N 3.29Å; A843-R845 PolarHBondContact O-N 2.75Å; R845-S847 PolarHBondContact O-N 3.22Å; R845-Q848 HydrophobicContact CB-CB 4.32Å; R845-Q848 VanDerWaalsContact CB-OE1 3.28Å; R845-Q848 PolarHBondContact O-N 3.36Å; R845-A849 PolarHBondContact O-N 3.48Å
846Q77.5Confident84.5Confident130 Ų13057.5 Ų57.561%0.60728%0.282SS*.Hα-helixtrans-67.4-35.4-173.7-162.8154.76.400113.8G844 A849 I850G844-Q846 PolarHBondContact O-N 2.84Å; Q846-A849 PolarHBondContact O-N 2.91Å; Q846-I850 WeakPolarHBondContact O-CG1 3.28Å; Q846-I850 PolarHBondContact O-N 2.93Å
847S81.2Confident84.6Confident78 Ų7857.5 Ų57.555%0.54528%0.282SS..Hα-helixtrans-63.1-42.5177.151.50000113R845 I850 F851R845-S847 PolarHBondContact O-N 3.22Å; S847-I850 PolarHBondContact O-N 2.78Å; S847-F851 WeakPolarHBondContact O-CB 3.47Å; S847-F851 PolarHBondContact O-N 2.8Å
848Q83.9Confident84.8Confident73 Ų7361.6 Ų61.634%0.34130%0.304SS..Hα-helixtrans-68.2-38.7177.3-69.4177.8-55.800111.2Y840 R845 I850 F851 V852Y840-Q848 HydrophobicContact CD1-CB 4.34Å; Y840-Q848 HydrophobicContact CD2-CB 4.11Å; Y840-Q848 HydrophobicContact CE2-CB 4.2Å; Y840-Q848 HydrophobicContact CG-CB 4.18Å; R845-Q848 HydrophobicContact CB-CB 4.32Å; R845-Q848 VanDerWaalsContact CB-OE1 3.28Å; R845-Q848 PolarHBondContact O-N 3.36Å; Q848-I850 VanDerWaalsContact C-N 3.29Å; Q848-I850 PolarHBondContact O-N 2.83Å; Q848-F851 PolarHBondContact O-N 2.83Å; Q848-V852 WeakPolarHBondContact O-CG2 3.34Å; Q848-V852 PolarHBondContact O-N 2.76Å
849A82.3Confident85.1Confident1 Ų160 Ų601%0.00830%0.301CS..Hα-helixtrans-61.4-36174.300000112.9S837 R845 Q846 L853S837-A849 PolarHBondContact OG-O 3.49Å; R845-A849 PolarHBondContact O-N 3.48Å; Q846-A849 PolarHBondContact O-N 2.91Å; A849-L853 WeakPolarHBondContact O-CG 3.41Å
850I84.9Confident85.3Confident9 Ų959.8 Ų59.85%0.04630%0.299CS..Hα-helixtrans-68.5-52.1172.7-67168.3000110Q846 S847 Q848 V852 L853 E854 L876 Q879 Y880Q846-I850 WeakPolarHBondContact O-CG1 3.28Å; Q846-I850 PolarHBondContact O-N 2.93Å; S847-I850 PolarHBondContact O-N 2.78Å; Q848-I850 VanDerWaalsContact C-N 3.29Å; Q848-I850 PolarHBondContact O-N 2.83Å; I850-V852 VanDerWaalsContact C-N 3.3Å; I850-V852 PolarHBondContact O-N 2.94Å; I850-L853 CarbonylContact O-C 3.03Å; I850-L853 WeakPolarHBondContact O-CA 3.31Å; I850-L853 WeakPolarHBondContact O-CB 3.4Å; I850-L853 PolarHBondContact O-N 3.17Å; I850-E854 HydrophobicContact CG2-CG 3.99Å; I850-E854 WeakPolarHBondContact O-CG 3.39Å; I850-E854 PolarHBondContact O-N 3.17Å; I850-L876 HydrophobicContact CG2-CD2 3.96Å; I850-Q879 HydrophobicContact CD1-CB 4.14Å; I850-Q879 HydrophobicContact CG1-CB 3.96Å; I850-Q879 HydrophobicContact CG1-CG 4.45Å; I850-Y880 HydrophobicContact CG2-CE2 4.31Å
851F86.1Confident85.5Confident108 Ų10861.8 Ų61.847%0.47431%0.313SS..Hα-helixtrans-55.5-43.1-175.8177.1-101.5000112.9S847 Q848 L853 E854 Q855S847-F851 WeakPolarHBondContact O-CB 3.47Å; S847-F851 PolarHBondContact O-N 2.8Å; Q848-F851 PolarHBondContact O-N 2.83Å; F851-L853 VanDerWaalsContact C-N 3.28Å; F851-L853 PolarHBondContact O-N 2.82Å; F851-E854 PolarHBondContact O-N 3Å; F851-Q855 HydrophobicContact CD1-CG 4.48Å; F851-Q855 HydrophobicContact CD2-CG 4.47Å; F851-Q855 HydrophobicContact CE1-CG 3.96Å; F851-Q855 HydrophobicContact CE2-CG 3.96Å; F851-Q855 HydrophobicContact CZ-CG 3.69Å; F851-Q855 PolarHBondContact O-N 2.88Å
852V86.3Confident85.9Confident17 Ų1761.4 Ų61.410%0.10332%0.321CS..Hα-helixtrans-59.5-41.1175.6172.70000111I828 F833 Y840 Q848 I850 L856I828-V852 HydrophobicContact CD1-CG2 4.37Å; F833-V852 HydrophobicContact CB-CG1 4.09Å; F833-V852 HydrophobicContact CD1-CG1 4.42Å; Y840-V852 HydrophobicContact CD2-CG2 4.35Å; Y840-V852 HydrophobicContact CE2-CG2 3.96Å; Q848-V852 WeakPolarHBondContact O-CG2 3.34Å; Q848-V852 PolarHBondContact O-N 2.76Å; I850-V852 VanDerWaalsContact C-N 3.3Å; I850-V852 PolarHBondContact O-N 2.94Å; V852-L856 HydrophobicContact CG1-CD1 4.12Å; V852-L856 WeakPolarHBondContact O-CB 3.17Å; V852-L856 WeakPolarHBondContact O-CG 3.43Å; V852-L856 PolarHBondContact O-N 2.84Å; V852-L856 VanDerWaalsContact O-N 3.11Å
853L86.6Confident86.5Confident7 Ų760.8 Ų60.84%0.03732%0.32CS..Hα-helixtrans-70.4-36177.5-67.9167.5000112.5A849 I850 F851 L856 A857 L872 L875 L876A849-L853 WeakPolarHBondContact O-CG 3.41Å; I850-L853 CarbonylContact O-C 3.03Å; I850-L853 WeakPolarHBondContact O-CA 3.31Å; I850-L853 WeakPolarHBondContact O-CB 3.4Å; I850-L853 PolarHBondContact O-N 3.17Å; F851-L853 VanDerWaalsContact C-N 3.28Å; F851-L853 PolarHBondContact O-N 2.82Å; L853-L856 PolarHBondContact O-N 2.79Å; L853-A857 WeakPolarHBondContact O-CB 3.37Å; L853-A857 PolarHBondContact O-N 2.75Å; L853-L872 HydrophobicContact CD2-CD2 3.89Å; L853-L875 HydrophobicContact CD1-CB 4.37Å; L853-L875 HydrophobicContact CD1-CD2 4.48Å; L853-L876 HydrophobicContact CB-CD1 4.29Å; L853-L876 HydrophobicContact CB-CG 4.19Å
854E89.5Confident86.7Confident49 Ų4965.6 Ų65.623%0.22934%0.344CS..Hα-helixtrans-61.1-51.6174.7-67.9-179.9151.200111.2I850 F851 L856 A857 D858 L876 Y880I850-E854 HydrophobicContact CG2-CG 3.99Å; I850-E854 WeakPolarHBondContact O-CG 3.39Å; I850-E854 PolarHBondContact O-N 3.17Å; F851-E854 PolarHBondContact O-N 3Å; E854-L856 VanDerWaalsContact C-N 3.3Å; E854-L856 PolarHBondContact O-N 3.17Å; E854-A857 WeakPolarHBondContact O-CB 3.49Å; E854-A857 PolarHBondContact O-N 2.84Å; E854-A857 VanDerWaalsContact O-N 3.08Å; E854-D858 PolarHBondContact O-N 2.82Å; E854-L876 HydrophobicContact CG-CD1 4.17Å; E854-L876 HydrophobicContact CG-CD2 3.39Å; E854-L876 HydrophobicContact CG-CG 4.34Å; E854-Y880 VanDerWaalsContact OE1-CE2 3.3Å; E854-Y880 WeakPolarHBondContact OE1-CE2 3.46Å; E854-Y880 VanDerWaalsContact OE1-CZ 3.24Å; E854-Y880 PolarHBondContact OE1-OH 2.86Å
855Q89.3Confident87.4Confident100 Ų10068.1 Ų68.147%0.46734%0.335SS..Hα-helixtrans-62.3-39.5179.2-70.3-146-46.500112.2F851 A857 N859F851-Q855 HydrophobicContact CD1-CG 4.48Å; F851-Q855 HydrophobicContact CD2-CG 4.47Å; F851-Q855 HydrophobicContact CE1-CG 3.96Å; F851-Q855 HydrophobicContact CE2-CG 3.96Å; F851-Q855 HydrophobicContact CZ-CG 3.69Å; F851-Q855 PolarHBondContact O-N 2.88Å; Q855-A857 VanDerWaalsContact C-N 3.33Å; Q855-N859 VanDerWaalsContact O-CB 3.26Å; Q855-N859 WeakPolarHBondContact O-CB 3.4Å; Q855-N859 PolarHBondContact O-N 2.84Å; Q855-N859 PolarHBondContact O-ND2 2.87Å; Q855-N859 PolarHBondContact O-OD1 2.8Å
856L88.4Confident87.6Confident36 Ų3668.1 Ų68.119%0.18834%0.338CS..Hα-helixtrans-63.9-40.4174.4-71.4170.3000111.7F833 V852 L853 E854 A860 L872F833-L856 HydrophobicContact CB-CD1 3.66Å; F833-L856 HydrophobicContact CB-CD2 4.29Å; F833-L856 HydrophobicContact CB-CG 4.44Å; F833-L856 HydrophobicContact CD2-CD2 3.9Å; F833-L856 HydrophobicContact CE2-CD2 4.41Å; F833-L856 HydrophobicContact CG-CD1 4.29Å; F833-L856 HydrophobicContact CG-CD2 4.03Å; V852-L856 HydrophobicContact CG1-CD1 4.12Å; V852-L856 WeakPolarHBondContact O-CB 3.17Å; V852-L856 WeakPolarHBondContact O-CG 3.43Å; V852-L856 PolarHBondContact O-N 2.84Å; V852-L856 VanDerWaalsContact O-N 3.11Å; L853-L856 PolarHBondContact O-N 2.79Å; E854-L856 VanDerWaalsContact C-N 3.3Å; E854-L856 PolarHBondContact O-N 3.17Å; L856-A860 VanDerWaalsContact O-CB 3.24Å; L856-A860 WeakPolarHBondContact O-CB 3.23Å; L856-A860 PolarHBondContact O-N 2.86Å; L856-L872 HydrophobicContact CB-CD1 3.73Å; L856-L872 HydrophobicContact CB-CD2 3.98Å; L856-L872 HydrophobicContact CB-CG 4.48Å; L856-L872 HydrophobicContact CD1-CD2 4.22Å; L856-L872 WeakPolarHBondContact O-CD1 3.38Å
857A88.4Confident88.1Confident0 Ų069 Ų690%035%0.347CS..Hα-helixtrans-64.8-47.2179.400000110.8L853 E854 Q855 A860 V861 L872 F873 L876L853-A857 WeakPolarHBondContact O-CB 3.37Å; L853-A857 PolarHBondContact O-N 2.75Å; E854-A857 WeakPolarHBondContact O-CB 3.49Å; E854-A857 PolarHBondContact O-N 2.84Å; E854-A857 VanDerWaalsContact O-N 3.08Å; Q855-A857 VanDerWaalsContact C-N 3.33Å; A857-A860 PolarHBondContact O-N 2.89Å; A857-V861 WeakPolarHBondContact O-CG2 3.48Å; A857-V861 PolarHBondContact O-N 3.07Å; A857-L872 HydrophobicContact CB-CB 3.82Å; A857-F873 HydrophobicContact CB-CD1 4.35Å; A857-F873 HydrophobicContact CB-CE1 4.07Å; A857-F873 HydrophobicContact CB-CE2 4.35Å; A857-F873 HydrophobicContact CB-CZ 4.06Å; A857-L876 HydrophobicContact CB-CD1 3.8Å
858D90.9Very high88.4Confident91 Ų9168.6 Ų68.649%0.48734%0.339SS..Hα-helixtrans-62.4-46.9177.8-71-18000111.1E854 A860 V861 D862E854-D858 PolarHBondContact O-N 2.82Å; D858-A860 VanDerWaalsContact C-N 3.33Å; D858-A860 PolarHBondContact O-N 2.76Å; D858-V861 WeakPolarHBondContact O-CB 3.45Å; D858-V861 PolarHBondContact O-N 2.89Å; D858-V861 VanDerWaalsContact O-N 3.12Å; D858-D862 PolarHBondContact O-N 3.06Å
859N90.9Very high88.6Confident81 Ų8165.3 Ų65.343%0.43332%0.324SS..Hα-helixtrans-61.8-40.2176.4-70.3-13.1000112Q855 V861 D862 E863Q855-N859 VanDerWaalsContact O-CB 3.26Å; Q855-N859 WeakPolarHBondContact O-CB 3.4Å; Q855-N859 PolarHBondContact O-N 2.84Å; Q855-N859 PolarHBondContact O-ND2 2.87Å; Q855-N859 PolarHBondContact O-OD1 2.8Å; N859-V861 VanDerWaalsContact C-N 3.28Å; N859-V861 PolarHBondContact O-N 3.33Å; N859-D862 PolarHBondContact O-N 2.93Å; N859-E863 WeakPolarHBondContact O-CB 3.32Å; N859-E863 WeakPolarHBondContact O-CG 3.27Å; N859-E863 PolarHBondContact O-N 2.85Å
860A89.9Confident88.8Confident0 Ų068.3 Ų68.30%035%0.349CS..Hα-helixtrans-64.3-34.8176.600000111.8L856 A857 D858 N864 R865 D868 A869 L872L856-A860 VanDerWaalsContact O-CB 3.24Å; L856-A860 WeakPolarHBondContact O-CB 3.23Å; L856-A860 PolarHBondContact O-N 2.86Å; A857-A860 PolarHBondContact O-N 2.89Å; D858-A860 VanDerWaalsContact C-N 3.33Å; D858-A860 PolarHBondContact O-N 2.76Å; A860-N864 PolarHBondContact O-N 2.91Å; A860-R865 HydrophobicContact CB-CB 4.32Å; A860-R865 CarbonylContact O-C 3.53Å; A860-R865 WeakPolarHBondContact O-CA 3.28Å; A860-R865 PolarHBondContact O-N 3.4Å; A860-D868 HydrophobicContact CB-CB 4.15Å; A860-A869 HydrophobicContact CB-CB 3.91Å; A860-L872 HydrophobicContact CB-CD1 4.14Å
861V92.1Very high89Confident56 Ų5673.2 Ų73.234%0.33937%0.368SS..Hα-helixtrans-67.2-49172.6172.70000111A857 D858 N859 E863 N864 A869 F873A857-V861 WeakPolarHBondContact O-CG2 3.48Å; A857-V861 PolarHBondContact O-N 3.07Å; D858-V861 WeakPolarHBondContact O-CB 3.45Å; D858-V861 PolarHBondContact O-N 2.89Å; D858-V861 VanDerWaalsContact O-N 3.12Å; N859-V861 VanDerWaalsContact C-N 3.28Å; N859-V861 PolarHBondContact O-N 3.33Å; V861-E863 VanDerWaalsContact C-N 3.28Å; V861-E863 PolarHBondContact O-N 2.86Å; V861-N864 PolarHBondContact O-N 2.81Å; V861-A869 HydrophobicContact CG2-CB 3.85Å; V861-F873 HydrophobicContact CG2-CE2 3.65Å; V861-F873 HydrophobicContact CG2-CZ 4.14Å
862D91.3Very high89.1Confident128 Ų12868.9 Ų68.968%0.68435%0.35SS*.Hα-helixtrans-61.7-35.8-179.5-76.9-14.6000112.4D858 N859 N864D858-D862 PolarHBondContact O-N 3.06Å; N859-D862 PolarHBondContact O-N 2.93Å; D862-N864 VanDerWaalsContact C-N 3.28Å; D862-N864 PolarHBondContact O-N 3.09Å
863E91.9Very high89.2Confident116 Ų11672.8 Ų72.854%0.54237%0.365SS..THydrogen-bonded Turntrans-81.5-0.7176.4-69.2-179.2167.600114N859 V861 R865N859-E863 WeakPolarHBondContact O-CB 3.32Å; N859-E863 WeakPolarHBondContact O-CG 3.27Å; N859-E863 PolarHBondContact O-N 2.85Å; V861-E863 VanDerWaalsContact C-N 3.28Å; V861-E863 PolarHBondContact O-N 2.86Å; E863-R865 VanDerWaalsContact C-N 3.26Å; E863-R865 HydrophobicContact CB-CG 4.28Å; E863-R865 PolarHBondContact O-N 3.26Å; E863-R865 IonicContact OE2-CZ 2.66Å; E863-R865 IonicContact OE2-NE 3.5Å; E863-R865 PolarHBondContact OE2-NE 2.86Å; E863-R865 IonicContact OE2-NH2 3.94Å; E863-R865 PolarHBondContact OE2-NH2 3.34Å
864N89Confident89.2Confident113 Ų11379.3 Ų79.360%0.60439%0.39SS*.THydrogen-bonded Turntrans60.527.1-173.1-53.3-77.2000114.6A860 V861 D862 F866A860-N864 PolarHBondContact O-N 2.91Å; V861-N864 PolarHBondContact O-N 2.81Å; D862-N864 VanDerWaalsContact C-N 3.28Å; D862-N864 PolarHBondContact O-N 3.09Å; N864-F866 VanDerWaalsContact C-N 3.33Å; N864-F866 HydrophobicContact CB-CE2 3.85Å; N864-F866 HydrophobicContact CB-CZ 3.94Å; N864-F866 WeakPolarHBondContact O-CD2 3.35Å; N864-F866 PolarHBondContact O-N 3.3Å
865R91.1Very high88.9Confident112 Ų11278.7 Ų78.742%0.42339%0.388SS..  trans-85.870.6171.8-67.4-167-73143.4-9.4110.7A860 E863 D867 D868 A869A860-R865 HydrophobicContact CB-CB 4.32Å; A860-R865 CarbonylContact O-C 3.53Å; A860-R865 WeakPolarHBondContact O-CA 3.28Å; A860-R865 PolarHBondContact O-N 3.4Å; E863-R865 VanDerWaalsContact C-N 3.26Å; E863-R865 HydrophobicContact CB-CG 4.28Å; E863-R865 PolarHBondContact O-N 3.26Å; E863-R865 IonicContact OE2-CZ 2.66Å; E863-R865 IonicContact OE2-NE 3.5Å; E863-R865 PolarHBondContact OE2-NE 2.86Å; E863-R865 IonicContact OE2-NH2 3.94Å; E863-R865 PolarHBondContact OE2-NH2 3.34Å; R865-D867 VanDerWaalsContact C-N 3.35Å; R865-D867 PolarHBondContact O-N 3.44Å; R865-D868 HydrophobicContact CB-CB 4.2Å; R865-D868 WeakPolarHBondContact CD-OD2 3.45Å; R865-D868 IonicContact CZ-OD2 3.34Å; R865-D868 IonicContact NE-OD2 2.76Å; R865-D868 IonicContact NH1-OD2 3.27Å; R865-D868 PolarHBondContact NH1-OD2 3.26Å; R865-D868 PolarHBondContact O-N 2.94Å; R865-A869 PolarHBondContact O-N 3.45Å
866F88.1Confident88.6Confident125 Ų12574.4 Ų74.455%0.54837%0.368SS..Hα-helixtrans-66.2-29.7-171.6-59.5-62.6000114.9N864 A869 A870N864-F866 VanDerWaalsContact C-N 3.33Å; N864-F866 HydrophobicContact CB-CE2 3.85Å; N864-F866 HydrophobicContact CB-CZ 3.94Å; N864-F866 WeakPolarHBondContact O-CD2 3.35Å; N864-F866 PolarHBondContact O-N 3.3Å; F866-A869 PolarHBondContact O-N 3.02Å; F866-A870 WeakPolarHBondContact O-CB 3.29Å; F866-A870 PolarHBondContact O-N 2.91Å
867D88.5Confident88.2Confident149 Ų14975.2 Ų75.280%0.79738%0.377SS*.Hα-helixtrans-66.3-43.2175.5-68.2-29.5000111.2R865 A870 Y871R865-D867 VanDerWaalsContact C-N 3.35Å; R865-D867 PolarHBondContact O-N 3.44Å; D867-A870 PolarHBondContact O-N 3.19Å; D867-Y871 PolarHBondContact O-N 3.47Å
868D87.1Confident87.4Confident69 Ų6981.1 Ų81.137%0.36941%0.406SS..Hα-helixtrans-67.3-43.8175.5-66-17.6000110.7A860 R865 A870 Y871 L872A860-D868 HydrophobicContact CB-CB 4.15Å; R865-D868 HydrophobicContact CB-CB 4.2Å; R865-D868 WeakPolarHBondContact CD-OD2 3.45Å; R865-D868 IonicContact CZ-OD2 3.34Å; R865-D868 IonicContact NE-OD2 2.76Å; R865-D868 IonicContact NH1-OD2 3.27Å; R865-D868 PolarHBondContact NH1-OD2 3.26Å; R865-D868 PolarHBondContact O-N 2.94Å; D868-A870 VanDerWaalsContact C-N 3.34Å; D868-A870 PolarHBondContact O-N 3.2Å; D868-Y871 PolarHBondContact O-N 3.08Å; D868-L872 WeakPolarHBondContact O-CB 3.29Å; D868-L872 WeakPolarHBondContact O-CD1 3.27Å; D868-L872 VanDerWaalsContact O-CG 3.25Å; D868-L872 WeakPolarHBondContact O-CG 3.24Å; D868-L872 PolarHBondContact O-N 2.7Å
869A88.2Confident86.4Confident4 Ų478 Ų783%0.03339%0.388CS..Hα-helixtrans-59.4-44177.300000111.5A860 V861 R865 F866 Y871 L872 F873A860-A869 HydrophobicContact CB-CB 3.91Å; V861-A869 HydrophobicContact CG2-CB 3.85Å; R865-A869 PolarHBondContact O-N 3.45Å; F866-A869 PolarHBondContact O-N 3.02Å; A869-Y871 VanDerWaalsContact C-N 3.35Å; A869-Y871 PolarHBondContact O-N 3.31Å; A869-L872 PolarHBondContact O-N 3.43Å; A869-F873 HydrophobicContact CB-CD2 4.39Å; A869-F873 HydrophobicContact CB-CE2 4.35Å; A869-F873 WeakPolarHBondContact O-CB 3.44Å; A869-F873 WeakPolarHBondContact O-CD2 3.38Å; A869-F873 PolarHBondContact O-N 2.95Å
870A86.7Confident85.4Confident64 Ų6478.3 Ų78.353%0.52938%0.384SS..Hα-helixtrans-60.9-42.8177.600000112.2F866 D867 D868 W874F866-A870 WeakPolarHBondContact O-CB 3.29Å; F866-A870 PolarHBondContact O-N 2.91Å; D867-A870 PolarHBondContact O-N 3.19Å; D868-A870 VanDerWaalsContact C-N 3.34Å; D868-A870 PolarHBondContact O-N 3.2Å; A870-W874 WeakPolarHBondContact O-CB 3.11Å; A870-W874 PolarHBondContact O-N 3.07Å; A870-W874 VanDerWaalsContact O-N 3.07Å
871Y87.9Confident84Confident112 Ų11285.4 Ų85.444%0.43942%0.421SS..Hα-helixtrans-64.6-42.8176175.9-113.2000112.3D867 D868 A869 W874 L875D867-Y871 PolarHBondContact O-N 3.47Å; D868-Y871 PolarHBondContact O-N 3.08Å; A869-Y871 VanDerWaalsContact C-N 3.35Å; A869-Y871 PolarHBondContact O-N 3.31Å; Y871-W874 HydrophobicContact CD2-CE3 4.23Å; Y871-W874 HydrophobicContact CE2-CE3 4.19Å; Y871-W874 HydrophobicContact CE2-CZ3 4.12Å; Y871-W874 WeakPolarHBondContact O-CB 3.21Å; Y871-W874 PolarHBondContact O-N 3.24Å; Y871-L875 HydrophobicContact CD1-CD1 3.93Å; Y871-L875 HydrophobicContact CD2-CD1 4.32Å; Y871-L875 HydrophobicContact CE1-CD1 3.48Å; Y871-L875 VanDerWaalsContact CE1-CD1 3.48Å; Y871-L875 HydrophobicContact CE2-CD1 3.9Å; Y871-L875 HydrophobicContact CG-CD1 4.34Å; Y871-L875 VanDerWaalsContact CZ-CD1 3.46Å; Y871-L875 PolarHBondContact O-N 3.32Å; Y871-L875 VanDerWaalsContact O-N 3.09Å
872L88.2Confident82.1Confident18 Ų1886.2 Ų86.29%0.09444%0.44CS..Hα-helixtrans-69-40.5179.5-68.2162.8000112.4L853 L856 A857 A860 D868 A869 W874 L875 L876L853-L872 HydrophobicContact CD2-CD2 3.89Å; L856-L872 HydrophobicContact CB-CD1 3.73Å; L856-L872 HydrophobicContact CB-CD2 3.98Å; L856-L872 HydrophobicContact CB-CG 4.48Å; L856-L872 HydrophobicContact CD1-CD2 4.22Å; L856-L872 WeakPolarHBondContact O-CD1 3.38Å; A857-L872 HydrophobicContact CB-CB 3.82Å; A860-L872 HydrophobicContact CB-CD1 4.14Å; D868-L872 WeakPolarHBondContact O-CB 3.29Å; D868-L872 WeakPolarHBondContact O-CD1 3.27Å; D868-L872 VanDerWaalsContact O-CG 3.25Å; D868-L872 WeakPolarHBondContact O-CG 3.24Å; D868-L872 PolarHBondContact O-N 2.7Å; A869-L872 PolarHBondContact O-N 3.43Å; L872-W874 VanDerWaalsContact C-N 3.33Å; L872-W874 PolarHBondContact O-N 2.92Å; L872-L875 WeakPolarHBondContact O-CB 3.33Å; L872-L875 PolarHBondContact O-N 3.16Å; L872-L876 PolarHBondContact O-N 3.34Å
873F89.1Confident80.1Confident98 Ų9887.4 Ų87.443%0.4344%0.435SS..Hα-helixtrans-65.2-35.3173.7-79.6-58.6000112.5A857 V861 A869 L876 S877A857-F873 HydrophobicContact CB-CD1 4.35Å; A857-F873 HydrophobicContact CB-CE1 4.07Å; A857-F873 HydrophobicContact CB-CE2 4.35Å; A857-F873 HydrophobicContact CB-CZ 4.06Å; V861-F873 HydrophobicContact CG2-CE2 3.65Å; V861-F873 HydrophobicContact CG2-CZ 4.14Å; A869-F873 HydrophobicContact CB-CD2 4.39Å; A869-F873 HydrophobicContact CB-CE2 4.35Å; A869-F873 WeakPolarHBondContact O-CB 3.44Å; A869-F873 WeakPolarHBondContact O-CD2 3.38Å; A869-F873 PolarHBondContact O-N 2.95Å; F873-L876 HydrophobicContact CD1-CD1 4.43Å; F873-L876 PolarHBondContact O-N 2.72Å; F873-S877 WeakPolarHBondContact O-CB 3.47Å; F873-S877 PolarHBondContact O-N 3.08Å
874W86.4Confident78.1Confident144 Ų14490 Ų9055%0.54545%0.447SS..Hα-helixtrans-61.3-47.5171.3172.376.4000111.6A870 Y871 L872 L876 S877 M878A870-W874 WeakPolarHBondContact O-CB 3.11Å; A870-W874 PolarHBondContact O-N 3.07Å; A870-W874 VanDerWaalsContact O-N 3.07Å; Y871-W874 HydrophobicContact CD2-CE3 4.23Å; Y871-W874 HydrophobicContact CE2-CE3 4.19Å; Y871-W874 HydrophobicContact CE2-CZ3 4.12Å; Y871-W874 WeakPolarHBondContact O-CB 3.21Å; Y871-W874 PolarHBondContact O-N 3.24Å; L872-W874 VanDerWaalsContact C-N 3.33Å; L872-W874 PolarHBondContact O-N 2.92Å; W874-L876 VanDerWaalsContact C-N 3.31Å; W874-L876 PolarHBondContact O-N 3.23Å; W874-S877 PolarHBondContact O-N 3Å; W874-S877 PolarHBondContact O-OG 3.07Å; W874-M878 PolarHBondContact O-N 2.8Å
875L83.2Confident76.2Confident37 Ų3791.6 Ų91.619%0.19445%0.451CS..Hα-helixtrans-58.1-40.1174.5-94.7143.1000113L853 Y871 L872L853-L875 HydrophobicContact CD1-CB 4.37Å; L853-L875 HydrophobicContact CD1-CD2 4.48Å; Y871-L875 HydrophobicContact CD1-CD1 3.93Å; Y871-L875 HydrophobicContact CD2-CD1 4.32Å; Y871-L875 HydrophobicContact CE1-CD1 3.48Å; Y871-L875 VanDerWaalsContact CE1-CD1 3.48Å; Y871-L875 HydrophobicContact CE2-CD1 3.9Å; Y871-L875 HydrophobicContact CG-CD1 4.34Å; Y871-L875 VanDerWaalsContact CZ-CD1 3.46Å; Y871-L875 PolarHBondContact O-N 3.32Å; Y871-L875 VanDerWaalsContact O-N 3.09Å; L872-L875 WeakPolarHBondContact O-CB 3.33Å; L872-L875 PolarHBondContact O-N 3.16Å
876L83.6Confident74.2Confident10 Ų1089.7 Ų89.75%0.05245%0.453CS..Hα-helixtrans-66.3-43.9176.4-95.6148.1000113.3I850 L853 E854 A857 L872 F873 W874 M878 Q879 Y880I850-L876 HydrophobicContact CG2-CD2 3.96Å; L853-L876 HydrophobicContact CB-CD1 4.29Å; L853-L876 HydrophobicContact CB-CG 4.19Å; E854-L876 HydrophobicContact CG-CD1 4.17Å; E854-L876 HydrophobicContact CG-CD2 3.39Å; E854-L876 HydrophobicContact CG-CG 4.34Å; A857-L876 HydrophobicContact CB-CD1 3.8Å; L872-L876 PolarHBondContact O-N 3.34Å; F873-L876 HydrophobicContact CD1-CD1 4.43Å; F873-L876 PolarHBondContact O-N 2.72Å; W874-L876 VanDerWaalsContact C-N 3.31Å; W874-L876 PolarHBondContact O-N 3.23Å; L876-M878 PolarHBondContact O-N 2.83Å; L876-Q879 PolarHBondContact O-N 2.81Å; L876-Y880 HydrophobicContact CD2-CD2 3.91Å; L876-Y880 HydrophobicContact CD2-CE2 3.56Å; L876-Y880 PolarHBondContact O-N 3.33Å; L876-Y880 VanDerWaalsContact O-N 3.08Å
877S79.3Confident72.4Confident53 Ų5390.1 Ų90.137%0.37146%0.455SS..Hα-helixtrans-57.5-38.5-179.774.30000112.3F873 W874 Q879 Y880F873-S877 WeakPolarHBondContact O-CB 3.47Å; F873-S877 PolarHBondContact O-N 3.08Å; W874-S877 PolarHBondContact O-N 3Å; W874-S877 PolarHBondContact O-OG 3.07Å; S877-Q879 PolarHBondContact O-N 3.2Å; S877-Y880 PolarHBondContact O-N 2.87Å
878M72.4Confident70.7Confident124 Ų12487.8 Ų87.861%0.61145%0.446SS*.Hα-helixtrans-66.6-22.4177-67.7-67.1135.400112.9W874 L876W874-M878 PolarHBondContact O-N 2.8Å; L876-M878 PolarHBondContact O-N 2.83Å
879Q70.4Confident69.1Low25 Ų2592 Ų9212%0.11747%0.468CS..Hα-helixtrans-91.9-32.2179.1-60.3-158.744.200113.2I850 L876 S877I850-Q879 HydrophobicContact CD1-CB 4.14Å; I850-Q879 HydrophobicContact CG1-CB 3.96Å; I850-Q879 HydrophobicContact CG1-CG 4.45Å; L876-Q879 PolarHBondContact O-N 2.81Å; S877-Q879 PolarHBondContact O-N 3.2Å
880Y69.4Low67.8Low88 Ų8897.6 Ų97.635%0.34549%0.492SS..Hα-helixtrans-71.8-30.5-174.7-98.2-74.4000115.2I850 E854 L876 S877 G882 R883I850-Y880 HydrophobicContact CG2-CE2 4.31Å; E854-Y880 VanDerWaalsContact OE1-CE2 3.3Å; E854-Y880 WeakPolarHBondContact OE1-CE2 3.46Å; E854-Y880 VanDerWaalsContact OE1-CZ 3.24Å; E854-Y880 PolarHBondContact OE1-OH 2.86Å; L876-Y880 HydrophobicContact CD2-CD2 3.91Å; L876-Y880 HydrophobicContact CD2-CE2 3.56Å; L876-Y880 PolarHBondContact O-N 3.33Å; L876-Y880 VanDerWaalsContact O-N 3.08Å; S877-Y880 PolarHBondContact O-N 2.87Å; Y880-G882 PolarHBondContact O-N 2.85Å; Y880-R883 PolarHBondContact O-N 2.84Å
881I60.1Low67Low149 Ų14997.5 Ų97.576%0.76449%0.487SS*.THydrogen-bonded Turntrans-56.2-23.7178.2-71.9170.3000112.4
882G52.7Low66.2Low73 Ų7394 Ų9475%0.75348%0.482SS*.THydrogen-bonded Turntrans-81.8-8.4177.100000116.7Y880Y880-G882 PolarHBondContact O-N 2.85Å
883R48.8Very low65.3Low152 Ų15299.2 Ų99.257%0.57451%0.505SS*.THydrogen-bonded Turntrans-112.2-32-163.5-160.5179.9175-178.5-1.8116.6Y880Y880-R883 PolarHBondContact O-N 2.84Å
884E49.5Very low64.6Low172 Ų17299 Ų9980%0.80451%0.508SS*.SBendtrans-79.5-19.4-170.3-76.9-166.7148.100115.7P886E884-P886 WeakPolarHBondContact O-CD 3.39Å
885E48.8Very low64.1Low145 Ų14595 Ų9568%0.67850%0.497SS*.  trans-118.177.6172.9-67.4-168.716200111.8T888E885-T888 HydrophobicContact CB-CG2 4.24Å; E885-T888 PolarHBondContact O-OG1 3.19Å
886P50.6Low63.9Low73 Ų7393.4 Ų93.447%0.47449%0.488SS..SBendtrans-78.8-25.9-174.528.8-34.2000114.4E884E884-P886 WeakPolarHBondContact O-CD 3.39Å
887F49.4Very low63.6Low133 Ų13396.5 Ų96.558%0.58351%0.505SS*.SBendtrans-113.34.2-169.6-55.1-60.2000115.2L889 F890F887-L889 PolarHBondContact O-N 3.26Å; F887-F890 HydrophobicContact CB-CD2 4.26Å; F887-F890 AromaticContact CD1-CD2 3.71Å; F887-F890 HydrophobicContact CD1-CD2 3.71Å; F887-F890 AromaticContact CD1-CE2 3.72Å; F887-F890 HydrophobicContact CD1-CE2 3.72Å; F887-F890 HydrophobicContact CE1-CE2 4.28Å; F887-F890 HydrophobicContact CG-CD2 4.46Å; F887-F890 PolarHBondContact O-N 2.86Å; F887-F890 VanDerWaalsContact O-N 3.1Å
888T54Low63.4Low100 Ų10098.1 Ų98.161%0.61351%0.512SS*.THydrogen-bonded Turntrans-58.4-14.1168.636.90000112.2E885E885-T888 HydrophobicContact CB-CG2 4.24Å; E885-T888 PolarHBondContact O-OG1 3.19Å
889L53.4Low63.8Low157 Ų15792.5 Ų92.582%0.82249%0.485SS*.THydrogen-bonded Turntrans-79.6-21.2176.2-62167000114.8F887F887-L889 PolarHBondContact O-N 3.26Å
890F60.5Low64.2Low123 Ų12393.4 Ų93.454%0.53949%0.488SS..SBendtrans-90.6145.1-178.3-70.3-72.9000112.4F887F887-F890 HydrophobicContact CB-CD2 4.26Å; F887-F890 AromaticContact CD1-CD2 3.71Å; F887-F890 HydrophobicContact CD1-CD2 3.71Å; F887-F890 AromaticContact CD1-CE2 3.72Å; F887-F890 HydrophobicContact CD1-CE2 3.72Å; F887-F890 HydrophobicContact CE1-CE2 4.28Å; F887-F890 HydrophobicContact CG-CD2 4.46Å; F887-F890 PolarHBondContact O-N 2.86Å; F887-F890 VanDerWaalsContact O-N 3.1Å
891S70.2Confident64.4Low61 Ų6194.6 Ų94.643%0.42750%0.495SS..  trans-66.6146-179.471.90000112.5E893 I894S891-E893 PolarHBondContact O-N 3.49Å; S891-I894 PolarHBondContact O-N 3.09Å; S891-I894 WeakPolarHBondContact OG-CD1 3.14Å; S891-I894 WeakPolarHBondContact OG-CG1 3.41Å
892A69.4Low65.2Low40 Ų4089.2 Ų89.233%0.33147%0.469SS..Hα-helixtrans-60.4-30.2-17800000113.5F896A892-F896 PolarHBondContact O-N 2.86Å
893E70.7Confident66.5Low126 Ų12685.7 Ų85.759%0.58943%0.433SS*.Hα-helixtrans-68-39.6-178.7-67.6178176.800113.3S891 L895 F896 N897 L930S891-E893 PolarHBondContact O-N 3.49Å; E893-L895 VanDerWaalsContact C-N 3.35Å; E893-F896 WeakPolarHBondContact O-CB 3.34Å; E893-F896 PolarHBondContact O-N 2.76Å; E893-N897 PolarHBondContact O-N 2.69Å; E893-N897 PolarHBondContact O-ND2 2.96Å; E893-L930 HydrophobicContact CG-CD2 4.09Å
894I73.2Confident67.7Low93 Ų9379 Ų7948%0.47741%0.408SS..Hα-helixtrans-64-46.3178.7-65.3170.8000109.4S891 F896 N897 V898S891-I894 PolarHBondContact O-N 3.09Å; S891-I894 WeakPolarHBondContact OG-CD1 3.14Å; S891-I894 WeakPolarHBondContact OG-CG1 3.41Å; I894-F896 VanDerWaalsContact C-N 3.28Å; I894-F896 PolarHBondContact O-N 2.87Å; I894-N897 PolarHBondContact O-N 3.02Å; I894-V898 HydrophobicContact CG2-CG2 4.34Å; I894-V898 VanDerWaalsContact O-CG2 3.31Å; I894-V898 WeakPolarHBondContact O-CG2 3.34Å; I894-V898 PolarHBondContact O-N 2.8Å
895L75.6Confident68.5Low61 Ų6171.9 Ų71.932%0.31938%0.378SS..Hα-helixtrans-61.8-37.7177.8-67.4174000111.9E893 S899 Q926E893-L895 VanDerWaalsContact C-N 3.35Å; L895-S899 VanDerWaalsContact O-CB 3.3Å; L895-S899 WeakPolarHBondContact O-CB 3.46Å; L895-S899 PolarHBondContact O-N 3.43Å; L895-S899 VanDerWaalsContact O-N 3.1Å; L895-S899 PolarHBondContact O-OG 3.13Å; L895-Q926 HydrophobicContact CB-CG 4.03Å
896F79.9Confident69.6Low3 Ų365.8 Ų65.81%0.01335%0.349CS..Hα-helixtrans-63.1-49.5174.6175.6-102.6000112.6A892 E893 I894 S899 R900 L923 Q926 A927 L930 A932 L935 L974 M987A892-F896 PolarHBondContact O-N 2.86Å; E893-F896 WeakPolarHBondContact O-CB 3.34Å; E893-F896 PolarHBondContact O-N 2.76Å; I894-F896 VanDerWaalsContact C-N 3.28Å; I894-F896 PolarHBondContact O-N 2.87Å; F896-S899 PolarHBondContact O-OG 3.46Å; F896-R900 VanDerWaalsContact O-CB 3.3Å; F896-R900 WeakPolarHBondContact O-CB 3.08Å; F896-R900 PolarHBondContact O-N 2.76Å; F896-L923 HydrophobicContact CD2-CD1 4.27Å; F896-L923 HydrophobicContact CE2-CD1 4.32Å; F896-Q926 HydrophobicContact CB-CB 4.07Å; F896-Q926 HydrophobicContact CD2-CB 4.39Å; F896-A927 HydrophobicContact CD2-CB 4.31Å; F896-A927 HydrophobicContact CE2-CB 3.86Å; F896-L930 HydrophobicContact CB-CD1 3.41Å; F896-L930 VanDerWaalsContact CB-CD1 3.41Å; F896-L930 HydrophobicContact CD1-CD1 3.74Å; F896-L930 HydrophobicContact CD2-CD1 3.72Å; F896-L930 HydrophobicContact CE1-CD1 4.39Å; F896-L930 HydrophobicContact CE2-CD1 4.35Å; F896-L930 HydrophobicContact CG-CD1 3.35Å; F896-A932 HydrophobicContact CE2-CB 4.37Å; F896-A932 HydrophobicContact CZ-CB 4.41Å; F896-L935 HydrophobicContact CE2-CD2 3.62Å; F896-L935 HydrophobicContact CZ-CD2 3.72Å; F896-L974 HydrophobicContact CE1-CD2 4.4Å; F896-L974 HydrophobicContact CZ-CD1 4.43Å; F896-M987 HydrophobicContact CE1-CE 4.14Å; F896-M987 HydrophobicContact CZ-CE 3.61Å
897N76.4Confident70.5Confident76 Ų7665.3 Ų65.341%0.40634%0.341SS..Hα-helixtrans-67-41.6-177.7-78-36.8000112.8E893 I894 R900 F901E893-N897 PolarHBondContact O-N 2.69Å; E893-N897 PolarHBondContact O-ND2 2.96Å; I894-N897 PolarHBondContact O-N 3.02Å; N897-R900 PolarHBondContact O-N 2.9Å; N897-R900 PolarHBondContact OD1-NH2 3.39Å; N897-F901 PolarHBondContact O-N 2.91Å
898V76.3Confident71.2Confident86 Ų8663 Ų6352%0.52134%0.338SS..Hα-helixtrans-63.7-48.9177.3172.70000110.6I894 R900 F901 V902I894-V898 HydrophobicContact CG2-CG2 4.34Å; I894-V898 VanDerWaalsContact O-CG2 3.31Å; I894-V898 WeakPolarHBondContact O-CG2 3.34Å; I894-V898 PolarHBondContact O-N 2.8Å; V898-R900 VanDerWaalsContact C-N 3.29Å; V898-R900 PolarHBondContact O-N 2.8Å; V898-F901 PolarHBondContact O-N 3.26Å; V898-V902 VanDerWaalsContact O-CG2 3.32Å; V898-V902 WeakPolarHBondContact O-CG2 3.47Å; V898-V902 PolarHBondContact O-N 2.85Å
899S81.4Confident71.7Confident6 Ų662.2 Ų62.24%0.04233%0.333CS..Hα-helixtrans-63.8-34.8179.159.10000112.3L895 F896 A903 L923L895-S899 VanDerWaalsContact O-CB 3.3Å; L895-S899 WeakPolarHBondContact O-CB 3.46Å; L895-S899 PolarHBondContact O-N 3.43Å; L895-S899 VanDerWaalsContact O-N 3.1Å; L895-S899 PolarHBondContact O-OG 3.13Å; F896-S899 PolarHBondContact O-OG 3.46Å; S899-A903 VanDerWaalsContact O-CB 3.28Å; S899-A903 WeakPolarHBondContact O-CB 3.26Å; S899-A903 PolarHBondContact O-N 2.89Å; S899-L923 WeakPolarHBondContact OG-CA 3.29Å; S899-L923 WeakPolarHBondContact OG-CD1 3.49Å
900R78Confident72.2Confident44 Ų4459.8 Ų59.817%0.16633%0.327CS..Hα-helixtrans-64.4-47.5173.6-176.6179.670.8172.7-2.1112.4F896 N897 V898 A903 N904 L923 L974F896-R900 VanDerWaalsContact O-CB 3.3Å; F896-R900 WeakPolarHBondContact O-CB 3.08Å; F896-R900 PolarHBondContact O-N 2.76Å; N897-R900 PolarHBondContact O-N 2.9Å; N897-R900 PolarHBondContact OD1-NH2 3.39Å; V898-R900 VanDerWaalsContact C-N 3.29Å; V898-R900 PolarHBondContact O-N 2.8Å; R900-A903 PolarHBondContact O-N 3.47Å; R900-N904 PolarHBondContact O-N 3.23Å; R900-L923 HydrophobicContact CB-CD1 3.98Å; R900-L974 PolarHBondContact NH1-O 3.3Å
901F72.8Confident72.4Confident113 Ų11356.2 Ų56.250%0.49632%0.316SS..Hα-helixtrans-60.5-46.8179.2175.5-98.1000111.5N897 V898 A903 N904 S905N897-F901 PolarHBondContact O-N 2.91Å; V898-F901 PolarHBondContact O-N 3.26Å; F901-A903 PolarHBondContact O-N 3.12Å; F901-N904 PolarHBondContact O-N 3.37Å; F901-S905 WeakPolarHBondContact O-CB 3.48Å; F901-S905 PolarHBondContact O-N 2.78Å; F901-S905 PolarHBondContact O-OG 2.87Å
902V76.9Confident72Confident36 Ų3660 Ų6022%0.21833%0.332CS..Hα-helixtrans-64.4-41.4178.5178.60000110.7V898 N904 S905 I906 V914 V919V898-V902 VanDerWaalsContact O-CG2 3.32Å; V898-V902 WeakPolarHBondContact O-CG2 3.47Å; V898-V902 PolarHBondContact O-N 2.85Å; V902-N904 PolarHBondContact O-N 2.81Å; V902-S905 PolarHBondContact O-N 2.96Å; V902-I906 HydrophobicContact CG1-CD1 3.72Å; V902-I906 HydrophobicContact CG1-CG1 4.29Å; V902-I906 WeakPolarHBondContact O-CD1 3.46Å; V902-I906 VanDerWaalsContact O-CG1 3.23Å; V902-I906 WeakPolarHBondContact O-CG1 3.43Å; V902-I906 PolarHBondContact O-N 3.33Å; V902-V914 HydrophobicContact CG1-CG1 4.37Å; V902-V919 HydrophobicContact CB-CG1 4.08Å; V902-V919 HydrophobicContact CG1-CG1 3.9Å; V902-V919 HydrophobicContact CG1-CG2 3.86Å
903A80Confident72.1Confident0 Ų066.4 Ų66.40%036%0.361CS..Hα-helixtrans-60.9-41.4176.800000113.2S899 R900 F901 V919 Y920 L923 L988S899-A903 VanDerWaalsContact O-CB 3.28Å; S899-A903 WeakPolarHBondContact O-CB 3.26Å; S899-A903 PolarHBondContact O-N 2.89Å; R900-A903 PolarHBondContact O-N 3.47Å; F901-A903 PolarHBondContact O-N 3.12Å; A903-V919 HydrophobicContact CB-CG1 4.32Å; A903-Y920 HydrophobicContact CB-CE1 3.99Å; A903-L923 HydrophobicContact CB-CD2 3.82Å; A903-L988 HydrophobicContact CB-CD2 4.12Å
904N73.8Confident72.3Confident11 Ų1163.6 Ų63.66%0.05935%0.352CS..Hα-helixtrans-68.3-39174.5-80.3-31.7000112.3R900 F901 V902 Q907 L988 S989 A993R900-N904 PolarHBondContact O-N 3.23Å; F901-N904 PolarHBondContact O-N 3.37Å; V902-N904 PolarHBondContact O-N 2.81Å; N904-Q907 PolarHBondContact O-N 2.77Å; N904-L988 WeakPolarHBondContact OD1-CA 3.12Å; N904-L988 WeakPolarHBondContact OD1-CD2 3.29Å; N904-S989 PolarHBondContact OD1-N 3.03Å; N904-A993 HydrophobicContact CB-CB 4.15Å
905S67.9Low72.7Confident23 Ų2361.7 Ų61.716%0.16135%0.347CS..Hα-helixtrans-64.4-40.3178.5-56.60000111.7F901 V902 Q907 T908 T909F901-S905 WeakPolarHBondContact O-CB 3.48Å; F901-S905 PolarHBondContact O-N 2.78Å; F901-S905 PolarHBondContact O-OG 2.87Å; V902-S905 PolarHBondContact O-N 2.96Å; S905-Q907 PolarHBondContact O-N 3.07Å; S905-T908 PolarHBondContact O-N 2.85Å; S905-T908 VanDerWaalsContact O-N 3.11Å; S905-T908 PolarHBondContact O-OG1 2.97Å; S905-T909 PolarHBondContact O-N 3.33Å; S905-T909 PolarHBondContact O-OG1 2.89Å
906I72Confident73Confident16 Ų1662 Ų628%0.08235%0.347CS..Hα-helixtrans-60.9-31.1176.6-70.3162000112.1V902 T908 T909 C911 Q916 V919V902-I906 HydrophobicContact CG1-CD1 3.72Å; V902-I906 HydrophobicContact CG1-CG1 4.29Å; V902-I906 WeakPolarHBondContact O-CD1 3.46Å; V902-I906 VanDerWaalsContact O-CG1 3.23Å; V902-I906 WeakPolarHBondContact O-CG1 3.43Å; V902-I906 PolarHBondContact O-N 3.33Å; I906-T908 VanDerWaalsContact C-N 3.32Å; I906-T909 WeakPolarHBondContact CA-O 3.2Å; I906-C911 HydrophobicContact CG1-CB 4.41Å; I906-Q916 HydrophobicContact CD1-CG 4.31Å; I906-Q916 HydrophobicContact CG2-CG 4.26Å; I906-V919 HydrophobicContact CD1-CG1 4.37Å
907Q68.3Low73.3Confident63 Ų6362.5 Ų62.529%0.29435%0.35SS..Hα-helixtrans-72.9-24.2178.4-68.4-173.15.600113.7N904 S905N904-Q907 PolarHBondContact O-N 2.77Å; S905-Q907 PolarHBondContact O-N 3.07Å
908T64.4Low73.7Confident84 Ų8467.7 Ų67.752%0.51536%0.364SS..Hα-helixtrans-99-39.3-178.149.20000111.7S905 I906 K990S905-T908 PolarHBondContact O-N 2.85Å; S905-T908 VanDerWaalsContact O-N 3.11Å; S905-T908 PolarHBondContact O-OG1 2.97Å; I906-T908 VanDerWaalsContact C-N 3.32Å; T908-K990 WeakPolarHBondContact CG2-O 3.36Å
909T65.7Low74.2Confident85 Ų8564.3 Ų64.352%0.52134%0.344SS..SBendtrans-136.6118.1178.434.30000109.3S905 I906 C911S905-T909 PolarHBondContact O-N 3.33Å; S905-T909 PolarHBondContact O-OG1 2.89Å; I906-T909 WeakPolarHBondContact CA-O 3.2Å; T909-C911 PolarHBondContact O-N 3.13Å
910P62.7Low74.5Confident105 Ų10564.4 Ų64.468%0.68234%0.343SS*.  trans-63121.1175.625-31.1000110
911C64.4Low75.1Confident48 Ų4864.7 Ų64.732%0.32434%0.344SS..  trans-87.6113.5174.5-59.60000110.1I906 T909 V914I906-C911 HydrophobicContact CG1-CB 4.41Å; T909-C911 PolarHBondContact O-N 3.13Å; C911-V914 HydrophobicContact CB-CB 4.38Å; C911-V914 HydrophobicContact CB-CG2 4.28Å
912D62.9Low75.7Confident141 Ų14162 Ų6275%0.75434%0.338SS*.THydrogen-bonded Turntrans-66.9145.7174.4-66.4-29.1000110.9V914D912-V914 PolarHBondContact O-N 2.9Å; D912-V914 VanDerWaalsContact O-N 3.12Å
913N71.4Confident76.3Confident175 Ų17560.3 Ų60.394%0.93633%0.327SS*.THydrogen-bonded Turntrans67.8-6.1179.3-55.5-35.9000118.1
914V75.4Confident76.7Confident66 Ų6660.3 Ų60.340%0.433%0.327SS..SBendtrans-88.1119.5172.8-178.60000109.5V902 C911 D912 Q916 V919V902-V914 HydrophobicContact CG1-CG1 4.37Å; C911-V914 HydrophobicContact CB-CB 4.38Å; C911-V914 HydrophobicContact CB-CG2 4.28Å; D912-V914 PolarHBondContact O-N 2.9Å; D912-V914 VanDerWaalsContact O-N 3.12Å; V914-Q916 PolarHBondContact O-N 3.28Å; V914-V919 HydrophobicContact CG1-CG2 3.65Å
915S81.1Confident77.4Confident54 Ų5465 Ų6538%0.37835%0.347SS..  trans-64.5104.5176178.70000110.4V917 R918 V919S915-V917 PolarHBondContact O-N 3.48Å; S915-R918 PolarHBondContact O-N 3.1Å; S915-R918 VanDerWaalsContact O-N 3.08Å; S915-R918 PolarHBondContact OG-N 3.15Å; S915-V919 PolarHBondContact O-N 2.76Å; S915-V919 VanDerWaalsContact O-N 3.13Å
916Q81.8Confident78.4Confident68 Ų6865.5 Ų65.532%0.31835%0.347SS..Hα-helixtrans-55.7-35.1173.9-60.2-172.6-0.100111.1I906 V914 V919 Y920 L946I906-Q916 HydrophobicContact CD1-CG 4.31Å; I906-Q916 HydrophobicContact CG2-CG 4.26Å; V914-Q916 PolarHBondContact O-N 3.28Å; Q916-V919 PolarHBondContact O-N 2.8Å; Q916-Y920 HydrophobicContact CB-CD2 4.29Å; Q916-Y920 HydrophobicContact CB-CE2 4.36Å; Q916-Y920 WeakPolarHBondContact O-CD2 3.43Å; Q916-Y920 PolarHBondContact O-N 2.87Å; Q916-L946 HydrophobicContact CB-CD1 3.73Å
917V85.9Confident79.1Confident13 Ų1364.7 Ų64.78%0.07934%0.343CS..Hα-helixtrans-59.9-47.7175.9177.50000111.6S915 Y921 L943 L946 L948 L952S915-V917 PolarHBondContact O-N 3.48Å; V917-Y921 WeakPolarHBondContact O-CB 3.23Å; V917-Y921 PolarHBondContact O-N 3Å; V917-L943 HydrophobicContact CB-CD2 4.49Å; V917-L943 HydrophobicContact CG1-CD2 4.1Å; V917-L943 WeakPolarHBondContact O-CD2 3.44Å; V917-L946 HydrophobicContact CG2-CB 4.05Å; V917-L946 HydrophobicContact CG2-CD1 4.26Å; V917-L948 HydrophobicContact CG1-CD2 3.63Å; V917-L948 HydrophobicContact CG2-CD2 4.3Å; V917-L952 HydrophobicContact CG1-CD1 4.19Å
918R85.7Confident80Confident184 Ų18463.3 Ų63.369%0.69434%0.337SS*.Hα-helixtrans-66.9-37.9178.8-70.7-173.5177.8-171.3-0.1112.2S915 T922S915-R918 PolarHBondContact O-N 3.1Å; S915-R918 VanDerWaalsContact O-N 3.08Å; S915-R918 PolarHBondContact OG-N 3.15Å; R918-T922 WeakPolarHBondContact O-CB 3.24Å; R918-T922 WeakPolarHBondContact O-CG2 3.31Å; R918-T922 PolarHBondContact O-N 3.43Å; R918-T922 PolarHBondContact O-OG1 2.84Å
919V86.2Confident80.9Confident16 Ų1662.7 Ų62.710%0.09734%0.341CS..Hα-helixtrans-64.5-52.1177.51760000110.7V902 A903 I906 V914 S915 Q916 Y921 T922 L923V902-V919 HydrophobicContact CB-CG1 4.08Å; V902-V919 HydrophobicContact CG1-CG1 3.9Å; V902-V919 HydrophobicContact CG1-CG2 3.86Å; A903-V919 HydrophobicContact CB-CG1 4.32Å; I906-V919 HydrophobicContact CD1-CG1 4.37Å; V914-V919 HydrophobicContact CG1-CG2 3.65Å; S915-V919 PolarHBondContact O-N 2.76Å; S915-V919 VanDerWaalsContact O-N 3.13Å; Q916-V919 PolarHBondContact O-N 2.8Å; V919-Y921 VanDerWaalsContact C-N 3.33Å; V919-Y921 PolarHBondContact O-N 2.95Å; V919-T922 PolarHBondContact O-N 2.87Å; V919-T922 PolarHBondContact O-OG1 3.06Å; V919-L923 VanDerWaalsContact O-CB 3.28Å; V919-L923 WeakPolarHBondContact O-CB 3.14Å; V919-L923 PolarHBondContact O-N 3.2Å
920Y88.2Confident81.9Confident7 Ų761 Ų613%0.02733%0.328CS..Hα-helixtrans-68.7-30.3179.1-73.4-69000112.6A903 Q916 L923 A924 A939 H942 L946A903-Y920 HydrophobicContact CB-CE1 3.99Å; Q916-Y920 HydrophobicContact CB-CD2 4.29Å; Q916-Y920 HydrophobicContact CB-CE2 4.36Å; Q916-Y920 WeakPolarHBondContact O-CD2 3.43Å; Q916-Y920 PolarHBondContact O-N 2.87Å; Y920-L923 HydrophobicContact CD1-CD2 4.44Å; Y920-A924 WeakPolarHBondContact O-CB 3.29Å; Y920-A924 PolarHBondContact O-N 2.9Å; Y920-A939 HydrophobicContact CD1-CB 4.31Å; Y920-H942 HydrophobicContact CD1-CB 4.02Å; Y920-H942 HydrophobicContact CD2-CB 4.4Å; Y920-H942 HydrophobicContact CE1-CB 3.94Å; Y920-H942 HydrophobicContact CE2-CB 4.35Å; Y920-H942 HydrophobicContact CG-CB 4.26Å; Y920-L946 HydrophobicContact CD2-CD1 3.93Å; Y920-L946 HydrophobicContact CE2-CD1 4.38Å
921Y89.3Confident82.9Confident50 Ų5056.9 Ų56.920%0.19631%0.305CS..Hα-helixtrans-69.1-46.2174.7178.5-108.2000112.6V917 V919 A924 K925 L952 A955 V956 L959V917-Y921 WeakPolarHBondContact O-CB 3.23Å; V917-Y921 PolarHBondContact O-N 3Å; V919-Y921 VanDerWaalsContact C-N 3.33Å; V919-Y921 PolarHBondContact O-N 2.95Å; Y921-A924 PolarHBondContact O-N 2.82Å; Y921-K925 VanDerWaalsContact O-CB 3.32Å; Y921-K925 WeakPolarHBondContact O-CB 3.45Å; Y921-K925 PolarHBondContact O-N 2.92Å; Y921-L952 HydrophobicContact CD1-CD2 4.34Å; Y921-L952 HydrophobicContact CE1-CD2 4.14Å; Y921-A955 HydrophobicContact CE2-CB 4.29Å; Y921-V956 HydrophobicContact CD2-CG2 3.7Å; Y921-V956 HydrophobicContact CE2-CG2 4.14Å; Y921-L959 HydrophobicContact CD2-CD2 4.11Å; Y921-L959 HydrophobicContact CE2-CD2 4.1Å
922T86.8Confident84Confident58 Ų5854.6 Ų54.636%0.35629%0.289SS..Hα-helixtrans-62.6-44.1174.348.20000110.9R918 V919 A924 K925 Q926R918-T922 WeakPolarHBondContact O-CB 3.24Å; R918-T922 WeakPolarHBondContact O-CG2 3.31Å; R918-T922 PolarHBondContact O-N 3.43Å; R918-T922 PolarHBondContact O-OG1 2.84Å; V919-T922 PolarHBondContact O-N 2.87Å; V919-T922 PolarHBondContact O-OG1 3.06Å; T922-A924 PolarHBondContact O-N 3.46Å; T922-K925 PolarHBondContact O-N 3.34Å; T922-Q926 WeakPolarHBondContact O-CB 3.34Å; T922-Q926 VanDerWaalsContact O-CG 3.32Å; T922-Q926 WeakPolarHBondContact O-CG 3.33Å; T922-Q926 PolarHBondContact O-N 2.84Å
923L87.7Confident85.2Confident0 Ų049.9 Ų49.90%026%0.262CS..Hα-helixtrans-58.1-48.3174.4-175.461000111.6F896 S899 R900 A903 V919 Y920 A927 L935 A939F896-L923 HydrophobicContact CD2-CD1 4.27Å; F896-L923 HydrophobicContact CE2-CD1 4.32Å; S899-L923 WeakPolarHBondContact OG-CA 3.29Å; S899-L923 WeakPolarHBondContact OG-CD1 3.49Å; R900-L923 HydrophobicContact CB-CD1 3.98Å; A903-L923 HydrophobicContact CB-CD2 3.82Å; V919-L923 VanDerWaalsContact O-CB 3.28Å; V919-L923 WeakPolarHBondContact O-CB 3.14Å; V919-L923 PolarHBondContact O-N 3.2Å; Y920-L923 HydrophobicContact CD1-CD2 4.44Å; L923-A927 WeakPolarHBondContact O-CA 3.49Å; L923-A927 WeakPolarHBondContact O-CB 3.4Å; L923-A927 PolarHBondContact O-N 2.78Å; L923-L935 HydrophobicContact CD1-CD2 4.14Å; L923-L935 HydrophobicContact CD2-CD1 4.42Å; L923-A939 HydrophobicContact CD2-CB 4.33Å; L923-A939 HydrophobicContact CG-CB 4.44Å
924A89.2Confident85.8Confident0 Ų045.6 Ų45.60%024%0.235CC..Hα-helixtrans-65.1-42.9179.700000112.1Y920 Y921 T922 L928 S936 A939 L943 L959Y920-A924 WeakPolarHBondContact O-CB 3.29Å; Y920-A924 PolarHBondContact O-N 2.9Å; Y921-A924 PolarHBondContact O-N 2.82Å; T922-A924 PolarHBondContact O-N 3.46Å; A924-L928 WeakPolarHBondContact O-CB 3.21Å; A924-L928 PolarHBondContact O-N 2.89Å; A924-S936 PolarHBondContact O-OG 2.95Å; A924-A939 HydrophobicContact CB-CB 3.89Å; A924-L943 HydrophobicContact CB-CD1 4.42Å; A924-L959 HydrophobicContact CB-CD2 3.49Å; A924-L959 VanDerWaalsContact CB-CD2 3.49Å
925K88.6Confident86.4Confident110 Ų11042.5 Ų42.548%0.47822%0.217SC..Hα-helixtrans-63.7-47178.6-175.6178.7177.9-1790111.8Y921 T922 A929Y921-K925 VanDerWaalsContact O-CB 3.32Å; Y921-K925 WeakPolarHBondContact O-CB 3.45Å; Y921-K925 PolarHBondContact O-N 2.92Å; T922-K925 PolarHBondContact O-N 3.34Å; K925-A929 PolarHBondContact O-N 3.39Å; K925-A929 VanDerWaalsContact O-N 3.12Å
926Q88.7Confident86.7Confident32 Ų3239.9 Ų39.915%0.1520%0.199CC..Hα-helixtrans-75.6-34.3-179.9-57.2-54.7-14.900112.2L895 F896 T922 L928 A929 L930L895-Q926 HydrophobicContact CB-CG 4.03Å; F896-Q926 HydrophobicContact CB-CB 4.07Å; F896-Q926 HydrophobicContact CD2-CB 4.39Å; T922-Q926 WeakPolarHBondContact O-CB 3.34Å; T922-Q926 VanDerWaalsContact O-CG 3.32Å; T922-Q926 WeakPolarHBondContact O-CG 3.33Å; T922-Q926 PolarHBondContact O-N 2.84Å; Q926-L928 VanDerWaalsContact C-N 3.32Å; Q926-L928 PolarHBondContact O-N 2.84Å; Q926-A929 PolarHBondContact O-N 3.46Å; Q926-A929 VanDerWaalsContact O-N 3.15Å; Q926-L930 WeakPolarHBondContact O-CB 3.34Å; Q926-L930 WeakPolarHBondContact O-CG 3.47Å; Q926-L930 PolarHBondContact O-N 3.48Å
927A87.5Confident87Confident0 Ų039.2 Ų39.20%019%0.193CC..Hα-helixtrans-61.6-40.5172.200000111.6F896 L923 G931 A932 L935F896-A927 HydrophobicContact CD2-CB 4.31Å; F896-A927 HydrophobicContact CE2-CB 3.86Å; L923-A927 WeakPolarHBondContact O-CA 3.49Å; L923-A927 WeakPolarHBondContact O-CB 3.4Å; L923-A927 PolarHBondContact O-N 2.78Å; A927-G931 PolarHBondContact O-N 3.29Å; A927-G931 VanDerWaalsContact O-N 3.12Å; A927-A932 HydrophobicContact CB-CB 4.13Å; A927-A932 PolarHBondContact O-N 3.43Å; A927-L935 HydrophobicContact CB-CD2 4.29Å; A927-L935 HydrophobicContact CB-CG 4.3Å
928L87Confident87.2Confident33 Ų3340.9 Ų40.917%0.17320%0.201CC..Hα-helixtrans-62.3-43.3171.9179.669.7000111.6A924 Q926 G931 F933 L959 M962 V963A924-L928 WeakPolarHBondContact O-CB 3.21Å; A924-L928 PolarHBondContact O-N 2.89Å; Q926-L928 VanDerWaalsContact C-N 3.32Å; Q926-L928 PolarHBondContact O-N 2.84Å; L928-G931 PolarHBondContact O-N 3.43Å; L928-F933 HydrophobicContact CD1-CD1 4.04Å; L928-F933 HydrophobicContact CD1-CE1 4.04Å; L928-L959 HydrophobicContact CB-CD1 4.4Å; L928-L959 HydrophobicContact CD2-CD1 3.57Å; L928-M962 HydrophobicContact CD2-CB 4.41Å; L928-M962 HydrophobicContact CD2-CE 4.09Å; L928-M962 HydrophobicContact CD2-SD 4.5Å; L928-V963 HydrophobicContact CD1-CG2 3.95Å
929A84Confident87.3Confident72 Ų7232.1 Ų32.160%0.59517%0.168SC*.Hα-helixtrans-64.9-37.3179.600000112.9K925 Q926 G931K925-A929 PolarHBondContact O-N 3.39Å; K925-A929 VanDerWaalsContact O-N 3.12Å; Q926-A929 PolarHBondContact O-N 3.46Å; Q926-A929 VanDerWaalsContact O-N 3.15Å; A929-G931 VanDerWaalsContact C-N 3.35Å
930L85.4Confident87.4Confident48 Ų4831.6 Ų31.625%0.25117%0.165SC..THydrogen-bonded Turntrans-87.11.5178.3-65.3171.3000113.8E893 F896 Q926 A932 L974E893-L930 HydrophobicContact CG-CD2 4.09Å; F896-L930 HydrophobicContact CB-CD1 3.41Å; F896-L930 VanDerWaalsContact CB-CD1 3.41Å; F896-L930 HydrophobicContact CD1-CD1 3.74Å; F896-L930 HydrophobicContact CD2-CD1 3.72Å; F896-L930 HydrophobicContact CE1-CD1 4.39Å; F896-L930 HydrophobicContact CE2-CD1 4.35Å; F896-L930 HydrophobicContact CG-CD1 3.35Å; Q926-L930 WeakPolarHBondContact O-CB 3.34Å; Q926-L930 WeakPolarHBondContact O-CG 3.47Å; Q926-L930 PolarHBondContact O-N 3.48Å; L930-A932 PolarHBondContact O-N 2.91Å; L930-L974 HydrophobicContact CB-CD1 4.24Å
931G84.8Confident87.4Confident19 Ų1934.6 Ų34.620%0.19618%0.182CC..THydrogen-bonded Turntrans79.67.7178.600000116.1A927 L928 A929 F933 P971A927-G931 PolarHBondContact O-N 3.29Å; A927-G931 VanDerWaalsContact O-N 3.12Å; L928-G931 PolarHBondContact O-N 3.43Å; A929-G931 VanDerWaalsContact C-N 3.35Å; G931-F933 VanDerWaalsContact C-N 3.27Å; G931-F933 WeakPolarHBondContact O-CD2 3.37Å; G931-F933 PolarHBondContact O-N 3.29Å; G931-P971 WeakPolarHBondContact O-CD 3.27Å
932A86.2Confident87.3Confident0 Ų034.3 Ų34.30%018%0.182CC..  trans-78.270.1173.200000111.4F896 A927 L930 L935 S936 D970 L974F896-A932 HydrophobicContact CE2-CB 4.37Å; F896-A932 HydrophobicContact CZ-CB 4.41Å; A927-A932 HydrophobicContact CB-CB 4.13Å; A927-A932 PolarHBondContact O-N 3.43Å; L930-A932 PolarHBondContact O-N 2.91Å; A932-L935 HydrophobicContact CB-CB 4.12Å; A932-L935 HydrophobicContact CB-CD2 4.49Å; A932-L935 PolarHBondContact O-N 3.1Å; A932-S936 WeakPolarHBondContact O-CB 3.33Å; A932-S936 PolarHBondContact O-N 3.07Å; A932-D970 VanDerWaalsContact CA-OD1 3.23Å; A932-D970 WeakPolarHBondContact CA-OD1 3.46Å; A932-L974 HydrophobicContact CB-CD1 3.86Å
933F87.8Confident87.4Confident42 Ų4231.6 Ų31.618%0.18417%0.165CC..Hα-helixtrans-70.5-32.9-170.8-54.5-52.2000114.1L928 G931 R937 K966 P967 D970L928-F933 HydrophobicContact CD1-CD1 4.04Å; L928-F933 HydrophobicContact CD1-CE1 4.04Å; G931-F933 VanDerWaalsContact C-N 3.27Å; G931-F933 WeakPolarHBondContact O-CD2 3.37Å; G931-F933 PolarHBondContact O-N 3.29Å; F933-R937 WeakPolarHBondContact O-CB 3.46Å; F933-R937 PolarHBondContact O-N 2.87Å; F933-K966 HydrophobicContact CB-CB 3.98Å; F933-K966 HydrophobicContact CD1-CB 3.78Å; F933-K966 HydrophobicContact CD1-CD 4.45Å; F933-K966 HydrophobicContact CD1-CG 3.82Å; F933-K966 HydrophobicContact CD2-CB 4.08Å; F933-K966 HydrophobicContact CE1-CB 4.3Å; F933-K966 HydrophobicContact CE1-CD 4.11Å; F933-K966 HydrophobicContact CE1-CG 3.93Å; F933-K966 HydrophobicContact CG-CB 3.66Å; F933-K966 HydrophobicContact CG-CG 4.21Å; F933-K966 HydrophobicContact CZ-CD 4.15Å; F933-K966 HydrophobicContact CZ-CG 4.4Å; F933-P967 VanDerWaalsContact CB-O 3.29Å; F933-P967 WeakPolarHBondContact CB-O 3.49Å; F933-P967 HydrophobicContact CD2-CG 4.22Å; F933-D970 PolarHBondContact N-OD1 2.84Å
934K85.7Confident87.2Confident85 Ų8534.7 Ų34.737%0.3720%0.197SC..Hα-helixtrans-69.7-43.9176160.1-178.6-176-170.50110R937 I938 F968 D970K934-R937 PolarHBondContact O-N 3.41Å; K934-I938 HydrophobicContact CG-CD1 3.99Å; K934-I938 VanDerWaalsContact O-CG1 3.28Å; K934-I938 WeakPolarHBondContact O-CG1 2.86Å; K934-I938 PolarHBondContact O-N 3.46Å; K934-F968 HydrophobicContact CB-CD1 4.47Å; K934-F968 HydrophobicContact CB-CD2 4.06Å; K934-F968 HydrophobicContact CB-CE2 4.15Å; K934-F968 HydrophobicContact CB-CG 4.26Å; K934-F968 HydrophobicContact CB-CZ 4.39Å; K934-F968 HydrophobicContact CD-CD1 4.26Å; K934-F968 HydrophobicContact CD-CE1 3.93Å; K934-F968 HydrophobicContact CD-CZ 4.23Å; K934-F968 HydrophobicContact CG-CD1 4.24Å; K934-F968 HydrophobicContact CG-CD2 4.24Å; K934-F968 HydrophobicContact CG-CE1 3.86Å; K934-F968 HydrophobicContact CG-CE2 3.87Å; K934-F968 HydrophobicContact CG-CG 4.44Å; K934-F968 HydrophobicContact CG-CZ 3.68Å; K934-D970 WeakPolarHBondContact CA-OD1 3.42Å; K934-D970 WeakPolarHBondContact CB-OD1 3.4Å; K934-D970 WeakPolarHBondContact CB-OD2 3.23Å; K934-D970 WeakPolarHBondContact CG-OD2 3.37Å; K934-D970 PolarHBondContact N-OD1 3.49Å
935L86.3Confident87Confident1 Ų143.8 Ų43.81%0.00523%0.232CC..Hα-helixtrans-61.6-46.7173.3177.260.5000111.7F896 L923 A927 A932 R937 I938 A939 D970 M987 L988F896-L935 HydrophobicContact CE2-CD2 3.62Å; F896-L935 HydrophobicContact CZ-CD2 3.72Å; L923-L935 HydrophobicContact CD1-CD2 4.14Å; L923-L935 HydrophobicContact CD2-CD1 4.42Å; A927-L935 HydrophobicContact CB-CD2 4.29Å; A927-L935 HydrophobicContact CB-CG 4.3Å; A932-L935 HydrophobicContact CB-CB 4.12Å; A932-L935 HydrophobicContact CB-CD2 4.49Å; A932-L935 PolarHBondContact O-N 3.1Å; L935-R937 PolarHBondContact O-N 2.88Å; L935-I938 PolarHBondContact O-N 3.03Å; L935-A939 WeakPolarHBondContact O-CB 3.22Å; L935-A939 PolarHBondContact O-N 3.21Å; L935-D970 PolarHBondContact N-OD1 3.37Å; L935-D970 PolarHBondContact N-OD2 2.95Å; L935-M987 HydrophobicContact CB-CB 4.41Å; L935-M987 HydrophobicContact CD1-CB 4.01Å; L935-M987 HydrophobicContact CD2-CB 4.19Å; L935-M987 HydrophobicContact CD2-CE 3.94Å; L935-M987 HydrophobicContact CG-CB 4.45Å; L935-L988 HydrophobicContact CD1-CD1 3.52Å; L935-L988 HydrophobicContact CD1-CD2 4.49Å; L935-L988 HydrophobicContact CD1-CG 3.62Å
936S88.6Confident87Confident0 Ų041 Ų410%022%0.221CC..Hα-helixtrans-58.1-38.3177.4-171.30000111.6A924 A932 A939 C940 V963A924-S936 PolarHBondContact O-OG 2.95Å; A932-S936 WeakPolarHBondContact O-CB 3.33Å; A932-S936 PolarHBondContact O-N 3.07Å; S936-A939 PolarHBondContact O-N 3.4Å; S936-C940 PolarHBondContact O-N 3.17Å; S936-C940 PolarHBondContact O-SG 2.71Å; S936-C940 VanDerWaalsContact O-SG 3.35Å; S936-V963 WeakPolarHBondContact OG-CG2 3.4Å
937R88.7Confident86.8Confident54 Ų5451 Ų5120%0.20426%0.258CS..Hα-helixtrans-69-43.5178.7-166.4173.5-70177.10111.4F933 K934 L935 A939 C940 D941 V963 R964 K966 F968F933-R937 WeakPolarHBondContact O-CB 3.46Å; F933-R937 PolarHBondContact O-N 2.87Å; K934-R937 PolarHBondContact O-N 3.41Å; L935-R937 PolarHBondContact O-N 2.88Å; R937-A939 VanDerWaalsContact C-N 3.31Å; R937-A939 PolarHBondContact O-N 3.08Å; R937-C940 PolarHBondContact O-N 3.27Å; R937-D941 PolarHBondContact O-N 3.41Å; R937-V963 HydrophobicContact CB-CG1 3.62Å; R937-V963 HydrophobicContact CG-CG1 4.23Å; R937-V963 PolarHBondContact NH2-O 2.89Å; R937-R964 VanDerWaalsContact NH2-C 3.29Å; R937-R964 PolarHBondContact NH2-O 3.26Å; R937-K966 PolarHBondContact NH2-O 3.04Å; R937-F968 HydrophobicContact CB-CD2 4.25Å; R937-F968 HydrophobicContact CB-CE2 4.11Å; R937-F968 HydrophobicContact CG-CE2 4.38Å
938I88.1Confident86.6Confident48 Ų4852.6 Ų52.625%0.24627%0.266CS..Hα-helixtrans-61.9-41.8176.2-64.3163.1000110.2K934 L935 D941 H942 F968 L988K934-I938 HydrophobicContact CG-CD1 3.99Å; K934-I938 VanDerWaalsContact O-CG1 3.28Å; K934-I938 WeakPolarHBondContact O-CG1 2.86Å; K934-I938 PolarHBondContact O-N 3.46Å; L935-I938 PolarHBondContact O-N 3.03Å; I938-D941 PolarHBondContact O-N 3.08Å; I938-H942 PolarHBondContact O-CD2 2.91Å; I938-H942 PolarHBondContact O-N 3.29Å; I938-F968 HydrophobicContact CG1-CZ 4.45Å; I938-L988 HydrophobicContact CB-CD1 4.18Å; I938-L988 HydrophobicContact CG2-CD1 3.45Å; I938-L988 VanDerWaalsContact CG2-CD1 3.45Å
939A88.1Confident86.5Confident0 Ų054 Ų540%028%0.277CS..Hα-helixtrans-63.1-41.4175.700000112.3Y920 L923 A924 L935 S936 R937 H942 L943Y920-A939 HydrophobicContact CD1-CB 4.31Å; L923-A939 HydrophobicContact CD2-CB 4.33Å; L923-A939 HydrophobicContact CG-CB 4.44Å; A924-A939 HydrophobicContact CB-CB 3.89Å; L935-A939 WeakPolarHBondContact O-CB 3.22Å; L935-A939 PolarHBondContact O-N 3.21Å; S936-A939 PolarHBondContact O-N 3.4Å; R937-A939 VanDerWaalsContact C-N 3.31Å; R937-A939 PolarHBondContact O-N 3.08Å; A939-H942 PolarHBondContact O-N 2.75Å; A939-L943 WeakPolarHBondContact O-CG 3.21Å; A939-L943 PolarHBondContact O-N 2.8Å
940C89.9Confident86.3Confident5 Ų557.1 Ų57.13%0.03428%0.284CS..Hα-helixtrans-62.3-40.8171.9-73.60000112.6S936 R937 H942 L943 G944 T960S936-C940 PolarHBondContact O-N 3.17Å; S936-C940 PolarHBondContact O-SG 2.71Å; S936-C940 VanDerWaalsContact O-SG 3.35Å; R937-C940 PolarHBondContact O-N 3.27Å; C940-H942 VanDerWaalsContact C-N 3.29Å; C940-H942 PolarHBondContact O-N 3.44Å; C940-L943 WeakPolarHBondContact O-CB 3.37Å; C940-L943 PolarHBondContact O-N 3.23Å; C940-G944 PolarHBondContact O-N 3.43Å; C940-T960 HydrophobicContact CB-CG2 4.26Å
941D86.8Confident85.9Confident70 Ų7064.1 Ų64.137%0.37431%0.312SS..Hα-helixtrans-64.7-35.1175.8-70.3-21.2000111.7R937 I938R937-D941 PolarHBondContact O-N 3.41Å; I938-D941 PolarHBondContact O-N 3.08Å
942H87.5Confident85.8Confident44 Ų4465 Ų6520%0.20431%0.313CS..Hα-helixtrans-67.8-41.6171.2-84.6-80.3000112.2Y920 I938 A939 C940 G944 R945Y920-H942 HydrophobicContact CD1-CB 4.02Å; Y920-H942 HydrophobicContact CD2-CB 4.4Å; Y920-H942 HydrophobicContact CE1-CB 3.94Å; Y920-H942 HydrophobicContact CE2-CB 4.35Å; Y920-H942 HydrophobicContact CG-CB 4.26Å; I938-H942 PolarHBondContact O-CD2 2.91Å; I938-H942 PolarHBondContact O-N 3.29Å; A939-H942 PolarHBondContact O-N 2.75Å; C940-H942 VanDerWaalsContact C-N 3.29Å; C940-H942 PolarHBondContact O-N 3.44Å; H942-G944 VanDerWaalsContact C-N 3.29Å; H942-G944 PolarHBondContact O-N 3.14Å; H942-R945 PolarHBondContact O-N 3.42Å; H942-R945 VanDerWaalsContact O-N 3.1Å
943L88.1Confident85.6Confident0 Ų069.8 Ų69.80%034%0.335CS..Hα-helixtrans-58.9-40.4174.4-76.2167.2000112V917 A924 A939 C940 R945 L946 L948 V956V917-L943 HydrophobicContact CB-CD2 4.49Å; V917-L943 HydrophobicContact CG1-CD2 4.1Å; V917-L943 WeakPolarHBondContact O-CD2 3.44Å; A924-L943 HydrophobicContact CB-CD1 4.42Å; A939-L943 WeakPolarHBondContact O-CG 3.21Å; A939-L943 PolarHBondContact O-N 2.8Å; C940-L943 WeakPolarHBondContact O-CB 3.37Å; C940-L943 PolarHBondContact O-N 3.23Å; L943-R945 PolarHBondContact O-N 2.85Å; L943-L946 PolarHBondContact O-N 3.17Å; L943-L948 HydrophobicContact CB-CD2 4.44Å; L943-L948 HydrophobicContact CD2-CD2 4.08Å; L943-V956 HydrophobicContact CB-CG1 4.13Å; L943-V956 HydrophobicContact CD1-CG1 4.08Å; L943-V956 HydrophobicContact CD1-CG2 4.36Å
944G84.3Confident85.5Confident66 Ų6672.5 Ų72.568%0.6836%0.355SS*.THydrogen-bonded Turntrans-65.9-15.2177.100000114.6C940 H942C940-G944 PolarHBondContact O-N 3.43Å; H942-G944 VanDerWaalsContact C-N 3.29Å; H942-G944 PolarHBondContact O-N 3.14Å
945R85.8Confident85.5Confident191 Ų19170 Ų7072%0.72135%0.35SS*.THydrogen-bonded Turntrans-90.6-9.3173-64.7176.3-172.6155.24.5113H942 L943H942-R945 PolarHBondContact O-N 3.42Å; H942-R945 VanDerWaalsContact O-N 3.1Å; L943-R945 PolarHBondContact O-N 2.85Å
946L87Confident85.6Confident50 Ų5070 Ų7026%0.26235%0.35SS..SBendtrans-103.5155.6-178.2-63.2173.5000110.4Q916 V917 Y920 L943 L948Q916-L946 HydrophobicContact CB-CD1 3.73Å; V917-L946 HydrophobicContact CG2-CB 4.05Å; V917-L946 HydrophobicContact CG2-CD1 4.26Å; Y920-L946 HydrophobicContact CD2-CD1 3.93Å; Y920-L946 HydrophobicContact CE2-CD1 4.38Å; L943-L946 PolarHBondContact O-N 3.17Å; L946-L948 PolarHBondContact O-N 2.99Å
947R85.4Confident85.5Confident242 Ų24274.1 Ų74.191%0.91337%0.372SS*.  trans-76.7111.4172-172.6-179.9179.8-170.50109.5
948L83.4Confident85.4Confident34 Ų3477.2 Ų77.218%0.17839%0.391CS..  trans-80.7143.1178.7-60.9172.8000110.9V917 L943 L946 V956V917-L948 HydrophobicContact CG1-CD2 3.63Å; V917-L948 HydrophobicContact CG2-CD2 4.3Å; L943-L948 HydrophobicContact CB-CD2 4.44Å; L943-L948 HydrophobicContact CD2-CD2 4.08Å; L946-L948 PolarHBondContact O-N 2.99Å; L948-V956 HydrophobicContact CD1-CB 4.02Å; L948-V956 HydrophobicContact CD1-CG1 3.79Å; L948-V956 HydrophobicContact CD1-CG2 4.39Å; L948-V956 HydrophobicContact CD2-CG1 4.45Å; L948-V956 HydrophobicContact CD2-CG2 4.19Å
949P83.7Confident85.5Confident63 Ų6375.6 Ų75.641%0.40938%0.382SS..  trans-69.3140.9165.4-16.129.6000111K951 L952 E953P949-K951 PolarHBondContact O-N 2.83Å; P949-L952 HydrophobicContact CG-CD1 4.29Å; P949-L952 PolarHBondContact O-N 3.42Å; P949-E953 PolarHBondContact O-N 3.47Å
950D79.9Confident85.5Confident137 Ų13776.8 Ų76.873%0.73339%0.39SS*.Hα-helixtrans-49.9-35.6-176.1-51.7-5.9000113.7L952D950-L952 VanDerWaalsContact C-N 3.33Å; D950-L952 PolarHBondContact O-N 2.81Å
951K77.8Confident85.4Confident195 Ų19581.7 Ų81.785%0.84842%0.415SS*.Hα-helixtrans-68.7-26.5178.6-66.1-173.9178.8-175.80114.3P949P949-K951 PolarHBondContact O-N 2.83Å
952L82.1Confident85.4Confident38 Ų3883.6 Ų83.620%0.19942%0.423CS..Hα-helixtrans-98.9-14.2-178.9-74.1172.6000112.4V917 Y921 P949 D950 T954 A955 V956V917-L952 HydrophobicContact CG1-CD1 4.19Å; Y921-L952 HydrophobicContact CD1-CD2 4.34Å; Y921-L952 HydrophobicContact CE1-CD2 4.14Å; P949-L952 HydrophobicContact CG-CD1 4.29Å; P949-L952 PolarHBondContact O-N 3.42Å; D950-L952 VanDerWaalsContact C-N 3.33Å; D950-L952 PolarHBondContact O-N 2.81Å; L952-T954 PolarHBondContact O-N 3.44Å; L952-A955 PolarHBondContact O-N 2.87Å; L952-V956 HydrophobicContact CB-CG2 4.45Å; L952-V956 WeakPolarHBondContact O-CB 3.5Å; L952-V956 VanDerWaalsContact O-CG2 3.25Å; L952-V956 WeakPolarHBondContact O-CG2 3.4Å; L952-V956 PolarHBondContact O-N 2.73Å
953E83.6Confident85.4Confident100 Ų10081.5 Ų81.547%0.46741%0.413SS..Hα-helixtrans-56.4-52.2-176.8-165.6171.7-16500111.3P949 A955 V956 D957P949-E953 PolarHBondContact O-N 3.47Å; E953-A955 PolarHBondContact O-N 3.11Å; E953-V956 PolarHBondContact O-N 3.5Å; E953-D957 WeakPolarHBondContact O-CB 3.47Å; E953-D957 VanDerWaalsContact O-CG 3.3Å; E953-D957 PolarHBondContact O-N 2.78Å
954T85.8Confident85.4Confident100 Ų10089.2 Ų89.261%0.61344%0.442SS*.Hα-helixtrans-61.5-39.117645.20000113.3L952 M958L952-T954 PolarHBondContact O-N 3.44Å; T954-M958 WeakPolarHBondContact O-CB 3.39Å; T954-M958 VanDerWaalsContact O-CG 3.24Å; T954-M958 WeakPolarHBondContact O-CG 3.31Å; T954-M958 PolarHBondContact O-N 2.87Å
955A85.2Confident85.5Confident31 Ų3194 Ų9426%0.25645%0.449SS..Hα-helixtrans-69.9-37.9179.200000112.3Y921 L952 E953 L959Y921-A955 HydrophobicContact CE2-CB 4.29Å; L952-A955 PolarHBondContact O-N 2.87Å; E953-A955 PolarHBondContact O-N 3.11Å; A955-L959 VanDerWaalsContact O-CB 3.31Å; A955-L959 WeakPolarHBondContact O-CB 3.41Å; A955-L959 PolarHBondContact O-N 3.41Å
956V86.9Confident85.6Confident2 Ų289.7 Ų89.71%0.01244%0.435CS..Hα-helixtrans-72.5-38.9177.5172.30000110.8Y921 L943 L948 L952 E953 L959 T960Y921-V956 HydrophobicContact CD2-CG2 3.7Å; Y921-V956 HydrophobicContact CE2-CG2 4.14Å; L943-V956 HydrophobicContact CB-CG1 4.13Å; L943-V956 HydrophobicContact CD1-CG1 4.08Å; L943-V956 HydrophobicContact CD1-CG2 4.36Å; L948-V956 HydrophobicContact CD1-CB 4.02Å; L948-V956 HydrophobicContact CD1-CG1 3.79Å; L948-V956 HydrophobicContact CD1-CG2 4.39Å; L948-V956 HydrophobicContact CD2-CG1 4.45Å; L948-V956 HydrophobicContact CD2-CG2 4.19Å; L952-V956 HydrophobicContact CB-CG2 4.45Å; L952-V956 WeakPolarHBondContact O-CB 3.5Å; L952-V956 VanDerWaalsContact O-CG2 3.25Å; L952-V956 WeakPolarHBondContact O-CG2 3.4Å; L952-V956 PolarHBondContact O-N 2.73Å; E953-V956 PolarHBondContact O-N 3.5Å; V956-L959 PolarHBondContact O-N 3.19Å; V956-T960 VanDerWaalsContact O-CB 3.32Å; V956-T960 WeakPolarHBondContact O-CB 3.21Å; V956-T960 PolarHBondContact O-N 3.47Å; V956-T960 PolarHBondContact O-OG1 3.19Å
957D87.2Confident85.5Confident86 Ų8691.2 Ų91.246%0.4645%0.449SS..Hα-helixtrans-62.6-46.4175-75.2-18.9000111.5E953 L959 T960 L961E953-D957 WeakPolarHBondContact O-CB 3.47Å; E953-D957 VanDerWaalsContact O-CG 3.3Å; E953-D957 PolarHBondContact O-N 2.78Å; D957-L959 PolarHBondContact O-N 3.15Å; D957-T960 PolarHBondContact O-N 3.2Å; D957-L961 WeakPolarHBondContact O-CG 3.47Å; D957-L961 PolarHBondContact O-N 3.01Å
958M87.7Confident85.5Confident120 Ų12085 Ų8559%0.59143%0.428SS*.Hα-helixtrans-60.9-44.7174.8-73-65-76.200111.7T954 T960 L961 M962T954-M958 WeakPolarHBondContact O-CB 3.39Å; T954-M958 VanDerWaalsContact O-CG 3.24Å; T954-M958 WeakPolarHBondContact O-CG 3.31Å; T954-M958 PolarHBondContact O-N 2.87Å; M958-T960 VanDerWaalsContact C-N 3.35Å; M958-T960 PolarHBondContact O-N 3.5Å; M958-L961 PolarHBondContact O-N 2.86Å; M958-M962 VanDerWaalsContact O-CG 3.28Å; M958-M962 WeakPolarHBondContact O-CG 3.33Å; M958-M962 PolarHBondContact O-N 3.28Å
959L88.6Confident85.4Confident13 Ų1390 Ų907%0.06845%0.45CS..Hα-helixtrans-61.4-43.2176.3-173.869.2000111.6Y921 A924 L928 A955 V956 D957 L961 M962 V963Y921-L959 HydrophobicContact CD2-CD2 4.11Å; Y921-L959 HydrophobicContact CE2-CD2 4.1Å; A924-L959 HydrophobicContact CB-CD2 3.49Å; A924-L959 VanDerWaalsContact CB-CD2 3.49Å; L928-L959 HydrophobicContact CB-CD1 4.4Å; L928-L959 HydrophobicContact CD2-CD1 3.57Å; A955-L959 VanDerWaalsContact O-CB 3.31Å; A955-L959 WeakPolarHBondContact O-CB 3.41Å; A955-L959 PolarHBondContact O-N 3.41Å; V956-L959 PolarHBondContact O-N 3.19Å; D957-L959 PolarHBondContact O-N 3.15Å; L959-L961 PolarHBondContact O-N 3.21Å; L959-M962 PolarHBondContact O-N 3.35Å; L959-V963 WeakPolarHBondContact O-CB 3.32Å; L959-V963 WeakPolarHBondContact O-CG2 3.33Å; L959-V963 PolarHBondContact O-N 3.4Å
960T88.2Confident85.3Confident26 Ų2687.9 Ų87.916%0.1644%0.436CS..Hα-helixtrans-64.4-40.7179.3-57.80000111.4C940 V956 D957 M958 R964C940-T960 HydrophobicContact CB-CG2 4.26Å; V956-T960 VanDerWaalsContact O-CB 3.32Å; V956-T960 WeakPolarHBondContact O-CB 3.21Å; V956-T960 PolarHBondContact O-N 3.47Å; V956-T960 PolarHBondContact O-OG1 3.19Å; D957-T960 PolarHBondContact O-N 3.2Å; M958-T960 VanDerWaalsContact C-N 3.35Å; M958-T960 PolarHBondContact O-N 3.5Å; T960-R964 WeakPolarHBondContact O-CB 3.37Å; T960-R964 WeakPolarHBondContact O-CG 3.28Å; T960-R964 PolarHBondContact O-N 3.25Å
961L87.8Confident85.3Confident108 Ų10883.6 Ų83.657%0.56542%0.415SS*.Hα-helixtrans-62.1-48.2172-74.5167.5000111.5D957 M958 L959 V963 R964 M965D957-L961 WeakPolarHBondContact O-CG 3.47Å; D957-L961 PolarHBondContact O-N 3.01Å; M958-L961 PolarHBondContact O-N 2.86Å; L959-L961 PolarHBondContact O-N 3.21Å; L961-V963 VanDerWaalsContact C-N 3.32Å; L961-V963 PolarHBondContact O-N 3.03Å; L961-R964 PolarHBondContact O-N 2.87Å; L961-M965 WeakPolarHBondContact O-CG 3.26Å; L961-M965 PolarHBondContact O-N 3.2Å
962M88Confident85Confident109 Ų10982.1 Ų82.154%0.53741%0.412SS..Hα-helixtrans-58.9-42.6179.5-74.2-179.575.100112.4L928 M958 L959 M965L928-M962 HydrophobicContact CD2-CB 4.41Å; L928-M962 HydrophobicContact CD2-CE 4.09Å; L928-M962 HydrophobicContact CD2-SD 4.5Å; M958-M962 VanDerWaalsContact O-CG 3.28Å; M958-M962 WeakPolarHBondContact O-CG 3.33Å; M958-M962 PolarHBondContact O-N 3.28Å; L959-M962 PolarHBondContact O-N 3.35Å; M962-M965 PolarHBondContact O-N 3.39Å
963V87.6Confident84.4Confident1 Ų189.5 Ų89.51%0.00645%0.445CS..Hα-helixtrans-73.1-31.5-179.71760000111.7L928 S936 R937 L959 L961 M965 K966L928-V963 HydrophobicContact CD1-CG2 3.95Å; S936-V963 WeakPolarHBondContact OG-CG2 3.4Å; R937-V963 HydrophobicContact CB-CG1 3.62Å; R937-V963 HydrophobicContact CG-CG1 4.23Å; R937-V963 PolarHBondContact NH2-O 2.89Å; L959-V963 WeakPolarHBondContact O-CB 3.32Å; L959-V963 WeakPolarHBondContact O-CG2 3.33Å; L959-V963 PolarHBondContact O-N 3.4Å; L961-V963 VanDerWaalsContact C-N 3.32Å; L961-V963 PolarHBondContact O-N 3.03Å; V963-M965 PolarHBondContact O-N 3.35Å; V963-K966 PolarHBondContact O-N 3.31Å; V963-K966 VanDerWaalsContact O-N 3.17Å
964R87.4Confident83.7Confident162 Ų16286.9 Ų86.961%0.61143%0.434SS*.Hα-helixtrans-63.6-27.6174.5-81.9-177.2179-174.72.7113.3R937 T960 L961 K966R937-R964 VanDerWaalsContact NH2-C 3.29Å; R937-R964 PolarHBondContact NH2-O 3.26Å; T960-R964 WeakPolarHBondContact O-CB 3.37Å; T960-R964 WeakPolarHBondContact O-CG 3.28Å; T960-R964 PolarHBondContact O-N 3.25Å; L961-R964 PolarHBondContact O-N 2.87Å; R964-K966 VanDerWaalsContact C-N 3.3Å; R964-K966 PolarHBondContact O-N 2.81Å
965M85.8Confident82.8Confident167 Ų16784.7 Ų84.782%0.82342%0.418SS*.THydrogen-bonded Turntrans-77.1-11.8176.2-61.5-64.8-74.500114L961 M962 V963L961-M965 WeakPolarHBondContact O-CG 3.26Å; L961-M965 PolarHBondContact O-N 3.2Å; M962-M965 PolarHBondContact O-N 3.39Å; V963-M965 PolarHBondContact O-N 3.35Å
966K88.9Confident81.8Confident99 Ų9985 Ų8543%0.4342%0.418SS..SBendtrans-96.4154.9-178.2-63.2-65.1-176.2177.40112.1F933 R937 V963 R964F933-K966 HydrophobicContact CB-CB 3.98Å; F933-K966 HydrophobicContact CD1-CB 3.78Å; F933-K966 HydrophobicContact CD1-CD 4.45Å; F933-K966 HydrophobicContact CD1-CG 3.82Å; F933-K966 HydrophobicContact CD2-CB 4.08Å; F933-K966 HydrophobicContact CE1-CB 4.3Å; F933-K966 HydrophobicContact CE1-CD 4.11Å; F933-K966 HydrophobicContact CE1-CG 3.93Å; F933-K966 HydrophobicContact CG-CB 3.66Å; F933-K966 HydrophobicContact CG-CG 4.21Å; F933-K966 HydrophobicContact CZ-CD 4.15Å; F933-K966 HydrophobicContact CZ-CG 4.4Å; R937-K966 PolarHBondContact NH2-O 3.04Å; V963-K966 PolarHBondContact O-N 3.31Å; V963-K966 VanDerWaalsContact O-N 3.17Å; R964-K966 VanDerWaalsContact C-N 3.3Å; R964-K966 PolarHBondContact O-N 2.81Å
967P85Confident80.6Confident83 Ų8388.5 Ų88.554%0.53944%0.439SS..  trans-63.6145.6176.826.3-34.1000111.4F933 Q969F933-P967 VanDerWaalsContact CB-O 3.29Å; F933-P967 WeakPolarHBondContact CB-O 3.49Å; F933-P967 HydrophobicContact CD2-CG 4.22Å; P967-Q969 PolarHBondContact O-N 3.37Å
968F85.8Confident79.3Confident111 Ų11185 Ų8549%0.48742%0.421SS..SBendtrans-82.262.2179.7-168.4-105000111.5K934 R937 I938K934-F968 HydrophobicContact CB-CD1 4.47Å; K934-F968 HydrophobicContact CB-CD2 4.06Å; K934-F968 HydrophobicContact CB-CE2 4.15Å; K934-F968 HydrophobicContact CB-CG 4.26Å; K934-F968 HydrophobicContact CB-CZ 4.39Å; K934-F968 HydrophobicContact CD-CD1 4.26Å; K934-F968 HydrophobicContact CD-CE1 3.93Å; K934-F968 HydrophobicContact CD-CZ 4.23Å; K934-F968 HydrophobicContact CG-CD1 4.24Å; K934-F968 HydrophobicContact CG-CD2 4.24Å; K934-F968 HydrophobicContact CG-CE1 3.86Å; K934-F968 HydrophobicContact CG-CE2 3.87Å; K934-F968 HydrophobicContact CG-CG 4.44Å; K934-F968 HydrophobicContact CG-CZ 3.68Å; R937-F968 HydrophobicContact CB-CD2 4.25Å; R937-F968 HydrophobicContact CB-CE2 4.11Å; R937-F968 HydrophobicContact CG-CE2 4.38Å; I938-F968 HydrophobicContact CG1-CZ 4.45Å
969Q80.2Confident78.1Confident138 Ų13883.8 Ų83.865%0.64541%0.411SS*.  trans-141.6142.9179.4-171.2170.43.500109.6P967P967-Q969 PolarHBondContact O-N 3.37Å
970D82.9Confident76.4Confident19 Ų1986.4 Ų86.410%0.10243%0.434CS..  trans-105.9147.2171.4-64.4-37.6000108.8A932 F933 K934 L935A932-D970 VanDerWaalsContact CA-OD1 3.23Å; A932-D970 WeakPolarHBondContact CA-OD1 3.46Å; F933-D970 PolarHBondContact N-OD1 2.84Å; K934-D970 WeakPolarHBondContact CA-OD1 3.42Å; K934-D970 WeakPolarHBondContact CB-OD1 3.4Å; K934-D970 WeakPolarHBondContact CB-OD2 3.23Å; K934-D970 WeakPolarHBondContact CG-OD2 3.37Å; K934-D970 PolarHBondContact N-OD1 3.49Å; L935-D970 PolarHBondContact N-OD1 3.37Å; L935-D970 PolarHBondContact N-OD2 2.95Å
971P78.5Confident74.9Confident47 Ų4788.5 Ų88.531%0.30545%0.449SS..  trans-66.8140.4174.828.3-34000110.9G931 E973 L974G931-P971 WeakPolarHBondContact O-CD 3.27Å; P971-E973 PolarHBondContact O-N 2.94Å; P971-L974 HydrophobicContact CG-CB 4.33Å; P971-L974 HydrophobicContact CG-CD1 3.55Å; P971-L974 HydrophobicContact CG-CG 3.87Å; P971-L974 PolarHBondContact O-N 2.79Å
972E71.5Confident73.6Confident165 Ų16588.3 Ų88.377%0.77146%0.456SS*.G310 helixtrans-62.9-29.2-177.1-69.8-172.9166.700112.8L974 L975E972-L974 PolarHBondContact O-N 3.28Å; E972-L975 WeakPolarHBondContact O-CB 3.37Å; E972-L975 PolarHBondContact O-N 3.09Å; E972-L975 VanDerWaalsContact O-N 3.07Å
973E70.3Confident72.2Confident192 Ų19289.4 Ų89.490%0.89746%0.462SS*.G310 helixtrans-61.1-26.7178.5-64.4172.8-17200113.4P971P971-E973 PolarHBondContact O-N 2.94Å
974L69Low71Confident45 Ų4591.5 Ų91.524%0.23648%0.484CS..G310 helixtrans-88.5-12.5179.1-64.7178.5000113F896 R900 L930 A932 P971 E972 P976 M987F896-L974 HydrophobicContact CE1-CD2 4.4Å; F896-L974 HydrophobicContact CZ-CD1 4.43Å; R900-L974 PolarHBondContact NH1-O 3.3Å; L930-L974 HydrophobicContact CB-CD1 4.24Å; A932-L974 HydrophobicContact CB-CD1 3.86Å; P971-L974 HydrophobicContact CG-CB 4.33Å; P971-L974 HydrophobicContact CG-CD1 3.55Å; P971-L974 HydrophobicContact CG-CG 3.87Å; P971-L974 PolarHBondContact O-N 2.79Å; E972-L974 PolarHBondContact O-N 3.28Å; L974-P976 VanDerWaalsContact O-CD 3.32Å; L974-P976 WeakPolarHBondContact O-CD 3.47Å; L974-M987 HydrophobicContact CB-CE 3.69Å; L974-M987 WeakPolarHBondContact O-CE 3.23Å
975L67Low69.7Low54 Ų5485.1 Ų85.128%0.28346%0.462SS..SBendtrans-76.6115.3-179.9-69.4171.6000110.3E972 V977 M987E972-L975 WeakPolarHBondContact O-CB 3.37Å; E972-L975 PolarHBondContact O-N 3.09Å; E972-L975 VanDerWaalsContact O-N 3.07Å; L975-V977 PolarHBondContact O-N 3.2Å; L975-M987 HydrophobicContact CD2-CG 3.77Å; L975-M987 HydrophobicContact CD2-SD 3.95Å
976P64.2Low68.7Low39 Ų3980.8 Ų80.825%0.25345%0.446SS..  trans-66.3127.3175.523.4-26.6000110.2L974 N985L974-P976 VanDerWaalsContact O-CD 3.32Å; L974-P976 WeakPolarHBondContact O-CD 3.47Å; P976-N985 HydrophobicContact CG-CB 4.23Å; P976-N985 WeakPolarHBondContact O-CB 3.46Å; P976-N985 PolarHBondContact O-N 3.3Å
977V61.4Low67.6Low75 Ų7576.6 Ų76.646%0.45543%0.428SS..BIsolated β-bridgetrans-82.8130.7176.7-174.40000109.3L975 Y979L975-V977 PolarHBondContact O-N 3.2Å; V977-Y979 PolarHBondContact O-N 3.25Å
978C59.8Low66.7Low11 Ų1174 Ų747%0.07441%0.41CS..  trans-76.9111.3171.3-178.90000109.8A980 C981 S982 M983C978-A980 PolarHBondContact O-N 3.48Å; C978-A980 VanDerWaalsContact O-N 3.16Å; C978-C981 PolarHBondContact O-N 2.82Å; C978-C981 VanDerWaalsContact SG-SG 3.61Å; C978-S982 VanDerWaalsContact O-CA 3.32Å; C978-S982 WeakPolarHBondContact O-CA 3.22Å; C978-S982 PolarHBondContact O-N 2.9Å; C978-M983 WeakPolarHBondContact CB-O 3.49Å; C978-M983 PolarHBondContact N-O 3.32Å
979Y61.9Low65.6Low96 Ų9670.3 Ų70.338%0.37640%0.397SS..THydrogen-bonded Turntrans-59.7-25.4179.4-66.9-76.6000113.7V977 P998 L1071 L1072V977-Y979 PolarHBondContact O-N 3.25Å; Y979-P998 HydrophobicContact CD1-CB 4.14Å; Y979-P998 HydrophobicContact CD2-CB 4.04Å; Y979-P998 HydrophobicContact CE1-CB 4.44Å; Y979-P998 HydrophobicContact CE2-CB 4.33Å; Y979-P998 HydrophobicContact CG-CB 3.94Å; Y979-L1071 WeakPolarHBondContact O-CD1 3.32Å; Y979-L1072 HydrophobicContact CD1-CD1 3.87Å; Y979-L1072 HydrophobicContact CE1-CD1 3.37Å
980A53.7Low64.5Low68 Ų6871 Ų7156%0.56240%0.398SS*.THydrogen-bonded Turntrans-74.9-29179.300000114.3C978 V1000C978-A980 PolarHBondContact O-N 3.48Å; C978-A980 VanDerWaalsContact O-N 3.16Å; A980-V1000 HydrophobicContact CB-CG2 3.92Å
981C56.4Low63Low70 Ų7075.9 Ų75.947%0.47343%0.425SS..THydrogen-bonded Turntrans-129.91.9-176.564.30000114.8C978 M983C978-C981 PolarHBondContact O-N 2.82Å; C978-C981 VanDerWaalsContact SG-SG 3.61Å; C981-M983 PolarHBondContact O-N 3.46Å
982S61.3Low61.5Low103 Ų10374.1 Ų74.172%0.7241%0.414SS*.  trans52.816.9-176.2-53.30000115C978C978-S982 VanDerWaalsContact O-CA 3.32Å; C978-S982 WeakPolarHBondContact O-CA 3.22Å; C978-S982 PolarHBondContact O-N 2.9Å
983M58.6Low60.3Low133 Ų13368 Ų6866%0.65539%0.391SS*.PPolyproline II helixtrans-92.8140.5172.9-87.7171.449.300110.5C978 C981 N985C978-M983 WeakPolarHBondContact CB-O 3.49Å; C978-M983 PolarHBondContact N-O 3.32Å; C981-M983 PolarHBondContact O-N 3.46Å; M983-N985 PolarHBondContact O-N 2.87Å
984G61.1Low59.2Low45 Ų4567.1 Ų67.146%0.46439%0.387SS..BIsolated β-bridgetrans-64.9125.6170.300000111.2
985N61.3Low58.1Low27 Ų2767 Ų6714%0.14439%0.39CS..PPolyproline II helixtrans-74.8138.2176-82.1-20.8000110.3P976 M983 M987 A992P976-N985 HydrophobicContact CG-CB 4.23Å; P976-N985 WeakPolarHBondContact O-CB 3.46Å; P976-N985 PolarHBondContact O-N 3.3Å; M983-N985 PolarHBondContact O-N 2.87Å; N985-M987 PolarHBondContact O-N 2.99Å; N985-A992 HydrophobicContact CB-CB 3.84Å
986P64.7Low57.5Low77 Ų7769.9 Ų69.950%0.540%0.404SS..PPolyproline II helixtrans-58.2136.7169.3-17.127.9000110.9L988P986-L988 PolarHBondContact O-N 3.41Å; P986-L988 VanDerWaalsContact O-N 3.12Å
987M64.7Low57.5Low11 Ų1170.5 Ų70.55%0.05441%0.405CS..SBendtrans-55.6-30.7-175.5-66.2-64.8-97.400114.8F896 L935 L974 L975 N985F896-M987 HydrophobicContact CE1-CE 4.14Å; F896-M987 HydrophobicContact CZ-CE 3.61Å; L935-M987 HydrophobicContact CB-CB 4.41Å; L935-M987 HydrophobicContact CD1-CB 4.01Å; L935-M987 HydrophobicContact CD2-CB 4.19Å; L935-M987 HydrophobicContact CD2-CE 3.94Å; L935-M987 HydrophobicContact CG-CB 4.45Å; L974-M987 HydrophobicContact CB-CE 3.69Å; L974-M987 WeakPolarHBondContact O-CE 3.23Å; L975-M987 HydrophobicContact CD2-CG 3.77Å; L975-M987 HydrophobicContact CD2-SD 3.95Å; N985-M987 PolarHBondContact O-N 2.99Å
988L66.1Low57.7Low28 Ų2867 Ų6715%0.14738%0.384CS..SBendtrans-122.1109.2167.4-74164.8000107.7A903 N904 L935 I938 P986A903-L988 HydrophobicContact CB-CD2 4.12Å; N904-L988 WeakPolarHBondContact OD1-CA 3.12Å; N904-L988 WeakPolarHBondContact OD1-CD2 3.29Å; L935-L988 HydrophobicContact CD1-CD1 3.52Å; L935-L988 HydrophobicContact CD1-CD2 4.49Å; L935-L988 HydrophobicContact CD1-CG 3.62Å; I938-L988 HydrophobicContact CB-CD1 4.18Å; I938-L988 HydrophobicContact CG2-CD1 3.45Å; I938-L988 VanDerWaalsContact CG2-CD1 3.45Å; P986-L988 PolarHBondContact O-N 3.41Å; P986-L988 VanDerWaalsContact O-N 3.12Å
989S62.5Low58.2Low33 Ų3368.1 Ų68.123%0.23139%0.389CS..  trans-147.9137.8176.8150.10000108.9N904 N991 A992N904-S989 PolarHBondContact OD1-N 3.03Å; S989-N991 PolarHBondContact O-N 2.89Å; S989-N991 PolarHBondContact OG-N 3.24Å; S989-A992 VanDerWaalsContact CB-CB 3.48Å; S989-A992 PolarHBondContact O-N 2.95Å; S989-A992 VanDerWaalsContact O-N 3.16Å; S989-A992 PolarHBondContact OG-N 3.11Å
990K57.9Low58.7Low153 Ų15365.1 Ų65.167%0.66538%0.381SS*.THydrogen-bonded Turntrans-53.4-27.2178.1-71-175.4176-173.70113.1T908T908-K990 WeakPolarHBondContact CG2-O 3.36Å
991N50.5Low59.9Low122 Ų12266.6 Ų66.665%0.65238%0.376SS*.THydrogen-bonded Turntrans-113.8-5.2-176.5-64.25.5000113.5S989 A993S989-N991 PolarHBondContact O-N 2.89Å; S989-N991 PolarHBondContact OG-N 3.24Å; N991-A993 VanDerWaalsContact C-N 3.34Å; N991-A993 PolarHBondContact O-N 2.8Å
992A46.8Very low61Low9 Ų963.5 Ų63.57%0.07435%0.354CS..G310 helixtrans-73.6-22.6-171.500000114.2N985 S989 Q994N985-A992 HydrophobicContact CB-CB 3.84Å; S989-A992 VanDerWaalsContact CB-CB 3.48Å; S989-A992 PolarHBondContact O-N 2.95Å; S989-A992 VanDerWaalsContact O-N 3.16Å; S989-A992 PolarHBondContact OG-N 3.11Å; A992-Q994 PolarHBondContact O-N 2.95Å
993A47.4Very low61.9Low36 Ų3663.2 Ų63.230%0.29834%0.34SS..G310 helixtrans-70.3-9.2-176.100000114.2N904 N991N904-A993 HydrophobicContact CB-CB 4.15Å; N991-A993 VanDerWaalsContact C-N 3.34Å; N991-A993 PolarHBondContact O-N 2.8Å
994Q47.6Very low63Low175 Ų17558.4 Ų58.482%0.81832%0.317SS*.G310 helixtrans-88.5-10.1-173.2-76.2-179.5-2100115.2A992A992-Q994 PolarHBondContact O-N 2.95Å
995C45.9Very low63.9Low42 Ų4259.3 Ų59.328%0.28431%0.311SS..  trans-118.245.4-169.5-53.80000114.6
996I53.9Low64.7Low114 Ų11467.5 Ų67.559%0.58535%0.348SS*.SBendtrans-78.6-31.7177.9-59.9171.8000111.6
997L63.6Low65.4Low52 Ų5268.3 Ų68.327%0.27236%0.356SS..SBendtrans-98.7150179.5-61.2176.1000110.7L999 L1077 F1086L997-L999 HydrophobicContact CB-CD1 3.97Å; L997-L999 HydrophobicContact CB-CG 4.48Å; L997-L999 HydrophobicContact CD1-CD1 4.01Å; L997-L999 PolarHBondContact O-N 2.85Å; L997-L1077 HydrophobicContact CD1-CD2 4.42Å; L997-L1077 HydrophobicContact CD2-CD2 3.73Å; L997-F1086 HydrophobicContact CD1-CB 3.61Å
998P66.7Low65.9Low3 Ų369.2 Ų69.22%0.01936%0.361CS..SBendtrans-72.436.1177.131.2-36.2000113.4Y979 N1070 L1071 L1072 V1075 L1077Y979-P998 HydrophobicContact CD1-CB 4.14Å; Y979-P998 HydrophobicContact CD2-CB 4.04Å; Y979-P998 HydrophobicContact CE1-CB 4.44Å; Y979-P998 HydrophobicContact CE2-CB 4.33Å; Y979-P998 HydrophobicContact CG-CB 3.94Å; P998-N1070 WeakPolarHBondContact CG-OD1 3.5Å; P998-N1070 CarbonylContact O-C 3.53Å; P998-N1070 WeakPolarHBondContact O-CA 3.38Å; P998-N1070 PolarHBondContact O-OD1 2.97Å; P998-L1071 PolarHBondContact O-N 2.86Å; P998-L1072 HydrophobicContact CB-CB 3.96Å; P998-L1072 HydrophobicContact CB-CD1 4.18Å; P998-L1072 HydrophobicContact CB-CG 4.19Å; P998-L1072 HydrophobicContact CG-CB 4.06Å; P998-V1075 HydrophobicContact CG-CB 4.23Å; P998-V1075 HydrophobicContact CG-CG1 4.48Å; P998-V1075 HydrophobicContact CG-CG2 4.49Å; P998-L1077 HydrophobicContact CG-CD1 4.31Å
999L69.4Low66.7Low33 Ų3370.4 Ų70.417%0.17337%0.371CS..EExtended strand (participates in β ladder)trans-101.3127.2-177.4-79.3155.2000111L997 F1055 F1068 R1069 L1077 F1086L997-L999 HydrophobicContact CB-CD1 3.97Å; L997-L999 HydrophobicContact CB-CG 4.48Å; L997-L999 HydrophobicContact CD1-CD1 4.01Å; L997-L999 PolarHBondContact O-N 2.85Å; L999-F1055 HydrophobicContact CD2-CD2 3.73Å; L999-F1055 HydrophobicContact CD2-CE2 4.25Å; L999-F1068 HydrophobicContact CD2-CB 3.74Å; L999-R1069 WeakPolarHBondContact CA-O 3.44Å; L999-L1077 HydrophobicContact CD1-CD1 3.7Å; L999-L1077 HydrophobicContact CD2-CD1 4.37Å; L999-L1077 HydrophobicContact CG-CD1 3.8Å; L999-F1086 HydrophobicContact CD1-CB 3.63Å; L999-F1086 HydrophobicContact CD1-CD1 3.8Å; L999-F1086 HydrophobicContact CD1-CD2 3.76Å; L999-F1086 HydrophobicContact CD1-CE1 4.38Å; L999-F1086 HydrophobicContact CD1-CE2 4.34Å; L999-F1086 HydrophobicContact CD1-CG 3.44Å; L999-F1086 VanDerWaalsContact CD1-CG 3.44Å; L999-F1086 HydrophobicContact CD2-CE1 4.42Å
1000V73.5Confident67.3Low34 Ų3472.5 Ų72.521%0.20638%0.377CS..EExtended strand (participates in β ladder)trans-120.3125.6173.9179.20000110.1A980 F1068 R1069 L1071A980-V1000 HydrophobicContact CB-CG2 3.92Å; V1000-F1068 CarbonylContact O-C 3.53Å; V1000-F1068 WeakPolarHBondContact O-CA 3.31Å; V1000-R1069 PolarHBondContact N-O 2.86Å; V1000-R1069 PolarHBondContact O-N 3.5Å; V1000-L1071 HydrophobicContact CG2-CD1 3.52Å; V1000-L1071 HydrophobicContact CG2-CG 4.04Å
1001E78.1Confident68.4Low98 Ų9870.5 Ų70.546%0.45837%0.374SS..EExtended strand (participates in β ladder)trans-71.6132172.6-168.1-169.9150.100110.4F1067 F1068E1001-F1067 WeakPolarHBondContact CA-O 3.48Å; E1001-F1068 HydrophobicContact CB-CD1 3.88Å; E1001-F1068 HydrophobicContact CB-CE1 3.69Å; E1001-F1068 HydrophobicContact CB-CZ 4.49Å; E1001-F1068 HydrophobicContact CG-CD1 4.39Å; E1001-F1068 HydrophobicContact CG-CE1 4.02Å; E1001-F1068 HydrophobicContact CG-CZ 4.35Å
1002F79.7Confident69.9Low5 Ų567.9 Ų67.92%0.02236%0.36CS..EExtended strand (participates in β ladder)trans-127.2156.3171.867.5-98.1000110.9V1039 Y1041 L1046 L1049 V1054 F1067 R1069F1002-V1039 CarbonylContact C-O 3.58Å; F1002-V1039 WeakPolarHBondContact CA-O 3.35Å; F1002-V1039 HydrophobicContact CB-CB 4.08Å; F1002-V1039 HydrophobicContact CB-CG1 4.23Å; F1002-Y1041 HydrophobicContact CB-CD2 3.87Å; F1002-Y1041 HydrophobicContact CB-CE2 3.77Å; F1002-Y1041 AromaticContact CD1-CD2 3.99Å; F1002-Y1041 HydrophobicContact CD1-CD2 3.99Å; F1002-Y1041 AromaticContact CD1-CE2 3.65Å; F1002-Y1041 HydrophobicContact CD1-CE2 3.65Å; F1002-Y1041 AromaticContact CD2-CD2 3.18Å; F1002-Y1041 HydrophobicContact CD2-CD2 3.18Å; F1002-Y1041 AromaticContact CD2-CE2 3.75Å; F1002-Y1041 HydrophobicContact CD2-CE2 3.75Å; F1002-Y1041 HydrophobicContact CD2-CG 4.17Å; F1002-Y1041 HydrophobicContact CE1-CD2 4.26Å; F1002-Y1041 HydrophobicContact CE1-CE2 4.06Å; F1002-Y1041 AromaticContact CE2-CD2 3.51Å; F1002-Y1041 HydrophobicContact CE2-CD2 3.51Å; F1002-Y1041 HydrophobicContact CE2-CE2 4.14Å; F1002-Y1041 AromaticContact CG-CD2 3.41Å; F1002-Y1041 HydrophobicContact CG-CD2 3.41Å; F1002-Y1041 VanDerWaalsContact CG-CD2 3.41Å; F1002-Y1041 AromaticContact CG-CE2 3.44Å; F1002-Y1041 HydrophobicContact CG-CE2 3.44Å; F1002-Y1041 VanDerWaalsContact CG-CE2 3.44Å; F1002-Y1041 HydrophobicContact CZ-CD2 4.02Å; F1002-Y1041 HydrophobicContact CZ-CE2 4.26Å; F1002-L1046 HydrophobicContact CE2-CD2 4.01Å; F1002-L1049 HydrophobicContact CE1-CD1 4.44Å; F1002-L1049 HydrophobicContact CE2-CD1 4.48Å; F1002-L1049 HydrophobicContact CZ-CD1 3.96Å; F1002-V1054 HydrophobicContact CE1-CG1 4.08Å; F1002-V1054 HydrophobicContact CE1-CG2 4.47Å; F1002-V1054 HydrophobicContact CZ-CG1 3.82Å; F1002-V1054 HydrophobicContact CZ-CG2 4.42Å; F1002-F1067 HydrophobicContact CD1-CB 4.3Å; F1002-F1067 HydrophobicContact CD2-CB 3.89Å; F1002-F1067 HydrophobicContact CE1-CB 3.92Å; F1002-F1067 HydrophobicContact CE2-CB 3.47Å; F1002-F1067 VanDerWaalsContact CE2-CB 3.47Å; F1002-F1067 HydrophobicContact CE2-CD1 4.32Å; F1002-F1067 HydrophobicContact CE2-CG 4.06Å; F1002-F1067 HydrophobicContact CG-CB 4.31Å; F1002-F1067 HydrophobicContact CZ-CB 3.53Å; F1002-F1067 HydrophobicContact CZ-CD1 4.32Å; F1002-F1067 HydrophobicContact CZ-CG 4.28Å; F1002-F1067 PolarHBondContact N-O 2.88Å; F1002-R1069 HydrophobicContact CD1-CB 3.91Å; F1002-R1069 HydrophobicContact CE1-CB 3.89Å
1003K80.6Confident71.4Confident98 Ų9867.4 Ų67.443%0.42636%0.357SS..EExtended strand (participates in β ladder)trans-109.6146.9178.1-65.3-165.6175-156.80110.3K1038 V1039 I1040 Y1041K1003-K1038 HydrophobicContact CD-CD 4.43Å; K1003-V1039 PolarHBondContact N-O 2.58Å; K1003-I1040 CarbonylContact O-C 3.55Å; K1003-I1040 VanDerWaalsContact O-CA 3.22Å; K1003-I1040 WeakPolarHBondContact O-CA 3.2Å; K1003-Y1041 PolarHBondContact O-N 3.18Å
1004I80.8Confident72.8Confident31 Ų3166.4 Ų66.416%0.15935%0.346CS..EExtended strand (participates in β ladder)trans-82.8142.5172.9-63.6157000108.5L1008 A1013 L1046 F1067I1004-L1008 HydrophobicContact CG2-CB 3.74Å; I1004-L1008 HydrophobicContact CG2-CD1 4.38Å; I1004-A1013 HydrophobicContact CB-CB 4.45Å; I1004-A1013 HydrophobicContact CD1-CB 3.32Å; I1004-A1013 HydrophobicContact CG1-CB 3.87Å; I1004-A1013 HydrophobicContact CG2-CB 3.77Å; I1004-L1046 HydrophobicContact CG1-CD1 4.5Å; I1004-L1046 HydrophobicContact CG2-CD1 4.3Å; I1004-F1067 HydrophobicContact CD1-CD1 4.27Å; I1004-F1067 HydrophobicContact CD1-CD2 3.62Å; I1004-F1067 HydrophobicContact CD1-CE1 3.86Å; I1004-F1067 HydrophobicContact CD1-CE2 3.17Å; I1004-F1067 HydrophobicContact CD1-CG 4.19Å; I1004-F1067 HydrophobicContact CD1-CZ 3.3Å; I1004-F1067 HydrophobicContact CG1-CD2 4.22Å; I1004-F1067 HydrophobicContact CG1-CE2 4.23Å
1005D79.4Confident74.2Confident65 Ų6566.5 Ų66.535%0.34834%0.339SS..  trans-53.5137.3172.8-174.917.7000111.4S1007 L1008 I1040 Y1041D1005-S1007 VanDerWaalsContact CG-OG 3.3Å; D1005-S1007 PolarHBondContact O-N 3.25Å; D1005-S1007 PolarHBondContact OD2-OG 2.97Å; D1005-L1008 HydrophobicContact CB-CD1 4.38Å; D1005-L1008 PolarHBondContact O-N 3.11Å; D1005-I1040 HydrophobicContact CB-CG2 4.01Å; D1005-Y1041 PolarHBondContact N-O 2.88Å
1006E79.8Confident75.7Confident198 Ų19865.6 Ų65.693%0.92533%0.331SS*.THydrogen-bonded Turntrans-64.2-14.4-174.4-66.3-173167.900112.9L1008E1006-L1008 VanDerWaalsContact C-N 3.33Å
1007S77.9Confident76.7Confident94 Ų9460.5 Ų60.566%0.65731%0.305SS*.THydrogen-bonded Turntrans-72.7-21.5174.567.30000114D1005D1005-S1007 VanDerWaalsContact CG-OG 3.3Å; D1005-S1007 PolarHBondContact O-N 3.25Å; D1005-S1007 PolarHBondContact OD2-OG 2.97Å
1008L76.6Confident77.1Confident31 Ų3164 Ų6416%0.16232%0.318CS..SBendtrans-102.5136-174.9-77.5151000111.3I1004 D1005 E1006 D1012 L1016 E1043 L1046I1004-L1008 HydrophobicContact CG2-CB 3.74Å; I1004-L1008 HydrophobicContact CG2-CD1 4.38Å; D1005-L1008 HydrophobicContact CB-CD1 4.38Å; D1005-L1008 PolarHBondContact O-N 3.11Å; E1006-L1008 VanDerWaalsContact C-N 3.33Å; L1008-D1012 HydrophobicContact CD2-CB 4.39Å; L1008-L1016 HydrophobicContact CD2-CD1 3.67Å; L1008-E1043 HydrophobicContact CD1-CB 4.15Å; L1008-L1046 HydrophobicContact CD1-CD1 4.32Å
1009S82.3Confident77.3Confident52 Ų5266.2 Ų66.236%0.36433%0.333SS..  trans-74.2151.2172.186.30000110.9N1011 D1012 A1013S1009-N1011 PolarHBondContact O-N 3.34Å; S1009-D1012 WeakPolarHBondContact CB-OD2 3.29Å; S1009-D1012 PolarHBondContact O-N 2.85Å; S1009-D1012 WeakPolarHBondContact OG-CB 3.46Å; S1009-D1012 PolarHBondContact OG-N 2.94Å; S1009-D1012 PolarHBondContact OG-OD2 2.98Å; S1009-A1013 PolarHBondContact O-N 3.14Å
1010E75.6Confident76.7Confident77 Ų7772.3 Ų72.336%0.3637%0.366SS..Hα-helixtrans-55.4-39.3179.2-173.3179.315300111.9I1014 A1065 F1067E1010-I1014 HydrophobicContact CG-CD1 4.29Å; E1010-I1014 VanDerWaalsContact O-CG1 3.23Å; E1010-I1014 WeakPolarHBondContact O-CG1 3.35Å; E1010-I1014 PolarHBondContact O-N 3.24Å; E1010-I1014 VanDerWaalsContact O-N 3.07Å; E1010-A1065 WeakPolarHBondContact OE1-CB 3.45Å; E1010-F1067 HydrophobicContact CG-CZ 4.32Å
1011N79.9Confident75.5Confident112 Ų11273.4 Ų73.460%0.59938%0.375SS*.Hα-helixtrans-69.5-36.8176.9-70.3-31.1000112.5S1009 R1015S1009-N1011 PolarHBondContact O-N 3.34Å; N1011-R1015 WeakPolarHBondContact O-CG 3.27Å; N1011-R1015 PolarHBondContact O-N 3.42Å
1012D82.5Confident74.1Confident66 Ų6675.7 Ų75.735%0.35340%0.396SS..Hα-helixtrans-69.7-39.9177.6-63.1-36.3000110.8L1008 S1009 I1014 R1015 L1016L1008-D1012 HydrophobicContact CD2-CB 4.39Å; S1009-D1012 WeakPolarHBondContact CB-OD2 3.29Å; S1009-D1012 PolarHBondContact O-N 2.85Å; S1009-D1012 WeakPolarHBondContact OG-CB 3.46Å; S1009-D1012 PolarHBondContact OG-N 2.94Å; S1009-D1012 PolarHBondContact OG-OD2 2.98Å; D1012-I1014 PolarHBondContact O-N 3.11Å; D1012-R1015 WeakPolarHBondContact O-CB 3.5Å; D1012-R1015 PolarHBondContact O-N 3.33Å; D1012-R1015 IonicContact OD1-NH1 3.56Å; D1012-L1016 VanDerWaalsContact O-CG 3.29Å; D1012-L1016 WeakPolarHBondContact O-CG 3.41Å; D1012-L1016 PolarHBondContact O-N 2.83Å
1013A78Confident72.4Confident0 Ų080.9 Ų80.90%042%0.423CS..Hα-helixtrans-62.6-41.9174.400000112.8I1004 S1009 R1015 L1016 I1017 L1046I1004-A1013 HydrophobicContact CB-CB 4.45Å; I1004-A1013 HydrophobicContact CD1-CB 3.32Å; I1004-A1013 HydrophobicContact CG1-CB 3.87Å; I1004-A1013 HydrophobicContact CG2-CB 3.77Å; S1009-A1013 PolarHBondContact O-N 3.14Å; A1013-R1015 VanDerWaalsContact C-N 3.31Å; A1013-R1015 PolarHBondContact O-N 3.17Å; A1013-L1016 PolarHBondContact O-N 2.87Å; A1013-I1017 WeakPolarHBondContact O-CG1 3.26Å; A1013-I1017 PolarHBondContact O-N 2.79Å; A1013-L1046 HydrophobicContact CB-CD1 3.75Å
1014I76.9Confident70.7Confident15 Ų1584 Ų848%0.07744%0.443CS..Hα-helixtrans-63.2-39174.2-66.4169.2000110.8E1010 D1012 K1018 I1056 F1067E1010-I1014 HydrophobicContact CG-CD1 4.29Å; E1010-I1014 VanDerWaalsContact O-CG1 3.23Å; E1010-I1014 WeakPolarHBondContact O-CG1 3.35Å; E1010-I1014 PolarHBondContact O-N 3.24Å; E1010-I1014 VanDerWaalsContact O-N 3.07Å; D1012-I1014 PolarHBondContact O-N 3.11Å; I1014-K1018 HydrophobicContact CG2-CD 4.31Å; I1014-K1018 WeakPolarHBondContact O-CB 3.11Å; I1014-K1018 WeakPolarHBondContact O-CG 3.08Å; I1014-K1018 PolarHBondContact O-N 2.79Å; I1014-K1018 VanDerWaalsContact O-N 3.09Å; I1014-I1056 HydrophobicContact CG1-CD1 4.11Å; I1014-F1067 HydrophobicContact CG1-CE1 4.2Å; I1014-F1067 HydrophobicContact CG1-CZ 4.26Å
1015R77.1Confident68.9Low176 Ų17687.5 Ų87.566%0.66447%0.468SS*.Hα-helixtrans-63.9-40.8175-77175.7-177.6171.8-0.2112.2N1011 D1012 A1013 K1018 S1019N1011-R1015 WeakPolarHBondContact O-CG 3.27Å; N1011-R1015 PolarHBondContact O-N 3.42Å; D1012-R1015 WeakPolarHBondContact O-CB 3.5Å; D1012-R1015 PolarHBondContact O-N 3.33Å; D1012-R1015 IonicContact OD1-NH1 3.56Å; A1013-R1015 VanDerWaalsContact C-N 3.31Å; A1013-R1015 PolarHBondContact O-N 3.17Å; R1015-K1018 PolarHBondContact O-N 2.93Å; R1015-S1019 PolarHBondContact O-N 3.03Å
1016L77.7Confident67Low24 Ų2489.1 Ų89.113%0.12648%0.481CS..Hα-helixtrans-66.5-39.7178.9-71.2163.2000112.2L1008 D1012 A1013 K1018 S1019 E1043 L1046 L1047L1008-L1016 HydrophobicContact CD2-CD1 3.67Å; D1012-L1016 VanDerWaalsContact O-CG 3.29Å; D1012-L1016 WeakPolarHBondContact O-CG 3.41Å; D1012-L1016 PolarHBondContact O-N 2.83Å; A1013-L1016 PolarHBondContact O-N 2.87Å; L1016-K1018 VanDerWaalsContact C-N 3.34Å; L1016-S1019 PolarHBondContact O-N 3.13Å; L1016-S1019 PolarHBondContact O-OG 3.11Å; L1016-E1043 HydrophobicContact CD1-CB 4.27Å; L1016-E1043 HydrophobicContact CD1-CG 3.79Å; L1016-E1043 HydrophobicContact CD2-CG 3.85Å; L1016-E1043 HydrophobicContact CG-CG 4.49Å; L1016-L1046 HydrophobicContact CB-CB 4.1Å; L1016-L1046 HydrophobicContact CD1-CD1 4.31Å; L1016-L1047 HydrophobicContact CD2-CD1 4.28Å; L1016-L1047 HydrophobicContact CD2-CD2 4.13Å; L1016-L1047 HydrophobicContact CD2-CG 4.03Å
1017I74.8Confident65.1Low6 Ų685.5 Ų85.53%0.03147%0.474CS..Hα-helixtrans-66.7-37.9175-64.6160.3000111A1013 S1019 L1046 V1051 V1054 F1067A1013-I1017 WeakPolarHBondContact O-CG1 3.26Å; A1013-I1017 PolarHBondContact O-N 2.79Å; I1017-S1019 VanDerWaalsContact C-N 3.29Å; I1017-S1019 PolarHBondContact O-N 3.08Å; I1017-L1046 HydrophobicContact CD1-CD2 4.12Å; I1017-L1046 HydrophobicContact CG1-CB 4.4Å; I1017-L1046 HydrophobicContact CG1-CD2 4.03Å; I1017-V1051 VanDerWaalsContact O-CG2 3.26Å; I1017-V1051 WeakPolarHBondContact O-CG2 3.24Å; I1017-V1054 HydrophobicContact CD1-CG1 4.23Å; I1017-V1054 HydrophobicContact CG2-CB 4.32Å; I1017-V1054 HydrophobicContact CG2-CG2 4.4Å; I1017-F1067 HydrophobicContact CD1-CD1 4.13Å; I1017-F1067 HydrophobicContact CD1-CE1 4.12Å
1018K71Confident63.3Low127 Ų12786.5 Ų86.555%0.55247%0.47SS*.THydrogen-bonded Turntrans-77.7-9178.4-71.7-170.5176.8-159.80113.9I1014 R1015 L1016I1014-K1018 HydrophobicContact CG2-CD 4.31Å; I1014-K1018 WeakPolarHBondContact O-CB 3.11Å; I1014-K1018 WeakPolarHBondContact O-CG 3.08Å; I1014-K1018 PolarHBondContact O-N 2.79Å; I1014-K1018 VanDerWaalsContact O-N 3.09Å; R1015-K1018 PolarHBondContact O-N 2.93Å; L1016-K1018 VanDerWaalsContact C-N 3.34Å
1019S71.3Confident61.4Low48 Ų4889.9 Ų89.934%0.33649%0.494SS..SBendtrans-84.1125.5179.156.60000111.2R1015 L1016 I1017 S1021 L1047R1015-S1019 PolarHBondContact O-N 3.03Å; L1016-S1019 PolarHBondContact O-N 3.13Å; L1016-S1019 PolarHBondContact O-OG 3.11Å; I1017-S1019 VanDerWaalsContact C-N 3.29Å; I1017-S1019 PolarHBondContact O-N 3.08Å; S1019-S1021 PolarHBondContact O-N 3.08Å; S1019-S1021 VanDerWaalsContact O-N 3.15Å; S1019-L1047 WeakPolarHBondContact OG-CD2 3.26Å
1020D57.7Low59.1Low162 Ų16296.6 Ų96.687%0.86652%0.519SS*.  trans-56.7115.5178.7-78-27.3000111.1
1021S48.5Very low57.1Low57 Ų57100.4 Ų100.440%0.39954%0.535SS..  trans-87.5120.7-178.356.60000112.6S1019 I1023 L1047S1019-S1021 PolarHBondContact O-N 3.08Å; S1019-S1021 VanDerWaalsContact O-N 3.15Å; S1021-I1023 VanDerWaalsContact C-N 3.3Å; S1021-I1023 PolarHBondContact O-N 2.74Å; S1021-L1047 WeakPolarHBondContact CB-O 3.42Å; S1021-L1047 PolarHBondContact OG-O 3.3Å; S1021-L1047 VanDerWaalsContact OG-O 3.04Å
1022T47.5Very low54.8Low146 Ų146105.1 Ų105.190%0.89655%0.55SS*.  trans-88.216.117640.90000113.9
1023I44.2Very low52.5Low113 Ų113108.2 Ų108.258%0.57956%0.562SS**SBendtrans-112.4122.5-174.1-55.5175.1000109.7S1021S1021-I1023 VanDerWaalsContact C-N 3.3Å; S1021-I1023 PolarHBondContact O-N 2.74Å
1024L46.1Very low50.8Low163 Ų163118.9 Ų118.985%0.85361%0.608SS**PPolyproline II helixtrans-60.2132.3175.1-91.8135.2000110.7T1026L1024-T1026 PolarHBondContact O-N 3.11Å
1025P41.6Very low48.7Very low106 Ų106121.8 Ų121.869%0.68863%0.63SS**PPolyproline II helixtrans-66.4121.9-171.423.4-32.8000112.4
1026T39.1Very low47.1Very low99 Ų99119.8 Ų119.861%0.60764%0.64SS**PPolyproline II helixtrans-78.8128.5168.6-9.40000109.5L1024 M1028L1024-T1026 PolarHBondContact O-N 3.11Å; T1026-M1028 PolarHBondContact O-N 2.81Å
1027P40.7Very low45.5Very low121 Ų121123.1 Ų123.179%0.78666%0.661SS**PPolyproline II helixtrans-63.5123.2177-18.229.3000111.2
1028M40.6Very low44.4Very low115 Ų115129.8 Ų129.857%0.56769%0.69SS**PPolyproline II helixtrans-53.4132.4175.3-119-171.4-18000110.7T1026 Q1030 Y1041T1026-M1028 PolarHBondContact O-N 2.81Å; M1028-Q1030 PolarHBondContact O-N 2.87Å; M1028-Q1030 VanDerWaalsContact O-N 3.16Å; M1028-Y1041 HydrophobicContact CE-CE1 3.64Å
1029P35.8Very low44.2Very low102 Ų102126.1 Ų126.166%0.66268%0.678SS**PPolyproline II helixtrans-64.7120177.123.7-30.9000110.4K1031P1029-K1031 PolarHBondContact O-N 3.3Å
1030Q34.2Very low44.5Very low194 Ų194128.3 Ų128.391%0.90769%0.685SS**  trans-63.872.5171.2-67.8-178.6-800111.1M1028 K1032M1028-Q1030 PolarHBondContact O-N 2.87Å; M1028-Q1030 VanDerWaalsContact O-N 3.16Å; Q1030-K1032 PolarHBondContact O-N 3.03Å
1031K33.3Very low45.5Very low157 Ų157121.3 Ų121.368%0.68365%0.646SS**  trans-83.1109.8169.9-76-174.9178.5173.50109.2P1029 H1033P1029-K1031 PolarHBondContact O-N 3.3Å; K1031-H1033 PolarHBondContact O-CD2 2.96Å; K1031-H1033 PolarHBondContact O-N 3.49Å
1032K32.4Very low47Very low210 Ų210119.3 Ų119.391%0.91364%0.635SS**  trans-61.192.2173.5-67.6180177.4179.30110.8Q1030Q1030-K1032 PolarHBondContact O-N 3.03Å
1033H33.8Very low48.5Very low131 Ų131118 Ų11861%0.60662%0.619SS**  trans-105.3133.8173.1-73.4-72.9000111.4K1031 S1035 V1037K1031-H1033 PolarHBondContact O-CD2 2.96Å; K1031-H1033 PolarHBondContact O-N 3.49Å; H1033-S1035 VanDerWaalsContact C-N 3.34Å; H1033-S1035 PolarHBondContact O-N 2.96Å; H1033-V1037 HydrophobicContact CB-CG2 4.29Å
1034K42.5Very low49.8Very low224 Ų224116 Ų11697%0.97462%0.619SS**SBendtrans-85.514.7-170.7-78.7-174.6174.2-179.40115.5
1035S33.5Very low51.2Low77 Ų77112.1 Ų112.154%0.53860%0.596SS.*SBendtrans-148.7151.8177.5540000109.2H1033 V1037H1033-S1035 VanDerWaalsContact C-N 3.34Å; H1033-S1035 PolarHBondContact O-N 2.96Å; S1035-V1037 VanDerWaalsContact C-N 3.27Å; S1035-V1037 PolarHBondContact O-N 2.95Å
1036P42.7Very low53Low133 Ų133107.1 Ų107.186%0.86456%0.564SS**  trans-66.890.317728.8-32.9000108.4K1038P1036-K1038 PolarHBondContact O-N 2.88Å
1037V44.1Very low54.9Low94 Ų94104.9 Ų104.957%0.5755%0.548SS*.  trans-70.9123.1172.8179.80000105.6H1033 S1035 V1039H1033-V1037 HydrophobicContact CB-CG2 4.29Å; S1035-V1037 VanDerWaalsContact C-N 3.27Å; S1035-V1037 PolarHBondContact O-N 2.95Å; V1037-V1039 PolarHBondContact O-N 3.13Å
1038K52.7Low56.4Low147 Ų147102.9 Ų102.964%0.63953%0.528SS*.  trans-49.3111.4171-69.7172.5178.5172.20107.6K1003 P1036 I1040K1003-K1038 HydrophobicContact CD-CD 4.43Å; P1036-K1038 PolarHBondContact O-N 2.88Å; K1038-I1040 PolarHBondContact O-N 2.87Å
1039V66.4Low58Low50 Ų5097.6 Ų97.630%0.30350%0.502SS..EExtended strand (participates in β ladder)trans-71.6111.4173.8-177.60000105.8F1002 K1003 V1037 Y1041F1002-V1039 CarbonylContact C-O 3.58Å; F1002-V1039 WeakPolarHBondContact CA-O 3.35Å; F1002-V1039 HydrophobicContact CB-CB 4.08Å; F1002-V1039 HydrophobicContact CB-CG1 4.23Å; K1003-V1039 PolarHBondContact N-O 2.58Å; V1037-V1039 PolarHBondContact O-N 3.13Å; V1039-Y1041 HydrophobicContact CG1-CD1 4.09Å; V1039-Y1041 HydrophobicContact CG1-CE1 3.63Å; V1039-Y1041 HydrophobicContact CG1-CE2 4.17Å
1040I77.6Confident59.7Low94 Ų9495 Ų9548%0.48249%0.486SS..EExtended strand (participates in β ladder)trans-102.2120.7176.3-59.1173.7000106.3K1003 D1005 K1038K1003-I1040 CarbonylContact O-C 3.55Å; K1003-I1040 VanDerWaalsContact O-CA 3.22Å; K1003-I1040 WeakPolarHBondContact O-CA 3.2Å; D1005-I1040 HydrophobicContact CB-CG2 4.01Å; K1038-I1040 PolarHBondContact O-N 2.87Å
1041Y78.9Confident61.4Low15 Ų1589.4 Ų89.46%0.05947%0.465CS..EExtended strand (participates in β ladder)trans-99.4123.2174.5-70.3-42.9000110.9F1002 K1003 D1005 M1028 V1039 E1045 L1046 L1049 R1069F1002-Y1041 HydrophobicContact CB-CD2 3.87Å; F1002-Y1041 HydrophobicContact CB-CE2 3.77Å; F1002-Y1041 AromaticContact CD1-CD2 3.99Å; F1002-Y1041 HydrophobicContact CD1-CD2 3.99Å; F1002-Y1041 AromaticContact CD1-CE2 3.65Å; F1002-Y1041 HydrophobicContact CD1-CE2 3.65Å; F1002-Y1041 AromaticContact CD2-CD2 3.18Å; F1002-Y1041 HydrophobicContact CD2-CD2 3.18Å; F1002-Y1041 AromaticContact CD2-CE2 3.75Å; F1002-Y1041 HydrophobicContact CD2-CE2 3.75Å; F1002-Y1041 HydrophobicContact CD2-CG 4.17Å; F1002-Y1041 HydrophobicContact CE1-CD2 4.26Å; F1002-Y1041 HydrophobicContact CE1-CE2 4.06Å; F1002-Y1041 AromaticContact CE2-CD2 3.51Å; F1002-Y1041 HydrophobicContact CE2-CD2 3.51Å; F1002-Y1041 HydrophobicContact CE2-CE2 4.14Å; F1002-Y1041 AromaticContact CG-CD2 3.41Å; F1002-Y1041 HydrophobicContact CG-CD2 3.41Å; F1002-Y1041 VanDerWaalsContact CG-CD2 3.41Å; F1002-Y1041 AromaticContact CG-CE2 3.44Å; F1002-Y1041 HydrophobicContact CG-CE2 3.44Å; F1002-Y1041 VanDerWaalsContact CG-CE2 3.44Å; F1002-Y1041 HydrophobicContact CZ-CD2 4.02Å; F1002-Y1041 HydrophobicContact CZ-CE2 4.26Å; K1003-Y1041 PolarHBondContact O-N 3.18Å; D1005-Y1041 PolarHBondContact N-O 2.88Å; M1028-Y1041 HydrophobicContact CE-CE1 3.64Å; V1039-Y1041 HydrophobicContact CG1-CD1 4.09Å; V1039-Y1041 HydrophobicContact CG1-CE1 3.63Å; V1039-Y1041 HydrophobicContact CG1-CE2 4.17Å; Y1041-E1045 VanDerWaalsContact CA-OE2 3.25Å; Y1041-E1045 WeakPolarHBondContact CA-OE2 3.44Å; Y1041-E1045 HydrophobicContact CD1-CB 3.53Å; Y1041-E1045 HydrophobicContact CD1-CG 4.2Å; Y1041-E1045 HydrophobicContact CE1-CB 4.28Å; Y1041-E1045 HydrophobicContact CG-CB 4.09Å; Y1041-L1046 HydrophobicContact CD2-CD2 4.42Å; Y1041-L1049 HydrophobicContact CD2-CD1 3.88Å; Y1041-L1049 HydrophobicContact CE2-CD1 3.95Å; Y1041-L1049 HydrophobicContact CE2-CD2 4.45Å; Y1041-R1069 PolarHBondContact OH-NH1 2.8Å
1042G79.6Confident63Low15 Ų1588.3 Ų88.316%0.15547%0.467CS..  trans-87.4-176.8167.700000112.4A1044 E1045 L1046G1042-A1044 PolarHBondContact O-N 2.73Å; G1042-E1045 PolarHBondContact N-OE2 2.89Å; G1042-E1045 PolarHBondContact O-N 3.26Å; G1042-E1045 VanDerWaalsContact O-N 3.15Å; G1042-L1046 WeakPolarHBondContact O-CG 3.36Å; G1042-L1046 PolarHBondContact O-N 3.44Å
1043E78Confident65Low119 Ų11980.3 Ų80.356%0.55643%0.432SS*.Hα-helixtrans-55.8-44.2-173.6-176.4172.7-170.100113.5L1008 L1016 E1045 L1047L1008-E1043 HydrophobicContact CD1-CB 4.15Å; L1016-E1043 HydrophobicContact CD1-CB 4.27Å; L1016-E1043 HydrophobicContact CD1-CG 3.79Å; L1016-E1043 HydrophobicContact CD2-CG 3.85Å; L1016-E1043 HydrophobicContact CG-CG 4.49Å; E1043-E1045 PolarHBondContact O-N 3.46Å; E1043-L1047 HydrophobicContact CG-CD1 4.5Å; E1043-L1047 WeakPolarHBondContact O-CG 3.42Å; E1043-L1047 PolarHBondContact O-N 3.04Å
1044A72.8Confident67.2Low71 Ų7174.8 Ų74.859%0.58741%0.408SS*.Hα-helixtrans-65.9-36.5179.800000113G1042 E1048G1042-A1044 PolarHBondContact O-N 2.73Å; A1044-E1048 PolarHBondContact O-N 2.86Å
1045E76Confident68.9Low81 Ų8166.2 Ų66.238%0.37937%0.371SS..Hα-helixtrans-79.1-32.3-177.1-64.6154154.500111.3Y1041 G1042 E1043 L1047 E1048Y1041-E1045 VanDerWaalsContact CA-OE2 3.25Å; Y1041-E1045 WeakPolarHBondContact CA-OE2 3.44Å; Y1041-E1045 HydrophobicContact CD1-CB 3.53Å; Y1041-E1045 HydrophobicContact CD1-CG 4.2Å; Y1041-E1045 HydrophobicContact CE1-CB 4.28Å; Y1041-E1045 HydrophobicContact CG-CB 4.09Å; G1042-E1045 PolarHBondContact N-OE2 2.89Å; G1042-E1045 PolarHBondContact O-N 3.26Å; G1042-E1045 VanDerWaalsContact O-N 3.15Å; E1043-E1045 PolarHBondContact O-N 3.46Å; E1045-L1047 VanDerWaalsContact C-N 3.33Å; E1045-E1048 PolarHBondContact O-N 3.24Å
1046L79.1Confident71.2Confident0 Ų064.5 Ų64.50%036%0.355CS..Hα-helixtrans-67.5-33.6173.5-69.6176.2000112.4F1002 I1004 L1008 A1013 L1016 I1017 Y1041 G1042 E1048 L1049F1002-L1046 HydrophobicContact CE2-CD2 4.01Å; I1004-L1046 HydrophobicContact CG1-CD1 4.5Å; I1004-L1046 HydrophobicContact CG2-CD1 4.3Å; L1008-L1046 HydrophobicContact CD1-CD1 4.32Å; A1013-L1046 HydrophobicContact CB-CD1 3.75Å; L1016-L1046 HydrophobicContact CB-CB 4.1Å; L1016-L1046 HydrophobicContact CD1-CD1 4.31Å; I1017-L1046 HydrophobicContact CD1-CD2 4.12Å; I1017-L1046 HydrophobicContact CG1-CB 4.4Å; I1017-L1046 HydrophobicContact CG1-CD2 4.03Å; Y1041-L1046 HydrophobicContact CD2-CD2 4.42Å; G1042-L1046 WeakPolarHBondContact O-CG 3.36Å; G1042-L1046 PolarHBondContact O-N 3.44Å; L1046-E1048 VanDerWaalsContact C-N 3.32Å; L1046-L1049 HydrophobicContact CD2-CD1 4.03Å; L1046-L1049 PolarHBondContact O-N 3.35Å
1047L77.7Confident73Confident52 Ų5258.2 Ų58.227%0.27231%0.314SS..Hα-helixtrans-66.1-32.7172.7-77.6161.8000112.1L1016 S1019 S1021 E1043 E1045 L1049L1016-L1047 HydrophobicContact CD2-CD1 4.28Å; L1016-L1047 HydrophobicContact CD2-CD2 4.13Å; L1016-L1047 HydrophobicContact CD2-CG 4.03Å; S1019-L1047 WeakPolarHBondContact OG-CD2 3.26Å; S1021-L1047 WeakPolarHBondContact CB-O 3.42Å; S1021-L1047 PolarHBondContact OG-O 3.3Å; S1021-L1047 VanDerWaalsContact OG-O 3.04Å; E1043-L1047 HydrophobicContact CG-CD1 4.5Å; E1043-L1047 WeakPolarHBondContact O-CG 3.42Å; E1043-L1047 PolarHBondContact O-N 3.04Å; E1045-L1047 VanDerWaalsContact C-N 3.33Å; L1047-L1049 PolarHBondContact O-N 3.1Å
1048E72.4Confident74.5Confident79 Ų7960.8 Ų60.837%0.36931%0.314SS..THydrogen-bonded Turntrans-73.6-12.9178.8-71-176.4170.300113.7A1044 E1045 L1046A1044-E1048 PolarHBondContact O-N 2.86Å; E1045-E1048 PolarHBondContact O-N 3.24Å; L1046-E1048 VanDerWaalsContact C-N 3.32Å
1049L74.5Confident75.6Confident5 Ų558.9 Ų58.93%0.02630%0.303CS..SBendtrans-81.8130.2-177.2-67171.1000111.2F1002 Y1041 L1046 L1047 V1054 R1069F1002-L1049 HydrophobicContact CE1-CD1 4.44Å; F1002-L1049 HydrophobicContact CE2-CD1 4.48Å; F1002-L1049 HydrophobicContact CZ-CD1 3.96Å; Y1041-L1049 HydrophobicContact CD2-CD1 3.88Å; Y1041-L1049 HydrophobicContact CE2-CD1 3.95Å; Y1041-L1049 HydrophobicContact CE2-CD2 4.45Å; L1046-L1049 HydrophobicContact CD2-CD1 4.03Å; L1046-L1049 PolarHBondContact O-N 3.35Å; L1047-L1049 PolarHBondContact O-N 3.1Å; L1049-V1054 HydrophobicContact CB-CG2 3.88Å; L1049-V1054 HydrophobicContact CD1-CG2 3.92Å; L1049-V1054 HydrophobicContact CD2-CG2 4.37Å; L1049-V1054 HydrophobicContact CG-CG2 4.27Å; L1049-R1069 HydrophobicContact CD2-CG 4.37Å
1050S71.9Confident76Confident46 Ų4661 Ų6132%0.32232%0.318SS..  trans-74.3142.3168.775.90000110.4N1052 E1053S1050-N1052 PolarHBondContact O-N 2.8Å; S1050-N1052 VanDerWaalsContact O-N 3.17Å; S1050-E1053 WeakPolarHBondContact O-CB 3.34Å; S1050-E1053 PolarHBondContact O-N 3.43Å; S1050-E1053 WeakPolarHBondContact OG-CB 3.18Å; S1050-E1053 WeakPolarHBondContact OG-CG 2.84Å; S1050-E1053 PolarHBondContact OG-N 2.98Å; S1050-E1053 PolarHBondContact OG-OE1 3.16Å
1051V69.8Low75.6Confident77 Ų7762.4 Ų62.447%0.46733%0.333SS..G310 helixtrans-55.4-35.9179179.90000111.5I1017 E1053 V1054I1017-V1051 VanDerWaalsContact O-CG2 3.26Å; I1017-V1051 WeakPolarHBondContact O-CG2 3.24Å; V1051-E1053 VanDerWaalsContact C-N 3.28Å; V1051-E1053 PolarHBondContact O-N 3.1Å; V1051-V1054 PolarHBondContact O-N 3.39Å
1052N67.3Low75.2Confident135 Ų13567.8 Ų67.872%0.72237%0.37SS*.G310 helixtrans-73-18.1-178.9-63.5-17.4000113.6S1050S1050-N1052 PolarHBondContact O-N 2.8Å; S1050-N1052 VanDerWaalsContact O-N 3.17Å
1053E73.7Confident74.9Confident41 Ų4172.4 Ų72.419%0.19239%0.39CS..G310 helixtrans-84.4-14176.5-83.5167.8-124.600112.9S1050 V1051 R1069 N1070 P1073S1050-E1053 WeakPolarHBondContact O-CB 3.34Å; S1050-E1053 PolarHBondContact O-N 3.43Å; S1050-E1053 WeakPolarHBondContact OG-CB 3.18Å; S1050-E1053 WeakPolarHBondContact OG-CG 2.84Å; S1050-E1053 PolarHBondContact OG-N 2.98Å; S1050-E1053 PolarHBondContact OG-OE1 3.16Å; V1051-E1053 VanDerWaalsContact C-N 3.28Å; V1051-E1053 PolarHBondContact O-N 3.1Å; E1053-R1069 CarbonylContact O-C 3.58Å; E1053-R1069 WeakPolarHBondContact O-CA 3.32Å; E1053-R1069 IonicContact OE2-CZ 3.29Å; E1053-R1069 IonicContact OE2-NE 3.94Å; E1053-R1069 PolarHBondContact OE2-NE 2.71Å; E1053-R1069 IonicContact OE2-NH2 2.73Å; E1053-R1069 PolarHBondContact OE2-NH2 3.26Å; E1053-N1070 PolarHBondContact O-N 3.31Å; E1053-P1073 HydrophobicContact CG-CG 3.78Å
1054V79.5Confident74.8Confident15 Ų1575 Ų759%0.09140%0.399CS..EExtended strand (participates in β ladder)trans-116.5125.7-168.4-177.20000111.6F1002 I1017 L1049 V1051 I1056 F1068F1002-V1054 HydrophobicContact CE1-CG1 4.08Å; F1002-V1054 HydrophobicContact CE1-CG2 4.47Å; F1002-V1054 HydrophobicContact CZ-CG1 3.82Å; F1002-V1054 HydrophobicContact CZ-CG2 4.42Å; I1017-V1054 HydrophobicContact CD1-CG1 4.23Å; I1017-V1054 HydrophobicContact CG2-CB 4.32Å; I1017-V1054 HydrophobicContact CG2-CG2 4.4Å; L1049-V1054 HydrophobicContact CB-CG2 3.88Å; L1049-V1054 HydrophobicContact CD1-CG2 3.92Å; L1049-V1054 HydrophobicContact CD2-CG2 4.37Å; L1049-V1054 HydrophobicContact CG-CG2 4.27Å; V1051-V1054 PolarHBondContact O-N 3.39Å; V1054-I1056 HydrophobicContact CG1-CG1 4.31Å; V1054-F1068 CarbonylContact C-O 3.57Å; V1054-F1068 WeakPolarHBondContact CA-O 3.28Å
1055F78.9Confident75.2Confident44 Ų4472.2 Ų72.219%0.19338%0.377CS..EExtended strand (participates in β ladder)trans-105.4127.7171-67.4-82000110.8L999 F1068 N1070 L1077 F1086L999-F1055 HydrophobicContact CD2-CD2 3.73Å; L999-F1055 HydrophobicContact CD2-CE2 4.25Å; F1055-F1068 HydrophobicContact CB-CB 4.34Å; F1055-F1068 PolarHBondContact N-O 3.14Å; F1055-F1068 PolarHBondContact O-N 2.81Å; F1055-N1070 HydrophobicContact CE2-CB 4.19Å; F1055-L1077 HydrophobicContact CE2-CB 4.34Å; F1055-L1077 HydrophobicContact CZ-CB 4.12Å; F1055-F1086 HydrophobicContact CB-CE1 3.65Å; F1055-F1086 HydrophobicContact CB-CZ 3.74Å; F1055-F1086 AromaticContact CD1-CE1 3.78Å; F1055-F1086 HydrophobicContact CD1-CE1 3.78Å; F1055-F1086 HydrophobicContact CD2-CE1 4Å; F1055-F1086 HydrophobicContact CE1-CE1 4.4Å; F1055-F1086 AromaticContact CG-CE1 3.54Å; F1055-F1086 HydrophobicContact CG-CE1 3.54Å; F1055-F1086 HydrophobicContact CG-CZ 4.16Å
1056I81.7Confident75.4Confident42 Ų4270 Ų7022%0.21537%0.369CS..EExtended strand (participates in β ladder)trans-108110.8179.4-53.3169.4000108.4I1014 V1054 R1058 A1065 F1067I1014-I1056 HydrophobicContact CG1-CD1 4.11Å; V1054-I1056 HydrophobicContact CG1-CG1 4.31Å; I1056-R1058 HydrophobicContact CG2-CG 4.45Å; I1056-A1065 HydrophobicContact CG2-CB 4.26Å; I1056-F1067 HydrophobicContact CB-CE1 4.39Å; I1056-F1067 HydrophobicContact CD1-CD1 4.48Å; I1056-F1067 HydrophobicContact CD1-CE1 4.02Å; I1056-F1067 HydrophobicContact CG1-CD1 3.81Å; I1056-F1067 HydrophobicContact CG1-CE1 3.76Å; I1056-F1067 HydrophobicContact CG2-CD1 4.32Å; I1056-F1067 HydrophobicContact CG2-CE1 3.86Å; I1056-F1067 HydrophobicContact CG2-CZ 4.11Å
1057C79.9Confident75.7Confident1 Ų170.4 Ų70.41%0.00737%0.371CS..EExtended strand (participates in β ladder)trans-95.1109175.4-66.20000109.7A1065 T1066 F1068 R1079 N1084C1057-A1065 VanDerWaalsContact O-CA 3.3Å; C1057-A1065 WeakPolarHBondContact O-CA 3.27Å; C1057-T1066 WeakPolarHBondContact CB-OG1 3.29Å; C1057-T1066 PolarHBondContact N-O 3.25Å; C1057-T1066 PolarHBondContact O-N 3.09Å; C1057-F1068 HydrophobicContact CB-CE2 4.4Å; C1057-R1079 VanDerWaalsContact SG-CD 3.6Å; C1057-N1084 HydrophobicContact CB-CB 4.23Å
1058R76.6Confident75.9Confident147 Ų14769.9 Ų69.956%0.55537%0.366SS*.  trans-85.3133.9174.1-67.5-178.5177.6159.32.2109.9I1056 A1065 N1084I1056-R1058 HydrophobicContact CG2-CG 4.45Å; R1058-A1065 HydrophobicContact CG-CB 4.41Å; R1058-N1084 PolarHBondContact O-ND2 2.92Å; R1058-N1084 VanDerWaalsContact O-ND2 3.14Å
1059W75.4Confident76.3Confident107 Ų10768.9 Ų68.941%0.40536%0.359SS..  trans-113.7150.2176.7-63.798.4000109.3L1063 T1066 N1084W1059-L1063 HydrophobicContact CB-CB 3.53Å; W1059-L1063 HydrophobicContact CB-CD1 4.04Å; W1059-L1063 HydrophobicContact CB-CG 4.45Å; W1059-L1063 HydrophobicContact CG-CB 4.35Å; W1059-T1066 PolarHBondContact NE1-OG1 3.06Å; W1059-N1084 HydrophobicContact CH2-CB 3.96Å; W1059-N1084 HydrophobicContact CZ2-CB 3.99Å
1060P74.2Confident76.5Confident95 Ų9568.9 Ų68.962%0.61736%0.359SS*.SBendtrans-57.3140.7175.2-21.631.4000111.2L1063P1060-L1063 PolarHBondContact O-N 2.91Å
1061P69.6Low76.5Confident123 Ų12370.2 Ų70.280%0.79936%0.362SS*.THydrogen-bonded Turntrans-56.7138.2177.421.2-30.6000110.4
1062P70.6Confident76.5Confident129 Ų12969.6 Ų69.684%0.83836%0.356SS*.THydrogen-bonded Turncis-97.113.220.437.9-36.6000115.6
1063L73Confident76.6Confident111 Ų11166.5 Ų66.558%0.58134%0.343SS*.SBendtrans-75.9136-177-64.5172.5000111.3W1059 P1060W1059-L1063 HydrophobicContact CB-CB 3.53Å; W1059-L1063 HydrophobicContact CB-CD1 4.04Å; W1059-L1063 HydrophobicContact CB-CG 4.45Å; W1059-L1063 HydrophobicContact CG-CB 4.35Å; P1060-L1063 PolarHBondContact O-N 2.91Å
1064K77.2Confident76.4Confident173 Ų17373.1 Ų73.175%0.75237%0.374SS*.PPolyproline II helixtrans-75149.3176.2-63.5-172.3177.4-171.80110.7
1065A79.5Confident76.1Confident14 Ų1474.3 Ų74.312%0.11638%0.381CS..PPolyproline II helixtrans-62.9146171.600000111.8E1010 I1056 C1057 R1058 F1067E1010-A1065 WeakPolarHBondContact OE1-CB 3.45Å; I1056-A1065 HydrophobicContact CG2-CB 4.26Å; C1057-A1065 VanDerWaalsContact O-CA 3.3Å; C1057-A1065 WeakPolarHBondContact O-CA 3.27Å; R1058-A1065 HydrophobicContact CG-CB 4.41Å; A1065-F1067 HydrophobicContact CB-CE2 4.13Å; A1065-F1067 HydrophobicContact CB-CZ 4.41Å
1066T81.6Confident75.9Confident34 Ų3476.5 Ų76.521%0.20939%0.394CS..EExtended strand (participates in β ladder)trans-111.5133.9178.251.10000109.5C1057 W1059C1057-T1066 WeakPolarHBondContact CB-OG1 3.29Å; C1057-T1066 PolarHBondContact N-O 3.25Å; C1057-T1066 PolarHBondContact O-N 3.09Å; W1059-T1066 PolarHBondContact NE1-OG1 3.06Å
1067F83.9Confident75.8Confident8 Ų875.1 Ų75.14%0.03539%0.388CS..EExtended strand (participates in β ladder)trans-109132.2-174.2-63.3-101000110.5E1001 F1002 I1004 E1010 I1014 I1017 I1056 A1065E1001-F1067 WeakPolarHBondContact CA-O 3.48Å; F1002-F1067 HydrophobicContact CD1-CB 4.3Å; F1002-F1067 HydrophobicContact CD2-CB 3.89Å; F1002-F1067 HydrophobicContact CE1-CB 3.92Å; F1002-F1067 HydrophobicContact CE2-CB 3.47Å; F1002-F1067 VanDerWaalsContact CE2-CB 3.47Å; F1002-F1067 HydrophobicContact CE2-CD1 4.32Å; F1002-F1067 HydrophobicContact CE2-CG 4.06Å; F1002-F1067 HydrophobicContact CG-CB 4.31Å; F1002-F1067 HydrophobicContact CZ-CB 3.53Å; F1002-F1067 HydrophobicContact CZ-CD1 4.32Å; F1002-F1067 HydrophobicContact CZ-CG 4.28Å; F1002-F1067 PolarHBondContact N-O 2.88Å; I1004-F1067 HydrophobicContact CD1-CD1 4.27Å; I1004-F1067 HydrophobicContact CD1-CD2 3.62Å; I1004-F1067 HydrophobicContact CD1-CE1 3.86Å; I1004-F1067 HydrophobicContact CD1-CE2 3.17Å; I1004-F1067 HydrophobicContact CD1-CG 4.19Å; I1004-F1067 HydrophobicContact CD1-CZ 3.3Å; I1004-F1067 HydrophobicContact CG1-CD2 4.22Å; I1004-F1067 HydrophobicContact CG1-CE2 4.23Å; E1010-F1067 HydrophobicContact CG-CZ 4.32Å; I1014-F1067 HydrophobicContact CG1-CE1 4.2Å; I1014-F1067 HydrophobicContact CG1-CZ 4.26Å; I1017-F1067 HydrophobicContact CD1-CD1 4.13Å; I1017-F1067 HydrophobicContact CD1-CE1 4.12Å; I1056-F1067 HydrophobicContact CB-CE1 4.39Å; I1056-F1067 HydrophobicContact CD1-CD1 4.48Å; I1056-F1067 HydrophobicContact CD1-CE1 4.02Å; I1056-F1067 HydrophobicContact CG1-CD1 3.81Å; I1056-F1067 HydrophobicContact CG1-CE1 3.76Å; I1056-F1067 HydrophobicContact CG2-CD1 4.32Å; I1056-F1067 HydrophobicContact CG2-CE1 3.86Å; I1056-F1067 HydrophobicContact CG2-CZ 4.11Å; A1065-F1067 HydrophobicContact CB-CE2 4.13Å; A1065-F1067 HydrophobicContact CB-CZ 4.41Å
1068F82.3Confident75.7Confident42 Ų4275.8 Ų75.818%0.18439%0.392CS..EExtended strand (participates in β ladder)trans-122.7140176.7-62.8-88.5000110.3L999 V1000 E1001 V1054 F1055 C1057 F1086L999-F1068 HydrophobicContact CD2-CB 3.74Å; V1000-F1068 CarbonylContact O-C 3.53Å; V1000-F1068 WeakPolarHBondContact O-CA 3.31Å; E1001-F1068 HydrophobicContact CB-CD1 3.88Å; E1001-F1068 HydrophobicContact CB-CE1 3.69Å; E1001-F1068 HydrophobicContact CB-CZ 4.49Å; E1001-F1068 HydrophobicContact CG-CD1 4.39Å; E1001-F1068 HydrophobicContact CG-CE1 4.02Å; E1001-F1068 HydrophobicContact CG-CZ 4.35Å; V1054-F1068 CarbonylContact C-O 3.57Å; V1054-F1068 WeakPolarHBondContact CA-O 3.28Å; F1055-F1068 HydrophobicContact CB-CB 4.34Å; F1055-F1068 PolarHBondContact N-O 3.14Å; F1055-F1068 PolarHBondContact O-N 2.81Å; C1057-F1068 HydrophobicContact CB-CE2 4.4Å; F1068-F1086 AromaticContact CD2-CE2 3.97Å; F1068-F1086 HydrophobicContact CD2-CE2 3.97Å; F1068-F1086 HydrophobicContact CD2-CZ 4.02Å; F1068-F1086 HydrophobicContact CE2-CE2 4.15Å; F1068-F1086 HydrophobicContact CG-CE2 4.33Å; F1068-F1086 HydrophobicContact CG-CZ 4.43Å
1069R80.3Confident75.9Confident58 Ų5871.6 Ų71.622%0.21938%0.377CS..EExtended strand (participates in β ladder)trans-106.2129.2169.9-172.5179.5-178.4169.84.2109.9L999 V1000 F1002 Y1041 L1049 E1053L999-R1069 WeakPolarHBondContact CA-O 3.44Å; V1000-R1069 PolarHBondContact N-O 2.86Å; V1000-R1069 PolarHBondContact O-N 3.5Å; F1002-R1069 HydrophobicContact CD1-CB 3.91Å; F1002-R1069 HydrophobicContact CE1-CB 3.89Å; Y1041-R1069 PolarHBondContact OH-NH1 2.8Å; L1049-R1069 HydrophobicContact CD2-CG 4.37Å; E1053-R1069 CarbonylContact O-C 3.58Å; E1053-R1069 WeakPolarHBondContact O-CA 3.32Å; E1053-R1069 IonicContact OE2-CZ 3.29Å; E1053-R1069 IonicContact OE2-NE 3.94Å; E1053-R1069 PolarHBondContact OE2-NE 2.71Å; E1053-R1069 IonicContact OE2-NH2 2.73Å; E1053-R1069 PolarHBondContact OE2-NH2 3.26Å
1070N79Confident76Confident5 Ų566.5 Ų66.53%0.02736%0.357CS..EExtended strand (participates in β ladder)trans-79.5115.6165.8-174.12.8000109.3P998 E1053 F1055 L1072 V1075P998-N1070 WeakPolarHBondContact CG-OD1 3.5Å; P998-N1070 CarbonylContact O-C 3.53Å; P998-N1070 WeakPolarHBondContact O-CA 3.38Å; P998-N1070 PolarHBondContact O-OD1 2.97Å; E1053-N1070 PolarHBondContact O-N 3.31Å; F1055-N1070 HydrophobicContact CE2-CB 4.19Å; N1070-L1072 VanDerWaalsContact C-N 3.31Å; N1070-L1072 PolarHBondContact ND2-O 3.33Å; N1070-L1072 VanDerWaalsContact ND2-O 3.07Å; N1070-L1072 VanDerWaalsContact OD1-C 3.29Å; N1070-L1072 PolarHBondContact OD1-N 2.66Å; N1070-L1072 PolarHBondContact OD1-O 3.26Å; N1070-L1072 VanDerWaalsContact OD1-O 3.08Å; N1070-V1075 PolarHBondContact ND2-O 2.97Å
1071L71.6Confident76Confident73 Ų7364.7 Ų64.738%0.38235%0.345SS..SBendtrans-78.5-15.2177.9-64.4179.8000113.2Y979 P998 V1000Y979-L1071 WeakPolarHBondContact O-CD1 3.32Å; P998-L1071 PolarHBondContact O-N 2.86Å; V1000-L1071 HydrophobicContact CG2-CD1 3.52Å; V1000-L1071 HydrophobicContact CG2-CG 4.04Å
1072L71.9Confident76.3Confident65 Ų6561.9 Ų61.934%0.3433%0.326SS..  trans-129.686.2176.4-70.7174.5000109.6Y979 P998 N1070 E1074 V1075Y979-L1072 HydrophobicContact CD1-CD1 3.87Å; Y979-L1072 HydrophobicContact CE1-CD1 3.37Å; P998-L1072 HydrophobicContact CB-CB 3.96Å; P998-L1072 HydrophobicContact CB-CD1 4.18Å; P998-L1072 HydrophobicContact CB-CG 4.19Å; P998-L1072 HydrophobicContact CG-CB 4.06Å; N1070-L1072 VanDerWaalsContact C-N 3.31Å; N1070-L1072 PolarHBondContact ND2-O 3.33Å; N1070-L1072 VanDerWaalsContact ND2-O 3.07Å; N1070-L1072 VanDerWaalsContact OD1-C 3.29Å; N1070-L1072 PolarHBondContact OD1-N 2.66Å; N1070-L1072 PolarHBondContact OD1-O 3.26Å; N1070-L1072 VanDerWaalsContact OD1-O 3.08Å; L1072-E1074 PolarHBondContact O-N 2.66Å; L1072-V1075 HydrophobicContact CB-CG2 4.16Å; L1072-V1075 PolarHBondContact O-N 3.26Å
1073P68.2Low76.6Confident69 Ų6957.2 Ų57.245%0.44830%0.296SS..THydrogen-bonded Turntrans-59.4-19.8-179.3-20.731.5000113.9E1053 V1075E1053-P1073 HydrophobicContact CG-CG 3.78Å; P1073-V1075 VanDerWaalsContact C-N 3.28Å; P1073-V1075 PolarHBondContact O-N 2.57Å
1074E69.8Low77Confident181 Ų18152.7 Ų52.785%0.84627%0.272SS*.THydrogen-bonded Turntrans-65.8-29.2175-60.2-179.7-174.500112.8L1072 L1076L1072-E1074 PolarHBondContact O-N 2.66Å; E1074-L1076 PolarHBondContact O-N 2.69Å
1075V73Confident77.1Confident40 Ų4046 Ų4624%0.24225%0.247CC..SBendtrans-82.7108.5175.1-177.70000107.8P998 N1070 L1072 P1073 L1077P998-V1075 HydrophobicContact CG-CB 4.23Å; P998-V1075 HydrophobicContact CG-CG1 4.48Å; P998-V1075 HydrophobicContact CG-CG2 4.49Å; N1070-V1075 PolarHBondContact ND2-O 2.97Å; L1072-V1075 HydrophobicContact CB-CG2 4.16Å; L1072-V1075 PolarHBondContact O-N 3.26Å; P1073-V1075 VanDerWaalsContact C-N 3.28Å; P1073-V1075 PolarHBondContact O-N 2.57Å; V1075-L1077 HydrophobicContact CG1-CD2 3.9Å; V1075-L1077 HydrophobicContact CG1-CG 4.33Å; V1075-L1077 PolarHBondContact O-N 3.15Å
1076L74.7Confident77.1Confident89 Ų8946.9 Ų46.947%0.46625%0.248SC..  trans-73.5119.8179.5-62.2177000109.9E1074 T1089E1074-L1076 PolarHBondContact O-N 2.69Å; L1076-T1089 PolarHBondContact O-N 3.41Å; L1076-T1089 PolarHBondContact O-OG1 2.77Å
1077L80Confident76.9Confident14 Ų1447 Ų477%0.07325%0.246CC..EExtended strand (participates in β ladder)trans-118.3131.2-178.4-59.9176.2000110.3L997 P998 L999 F1055 V1075 F1087 T1089L997-L1077 HydrophobicContact CD1-CD2 4.42Å; L997-L1077 HydrophobicContact CD2-CD2 3.73Å; P998-L1077 HydrophobicContact CG-CD1 4.31Å; L999-L1077 HydrophobicContact CD1-CD1 3.7Å; L999-L1077 HydrophobicContact CD2-CD1 4.37Å; L999-L1077 HydrophobicContact CG-CD1 3.8Å; F1055-L1077 HydrophobicContact CE2-CB 4.34Å; F1055-L1077 HydrophobicContact CZ-CB 4.12Å; V1075-L1077 HydrophobicContact CG1-CD2 3.9Å; V1075-L1077 HydrophobicContact CG1-CG 4.33Å; V1075-L1077 PolarHBondContact O-N 3.15Å; L1077-F1087 CarbonylContact C-O 3.54Å; L1077-F1087 VanDerWaalsContact CA-O 3.31Å; L1077-F1087 WeakPolarHBondContact CA-O 3.49Å; L1077-T1089 VanDerWaalsContact C-OG1 3.27Å; L1077-T1089 PolarHBondContact N-OG1 3.08Å
1078S77.4Confident76.6Confident15 Ų1549.7 Ų49.711%0.10526%0.259CS..EExtended strand (participates in β ladder)trans-108.3133.3174.4-64.60000110.4F1086 F1087 T1089S1078-F1086 WeakPolarHBondContact O-CA 3.48Å; S1078-F1087 PolarHBondContact N-O 2.98Å; S1078-F1087 PolarHBondContact O-N 2.87Å; S1078-T1089 PolarHBondContact N-OG1 3.36Å; S1078-T1089 WeakPolarHBondContact OG-CA 3.24Å; S1078-T1089 VanDerWaalsContact OG-CB 3.32Å; S1078-T1089 WeakPolarHBondContact OG-CB 3.37Å; S1078-T1089 VanDerWaalsContact OG-CG2 3.27Å; S1078-T1089 WeakPolarHBondContact OG-CG2 3.19Å; S1078-T1089 PolarHBondContact OG-OG1 3.3Å
1079R81.2Confident76.3Confident59 Ų5948.6 Ų48.622%0.22326%0.256CS..EExtended strand (participates in β ladder)trans-96.7131.9175.3-179.1-176.963.396.62.1109.7C1057 N1084 F1086C1057-R1079 VanDerWaalsContact SG-CD 3.6Å; R1079-N1084 PolarHBondContact NH1-OD1 2.86Å; R1079-F1086 HydrophobicContact CB-CD1 4.01Å; R1079-F1086 HydrophobicContact CB-CE1 3.85Å; R1079-F1086 HydrophobicContact CG-CD1 4.45Å; R1079-F1086 HydrophobicContact CG-CE1 4.09Å; R1079-F1086 HydrophobicContact CG-CZ 4.38Å
1080C77.4Confident76.1Confident0 Ų052 Ų520%027%0.274CS..  trans-71124.4167.7177.10000110.1V1082 N1084 S1085 F1087 F1092 C1102C1080-V1082 PolarHBondContact O-N 3.38Å; C1080-N1084 WeakPolarHBondContact O-CA 3.47Å; C1080-N1084 PolarHBondContact O-N 3.26Å; C1080-S1085 PolarHBondContact N-O 2.82Å; C1080-F1087 HydrophobicContact CB-CE2 4.1Å; C1080-F1092 HydrophobicContact CB-CE2 4.33Å; C1080-F1092 HydrophobicContact CB-CZ 4.25Å; C1080-C1102 VanDerWaalsContact SG-SG 3.61Å
1081P73Confident75.9Confident56 Ų5656.5 Ų56.536%0.36430%0.298SS..THydrogen-bonded Turntrans-64.3-29.2-178.224.4-33.6000112.6L1109P1081-L1109 HydrophobicContact CG-CD2 3.55Å
1082V76.1Confident76.1Confident65 Ų6553.4 Ų53.439%0.39428%0.281SS..THydrogen-bonded Turntrans-79.7-53.3-177.6175.90000112.2C1080 Q1107 L1109C1080-V1082 PolarHBondContact O-N 3.38Å; V1082-Q1107 HydrophobicContact CG1-CB 4.23Å; V1082-Q1107 HydrophobicContact CG1-CG 4.02Å; V1082-Q1107 HydrophobicContact CG2-CB 4.35Å; V1082-L1109 HydrophobicContact CG2-CD2 4.39Å
1083C77.8Confident76.2Confident30 Ų3053.9 Ų53.920%0.20328%0.282CS..THydrogen-bonded Turntrans-105.31.6-169.8730000114.2S1085 C1105C1083-S1085 PolarHBondContact O-N 2.91Å; C1083-S1085 PolarHBondContact O-OG 2.76Å; C1083-S1085 VanDerWaalsContact SG-CB 3.59Å; C1083-S1085 PolarHBondContact SG-OG 3.36Å; C1083-C1105 HydrophobicContact CB-CB 3.63Å
1084N80.1Confident76.5Confident17 Ų1755.1 Ų55.19%0.09128%0.284CS..  trans54.221.7-179.1-72.7-35.7000114.5C1057 R1058 W1059 R1079 C1080C1057-N1084 HydrophobicContact CB-CB 4.23Å; R1058-N1084 PolarHBondContact O-ND2 2.92Å; R1058-N1084 VanDerWaalsContact O-ND2 3.14Å; W1059-N1084 HydrophobicContact CH2-CB 3.96Å; W1059-N1084 HydrophobicContact CZ2-CB 3.99Å; R1079-N1084 PolarHBondContact NH1-OD1 2.86Å; C1080-N1084 WeakPolarHBondContact O-CA 3.47Å; C1080-N1084 PolarHBondContact O-N 3.26Å
1085S80.3Confident76.6Confident32 Ų3249.2 Ų49.222%0.22426%0.258CS..  trans-86.8144.1175.7-55.80000110.7C1080 C1083 F1087 L1104C1080-S1085 PolarHBondContact N-O 2.82Å; C1083-S1085 PolarHBondContact O-N 2.91Å; C1083-S1085 PolarHBondContact O-OG 2.76Å; C1083-S1085 VanDerWaalsContact SG-CB 3.59Å; C1083-S1085 PolarHBondContact SG-OG 3.36Å; S1085-F1087 WeakPolarHBondContact O-CE2 3.35Å; S1085-L1104 VanDerWaalsContact OG-CD2 3.31Å; S1085-L1104 WeakPolarHBondContact OG-CD2 3.19Å
1086F80.3Confident76.6Confident32 Ų3247.9 Ų47.914%0.1425%0.25CC..EExtended strand (participates in β ladder)trans-101.5141.9-178.3-64.1-86.1000111.2L997 L999 F1055 F1068 S1078 R1079L997-F1086 HydrophobicContact CD1-CB 3.61Å; L999-F1086 HydrophobicContact CD1-CB 3.63Å; L999-F1086 HydrophobicContact CD1-CD1 3.8Å; L999-F1086 HydrophobicContact CD1-CD2 3.76Å; L999-F1086 HydrophobicContact CD1-CE1 4.38Å; L999-F1086 HydrophobicContact CD1-CE2 4.34Å; L999-F1086 HydrophobicContact CD1-CG 3.44Å; L999-F1086 VanDerWaalsContact CD1-CG 3.44Å; L999-F1086 HydrophobicContact CD2-CE1 4.42Å; F1055-F1086 HydrophobicContact CB-CE1 3.65Å; F1055-F1086 HydrophobicContact CB-CZ 3.74Å; F1055-F1086 AromaticContact CD1-CE1 3.78Å; F1055-F1086 HydrophobicContact CD1-CE1 3.78Å; F1055-F1086 HydrophobicContact CD2-CE1 4Å; F1055-F1086 HydrophobicContact CE1-CE1 4.4Å; F1055-F1086 AromaticContact CG-CE1 3.54Å; F1055-F1086 HydrophobicContact CG-CE1 3.54Å; F1055-F1086 HydrophobicContact CG-CZ 4.16Å; F1068-F1086 AromaticContact CD2-CE2 3.97Å; F1068-F1086 HydrophobicContact CD2-CE2 3.97Å; F1068-F1086 HydrophobicContact CD2-CZ 4.02Å; F1068-F1086 HydrophobicContact CE2-CE2 4.15Å; F1068-F1086 HydrophobicContact CG-CE2 4.33Å; F1068-F1086 HydrophobicContact CG-CZ 4.43Å; S1078-F1086 WeakPolarHBondContact O-CA 3.48Å; R1079-F1086 HydrophobicContact CB-CD1 4.01Å; R1079-F1086 HydrophobicContact CB-CE1 3.85Å; R1079-F1086 HydrophobicContact CG-CD1 4.45Å; R1079-F1086 HydrophobicContact CG-CE1 4.09Å; R1079-F1086 HydrophobicContact CG-CZ 4.38Å
1087F76.8Confident76.3Confident38 Ų3850 Ų5017%0.16726%0.261CS..EExtended strand (participates in β ladder)trans-137158.9179.6-56.8-84.3000109.8L1077 S1078 C1080 S1085 T1089 F1092 P1103 L1104L1077-F1087 CarbonylContact C-O 3.54Å; L1077-F1087 VanDerWaalsContact CA-O 3.31Å; L1077-F1087 WeakPolarHBondContact CA-O 3.49Å; S1078-F1087 PolarHBondContact N-O 2.98Å; S1078-F1087 PolarHBondContact O-N 2.87Å; C1080-F1087 HydrophobicContact CB-CE2 4.1Å; S1085-F1087 WeakPolarHBondContact O-CE2 3.35Å; F1087-T1089 PolarHBondContact O-N 2.82Å; F1087-F1092 HydrophobicContact CB-CB 3.7Å; F1087-F1092 HydrophobicContact CB-CD2 4.01Å; F1087-F1092 HydrophobicContact CB-CG 4.12Å; F1087-F1092 HydrophobicContact CD1-CD2 4.45Å; F1087-F1092 AromaticContact CD2-CD2 3.32Å; F1087-F1092 HydrophobicContact CD2-CD2 3.32Å; F1087-F1092 AromaticContact CD2-CE2 3.61Å; F1087-F1092 HydrophobicContact CD2-CE2 3.61Å; F1087-F1092 HydrophobicContact CD2-CG 4.11Å; F1087-F1092 AromaticContact CE2-CD2 3.87Å; F1087-F1092 HydrophobicContact CE2-CD2 3.87Å; F1087-F1092 AromaticContact CE2-CE2 3.77Å; F1087-F1092 HydrophobicContact CE2-CE2 3.77Å; F1087-F1092 HydrophobicContact CG-CB 4.29Å; F1087-F1092 AromaticContact CG-CD2 3.67Å; F1087-F1092 HydrophobicContact CG-CD2 3.67Å; F1087-F1092 HydrophobicContact CG-CE2 4.39Å; F1087-F1092 HydrophobicContact CG-CG 4.29Å; F1087-P1103 HydrophobicContact CD1-CG 3.98Å; F1087-P1103 HydrophobicContact CE1-CB 4.5Å; F1087-P1103 HydrophobicContact CE1-CG 3.6Å; F1087-P1103 HydrophobicContact CE2-CG 4.44Å; F1087-P1103 HydrophobicContact CZ-CG 3.86Å; F1087-L1104 HydrophobicContact CE1-CB 4.24Å; F1087-L1104 HydrophobicContact CZ-CB 3.74Å
1088H77.5Confident76Confident64 Ų6456.2 Ų56.230%0.29629%0.289SS..EExtended strand (participates in β ladder)trans-63.2132.2163.6-163-83.2000108.6E1090 D1091 F1092H1088-E1090 VanDerWaalsContact C-N 3.34Å; H1088-E1090 PolarHBondContact O-N 3.07Å; H1088-D1091 HydrophobicContact CB-CB 4.45Å; H1088-D1091 PolarHBondContact O-N 2.9Å; H1088-F1092 WeakPolarHBondContact O-CB 3.44Å; H1088-F1092 PolarHBondContact O-N 3.42Å
1089T75.6Confident75.9Confident19 Ų1960.4 Ų60.412%0.11731%0.308CS..Hα-helixtrans-57.2-46.1-170.7-64.30000112.3L1076 L1077 S1078 F1087 D1091 F1092 E1093L1076-T1089 PolarHBondContact O-N 3.41Å; L1076-T1089 PolarHBondContact O-OG1 2.77Å; L1077-T1089 VanDerWaalsContact C-OG1 3.27Å; L1077-T1089 PolarHBondContact N-OG1 3.08Å; S1078-T1089 PolarHBondContact N-OG1 3.36Å; S1078-T1089 WeakPolarHBondContact OG-CA 3.24Å; S1078-T1089 VanDerWaalsContact OG-CB 3.32Å; S1078-T1089 WeakPolarHBondContact OG-CB 3.37Å; S1078-T1089 VanDerWaalsContact OG-CG2 3.27Å; S1078-T1089 WeakPolarHBondContact OG-CG2 3.19Å; S1078-T1089 PolarHBondContact OG-OG1 3.3Å; F1087-T1089 PolarHBondContact O-N 2.82Å; T1089-D1091 PolarHBondContact O-N 2.84Å; T1089-F1092 PolarHBondContact O-N 2.89Å; T1089-E1093 HydrophobicContact CG2-CG 4.2Å; T1089-E1093 VanDerWaalsContact CG2-OE1 3.23Å; T1089-E1093 WeakPolarHBondContact CG2-OE1 3.5Å; T1089-E1093 WeakPolarHBondContact O-CB 3.45Å; T1089-E1093 VanDerWaalsContact O-CG 3.26Å; T1089-E1093 WeakPolarHBondContact O-CG 3.48Å; T1089-E1093 PolarHBondContact O-N 2.89Å
1090E75.7Confident75.6Confident129 Ų12959.4 Ų59.460%0.60332%0.315SS*.Hα-helixtrans-62.2-44.1-178.9-62.1179.6173.900113H1088 E1093 L1094H1088-E1090 VanDerWaalsContact C-N 3.34Å; H1088-E1090 PolarHBondContact O-N 3.07Å; E1090-E1093 PolarHBondContact O-N 2.81Å; E1090-L1094 WeakPolarHBondContact O-CB 3.05Å; E1090-L1094 PolarHBondContact O-N 2.74Å
1091D75Confident75.6Confident100 Ų10064 Ų6454%0.53533%0.332SS..Hα-helixtrans-66.7-41.2179.2-69.5-23.9000111.1H1088 T1089 I1095H1088-D1091 HydrophobicContact CB-CB 4.45Å; H1088-D1091 PolarHBondContact O-N 2.9Å; T1089-D1091 PolarHBondContact O-N 2.84Å; D1091-I1095 VanDerWaalsContact O-CG1 3.3Å; D1091-I1095 WeakPolarHBondContact O-CG1 3.42Å; D1091-I1095 PolarHBondContact O-N 2.87Å; D1091-I1095 VanDerWaalsContact O-N 3.14Å
1092F76.5Confident75.8Confident7 Ų761.3 Ų61.33%0.03132%0.315CS..Hα-helixtrans-64.8-47.6177.9-174.6-109.3000111C1080 F1087 H1088 T1089 L1094 I1095 V1096 P1103 L1109C1080-F1092 HydrophobicContact CB-CE2 4.33Å; C1080-F1092 HydrophobicContact CB-CZ 4.25Å; F1087-F1092 HydrophobicContact CB-CB 3.7Å; F1087-F1092 HydrophobicContact CB-CD2 4.01Å; F1087-F1092 HydrophobicContact CB-CG 4.12Å; F1087-F1092 HydrophobicContact CD1-CD2 4.45Å; F1087-F1092 AromaticContact CD2-CD2 3.32Å; F1087-F1092 HydrophobicContact CD2-CD2 3.32Å; F1087-F1092 AromaticContact CD2-CE2 3.61Å; F1087-F1092 HydrophobicContact CD2-CE2 3.61Å; F1087-F1092 HydrophobicContact CD2-CG 4.11Å; F1087-F1092 AromaticContact CE2-CD2 3.87Å; F1087-F1092 HydrophobicContact CE2-CD2 3.87Å; F1087-F1092 AromaticContact CE2-CE2 3.77Å; F1087-F1092 HydrophobicContact CE2-CE2 3.77Å; F1087-F1092 HydrophobicContact CG-CB 4.29Å; F1087-F1092 AromaticContact CG-CD2 3.67Å; F1087-F1092 HydrophobicContact CG-CD2 3.67Å; F1087-F1092 HydrophobicContact CG-CE2 4.39Å; F1087-F1092 HydrophobicContact CG-CG 4.29Å; H1088-F1092 WeakPolarHBondContact O-CB 3.44Å; H1088-F1092 PolarHBondContact O-N 3.42Å; T1089-F1092 PolarHBondContact O-N 2.89Å; F1092-L1094 PolarHBondContact O-N 3.32Å; F1092-I1095 PolarHBondContact O-N 2.78Å; F1092-V1096 HydrophobicContact CD1-CG2 4.23Å; F1092-V1096 HydrophobicContact CD2-CG2 4.25Å; F1092-V1096 HydrophobicContact CE1-CG2 4.04Å; F1092-V1096 HydrophobicContact CE2-CG2 4.06Å; F1092-V1096 HydrophobicContact CG-CG2 4.34Å; F1092-V1096 HydrophobicContact CZ-CG2 3.97Å; F1092-V1096 VanDerWaalsContact O-CB 3.32Å; F1092-V1096 WeakPolarHBondContact O-CB 3.38Å; F1092-V1096 WeakPolarHBondContact O-CG2 3.07Å; F1092-V1096 PolarHBondContact O-N 2.95Å; F1092-P1103 HydrophobicContact CD2-CG 4.05Å; F1092-P1103 HydrophobicContact CE2-CG 4.42Å; F1092-L1109 HydrophobicContact CE1-CD1 4.24Å; F1092-L1109 HydrophobicContact CE2-CD1 4.09Å; F1092-L1109 HydrophobicContact CZ-CD1 3.44Å; F1092-L1109 VanDerWaalsContact CZ-CD1 3.44Å
1093E74Confident75.7Confident75 Ų7560.5 Ų60.535%0.3531%0.311SS..Hα-helixtrans-62.1-44.3178.8-74.3176.4174.800111.7T1089 E1090 I1095 V1096 L1097T1089-E1093 HydrophobicContact CG2-CG 4.2Å; T1089-E1093 VanDerWaalsContact CG2-OE1 3.23Å; T1089-E1093 WeakPolarHBondContact CG2-OE1 3.5Å; T1089-E1093 WeakPolarHBondContact O-CB 3.45Å; T1089-E1093 VanDerWaalsContact O-CG 3.26Å; T1089-E1093 WeakPolarHBondContact O-CG 3.48Å; T1089-E1093 PolarHBondContact O-N 2.89Å; E1090-E1093 PolarHBondContact O-N 2.81Å; E1093-I1095 PolarHBondContact O-N 3.37Å; E1093-V1096 PolarHBondContact O-N 2.8Å; E1093-L1097 WeakPolarHBondContact O-CB 3.42Å; E1093-L1097 WeakPolarHBondContact O-CG 3.36Å; E1093-L1097 PolarHBondContact O-N 3.02Å
1094L75Confident75.5Confident96 Ų9664.4 Ų64.450%0.50333%0.33SS..Hα-helixtrans-60.6-45.1178.6-17471.1000111.9E1090 F1092 L1097 Q1098E1090-L1094 WeakPolarHBondContact O-CB 3.05Å; E1090-L1094 PolarHBondContact O-N 2.74Å; F1092-L1094 PolarHBondContact O-N 3.32Å; L1094-L1097 PolarHBondContact O-N 3Å; L1094-Q1098 WeakPolarHBondContact O-CG 3.26Å; L1094-Q1098 PolarHBondContact O-N 2.79Å
1095I71.4Confident75.3Confident57 Ų5765.7 Ų65.729%0.29234%0.339SS..Hα-helixtrans-71.3-40.2-179.4-65168.2000111D1091 F1092 E1093 L1097 Q1098 E1099 P1103D1091-I1095 VanDerWaalsContact O-CG1 3.3Å; D1091-I1095 WeakPolarHBondContact O-CG1 3.42Å; D1091-I1095 PolarHBondContact O-N 2.87Å; D1091-I1095 VanDerWaalsContact O-N 3.14Å; F1092-I1095 PolarHBondContact O-N 2.78Å; E1093-I1095 PolarHBondContact O-N 3.37Å; I1095-L1097 VanDerWaalsContact C-N 3.28Å; I1095-L1097 PolarHBondContact O-N 3Å; I1095-Q1098 PolarHBondContact O-N 2.92Å; I1095-E1099 PolarHBondContact O-N 2.9Å; I1095-P1103 HydrophobicContact CD1-CB 4.11Å; I1095-P1103 HydrophobicContact CD1-CG 4.49Å; I1095-P1103 HydrophobicContact CG2-CB 4.1Å
1096V72.7Confident75.2Confident11 Ų1172.8 Ų72.87%0.06736%0.361CS..Hα-helixtrans-63.7-36.7176.2172.70000110.6F1092 E1093 G1100 L1109 L1111F1092-V1096 HydrophobicContact CD1-CG2 4.23Å; F1092-V1096 HydrophobicContact CD2-CG2 4.25Å; F1092-V1096 HydrophobicContact CE1-CG2 4.04Å; F1092-V1096 HydrophobicContact CE2-CG2 4.06Å; F1092-V1096 HydrophobicContact CG-CG2 4.34Å; F1092-V1096 HydrophobicContact CZ-CG2 3.97Å; F1092-V1096 VanDerWaalsContact O-CB 3.32Å; F1092-V1096 WeakPolarHBondContact O-CB 3.38Å; F1092-V1096 WeakPolarHBondContact O-CG2 3.07Å; F1092-V1096 PolarHBondContact O-N 2.95Å; E1093-V1096 PolarHBondContact O-N 2.8Å; V1096-G1100 WeakPolarHBondContact O-CA 3.35Å; V1096-G1100 PolarHBondContact O-N 3.14Å; V1096-L1109 HydrophobicContact CG2-CD1 3.77Å; V1096-L1111 HydrophobicContact CG1-CD2 4.16Å
1097L68.8Low75Confident134 Ų13476 Ų7670%0.70238%0.377SS*.Hα-helixtrans-67.3-40.5173.4-76.1167.7000112.9E1093 L1094 I1095E1093-L1097 WeakPolarHBondContact O-CB 3.42Å; E1093-L1097 WeakPolarHBondContact O-CG 3.36Å; E1093-L1097 PolarHBondContact O-N 3.02Å; L1094-L1097 PolarHBondContact O-N 3Å; I1095-L1097 VanDerWaalsContact C-N 3.28Å; I1095-L1097 PolarHBondContact O-N 3Å
1098Q73Confident75Confident144 Ų14479.1 Ų79.167%0.67340%0.4SS*.Hα-helixtrans-73.8-42.2-178.7-75.8-179.6-1.500113.1L1094 I1095L1094-Q1098 WeakPolarHBondContact O-CG 3.26Å; L1094-Q1098 PolarHBondContact O-N 2.79Å; I1095-Q1098 PolarHBondContact O-N 2.92Å
1099E75.8Confident74.4Confident104 Ų10477 Ų7749%0.48639%0.391SS..Hα-helixtrans-114.8-9.2-170.5-58.1-158.5157.700114.5I1095 R1101I1095-E1099 PolarHBondContact O-N 2.9Å; E1099-R1101 VanDerWaalsContact C-N 3.25Å; E1099-R1101 HydrophobicContact CB-CG 3.86Å; E1099-R1101 VanDerWaalsContact CD-NH2 3.34Å; E1099-R1101 PolarHBondContact O-N 2.64Å; E1099-R1101 IonicContact OE1-NH2 2.65Å; E1099-R1101 IonicContact OE2-CZ 2.72Å; E1099-R1101 IonicContact OE2-NE 2.71Å; E1099-R1101 PolarHBondContact OE2-NE 3.36Å; E1099-R1101 IonicContact OE2-NH2 3.65Å; E1099-R1101 PolarHBondContact OE2-NH2 3.33Å
1100G74.7Confident73.7Confident37 Ų3780.8 Ų80.838%0.38141%0.411SS..SBendtrans69.715.2-179.400000114.9V1096 P1108 L1109V1096-G1100 WeakPolarHBondContact O-CA 3.35Å; V1096-G1100 PolarHBondContact O-N 3.14Å; G1100-P1108 WeakPolarHBondContact O-CA 3.27Å; G1100-L1109 PolarHBondContact O-N 3.47Å
1101R78.1Confident72.6Confident96 Ų9678.8 Ų78.836%0.36240%0.404SS..BIsolated β-bridgetrans-147156.8-17064.1-171.2179.6-162.6-6112.9E1099 Q1107E1099-R1101 VanDerWaalsContact C-N 3.25Å; E1099-R1101 HydrophobicContact CB-CG 3.86Å; E1099-R1101 VanDerWaalsContact CD-NH2 3.34Å; E1099-R1101 PolarHBondContact O-N 2.64Å; E1099-R1101 IonicContact OE1-NH2 2.65Å; E1099-R1101 IonicContact OE2-CZ 2.72Å; E1099-R1101 IonicContact OE2-NE 2.71Å; E1099-R1101 PolarHBondContact OE2-NE 3.36Å; E1099-R1101 IonicContact OE2-NH2 3.65Å; E1099-R1101 PolarHBondContact OE2-NH2 3.33Å; R1101-Q1107 WeakPolarHBondContact CA-O 3.48Å; R1101-Q1107 WeakPolarHBondContact CB-O 3.18Å
1102C76.1Confident71.4Confident1 Ų182 Ų821%0.00741%0.413CS..  trans-62.7133.9174.3177.20000111.2C1080 L1104 C1105 R1106 Q1107 L1109C1080-C1102 VanDerWaalsContact SG-SG 3.61Å; C1102-L1104 PolarHBondContact O-N 3.18Å; C1102-C1105 WeakPolarHBondContact CB-SG 3.4Å; C1102-R1106 WeakPolarHBondContact O-CA 3.22Å; C1102-R1106 PolarHBondContact O-N 3.32Å; C1102-Q1107 PolarHBondContact N-O 3.07Å; C1102-L1109 HydrophobicContact CB-CD1 3.86Å; C1102-L1109 HydrophobicContact CB-CG 4.42Å
1103P74.1Confident69.7Low47 Ų4786.8 Ų86.831%0.30544%0.439SS..THydrogen-bonded Turntrans-61.3-29.3179.220.1-31.4000114F1087 F1092 I1095F1087-P1103 HydrophobicContact CD1-CG 3.98Å; F1087-P1103 HydrophobicContact CE1-CB 4.5Å; F1087-P1103 HydrophobicContact CE1-CG 3.6Å; F1087-P1103 HydrophobicContact CE2-CG 4.44Å; F1087-P1103 HydrophobicContact CZ-CG 3.86Å; F1092-P1103 HydrophobicContact CD2-CG 4.05Å; F1092-P1103 HydrophobicContact CE2-CG 4.42Å; I1095-P1103 HydrophobicContact CD1-CB 4.11Å; I1095-P1103 HydrophobicContact CD1-CG 4.49Å; I1095-P1103 HydrophobicContact CG2-CB 4.1Å
1104L74.6Confident68.2Low113 Ų11390.3 Ų90.359%0.59246%0.46SS*.THydrogen-bonded Turntrans-95.5-61.2-176.7-162.886.9000112.4S1085 F1087 C1102 R1106S1085-L1104 VanDerWaalsContact OG-CD2 3.31Å; S1085-L1104 WeakPolarHBondContact OG-CD2 3.19Å; F1087-L1104 HydrophobicContact CE1-CB 4.24Å; F1087-L1104 HydrophobicContact CZ-CB 3.74Å; C1102-L1104 PolarHBondContact O-N 3.18Å; L1104-R1106 VanDerWaalsContact C-N 3.3Å; L1104-R1106 PolarHBondContact O-N 3.08Å
1105C74.7Confident66.4Low43 Ų4391.9 Ų91.929%0.29147%0.469SS..THydrogen-bonded Turntrans-81.7-9.4-176.672.10000113.8C1083 C1102 Q1107C1083-C1105 HydrophobicContact CB-CB 3.63Å; C1102-C1105 WeakPolarHBondContact CB-SG 3.4Å; C1105-Q1107 PolarHBondContact O-N 2.78Å
1106R79.3Confident64.8Low182 Ų18293.2 Ų93.269%0.68747%0.473SS*.  trans569.6-178.8-57.8-173.9-179-170.5-1115.3C1102 L1104C1102-R1106 WeakPolarHBondContact O-CA 3.22Å; C1102-R1106 PolarHBondContact O-N 3.32Å; L1104-R1106 VanDerWaalsContact C-N 3.3Å; L1104-R1106 PolarHBondContact O-N 3.08Å
1107Q76.6Confident63.2Low100 Ų10098.5 Ų98.547%0.46750%0.501SS..  trans-69.6136.8172.1-70-154-300109.2V1082 R1101 C1102 C1105 L1109V1082-Q1107 HydrophobicContact CG1-CB 4.23Å; V1082-Q1107 HydrophobicContact CG1-CG 4.02Å; V1082-Q1107 HydrophobicContact CG2-CB 4.35Å; R1101-Q1107 WeakPolarHBondContact CA-O 3.48Å; R1101-Q1107 WeakPolarHBondContact CB-O 3.18Å; C1102-Q1107 PolarHBondContact N-O 3.07Å; C1105-Q1107 PolarHBondContact O-N 2.78Å; Q1107-L1109 PolarHBondContact O-N 2.84Å
1108P75.7Confident61.5Low102 Ų10295.7 Ų95.766%0.66249%0.492SS*.BIsolated β-bridgetrans-59.7135.9171.527-32.6000108.5G1100G1100-P1108 WeakPolarHBondContact O-CA 3.27Å
1109L65.7Low59.9Low20 Ų2098.6 Ų98.611%0.10551%0.505CS..  trans-103.8114.8177.6-74.8161.1000107.1P1081 V1082 F1092 V1096 G1100 C1102 Q1107 L1111P1081-L1109 HydrophobicContact CG-CD2 3.55Å; V1082-L1109 HydrophobicContact CG2-CD2 4.39Å; F1092-L1109 HydrophobicContact CE1-CD1 4.24Å; F1092-L1109 HydrophobicContact CE2-CD1 4.09Å; F1092-L1109 HydrophobicContact CZ-CD1 3.44Å; F1092-L1109 VanDerWaalsContact CZ-CD1 3.44Å; V1096-L1109 HydrophobicContact CG2-CD1 3.77Å; G1100-L1109 PolarHBondContact O-N 3.47Å; C1102-L1109 HydrophobicContact CB-CD1 3.86Å; C1102-L1109 HydrophobicContact CB-CG 4.42Å; Q1107-L1109 PolarHBondContact O-N 2.84Å; L1109-L1111 PolarHBondContact O-N 3.25Å
1110D60.9Low58.2Low98 Ų9898.1 Ų98.152%0.52451%0.506SS..  trans-75110.5173.6-157.4-13.7000107.9K1112 D1113D1110-K1112 PolarHBondContact O-N 3.12Å; D1110-K1112 PolarHBondContact OD1-N 2.81Å; D1110-D1113 PolarHBondContact O-N 3.39Å
1111L52.3Low56.6Low87 Ų87102.2 Ų102.246%0.45551%0.511SS..THydrogen-bonded Turntrans-64.9-2.2179.1-68.2167.8000112.5V1096 L1109V1096-L1111 HydrophobicContact CG1-CD2 4.16Å; L1109-L1111 PolarHBondContact O-N 3.25Å
1112K50.5Low54.9Low167 Ų167105.3 Ų105.373%0.72653%0.529SS*.THydrogen-bonded Turntrans-97.7-9.7178.7-66.9-179.2178178.60114.5D1110 D1114D1110-K1112 PolarHBondContact O-N 3.12Å; D1110-K1112 PolarHBondContact OD1-N 2.81Å; K1112-D1114 PolarHBondContact O-N 2.91Å
1113D40.3Very low53.2Low108 Ų108108.3 Ų108.358%0.57855%0.548SS*.  trans-70.8119.9-178.3-93-25.5000111.1D1110 D1115 F1116D1110-D1113 PolarHBondContact O-N 3.39Å; D1113-D1115 PolarHBondContact O-N 2.97Å; D1113-F1116 PolarHBondContact O-N 2.98Å
1114D41.6Very low51.7Low150 Ų150110 Ų11080%0.80255%0.549SS*.THydrogen-bonded Turntrans-60.9-6.2179.5-71.8-37.9000114K1112 F1116K1112-D1114 PolarHBondContact O-N 2.91Å; D1114-F1116 PolarHBondContact O-N 3.2Å
1115D38Very low50.2Low129 Ų129108.4 Ų108.469%0.6954%0.54SS*.THydrogen-bonded Turntrans-79.45.5178.6-87.7-11.6000113.8D1113 D1117D1113-D1115 PolarHBondContact O-N 2.97Å; D1115-D1117 PolarHBondContact O-N 3.44Å
1116F37.5Very low48.6Very low85 Ų85112.1 Ų112.137%0.37356%0.555SS.*  trans-68.182.1158-97.1-90.6000108.7D1113 D1114 C1118D1113-F1116 PolarHBondContact O-N 2.98Å; D1114-F1116 PolarHBondContact O-N 3.2Å; F1116-C1118 PolarHBondContact O-N 2.83Å
1117D38.9Very low46.5Very low122 Ų122112.6 Ų112.665%0.65256%0.556SS**  trans-6070.3171.9-108.5-21.1000110.1D1115D1115-D1117 PolarHBondContact O-N 3.44Å
1118C33.1Very low44.8Very low75 Ų75113 Ų11351%0.50756%0.56SS.*  trans-144.4107.4168.8-54.20000105.4F1116 N1120 Y1121F1116-C1118 PolarHBondContact O-N 2.83Å; C1118-N1120 PolarHBondContact O-N 3.34Å; C1118-Y1121 PolarHBondContact O-N 3.12Å; C1118-Y1121 VanDerWaalsContact O-N 3.16Å
1119E39.9Very low43Very low204 Ų204113.3 Ų113.395%0.95356%0.561SS**THydrogen-bonded Turntrans-55.25.8168.7-69.2179151.100113.8
1120N39Very low41.4Very low94 Ų94123.1 Ų123.150%0.50360%0.603SS.*THydrogen-bonded Turntrans-92.820.2170.4-76.8-41.3000113.9C1118 E1122 T1123 Y1124C1118-N1120 PolarHBondContact O-N 3.34Å; N1120-E1122 PolarHBondContact O-N 2.81Å; N1120-T1123 WeakPolarHBondContact CA-OG1 3.31Å; N1120-T1123 WeakPolarHBondContact CB-OG1 3.27Å; N1120-T1123 CarbonylContact O-C 3.59Å; N1120-T1123 WeakPolarHBondContact O-CA 3.45Å; N1120-T1123 WeakPolarHBondContact O-CB 3.04Å; N1120-T1123 PolarHBondContact O-N 3.02Å; N1120-T1123 PolarHBondContact O-OG1 2.9Å; N1120-T1123 PolarHBondContact OD1-OG1 2.69Å; N1120-Y1124 WeakPolarHBondContact O-CB 2.77Å; N1120-Y1124 PolarHBondContact O-N 3.47Å
1121Y42.7Very low40.5Very low124 Ų124124.4 Ų124.449%0.48661%0.607SS.*Hα-helixtrans-57.1-37.9173.9-171.5-98.4000112.3C1118 T1123 Y1124 L1125C1118-Y1121 PolarHBondContact O-N 3.12Å; C1118-Y1121 VanDerWaalsContact O-N 3.16Å; Y1121-T1123 VanDerWaalsContact C-N 3.33Å; Y1121-T1123 PolarHBondContact O-N 2.9Å; Y1121-Y1124 WeakPolarHBondContact O-CB 3.37Å; Y1121-Y1124 PolarHBondContact O-N 2.55Å; Y1121-L1125 HydrophobicContact CD1-CD1 3.87Å; Y1121-L1125 HydrophobicContact CE1-CD1 3.29Å; Y1121-L1125 HydrophobicContact CE1-CG 4.19Å; Y1121-L1125 PolarHBondContact O-N 3.48Å
1122E41.6Very low39.9Very low160 Ų160126.3 Ų126.375%0.74862%0.615SS**Hα-helixtrans-65.7-36.7172.8-75.2-165.9153.800112.1N1120 M1126N1120-E1122 PolarHBondContact O-N 2.81Å; E1122-M1126 VanDerWaalsContact O-CB 3.29Å; E1122-M1126 WeakPolarHBondContact O-CB 3.49Å; E1122-M1126 WeakPolarHBondContact O-CG 3.46Å; E1122-M1126 PolarHBondContact O-N 3.26Å
1123T40.5Very low39.3Very low64 Ų64124.1 Ų124.139%0.39361%0.608SS.*Hα-helixtrans-70.5-34175.3-20.90000111.7N1120 Y1121 M1126 R1127N1120-T1123 WeakPolarHBondContact CA-OG1 3.31Å; N1120-T1123 WeakPolarHBondContact CB-OG1 3.27Å; N1120-T1123 CarbonylContact O-C 3.59Å; N1120-T1123 WeakPolarHBondContact O-CA 3.45Å; N1120-T1123 WeakPolarHBondContact O-CB 3.04Å; N1120-T1123 PolarHBondContact O-N 3.02Å; N1120-T1123 PolarHBondContact O-OG1 2.9Å; N1120-T1123 PolarHBondContact OD1-OG1 2.69Å; Y1121-T1123 VanDerWaalsContact C-N 3.33Å; Y1121-T1123 PolarHBondContact O-N 2.9Å; T1123-M1126 PolarHBondContact O-N 2.97Å; T1123-R1127 PolarHBondContact O-N 3.42Å
1124Y43.1Very low39.2Very low84 Ų84125 Ų12533%0.32961%0.61SS.*Hα-helixtrans-67.1-48.9177-178-103000110.8N1120 Y1121 M1126 R1127 I1128N1120-Y1124 WeakPolarHBondContact O-CB 2.77Å; N1120-Y1124 PolarHBondContact O-N 3.47Å; Y1121-Y1124 WeakPolarHBondContact O-CB 3.37Å; Y1121-Y1124 PolarHBondContact O-N 2.55Å; Y1124-M1126 PolarHBondContact O-N 3.38Å; Y1124-R1127 PolarHBondContact O-N 3Å; Y1124-I1128 HydrophobicContact CD1-CD1 3.97Å; Y1124-I1128 HydrophobicContact CD2-CD1 4.32Å; Y1124-I1128 HydrophobicContact CE1-CD1 3.53Å; Y1124-I1128 HydrophobicContact CE2-CD1 3.92Å; Y1124-I1128 HydrophobicContact CG-CD1 4.33Å; Y1124-I1128 VanDerWaalsContact CZ-CD1 3.5Å; Y1124-I1128 WeakPolarHBondContact O-CG1 3.3Å; Y1124-I1128 PolarHBondContact O-N 3.47Å; Y1124-I1128 VanDerWaalsContact O-N 3.13Å
1125L42.2Very low39.1Very low78 Ų78123.4 Ų123.441%0.40860%0.598SS.*Hα-helixtrans-63-39.9170.9-86.2166.3000111.8Y1121 R1127 I1128 T1129Y1121-L1125 HydrophobicContact CD1-CD1 3.87Å; Y1121-L1125 HydrophobicContact CE1-CD1 3.29Å; Y1121-L1125 HydrophobicContact CE1-CG 4.19Å; Y1121-L1125 PolarHBondContact O-N 3.48Å; L1125-R1127 VanDerWaalsContact C-N 3.32Å; L1125-R1127 PolarHBondContact O-N 2.96Å; L1125-I1128 PolarHBondContact O-N 2.7Å; L1125-T1129 WeakPolarHBondContact O-CB 3.45Å; L1125-T1129 WeakPolarHBondContact O-CG2 2.86Å; L1125-T1129 PolarHBondContact O-N 3.1Å; L1125-T1129 PolarHBondContact O-OG1 2.8Å
1126M40.9Very low39.1Very low122 Ų122123.1 Ų123.160%0.60159%0.592SS**Hα-helixtrans-68.4-24.2177.2-85-130.1-88.800114.6E1122 T1123 Y1124 K1130E1122-M1126 VanDerWaalsContact O-CB 3.29Å; E1122-M1126 WeakPolarHBondContact O-CB 3.49Å; E1122-M1126 WeakPolarHBondContact O-CG 3.46Å; E1122-M1126 PolarHBondContact O-N 3.26Å; T1123-M1126 PolarHBondContact O-N 2.97Å; Y1124-M1126 PolarHBondContact O-N 3.38Å; M1126-K1130 WeakPolarHBondContact O-CB 3.23Å; M1126-K1130 PolarHBondContact O-N 3.2Å
1127R36.1Very low39.2Very low191 Ų191125.8 Ų125.872%0.72161%0.608SS**Hα-helixtrans-81.2-31.7172.7-88.2-173.7177.6-1800113.2T1123 Y1124 L1125 K1130T1123-R1127 PolarHBondContact O-N 3.42Å; Y1124-R1127 PolarHBondContact O-N 3Å; L1125-R1127 VanDerWaalsContact C-N 3.32Å; L1125-R1127 PolarHBondContact O-N 2.96Å; R1127-K1130 VanDerWaalsContact O-OXT 3.05Å
1128I40.8Very low39.3Very low108 Ų108126.1 Ų126.155%0.55460%0.604SS**Hα-helixtrans-84.2-29.1179.6-66.2171.3000111.5Y1124 L1125Y1124-I1128 HydrophobicContact CD1-CD1 3.97Å; Y1124-I1128 HydrophobicContact CD2-CD1 4.32Å; Y1124-I1128 HydrophobicContact CE1-CD1 3.53Å; Y1124-I1128 HydrophobicContact CE2-CD1 3.92Å; Y1124-I1128 HydrophobicContact CG-CD1 4.33Å; Y1124-I1128 VanDerWaalsContact CZ-CD1 3.5Å; Y1124-I1128 WeakPolarHBondContact O-CG1 3.3Å; Y1124-I1128 PolarHBondContact O-N 3.47Å; Y1124-I1128 VanDerWaalsContact O-N 3.13Å; L1125-I1128 PolarHBondContact O-N 2.7Å
1129T38.7Very low39.8Very low110 Ų110130.3 Ų130.368%0.67561%0.612SS**  trans-84.7-12.1176.154.50000113.8L1125L1125-T1129 WeakPolarHBondContact O-CB 3.45Å; L1125-T1129 WeakPolarHBondContact O-CG2 2.86Å; L1125-T1129 PolarHBondContact O-N 3.1Å; L1125-T1129 PolarHBondContact O-OG1 2.8Å
1130K32Very low39.8Very low225 Ų225123.6 Ų123.698%0.97858%0.581SS**  trans-93.80166.9-90.6-176.9173.3176.30110.5M1126 R1127M1126-K1130 WeakPolarHBondContact O-CB 3.23Å; M1126-K1130 PolarHBondContact O-N 3.2Å; R1127-K1130 VanDerWaalsContact O-OXT 3.05Å

Retrieved 1,130 of 1,130 residues in 2526.6 ms (Link to these results)

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