A0A087YC87_POEFO Loading...

RNA binding motif protein 26

May be involved in the turnover of nuclear polyadenylated (pA+) RNA.

AlphaFold DB , UniProt , Accession A0A087YC87, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,010 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
1M62Low74.2Confident82 Ų8271.7 Ų71.740%0.40438%0.382SS..  0163.10-80.6170.6137.700110.1E42 F69 I72M1-E42 HydrophobicContact CE-CB 4.25Å; M1-E42 HydrophobicContact CE-CG 3.68Å; M1-E42 WeakPolarHBondContact CE-OE2 3.42Å; M1-F69 HydrophobicContact CE-CD1 4.06Å; M1-F69 HydrophobicContact CE-CE1 4.4Å; M1-F69 HydrophobicContact SD-CD1 3.78Å; M1-F69 HydrophobicContact SD-CE1 3.73Å; M1-I72 HydrophobicContact CB-CG2 4.5Å; M1-I72 HydrophobicContact SD-CG2 3.91Å
2L57.4Low75.3Confident160 Ų16070.1 Ų70.184%0.83837%0.367SS*.  trans-76.9134.4167.3-74.6162000109.3
3I72.1Confident76Confident27 Ų2764.7 Ų64.714%0.13834%0.339CS..  trans-127.9113.4175.4-55.3164.9000107.1L6 L9 V36 Y77I3-L6 HydrophobicContact CB-CD2 4.05Å; I3-L6 HydrophobicContact CD1-CD2 3.96Å; I3-L6 HydrophobicContact CG2-CD2 3.96Å; I3-L9 HydrophobicContact CD1-CD2 3.92Å; I3-L9 HydrophobicContact CG1-CD2 4.32Å; I3-L9 HydrophobicContact CG2-CB 4.29Å; I3-L9 HydrophobicContact CG2-CD2 3.73Å; I3-V36 HydrophobicContact CD1-CG1 3.92Å; I3-V36 HydrophobicContact CG1-CG1 4.47Å; I3-Y77 HydrophobicContact CG2-CE2 4.36Å
4D65.8Low76.6Confident84 Ų8462.7 Ų62.745%0.44933%0.333SS..SBendtrans-71.1-35.7-171.6-66.3-6.9000113.2K75 Y77D4-K75 IonicContact OD1-NZ 2.77Å; D4-K75 WeakPolarHBondContact OD2-CD 3.25Å; D4-K75 VanDerWaalsContact OD2-CE 3.32Å; D4-K75 WeakPolarHBondContact OD2-CE 3.29Å; D4-K75 IonicContact OD2-NZ 2.73Å; D4-K75 PolarHBondContact OD2-NZ 3.01Å; D4-Y77 PolarHBondContact N-OH 2.86Å
5N74.9Confident77Confident88 Ų8867.9 Ų67.947%0.47136%0.355SS..  trans-137.2106.3176.2-80.4-66.2000110.6D7 A8 L9 Y77 L78N5-D7 VanDerWaalsContact C-N 3.32Å; N5-D7 PolarHBondContact O-N 3.21Å; N5-A8 HydrophobicContact CB-CB 3.82Å; N5-L9 PolarHBondContact O-N 3.32Å; N5-L9 VanDerWaalsContact O-N 3.16Å; N5-Y77 HydrophobicContact CB-CE2 4.39Å; N5-Y77 WeakPolarHBondContact O-CE2 3.3Å; N5-L78 HydrophobicContact CB-CD2 3.72Å; N5-L78 WeakPolarHBondContact ND2-CD2 3.38Å
6L77.6Confident77.4Confident57 Ų5765.9 Ų65.930%0.29835%0.346SS..Hα-helixtrans-67.1-30.9-178.8-68.2171.7000113.4I3 K10 V33 K37I3-L6 HydrophobicContact CB-CD2 4.05Å; I3-L6 HydrophobicContact CD1-CD2 3.96Å; I3-L6 HydrophobicContact CG2-CD2 3.96Å; L6-K10 VanDerWaalsContact O-CG 3.27Å; L6-K10 WeakPolarHBondContact O-CG 3.35Å; L6-K10 PolarHBondContact O-N 3.35Å; L6-K10 VanDerWaalsContact O-N 3.15Å; L6-V33 HydrophobicContact CD2-CG1 4.16Å; L6-K37 VanDerWaalsContact CD1-NZ 3.28Å
7D77.4Confident77.7Confident107 Ų10762.1 Ų62.157%0.57233%0.326SS*.Hα-helixtrans-84.1-34.9-176.7-61.3-55.8000112.1N5 L9 K10 T11N5-D7 VanDerWaalsContact C-N 3.32Å; N5-D7 PolarHBondContact O-N 3.21Å; D7-L9 VanDerWaalsContact C-N 3.35Å; D7-K10 WeakPolarHBondContact O-CB 3.37Å; D7-K10 PolarHBondContact O-N 3.13Å; D7-K10 WeakPolarHBondContact OD1-CE 3.49Å; D7-K10 IonicContact OD1-NZ 2.67Å; D7-K10 PolarHBondContact OD1-NZ 3.44Å; D7-T11 PolarHBondContact O-N 3.42Å; D7-T11 PolarHBondContact O-OG1 3.43Å
8A79.8Confident77.9Confident20 Ų2066.6 Ų66.617%0.16535%0.345CS..Hα-helixtrans-63.8-39.6169.400000111.8N5 K10 T11 W12 Y77 L78N5-A8 HydrophobicContact CB-CB 3.82Å; A8-K10 VanDerWaalsContact C-N 3.34Å; A8-K10 PolarHBondContact O-N 3.09Å; A8-T11 WeakPolarHBondContact CA-OG1 3.47Å; A8-T11 PolarHBondContact O-N 2.8Å; A8-T11 PolarHBondContact O-OG1 2.63Å; A8-W12 WeakPolarHBondContact O-CB 3.48Å; A8-W12 PolarHBondContact O-N 2.83Å; A8-Y77 HydrophobicContact CB-CD2 4.17Å; A8-Y77 WeakPolarHBondContact CB-O 3.43Å; A8-L78 HydrophobicContact CB-CD2 4.3Å
9L81.1Confident77.9Confident1 Ų168.6 Ų68.61%0.00536%0.363CS..Hα-helixtrans-64.8-36.5172.3-175.263.8000112I3 N5 D7 W12 L13 V33 L68 I72 Y77I3-L9 HydrophobicContact CD1-CD2 3.92Å; I3-L9 HydrophobicContact CG1-CD2 4.32Å; I3-L9 HydrophobicContact CG2-CB 4.29Å; I3-L9 HydrophobicContact CG2-CD2 3.73Å; N5-L9 PolarHBondContact O-N 3.32Å; N5-L9 VanDerWaalsContact O-N 3.16Å; D7-L9 VanDerWaalsContact C-N 3.35Å; L9-W12 HydrophobicContact CD1-CE3 4.25Å; L9-L13 HydrophobicContact CD1-CD1 4.49Å; L9-L13 HydrophobicContact CD1-CG 4.44Å; L9-L13 HydrophobicContact CG-CD1 3.99Å; L9-L13 HydrophobicContact CG-CG 4.39Å; L9-L13 WeakPolarHBondContact O-CB 3.35Å; L9-L13 WeakPolarHBondContact O-CD1 3.42Å; L9-L13 WeakPolarHBondContact O-CG 3.49Å; L9-L13 PolarHBondContact O-N 3.37Å; L9-V33 HydrophobicContact CD2-CG2 4.28Å; L9-L68 HydrophobicContact CD1-CD1 4.21Å; L9-I72 HydrophobicContact CD1-CG1 4.25Å; L9-I72 HydrophobicContact CD2-CG1 4.41Å; L9-Y77 HydrophobicContact CB-CD2 3.83Å; L9-Y77 HydrophobicContact CB-CE2 4.19Å; L9-Y77 HydrophobicContact CB-CG 4.21Å; L9-Y77 HydrophobicContact CD1-CD1 4.01Å; L9-Y77 HydrophobicContact CD1-CD2 4.35Å; L9-Y77 HydrophobicContact CD1-CG 3.86Å
10K83.8Confident77.7Confident75 Ų7567.6 Ų67.633%0.32636%0.357SS..Hα-helixtrans-65.3-41.8174.8-74167-156.1165.20112.6L6 D7 A8 L13 S14 V33L6-K10 VanDerWaalsContact O-CG 3.27Å; L6-K10 WeakPolarHBondContact O-CG 3.35Å; L6-K10 PolarHBondContact O-N 3.35Å; L6-K10 VanDerWaalsContact O-N 3.15Å; D7-K10 WeakPolarHBondContact O-CB 3.37Å; D7-K10 PolarHBondContact O-N 3.13Å; D7-K10 WeakPolarHBondContact OD1-CE 3.49Å; D7-K10 IonicContact OD1-NZ 2.67Å; D7-K10 PolarHBondContact OD1-NZ 3.44Å; A8-K10 VanDerWaalsContact C-N 3.34Å; A8-K10 PolarHBondContact O-N 3.09Å; K10-L13 PolarHBondContact O-N 2.73Å; K10-S14 PolarHBondContact O-N 3.22Å; K10-S14 PolarHBondContact O-OG 3.13Å; K10-V33 HydrophobicContact CG-CG2 4.28Å
11T84.3Confident77.5Confident88 Ų8865 Ų6554%0.5435%0.345SS..Hα-helixtrans-67.6-43.4179.746.50000111.4D7 A8 L13 S14 E15D7-T11 PolarHBondContact O-N 3.42Å; D7-T11 PolarHBondContact O-OG1 3.43Å; A8-T11 WeakPolarHBondContact CA-OG1 3.47Å; A8-T11 PolarHBondContact O-N 2.8Å; A8-T11 PolarHBondContact O-OG1 2.63Å; T11-L13 VanDerWaalsContact C-N 3.32Å; T11-L13 PolarHBondContact O-N 2.83Å; T11-S14 WeakPolarHBondContact CA-OG 3.3Å; T11-S14 PolarHBondContact O-N 2.86Å; T11-S14 PolarHBondContact O-OG 3.32Å; T11-E15 WeakPolarHBondContact O-CB 3.37Å; T11-E15 PolarHBondContact O-N 3.4Å
12W86.8Confident77.9Confident52 Ų5270.1 Ų70.120%0.19737%0.373CS..Hα-helixtrans-60.9-40.7171.9-176.887.8000111.9A8 L9 E15 T16 L68 A71A8-W12 WeakPolarHBondContact O-CB 3.48Å; A8-W12 PolarHBondContact O-N 2.83Å; L9-W12 HydrophobicContact CD1-CE3 4.25Å; W12-E15 PolarHBondContact O-N 2.97Å; W12-T16 HydrophobicContact CD2-CG2 4.15Å; W12-T16 HydrophobicContact CE3-CG2 4.49Å; W12-T16 HydrophobicContact CH2-CG2 4.28Å; W12-T16 HydrophobicContact CZ2-CG2 3.92Å; W12-T16 WeakPolarHBondContact O-CB 3.33Å; W12-T16 WeakPolarHBondContact O-CG2 3.48Å; W12-T16 PolarHBondContact O-N 3.09Å; W12-T16 PolarHBondContact O-OG1 3.42Å; W12-L68 HydrophobicContact CZ3-CB 4.36Å; W12-L68 HydrophobicContact CZ3-CD1 3.94Å; W12-A71 HydrophobicContact CH2-CB 3.68Å; W12-A71 HydrophobicContact CZ2-CB 3.55Å; W12-A71 HydrophobicContact CZ3-CB 4.21Å
13L84.7Confident78.7Confident0 Ų064.4 Ų64.40%035%0.35CS..Hα-helixtrans-63.8-40.8174.3-81168.9000112.5L9 K10 T11 T16 L17 A29 V32 V33 F64 L68L9-L13 HydrophobicContact CD1-CD1 4.49Å; L9-L13 HydrophobicContact CD1-CG 4.44Å; L9-L13 HydrophobicContact CG-CD1 3.99Å; L9-L13 HydrophobicContact CG-CG 4.39Å; L9-L13 WeakPolarHBondContact O-CB 3.35Å; L9-L13 WeakPolarHBondContact O-CD1 3.42Å; L9-L13 WeakPolarHBondContact O-CG 3.49Å; L9-L13 PolarHBondContact O-N 3.37Å; K10-L13 PolarHBondContact O-N 2.73Å; T11-L13 VanDerWaalsContact C-N 3.32Å; T11-L13 PolarHBondContact O-N 2.83Å; L13-T16 PolarHBondContact O-OG1 2.89Å; L13-L17 HydrophobicContact CB-CD1 4.47Å; L13-L17 WeakPolarHBondContact O-CB 3.46Å; L13-L17 WeakPolarHBondContact O-CD1 3.19Å; L13-L17 WeakPolarHBondContact O-CG 3.43Å; L13-L17 PolarHBondContact O-N 2.86Å; L13-A29 HydrophobicContact CB-CB 3.63Å; L13-A29 HydrophobicContact CD1-CB 4.29Å; L13-V32 HydrophobicContact CD1-CB 4.17Å; L13-V32 HydrophobicContact CD1-CG1 3.95Å; L13-V32 HydrophobicContact CD2-CB 4.32Å; L13-V32 HydrophobicContact CD2-CG1 3.77Å; L13-V33 HydrophobicContact CD1-CG2 3.68Å; L13-F64 HydrophobicContact CD2-CE1 4.49Å; L13-F64 HydrophobicContact CD2-CE2 4.46Å; L13-F64 HydrophobicContact CD2-CZ 3.65Å; L13-L68 HydrophobicContact CD2-CD1 3.91Å
14S84.4Confident79.2Confident37 Ų3769 Ų6926%0.25937%0.374SS..Hα-helixtrans-66.2-45.6176.742.60000111.9K10 T11 T16 L17 E18K10-S14 PolarHBondContact O-N 3.22Å; K10-S14 PolarHBondContact O-OG 3.13Å; T11-S14 WeakPolarHBondContact CA-OG 3.3Å; T11-S14 PolarHBondContact O-N 2.86Å; T11-S14 PolarHBondContact O-OG 3.32Å; S14-T16 VanDerWaalsContact C-N 3.28Å; S14-T16 PolarHBondContact O-N 2.84Å; S14-L17 PolarHBondContact O-N 2.98Å; S14-E18 VanDerWaalsContact O-CB 3.25Å; S14-E18 WeakPolarHBondContact O-CB 3.36Å; S14-E18 PolarHBondContact O-N 2.76Å
15E83.3Confident79.9Confident141 Ų14166.7 Ų66.766%0.65936%0.364SS*.Hα-helixtrans-64.5-30.2179.5-172.9175.8-167.300112.8T11 W12 P19T11-E15 WeakPolarHBondContact O-CB 3.37Å; T11-E15 PolarHBondContact O-N 3.4Å; W12-E15 PolarHBondContact O-N 2.97Å; E15-P19 VanDerWaalsContact O-CD 3.28Å; E15-P19 WeakPolarHBondContact O-CD 3.24Å
16T82.7Confident80.2Confident36 Ų3666 Ų6622%0.22137%0.366CS..Hα-helixtrans-89.7-18.6176.253.10000114.6W12 L13 S14 I20W12-T16 HydrophobicContact CD2-CG2 4.15Å; W12-T16 HydrophobicContact CE3-CG2 4.49Å; W12-T16 HydrophobicContact CH2-CG2 4.28Å; W12-T16 HydrophobicContact CZ2-CG2 3.92Å; W12-T16 WeakPolarHBondContact O-CB 3.33Å; W12-T16 WeakPolarHBondContact O-CG2 3.48Å; W12-T16 PolarHBondContact O-N 3.09Å; W12-T16 PolarHBondContact O-OG1 3.42Å; L13-T16 PolarHBondContact O-OG1 2.89Å; S14-T16 VanDerWaalsContact C-N 3.28Å; S14-T16 PolarHBondContact O-N 2.84Å; T16-I20 VanDerWaalsContact O-CD1 3.26Å; T16-I20 WeakPolarHBondContact O-CD1 3.41Å; T16-I20 WeakPolarHBondContact O-CG1 3.48Å
17L82.1Confident80.6Confident1 Ų165.6 Ų65.61%0.00537%0.371CS..Hα-helixtrans-91.2-32.3175-73167.9000113.1L13 S14 I20 C21 P25 L28 L57 F64L13-L17 HydrophobicContact CB-CD1 4.47Å; L13-L17 WeakPolarHBondContact O-CB 3.46Å; L13-L17 WeakPolarHBondContact O-CD1 3.19Å; L13-L17 WeakPolarHBondContact O-CG 3.43Å; L13-L17 PolarHBondContact O-N 2.86Å; S14-L17 PolarHBondContact O-N 2.98Å; L17-I20 PolarHBondContact O-N 2.95Å; L17-C21 PolarHBondContact O-N 3.01Å; L17-P25 HydrophobicContact CB-CB 3.89Å; L17-L28 HydrophobicContact CD1-CB 3.86Å; L17-L57 HydrophobicContact CD2-CD1 3.92Å; L17-L57 HydrophobicContact CD2-CD2 3.76Å; L17-L57 HydrophobicContact CD2-CG 4.45Å; L17-F64 HydrophobicContact CD1-CZ 4.22Å; L17-F64 HydrophobicContact CD2-CD2 4.22Å; L17-F64 HydrophobicContact CD2-CE1 4.01Å; L17-F64 HydrophobicContact CD2-CE2 3.58Å; L17-F64 HydrophobicContact CD2-CZ 3.46Å; L17-F64 VanDerWaalsContact CD2-CZ 3.46Å; L17-F64 HydrophobicContact CG-CE2 3.81Å; L17-F64 HydrophobicContact CG-CZ 3.74Å
18E81.3Confident80.9Confident142 Ų14261 Ų6166%0.66435%0.347SS*.THydrogen-bonded Turntrans-51.4-42.1179.2178.3172.6-172.400114.5S14 P25S14-E18 VanDerWaalsContact O-CB 3.25Å; S14-E18 WeakPolarHBondContact O-CB 3.36Å; S14-E18 PolarHBondContact O-N 2.76Å; E18-P25 HydrophobicContact CB-CG 4.36Å
19P78.9Confident81.3Confident106 Ų10660.2 Ų60.269%0.68834%0.34SS*.THydrogen-bonded Turntrans-85.4-0.9175.832.7-34.6000114.8E15E15-P19 VanDerWaalsContact O-CD 3.28Å; E15-P19 WeakPolarHBondContact O-CD 3.24Å
20I74.3Confident81.5Confident47 Ų4766 Ų6624%0.24137%0.365CS..THydrogen-bonded Turntrans-115.5-22.5-173.2-54.5-175.2000112.3T16 L17 L57 E60 F64T16-I20 VanDerWaalsContact O-CD1 3.26Å; T16-I20 WeakPolarHBondContact O-CD1 3.41Å; T16-I20 WeakPolarHBondContact O-CG1 3.48Å; L17-I20 PolarHBondContact O-N 2.95Å; I20-L57 HydrophobicContact CG2-CD2 3.94Å; I20-E60 HydrophobicContact CG2-CB 3.69Å; I20-E60 HydrophobicContact CG2-CG 4.37Å; I20-F64 HydrophobicContact CD1-CD2 4.35Å
21C73.9Confident81.7Confident14 Ų1466.2 Ų66.210%0.09536%0.364CS..  trans-136.1126.6-172.5-158.60000113.6L17 A23 L28 F56 L57L17-C21 PolarHBondContact O-N 3.01Å; C21-A23 PolarHBondContact O-N 2.9Å; C21-L28 HydrophobicContact CB-CD1 4.1Å; C21-L28 WeakPolarHBondContact SG-CD1 3.26Å; C21-F56 PolarHBondContact SG-O 3.45Å; C21-L57 HydrophobicContact CB-CD2 3.64Å
22D69.7Low81.8Confident189 Ų18962 Ų62100%1.01134%0.339SS*.SBendtrans-683.1172.9-69.5-30.8000114.1
23A73.9Confident81.7Confident41 Ų4160 Ų6034%0.33933%0.332SS..SBendtrans-118.6137.9-176.200000112.2C21 P25 L28C21-A23 PolarHBondContact O-N 2.9Å; A23-P25 WeakPolarHBondContact O-CD 3.32Å; A23-L28 HydrophobicContact CB-CD1 4.36Å
24D82.4Confident81.7Confident123 Ų12362.5 Ų62.566%0.65835%0.352SS*.  trans-19.394.6-178.5-72.6-4.9000115.1S26 A27 L28D24-S26 PolarHBondContact O-N 3.12Å; D24-S26 VanDerWaalsContact O-N 3.14Å; D24-A27 HydrophobicContact CB-CB 3.63Å; D24-A27 WeakPolarHBondContact O-CA 3.3Å; D24-A27 WeakPolarHBondContact O-CB 3.24Å; D24-A27 PolarHBondContact O-N 3.47Å; D24-L28 PolarHBondContact O-N 3.35Å
25P80.8Confident81.7Confident36 Ų3660.9 Ų60.923%0.23434%0.341CS..Hα-helixtrans-63.2-28.7-177.122.4-32.7000111.5L17 E18 A23 A29L17-P25 HydrophobicContact CB-CB 3.89Å; E18-P25 HydrophobicContact CB-CG 4.36Å; A23-P25 WeakPolarHBondContact O-CD 3.32Å; P25-A29 WeakPolarHBondContact O-CB 3.5Å; P25-A29 PolarHBondContact O-N 3.19Å
26S80.8Confident81.6Confident72 Ų7254.1 Ų54.150%0.50331%0.309SS..Hα-helixtrans-67.5-30.1171.8-1720000113.2D24 K30D24-S26 PolarHBondContact O-N 3.12Å; D24-S26 VanDerWaalsContact O-N 3.14Å; S26-K30 VanDerWaalsContact O-CG 3.29Å; S26-K30 WeakPolarHBondContact O-CG 3.35Å; S26-K30 PolarHBondContact O-NZ 3.45Å; S26-K30 PolarHBondContact OG-NZ 3.17Å
27A85.2Confident81.6Confident49 Ų4957.5 Ų57.541%0.40532%0.321SS..Hα-helixtrans-78.7-46174.700000110.8D24 A29 K30 Y31D24-A27 HydrophobicContact CB-CB 3.63Å; D24-A27 WeakPolarHBondContact O-CA 3.3Å; D24-A27 WeakPolarHBondContact O-CB 3.24Å; D24-A27 PolarHBondContact O-N 3.47Å; A27-A29 PolarHBondContact O-N 2.9Å; A27-K30 WeakPolarHBondContact O-CB 3.35Å; A27-K30 PolarHBondContact O-N 3.39Å; A27-Y31 PolarHBondContact O-N 2.77Å; A27-Y31 VanDerWaalsContact O-N 3.1Å
28L84.9Confident81.5Confident12 Ų1261.5 Ų61.56%0.06334%0.338CS..Hα-helixtrans-61.9-42.9176.7-71.7174.5000112.1L17 C21 A23 D24 K30 Y31 V32 F56L17-L28 HydrophobicContact CD1-CB 3.86Å; C21-L28 HydrophobicContact CB-CD1 4.1Å; C21-L28 WeakPolarHBondContact SG-CD1 3.26Å; A23-L28 HydrophobicContact CB-CD1 4.36Å; D24-L28 PolarHBondContact O-N 3.35Å; L28-K30 VanDerWaalsContact C-N 3.26Å; L28-K30 PolarHBondContact O-N 3.07Å; L28-Y31 CarbonylContact O-C 3.48Å; L28-Y31 WeakPolarHBondContact O-CA 3.23Å; L28-Y31 WeakPolarHBondContact O-CB 3.25Å; L28-Y31 PolarHBondContact O-N 2.84Å; L28-V32 WeakPolarHBondContact O-CG2 3.32Å; L28-V32 PolarHBondContact O-N 2.67Å; L28-F56 HydrophobicContact CD1-CB 4.35Å; L28-F56 HydrophobicContact CD2-CB 4.21Å; L28-F56 HydrophobicContact CD2-CD1 3.78Å; L28-F56 HydrophobicContact CD2-CD2 3.97Å; L28-F56 HydrophobicContact CD2-CE1 4.07Å; L28-F56 HydrophobicContact CD2-CE2 4.25Å; L28-F56 HydrophobicContact CD2-CG 3.72Å; L28-F56 HydrophobicContact CD2-CZ 4.29Å
29A87.3Confident81.1Confident3 Ų362.7 Ų62.73%0.02535%0.349CS..Hα-helixtrans-56.8-37.9174.500000112.9L13 P25 A27 V33L13-A29 HydrophobicContact CB-CB 3.63Å; L13-A29 HydrophobicContact CD1-CB 4.29Å; P25-A29 WeakPolarHBondContact O-CB 3.5Å; P25-A29 PolarHBondContact O-N 3.19Å; A27-A29 PolarHBondContact O-N 2.9Å; A29-V33 WeakPolarHBondContact O-CB 3.14Å; A29-V33 VanDerWaalsContact O-CG2 3.28Å; A29-V33 WeakPolarHBondContact O-CG2 3.42Å; A29-V33 PolarHBondContact O-N 2.85Å
30K87.2Confident81.1Confident121 Ų12162.3 Ų62.353%0.52634%0.337SS..Hα-helixtrans-67.2-38.6174.4-65.9172.8-167.388.20111.6S26 A27 L28 A34S26-K30 VanDerWaalsContact O-CG 3.29Å; S26-K30 WeakPolarHBondContact O-CG 3.35Å; S26-K30 PolarHBondContact O-NZ 3.45Å; S26-K30 PolarHBondContact OG-NZ 3.17Å; A27-K30 WeakPolarHBondContact O-CB 3.35Å; A27-K30 PolarHBondContact O-N 3.39Å; L28-K30 VanDerWaalsContact C-N 3.26Å; L28-K30 PolarHBondContact O-N 3.07Å; K30-A34 PolarHBondContact O-N 2.82Å; K30-A34 VanDerWaalsContact O-N 3.14Å
31Y87.1Confident81.5Confident81 Ų8162.9 Ų62.932%0.31835%0.345SS..Hα-helixtrans-68.7-46.8177.1-176.4-105.7000112.2A27 L28 V33 A34 L35 Q52 L53A27-Y31 PolarHBondContact O-N 2.77Å; A27-Y31 VanDerWaalsContact O-N 3.1Å; L28-Y31 CarbonylContact O-C 3.48Å; L28-Y31 WeakPolarHBondContact O-CA 3.23Å; L28-Y31 WeakPolarHBondContact O-CB 3.25Å; L28-Y31 PolarHBondContact O-N 2.84Å; Y31-V33 PolarHBondContact O-N 2.67Å; Y31-A34 CarbonylContact O-C 3.5Å; Y31-A34 WeakPolarHBondContact O-CA 3.47Å; Y31-A34 WeakPolarHBondContact O-CB 3.32Å; Y31-A34 PolarHBondContact O-N 3.36Å; Y31-L35 HydrophobicContact CD1-CD1 4.18Å; Y31-L35 HydrophobicContact CD1-CG 4.31Å; Y31-L35 HydrophobicContact CE1-CD1 3.72Å; Y31-L35 HydrophobicContact CE1-CD2 4.15Å; Y31-L35 HydrophobicContact CE1-CG 4Å; Y31-L35 HydrophobicContact CE2-CD2 4.49Å; Y31-L35 PolarHBondContact O-N 3.28Å; Y31-Q52 HydrophobicContact CE1-CB 4.11Å; Y31-Q52 WeakPolarHBondContact OH-CB 3.44Å; Y31-Q52 PolarHBondContact OH-OE1 3.12Å; Y31-L53 HydrophobicContact CD1-CD2 3.98Å; Y31-L53 HydrophobicContact CE1-CD2 4.18Å
32V85.4Confident81.8Confident0 Ų066.4 Ų66.40%036%0.36CS..Hα-helixtrans-57-47174.7175.20000111.1L13 L28 A34 L35 V36 L53 L68L13-V32 HydrophobicContact CD1-CB 4.17Å; L13-V32 HydrophobicContact CD1-CG1 3.95Å; L13-V32 HydrophobicContact CD2-CB 4.32Å; L13-V32 HydrophobicContact CD2-CG1 3.77Å; L28-V32 WeakPolarHBondContact O-CG2 3.32Å; L28-V32 PolarHBondContact O-N 2.67Å; V32-A34 PolarHBondContact O-N 3.21Å; V32-L35 WeakPolarHBondContact O-CB 3.45Å; V32-L35 PolarHBondContact O-N 2.9Å; V32-V36 HydrophobicContact CG1-CG2 4.4Å; V32-V36 WeakPolarHBondContact O-CG2 3.25Å; V32-V36 PolarHBondContact O-N 2.88Å; V32-L53 HydrophobicContact CG2-CD1 3.9Å; V32-L53 HydrophobicContact CG2-CD2 3.78Å; V32-L68 HydrophobicContact CG1-CD1 4.46Å; V32-L68 HydrophobicContact CG1-CD2 3.43Å; V32-L68 VanDerWaalsContact CG1-CD2 3.43Å
33V85.2Confident82.4Confident9 Ų966 Ų666%0.05535%0.349CS..Hα-helixtrans-61.2-30.8174.3170.20000112L6 L9 K10 L13 A29 Y31 K37L6-V33 HydrophobicContact CD2-CG1 4.16Å; L9-V33 HydrophobicContact CD2-CG2 4.28Å; K10-V33 HydrophobicContact CG-CG2 4.28Å; L13-V33 HydrophobicContact CD1-CG2 3.68Å; A29-V33 WeakPolarHBondContact O-CB 3.14Å; A29-V33 VanDerWaalsContact O-CG2 3.28Å; A29-V33 WeakPolarHBondContact O-CG2 3.42Å; A29-V33 PolarHBondContact O-N 2.85Å; Y31-V33 PolarHBondContact O-N 2.67Å; V33-K37 HydrophobicContact CG1-CD 4.14Å; V33-K37 VanDerWaalsContact O-CB 3.28Å; V33-K37 WeakPolarHBondContact O-CB 3.33Å; V33-K37 WeakPolarHBondContact O-CG 3.35Å; V33-K37 PolarHBondContact O-N 2.9Å
34A85.1Confident82.9Confident52 Ų5267.8 Ų67.843%0.4335%0.35SS..Hα-helixtrans-76.6-24.8173.600000113.6K30 Y31 V32K30-A34 PolarHBondContact O-N 2.82Å; K30-A34 VanDerWaalsContact O-N 3.14Å; Y31-A34 CarbonylContact O-C 3.5Å; Y31-A34 WeakPolarHBondContact O-CA 3.47Å; Y31-A34 WeakPolarHBondContact O-CB 3.32Å; Y31-A34 PolarHBondContact O-N 3.36Å; V32-A34 PolarHBondContact O-N 3.21Å
35L83.8Confident83Confident3 Ų362 Ų622%0.01632%0.319CS..Hα-helixtrans-73.2-51.7170.5-63.5-174.5000111.5Y31 V32 K37 K38 Q52 L53Y31-L35 HydrophobicContact CD1-CD1 4.18Å; Y31-L35 HydrophobicContact CD1-CG 4.31Å; Y31-L35 HydrophobicContact CE1-CD1 3.72Å; Y31-L35 HydrophobicContact CE1-CD2 4.15Å; Y31-L35 HydrophobicContact CE1-CG 4Å; Y31-L35 HydrophobicContact CE2-CD2 4.49Å; Y31-L35 PolarHBondContact O-N 3.28Å; V32-L35 WeakPolarHBondContact O-CB 3.45Å; V32-L35 PolarHBondContact O-N 2.9Å; L35-K37 PolarHBondContact O-N 3.39Å; L35-K38 HydrophobicContact CD2-CD 4.45Å; L35-K38 WeakPolarHBondContact O-CB 3.27Å; L35-K38 WeakPolarHBondContact O-CG 3.35Å; L35-K38 PolarHBondContact O-N 3.42Å; L35-Q52 HydrophobicContact CD1-CB 3.98Å; L35-L53 HydrophobicContact CD1-CD2 4.39Å; L35-L53 HydrophobicContact CD1-CG 4.23Å
36V82.3Confident83.2Confident0 Ų062.7 Ų62.70%032%0.319CS..Hα-helixtrans-63.9-23.6-178.4178.30000112.6I3 V32 K38 L68 I72I3-V36 HydrophobicContact CD1-CG1 3.92Å; I3-V36 HydrophobicContact CG1-CG1 4.47Å; V32-V36 HydrophobicContact CG1-CG2 4.4Å; V32-V36 WeakPolarHBondContact O-CG2 3.25Å; V32-V36 PolarHBondContact O-N 2.88Å; V36-K38 VanDerWaalsContact C-N 3.34Å; V36-L68 HydrophobicContact CG2-CD2 4.26Å; V36-I72 HydrophobicContact CG1-CD1 3.78Å; V36-I72 HydrophobicContact CG2-CD1 4.23Å
37K81.2Confident83.5Confident107 Ų10761.9 Ų61.947%0.46532%0.316SS..THydrogen-bonded Turntrans-79.7-1.8173.1-81-178.1175.9-171.90115.5L6 V33 L35L6-K37 VanDerWaalsContact CD1-NZ 3.28Å; V33-K37 HydrophobicContact CG1-CD 4.14Å; V33-K37 VanDerWaalsContact O-CB 3.28Å; V33-K37 WeakPolarHBondContact O-CB 3.33Å; V33-K37 WeakPolarHBondContact O-CG 3.35Å; V33-K37 PolarHBondContact O-N 2.9Å; L35-K37 PolarHBondContact O-N 3.39Å
38K81.9Confident83.5Confident84 Ų8461.9 Ų61.937%0.36531%0.309SS..SBendtrans-73.1135.7173.5-65.1171.9-179.7175.40109.3L35 V36 K40 L45L35-K38 HydrophobicContact CD2-CD 4.45Å; L35-K38 WeakPolarHBondContact O-CB 3.27Å; L35-K38 WeakPolarHBondContact O-CG 3.35Å; L35-K38 PolarHBondContact O-N 3.42Å; V36-K38 VanDerWaalsContact C-N 3.34Å; K38-K40 PolarHBondContact O-N 2.94Å; K38-L45 HydrophobicContact CB-CD2 3.9Å; K38-L45 WeakPolarHBondContact O-CD2 3.36Å
39D71.3Confident83.5Confident167 Ų16761.3 Ų61.389%0.89331%0.306SS*.SBendtrans-79.882.6-179.4-66-51.6000111.1
40K80.2Confident83.5Confident99 Ų9963 Ų6343%0.4332%0.315SS..SBendtrans-140.4168.8178.6-69.8-179.5155.2-109.70111.6K38 E44 L45 L48K38-K40 PolarHBondContact O-N 2.94Å; K40-E44 HydrophobicContact CB-CB 4.09Å; K40-E44 HydrophobicContact CD-CB 4.31Å; K40-E44 IonicContact NZ-OE2 2.69Å; K40-E44 PolarHBondContact NZ-OE2 2.85Å; K40-L45 HydrophobicContact CB-CD2 3.84Å; K40-L45 HydrophobicContact CB-CG 3.94Å; K40-L48 HydrophobicContact CD-CD1 3.41Å; K40-L48 VanDerWaalsContact CD-CD1 3.41Å
41S82.1Confident83.5Confident58 Ų5862 Ų6241%0.40632%0.315SS..  trans-63.8152.2173.670.10000111.7K43 E44 L45S41-K43 PolarHBondContact O-N 2.97Å; S41-E44 WeakPolarHBondContact CB-OE1 3.2Å; S41-E44 PolarHBondContact N-OE1 3.25Å; S41-E44 PolarHBondContact O-N 3.29Å; S41-E44 VanDerWaalsContact O-N 3.13Å; S41-E44 WeakPolarHBondContact OG-CG 3.32Å; S41-E44 PolarHBondContact OG-N 2.99Å; S41-E44 PolarHBondContact OG-OE1 3.19Å; S41-L45 WeakPolarHBondContact O-CG 3.08Å; S41-L45 PolarHBondContact O-N 3.3Å
42E79.2Confident83.3Confident89 Ų8961.5 Ų61.542%0.41632%0.315SS..Hα-helixtrans-55.4-39.1179.9-172.3-168.1133.800112.3M1 L45 K46 F69M1-E42 HydrophobicContact CE-CB 4.25Å; M1-E42 HydrophobicContact CE-CG 3.68Å; M1-E42 WeakPolarHBondContact CE-OE2 3.42Å; E42-L45 PolarHBondContact O-N 3.41Å; E42-K46 HydrophobicContact CG-CD 4.36Å; E42-K46 WeakPolarHBondContact O-CB 3.47Å; E42-K46 PolarHBondContact O-N 3.17Å; E42-K46 WeakPolarHBondContact OE1-CE 3.37Å; E42-K46 IonicContact OE1-NZ 2.8Å; E42-K46 PolarHBondContact OE1-NZ 3Å; E42-F69 HydrophobicContact CG-CD1 3.7Å; E42-F69 HydrophobicContact CG-CE1 3.85Å
43K82.6Confident83.3Confident179 Ų17961.6 Ų61.678%0.77832%0.316SS*.Hα-helixtrans-65.3-41.1179.7-62.4-175.7179.2-176.50112S41 A47S41-K43 PolarHBondContact O-N 2.97Å; K43-A47 WeakPolarHBondContact O-CB 3.35Å; K43-A47 PolarHBondContact O-N 2.86Å; K43-A47 VanDerWaalsContact O-N 3.09Å
44E84.6Confident83.3Confident79 Ų7965.1 Ų65.137%0.36934%0.335SS..Hα-helixtrans-68.1-38.3171.9-72.4167.5-96.200112.4K40 S41 A47 L48K40-E44 HydrophobicContact CB-CB 4.09Å; K40-E44 HydrophobicContact CD-CB 4.31Å; K40-E44 IonicContact NZ-OE2 2.69Å; K40-E44 PolarHBondContact NZ-OE2 2.85Å; S41-E44 WeakPolarHBondContact CB-OE1 3.2Å; S41-E44 PolarHBondContact N-OE1 3.25Å; S41-E44 PolarHBondContact O-N 3.29Å; S41-E44 VanDerWaalsContact O-N 3.13Å; S41-E44 WeakPolarHBondContact OG-CG 3.32Å; S41-E44 PolarHBondContact OG-N 2.99Å; S41-E44 PolarHBondContact OG-OE1 3.19Å; E44-A47 PolarHBondContact O-N 2.92Å; E44-L48 WeakPolarHBondContact O-CB 3.28Å; E44-L48 WeakPolarHBondContact O-CD1 3.4Å; E44-L48 VanDerWaalsContact O-CG 3.24Å; E44-L48 WeakPolarHBondContact O-CG 3.43Å; E44-L48 PolarHBondContact O-N 3.38Å
45L85.4Confident83.2Confident2 Ų268 Ų681%0.0135%0.347CS..Hα-helixtrans-67.7-39.7178.8-68.8177.7000111.4K38 K40 S41 E42 L48 C49 F69K38-L45 HydrophobicContact CB-CD2 3.9Å; K38-L45 WeakPolarHBondContact O-CD2 3.36Å; K40-L45 HydrophobicContact CB-CD2 3.84Å; K40-L45 HydrophobicContact CB-CG 3.94Å; S41-L45 WeakPolarHBondContact O-CG 3.08Å; S41-L45 PolarHBondContact O-N 3.3Å; E42-L45 PolarHBondContact O-N 3.41Å; L45-L48 PolarHBondContact O-N 3.45Å; L45-C49 WeakPolarHBondContact O-CB 3.31Å; L45-C49 PolarHBondContact O-N 2.95Å; L45-C49 PolarHBondContact O-SG 3.39Å; L45-F69 HydrophobicContact CB-CE1 4.05Å; L45-F69 HydrophobicContact CB-CZ 3.7Å
46K84.1Confident83Confident50 Ų5072.2 Ų72.222%0.21737%0.365CS..Hα-helixtrans-58.4-52.5169.9-79.4176.2166.9167.80110.8E42 L48 C49 I50 V65 F69E42-K46 HydrophobicContact CG-CD 4.36Å; E42-K46 WeakPolarHBondContact O-CB 3.47Å; E42-K46 PolarHBondContact O-N 3.17Å; E42-K46 WeakPolarHBondContact OE1-CE 3.37Å; E42-K46 IonicContact OE1-NZ 2.8Å; E42-K46 PolarHBondContact OE1-NZ 3Å; K46-L48 VanDerWaalsContact C-N 3.32Å; K46-L48 PolarHBondContact O-N 3.2Å; K46-C49 PolarHBondContact O-N 3.27Å; K46-C49 VanDerWaalsContact O-N 3.13Å; K46-I50 WeakPolarHBondContact O-CD1 3.5Å; K46-I50 VanDerWaalsContact O-CG1 3.3Å; K46-I50 WeakPolarHBondContact O-CG1 3.4Å; K46-I50 PolarHBondContact O-N 2.97Å; K46-V65 HydrophobicContact CB-CG1 4.34Å; K46-V65 HydrophobicContact CG-CG1 4.18Å; K46-F69 HydrophobicContact CD-CD1 4.4Å; K46-F69 HydrophobicContact CD-CD2 4.48Å; K46-F69 HydrophobicContact CD-CG 4.22Å; K46-F69 HydrophobicContact CG-CD1 3.95Å; K46-F69 HydrophobicContact CG-CD2 3.64Å; K46-F69 HydrophobicContact CG-CE1 4Å; K46-F69 HydrophobicContact CG-CE2 3.7Å; K46-F69 HydrophobicContact CG-CG 3.77Å; K46-F69 HydrophobicContact CG-CZ 3.88Å
47A86.8Confident82.9Confident55 Ų5572.6 Ų72.646%0.45537%0.367SS..Hα-helixtrans-57.5-40.7177.700000113.4K43 E44 I50 D51K43-A47 WeakPolarHBondContact O-CB 3.35Å; K43-A47 PolarHBondContact O-N 2.86Å; K43-A47 VanDerWaalsContact O-N 3.09Å; E44-A47 PolarHBondContact O-N 2.92Å; A47-I50 PolarHBondContact O-N 3.1Å; A47-D51 WeakPolarHBondContact O-CB 3.09Å; A47-D51 PolarHBondContact O-N 3.18Å
48L84.9Confident83Confident49 Ų4973.7 Ų73.726%0.25737%0.374SS..Hα-helixtrans-75.8-26.9177.5-71.6166.2000113.6K40 E44 L45 K46 Q52K40-L48 HydrophobicContact CD-CD1 3.41Å; K40-L48 VanDerWaalsContact CD-CD1 3.41Å; E44-L48 WeakPolarHBondContact O-CB 3.28Å; E44-L48 WeakPolarHBondContact O-CD1 3.4Å; E44-L48 VanDerWaalsContact O-CG 3.24Å; E44-L48 WeakPolarHBondContact O-CG 3.43Å; E44-L48 PolarHBondContact O-N 3.38Å; L45-L48 PolarHBondContact O-N 3.45Å; K46-L48 VanDerWaalsContact C-N 3.32Å; K46-L48 PolarHBondContact O-N 3.2Å; L48-Q52 VanDerWaalsContact O-CB 3.25Å; L48-Q52 WeakPolarHBondContact O-CB 3.4Å; L48-Q52 WeakPolarHBondContact O-CG 3.25Å; L48-Q52 PolarHBondContact O-N 2.98Å
49C85.6Confident82.8Confident0 Ų079.1 Ų79.10%040%0.397CS..Hα-helixtrans-72.9-39.2169.8-66.80000110.4L45 K46 L53 V65 F69L45-C49 WeakPolarHBondContact O-CB 3.31Å; L45-C49 PolarHBondContact O-N 2.95Å; L45-C49 PolarHBondContact O-SG 3.39Å; K46-C49 PolarHBondContact O-N 3.27Å; K46-C49 VanDerWaalsContact O-N 3.13Å; C49-L53 HydrophobicContact CB-CD1 4.17Å; C49-L53 WeakPolarHBondContact O-CB 3.18Å; C49-L53 WeakPolarHBondContact O-CD1 3.21Å; C49-L53 WeakPolarHBondContact O-CG 3.43Å; C49-L53 PolarHBondContact O-N 2.65Å; C49-V65 HydrophobicContact CB-CG1 4.02Å; C49-V65 HydrophobicContact CB-CG2 3.75Å; C49-F69 HydrophobicContact CB-CE2 4.39Å
50I88.2Confident83.1Confident40 Ų4076.1 Ų76.121%0.20538%0.378CS..Hα-helixtrans-59.5-62.2173-68.4156.2000110.1K46 A47 Q52 L53 D54 V65K46-I50 WeakPolarHBondContact O-CD1 3.5Å; K46-I50 VanDerWaalsContact O-CG1 3.3Å; K46-I50 WeakPolarHBondContact O-CG1 3.4Å; K46-I50 PolarHBondContact O-N 2.97Å; A47-I50 PolarHBondContact O-N 3.1Å; I50-Q52 VanDerWaalsContact C-N 3.3Å; I50-Q52 PolarHBondContact O-N 2.95Å; I50-L53 PolarHBondContact O-N 3.17Å; I50-D54 WeakPolarHBondContact O-CB 3.43Å; I50-D54 PolarHBondContact O-N 3.19Å; I50-V65 HydrophobicContact CG1-CB 4.28Å; I50-V65 HydrophobicContact CG1-CG1 4.18Å; I50-V65 HydrophobicContact CG1-CG2 4.26Å
51D86.9Confident83.2Confident98 Ų9871.4 Ų71.452%0.52436%0.358SS..Hα-helixtrans-54.4-41-176.1172.590.7000113.6A47A47-D51 WeakPolarHBondContact O-CB 3.09Å; A47-D51 PolarHBondContact O-N 3.18Å
52Q82.6Confident83.3Confident71 Ų7173.4 Ų73.433%0.33236%0.36SS..Hα-helixtrans-89.9-13.8-176-60.9-72.3-86.400114.3Y31 L35 L48 I50Y31-Q52 HydrophobicContact CE1-CB 4.11Å; Y31-Q52 WeakPolarHBondContact OH-CB 3.44Å; Y31-Q52 PolarHBondContact OH-OE1 3.12Å; L35-Q52 HydrophobicContact CD1-CB 3.98Å; L48-Q52 VanDerWaalsContact O-CB 3.25Å; L48-Q52 WeakPolarHBondContact O-CB 3.4Å; L48-Q52 WeakPolarHBondContact O-CG 3.25Å; L48-Q52 PolarHBondContact O-N 2.98Å; I50-Q52 VanDerWaalsContact C-N 3.3Å; I50-Q52 PolarHBondContact O-N 2.95Å
53L84.3Confident83.6Confident2 Ų272 Ų721%0.0136%0.359CS..Hα-helixtrans-104.6-14.4176-57.8170.8000112.8Y31 V32 L35 C49 I50 V55 F56 L57 T61 F64 V65Y31-L53 HydrophobicContact CD1-CD2 3.98Å; Y31-L53 HydrophobicContact CE1-CD2 4.18Å; V32-L53 HydrophobicContact CG2-CD1 3.9Å; V32-L53 HydrophobicContact CG2-CD2 3.78Å; L35-L53 HydrophobicContact CD1-CD2 4.39Å; L35-L53 HydrophobicContact CD1-CG 4.23Å; C49-L53 HydrophobicContact CB-CD1 4.17Å; C49-L53 WeakPolarHBondContact O-CB 3.18Å; C49-L53 WeakPolarHBondContact O-CD1 3.21Å; C49-L53 WeakPolarHBondContact O-CG 3.43Å; C49-L53 PolarHBondContact O-N 2.65Å; I50-L53 PolarHBondContact O-N 3.17Å; L53-V55 PolarHBondContact O-N 3.14Å; L53-F56 CarbonylContact O-C 3.55Å; L53-F56 WeakPolarHBondContact O-CA 3.31Å; L53-F56 PolarHBondContact O-N 2.88Å; L53-L57 HydrophobicContact CB-CD1 4.19Å; L53-L57 PolarHBondContact O-N 3.2Å; L53-T61 HydrophobicContact CB-CG2 3.68Å; L53-F64 HydrophobicContact CD1-CD1 4.41Å; L53-F64 HydrophobicContact CD1-CE1 4.19Å; L53-V65 HydrophobicContact CD1-CG2 4.17Å
54D85.4Confident83.8Confident84 Ų8463.8 Ų63.845%0.44932%0.323SS..Hα-helixtrans-58.4-33.2175.3-168.755.5000112.4I50 F56 Q58 T61I50-D54 WeakPolarHBondContact O-CB 3.43Å; I50-D54 PolarHBondContact O-N 3.19Å; D54-F56 PolarHBondContact O-N 3.02Å; D54-Q58 WeakPolarHBondContact O-CA 3.21Å; D54-Q58 WeakPolarHBondContact O-CG 3.45Å; D54-Q58 PolarHBondContact O-N 3.26Å; D54-Q58 WeakPolarHBondContact OD1-CA 3.42Å; D54-Q58 VanDerWaalsContact OD1-O 3.09Å; D54-T61 WeakPolarHBondContact CA-OG1 3.23Å
55V84.1Confident83.9Confident113 Ų11360 Ų6069%0.68531%0.306SS*.Hα-helixtrans-60.4-24172.4-173.50000113L53L53-V55 PolarHBondContact O-N 3.14Å
56F79.6Confident84Confident90 Ų9064 Ų6440%0.39533%0.327SS..Hα-helixtrans-112.6-35.2-175-60.4-79.4000114.1C21 L28 L53 D54C21-F56 PolarHBondContact SG-O 3.45Å; L28-F56 HydrophobicContact CD1-CB 4.35Å; L28-F56 HydrophobicContact CD2-CB 4.21Å; L28-F56 HydrophobicContact CD2-CD1 3.78Å; L28-F56 HydrophobicContact CD2-CD2 3.97Å; L28-F56 HydrophobicContact CD2-CE1 4.07Å; L28-F56 HydrophobicContact CD2-CE2 4.25Å; L28-F56 HydrophobicContact CD2-CG 3.72Å; L28-F56 HydrophobicContact CD2-CZ 4.29Å; L53-F56 CarbonylContact O-C 3.55Å; L53-F56 WeakPolarHBondContact O-CA 3.31Å; L53-F56 PolarHBondContact O-N 2.88Å; D54-F56 PolarHBondContact O-N 3.02Å
57L79.4Confident84.1Confident9 Ų967.5 Ų67.55%0.04734%0.343CS..Hα-helixtrans-114.7-10.4-173.7-52.4176.6000112.9L17 I20 C21 L53 K59 E60 T61 F64L17-L57 HydrophobicContact CD2-CD1 3.92Å; L17-L57 HydrophobicContact CD2-CD2 3.76Å; L17-L57 HydrophobicContact CD2-CG 4.45Å; I20-L57 HydrophobicContact CG2-CD2 3.94Å; C21-L57 HydrophobicContact CB-CD2 3.64Å; L53-L57 HydrophobicContact CB-CD1 4.19Å; L53-L57 PolarHBondContact O-N 3.2Å; L57-K59 PolarHBondContact O-N 3.02Å; L57-K59 VanDerWaalsContact O-N 3.12Å; L57-E60 PolarHBondContact O-N 2.99Å; L57-T61 VanDerWaalsContact C-OG1 3.32Å; L57-T61 WeakPolarHBondContact CB-OG1 3.46Å; L57-F64 HydrophobicContact CD1-CB 4.17Å; L57-F64 HydrophobicContact CD1-CD1 3.48Å; L57-F64 VanDerWaalsContact CD1-CD1 3.48Å; L57-F64 HydrophobicContact CD1-CE1 3.98Å; L57-F64 HydrophobicContact CD1-CG 3.79Å
58Q82.8Confident84.1Confident130 Ų13064.9 Ų64.961%0.60732%0.321SS*.G310 helixtrans44.7-115.1176.6-56.2178.219.300112.4D54 E60 T61D54-Q58 WeakPolarHBondContact O-CA 3.21Å; D54-Q58 WeakPolarHBondContact O-CG 3.45Å; D54-Q58 PolarHBondContact O-N 3.26Å; D54-Q58 WeakPolarHBondContact OD1-CA 3.42Å; D54-Q58 VanDerWaalsContact OD1-O 3.09Å; Q58-E60 PolarHBondContact O-N 3.47Å; Q58-T61 PolarHBondContact N-OG1 2.87Å; Q58-T61 VanDerWaalsContact N-OG1 3.17Å; Q58-T61 VanDerWaalsContact O-CB 3.31Å; Q58-T61 WeakPolarHBondContact O-CB 3.41Å; Q58-T61 PolarHBondContact O-N 2.87Å; Q58-T61 VanDerWaalsContact O-N 3.14Å; Q58-T61 PolarHBondContact O-OG1 3.13Å
59K77.8Confident84.1Confident198 Ų19862.7 Ų62.786%0.86131%0.309SS*.G310 helixtrans-64.2-22.7-176.5-62.4177.3-176.1173.10113.9L57L57-K59 PolarHBondContact O-N 3.02Å; L57-K59 VanDerWaalsContact O-N 3.12Å
60E78.4Confident84.1Confident103 Ų10368 Ų6848%0.48133%0.334SS..G310 helixtrans-92.5-3.6-179.6-58.5-153.6-161.700113.2I20 L57 Q58 Q62 P63 F64I20-E60 HydrophobicContact CG2-CB 3.69Å; I20-E60 HydrophobicContact CG2-CG 4.37Å; L57-E60 PolarHBondContact O-N 2.99Å; Q58-E60 PolarHBondContact O-N 3.47Å; E60-Q62 PolarHBondContact O-N 2.87Å; E60-P63 VanDerWaalsContact O-CD 3.27Å; E60-P63 WeakPolarHBondContact O-CD 3.37Å; E60-P63 WeakPolarHBondContact O-CG 3.18Å; E60-F64 WeakPolarHBondContact O-CB 3.36Å; E60-F64 PolarHBondContact O-N 3.4Å
61T83.4Confident83.8Confident1 Ų166.2 Ų66.21%0.00633%0.325CS..Hα-helixtrans-59-45.1-179.8-45.70000113.2L53 D54 L57 Q58 F64 V65L53-T61 HydrophobicContact CB-CG2 3.68Å; D54-T61 WeakPolarHBondContact CA-OG1 3.23Å; L57-T61 VanDerWaalsContact C-OG1 3.32Å; L57-T61 WeakPolarHBondContact CB-OG1 3.46Å; Q58-T61 PolarHBondContact N-OG1 2.87Å; Q58-T61 VanDerWaalsContact N-OG1 3.17Å; Q58-T61 VanDerWaalsContact O-CB 3.31Å; Q58-T61 WeakPolarHBondContact O-CB 3.41Å; Q58-T61 PolarHBondContact O-N 2.87Å; Q58-T61 VanDerWaalsContact O-N 3.14Å; Q58-T61 PolarHBondContact O-OG1 3.13Å; T61-F64 PolarHBondContact O-N 2.94Å; T61-V65 HydrophobicContact CG2-CG2 4.21Å; T61-V65 WeakPolarHBondContact O-CB 3.39Å; T61-V65 VanDerWaalsContact O-CG2 3.25Å; T61-V65 WeakPolarHBondContact O-CG2 3.35Å; T61-V65 PolarHBondContact O-N 3.02Å
62Q83.1Confident83.6Confident99 Ų9962.1 Ų62.146%0.46330%0.303SS..Hα-helixtrans-60.5-58.8179.9-65.3-75.8-2.300111.8E60 F64 V65 D66E60-Q62 PolarHBondContact O-N 2.87Å; Q62-F64 VanDerWaalsContact C-N 3.27Å; Q62-F64 PolarHBondContact O-N 2.81Å; Q62-V65 PolarHBondContact O-N 3.15Å; Q62-D66 PolarHBondContact O-N 3.21Å
63P85.2Confident83.5Confident61 Ų6162.2 Ų62.240%0.39631%0.312SS..Hα-helixtrans-66.1-26.3178.926.8-35.5000113.3E60 K67E60-P63 VanDerWaalsContact O-CD 3.27Å; E60-P63 WeakPolarHBondContact O-CD 3.37Å; E60-P63 WeakPolarHBondContact O-CG 3.18Å; P63-K67 WeakPolarHBondContact O-CB 3.36Å; P63-K67 WeakPolarHBondContact O-CD 3.3Å; P63-K67 WeakPolarHBondContact O-CG 3.33Å; P63-K67 PolarHBondContact O-N 3.01Å; P63-K67 VanDerWaalsContact O-N 3.17Å
64F86.4Confident83.2Confident5 Ų567 Ų672%0.02234%0.337CS..Hα-helixtrans-67.9-47171.2175.6-96.4000112L13 L17 I20 L53 L57 E60 T61 Q62 K67 L68L13-F64 HydrophobicContact CD2-CE1 4.49Å; L13-F64 HydrophobicContact CD2-CE2 4.46Å; L13-F64 HydrophobicContact CD2-CZ 3.65Å; L17-F64 HydrophobicContact CD1-CZ 4.22Å; L17-F64 HydrophobicContact CD2-CD2 4.22Å; L17-F64 HydrophobicContact CD2-CE1 4.01Å; L17-F64 HydrophobicContact CD2-CE2 3.58Å; L17-F64 HydrophobicContact CD2-CZ 3.46Å; L17-F64 VanDerWaalsContact CD2-CZ 3.46Å; L17-F64 HydrophobicContact CG-CE2 3.81Å; L17-F64 HydrophobicContact CG-CZ 3.74Å; I20-F64 HydrophobicContact CD1-CD2 4.35Å; L53-F64 HydrophobicContact CD1-CD1 4.41Å; L53-F64 HydrophobicContact CD1-CE1 4.19Å; L57-F64 HydrophobicContact CD1-CB 4.17Å; L57-F64 HydrophobicContact CD1-CD1 3.48Å; L57-F64 VanDerWaalsContact CD1-CD1 3.48Å; L57-F64 HydrophobicContact CD1-CE1 3.98Å; L57-F64 HydrophobicContact CD1-CG 3.79Å; E60-F64 WeakPolarHBondContact O-CB 3.36Å; E60-F64 PolarHBondContact O-N 3.4Å; T61-F64 PolarHBondContact O-N 2.94Å; Q62-F64 VanDerWaalsContact C-N 3.27Å; Q62-F64 PolarHBondContact O-N 2.81Å; F64-K67 PolarHBondContact O-N 3.04Å; F64-L68 HydrophobicContact CE1-CD2 4.27Å; F64-L68 VanDerWaalsContact O-CB 3.32Å; F64-L68 WeakPolarHBondContact O-CB 3.26Å; F64-L68 PolarHBondContact O-N 3.18Å
65V87.5Confident82.8Confident1 Ų167.6 Ų67.61%0.00634%0.336CS..Hα-helixtrans-65.2-42.5179.5169.80000110.9K46 C49 I50 L53 T61 Q62 L68 F69K46-V65 HydrophobicContact CB-CG1 4.34Å; K46-V65 HydrophobicContact CG-CG1 4.18Å; C49-V65 HydrophobicContact CB-CG1 4.02Å; C49-V65 HydrophobicContact CB-CG2 3.75Å; I50-V65 HydrophobicContact CG1-CB 4.28Å; I50-V65 HydrophobicContact CG1-CG1 4.18Å; I50-V65 HydrophobicContact CG1-CG2 4.26Å; L53-V65 HydrophobicContact CD1-CG2 4.17Å; T61-V65 HydrophobicContact CG2-CG2 4.21Å; T61-V65 WeakPolarHBondContact O-CB 3.39Å; T61-V65 VanDerWaalsContact O-CG2 3.25Å; T61-V65 WeakPolarHBondContact O-CG2 3.35Å; T61-V65 PolarHBondContact O-N 3.02Å; Q62-V65 PolarHBondContact O-N 3.15Å; V65-L68 WeakPolarHBondContact O-CB 3.34Å; V65-L68 PolarHBondContact O-N 3.06Å; V65-F69 HydrophobicContact CG1-CD2 3.84Å; V65-F69 HydrophobicContact CG1-CE2 3.93Å; V65-F69 WeakPolarHBondContact O-CD2 3.33Å; V65-F69 PolarHBondContact O-N 3.02Å
66D87.6Confident81.9Confident85 Ų8565.6 Ų65.646%0.45533%0.327SS..Hα-helixtrans-63.2-45.5176.2-79.3-35.2000112Q62 L68 F69 E70Q62-D66 PolarHBondContact O-N 3.21Å; D66-L68 VanDerWaalsContact C-N 3.31Å; D66-L68 PolarHBondContact O-N 3.42Å; D66-F69 PolarHBondContact O-N 3.27Å; D66-E70 WeakPolarHBondContact O-CB 3.31Å; D66-E70 PolarHBondContact O-N 3.14Å
67K86Confident81.5Confident124 Ų12461.8 Ų61.854%0.53931%0.31SS..Hα-helixtrans-58.8-39.1172.8-74.4169.9-173.7174.30112.9P63 F64 A71P63-K67 WeakPolarHBondContact O-CB 3.36Å; P63-K67 WeakPolarHBondContact O-CD 3.3Å; P63-K67 WeakPolarHBondContact O-CG 3.33Å; P63-K67 PolarHBondContact O-N 3.01Å; P63-K67 VanDerWaalsContact O-N 3.17Å; F64-K67 PolarHBondContact O-N 3.04Å; K67-A71 VanDerWaalsContact O-CB 3.23Å; K67-A71 WeakPolarHBondContact O-CB 3.28Å; K67-A71 PolarHBondContact O-N 3.04Å
68L86.1Confident81.3Confident0 Ų063.8 Ų63.80%032%0.321CS..Hα-helixtrans-63.6-47.3177.4167.561.8000111.5L9 W12 L13 V32 V36 F64 V65 D66 A71 I72L9-L68 HydrophobicContact CD1-CD1 4.21Å; W12-L68 HydrophobicContact CZ3-CB 4.36Å; W12-L68 HydrophobicContact CZ3-CD1 3.94Å; L13-L68 HydrophobicContact CD2-CD1 3.91Å; V32-L68 HydrophobicContact CG1-CD1 4.46Å; V32-L68 HydrophobicContact CG1-CD2 3.43Å; V32-L68 VanDerWaalsContact CG1-CD2 3.43Å; V36-L68 HydrophobicContact CG2-CD2 4.26Å; F64-L68 HydrophobicContact CE1-CD2 4.27Å; F64-L68 VanDerWaalsContact O-CB 3.32Å; F64-L68 WeakPolarHBondContact O-CB 3.26Å; F64-L68 PolarHBondContact O-N 3.18Å; V65-L68 WeakPolarHBondContact O-CB 3.34Å; V65-L68 PolarHBondContact O-N 3.06Å; D66-L68 VanDerWaalsContact C-N 3.31Å; D66-L68 PolarHBondContact O-N 3.42Å; L68-A71 PolarHBondContact O-N 2.89Å; L68-I72 HydrophobicContact CD1-CD1 3.62Å; L68-I72 HydrophobicContact CD1-CG1 4.23Å; L68-I72 HydrophobicContact CG-CD1 3.94Å; L68-I72 WeakPolarHBondContact O-CB 3.45Å; L68-I72 WeakPolarHBondContact O-CD1 3.21Å; L68-I72 VanDerWaalsContact O-CG1 3.25Å; L68-I72 WeakPolarHBondContact O-CG1 3.28Å; L68-I72 PolarHBondContact O-N 3.01Å
69F85.6Confident80.1Confident2 Ų263 Ų631%0.00933%0.326CS..Hα-helixtrans-71.3-34.5179.3-83.8-97.3000112.2M1 E42 L45 K46 C49 V65 D66 I72 S73M1-F69 HydrophobicContact CE-CD1 4.06Å; M1-F69 HydrophobicContact CE-CE1 4.4Å; M1-F69 HydrophobicContact SD-CD1 3.78Å; M1-F69 HydrophobicContact SD-CE1 3.73Å; E42-F69 HydrophobicContact CG-CD1 3.7Å; E42-F69 HydrophobicContact CG-CE1 3.85Å; L45-F69 HydrophobicContact CB-CE1 4.05Å; L45-F69 HydrophobicContact CB-CZ 3.7Å; K46-F69 HydrophobicContact CD-CD1 4.4Å; K46-F69 HydrophobicContact CD-CD2 4.48Å; K46-F69 HydrophobicContact CD-CG 4.22Å; K46-F69 HydrophobicContact CG-CD1 3.95Å; K46-F69 HydrophobicContact CG-CD2 3.64Å; K46-F69 HydrophobicContact CG-CE1 4Å; K46-F69 HydrophobicContact CG-CE2 3.7Å; K46-F69 HydrophobicContact CG-CG 3.77Å; K46-F69 HydrophobicContact CG-CZ 3.88Å; C49-F69 HydrophobicContact CB-CE2 4.39Å; V65-F69 HydrophobicContact CG1-CD2 3.84Å; V65-F69 HydrophobicContact CG1-CE2 3.93Å; V65-F69 WeakPolarHBondContact O-CD2 3.33Å; V65-F69 PolarHBondContact O-N 3.02Å; D66-F69 PolarHBondContact O-N 3.27Å; F69-I72 PolarHBondContact O-N 2.8Å; F69-S73 PolarHBondContact O-N 2.91Å; F69-S73 PolarHBondContact O-OG 3.03Å
70E85.3Confident78.4Confident113 Ų11361 Ų6153%0.52833%0.325SS..Hα-helixtrans-62.7-43.8169.5-177.4177-16500111.7D66 I72 S73 N74D66-E70 WeakPolarHBondContact O-CB 3.31Å; D66-E70 PolarHBondContact O-N 3.14Å; E70-I72 VanDerWaalsContact C-N 3.31Å; E70-I72 PolarHBondContact O-N 2.95Å; E70-S73 WeakPolarHBondContact CA-OG 3.49Å; E70-S73 PolarHBondContact O-N 2.64Å; E70-S73 PolarHBondContact O-OG 3.25Å; E70-N74 VanDerWaalsContact CG-ND2 3.3Å; E70-N74 WeakPolarHBondContact CG-ND2 3.46Å; E70-N74 VanDerWaalsContact O-CB 3.24Å; E70-N74 WeakPolarHBondContact O-CB 3.32Å; E70-N74 VanDerWaalsContact O-CG 3.24Å; E70-N74 PolarHBondContact O-N 2.91Å
71A82.5Confident76.5Confident2 Ų261.4 Ų61.42%0.01734%0.336CS..Hα-helixtrans-64.5-36.8176.600000111.9W12 K67 L68 K75 S76 Y77W12-A71 HydrophobicContact CH2-CB 3.68Å; W12-A71 HydrophobicContact CZ2-CB 3.55Å; W12-A71 HydrophobicContact CZ3-CB 4.21Å; K67-A71 VanDerWaalsContact O-CB 3.23Å; K67-A71 WeakPolarHBondContact O-CB 3.28Å; K67-A71 PolarHBondContact O-N 3.04Å; L68-A71 PolarHBondContact O-N 2.89Å; A71-K75 CarbonylContact O-C 3.54Å; A71-K75 VanDerWaalsContact O-CA 3.23Å; A71-K75 WeakPolarHBondContact O-CA 3.34Å; A71-K75 PolarHBondContact O-N 2.91Å; A71-S76 WeakPolarHBondContact CA-OG 3.29Å; A71-S76 PolarHBondContact O-N 2.95Å; A71-Y77 VanDerWaalsContact O-CD1 3.3Å; A71-Y77 WeakPolarHBondContact O-CD1 3.4Å
72I82.8Confident74.1Confident11 Ų1170.9 Ų70.96%0.05638%0.38CS..Hα-helixtrans-67.4-42.6174.1-70.1161.2000111.4M1 L9 V36 L68 F69 E70M1-I72 HydrophobicContact CB-CG2 4.5Å; M1-I72 HydrophobicContact SD-CG2 3.91Å; L9-I72 HydrophobicContact CD1-CG1 4.25Å; L9-I72 HydrophobicContact CD2-CG1 4.41Å; V36-I72 HydrophobicContact CG1-CD1 3.78Å; V36-I72 HydrophobicContact CG2-CD1 4.23Å; L68-I72 HydrophobicContact CD1-CD1 3.62Å; L68-I72 HydrophobicContact CD1-CG1 4.23Å; L68-I72 HydrophobicContact CG-CD1 3.94Å; L68-I72 WeakPolarHBondContact O-CB 3.45Å; L68-I72 WeakPolarHBondContact O-CD1 3.21Å; L68-I72 VanDerWaalsContact O-CG1 3.25Å; L68-I72 WeakPolarHBondContact O-CG1 3.28Å; L68-I72 PolarHBondContact O-N 3.01Å; F69-I72 PolarHBondContact O-N 2.8Å; E70-I72 VanDerWaalsContact C-N 3.31Å; E70-I72 PolarHBondContact O-N 2.95Å
73S79.8Confident71.5Confident74 Ų7474.2 Ų74.252%0.51740%0.396SS..Hα-helixtrans-69.2-42178.564.40000112.5F69 E70 K75F69-S73 PolarHBondContact O-N 2.91Å; F69-S73 PolarHBondContact O-OG 3.03Å; E70-S73 WeakPolarHBondContact CA-OG 3.49Å; E70-S73 PolarHBondContact O-N 2.64Å; E70-S73 PolarHBondContact O-OG 3.25Å; S73-K75 VanDerWaalsContact C-N 3.34Å
74N79.5Confident69Low101 Ų10177.5 Ų77.554%0.5442%0.417SS..Hα-helixtrans-87.5-6.9-175.5-59.6-7.7000112.5E70 S76E70-N74 VanDerWaalsContact CG-ND2 3.3Å; E70-N74 WeakPolarHBondContact CG-ND2 3.46Å; E70-N74 VanDerWaalsContact O-CB 3.24Å; E70-N74 WeakPolarHBondContact O-CB 3.32Å; E70-N74 VanDerWaalsContact O-CG 3.24Å; E70-N74 PolarHBondContact O-N 2.91Å; N74-S76 PolarHBondContact O-N 3.49Å
75K76.4Confident66.4Low97 Ų9786.3 Ų86.342%0.42246%0.459SS..THydrogen-bonded Turntrans57.123.1-176.2-50.8-174.6-180-166.50114.5D4 A71 S73 Y77 L78D4-K75 IonicContact OD1-NZ 2.77Å; D4-K75 WeakPolarHBondContact OD2-CD 3.25Å; D4-K75 VanDerWaalsContact OD2-CE 3.32Å; D4-K75 WeakPolarHBondContact OD2-CE 3.29Å; D4-K75 IonicContact OD2-NZ 2.73Å; D4-K75 PolarHBondContact OD2-NZ 3.01Å; A71-K75 CarbonylContact O-C 3.54Å; A71-K75 VanDerWaalsContact O-CA 3.23Å; A71-K75 WeakPolarHBondContact O-CA 3.34Å; A71-K75 PolarHBondContact O-N 2.91Å; S73-K75 VanDerWaalsContact C-N 3.34Å; K75-Y77 HydrophobicContact CB-CE1 4.47Å; K75-Y77 PolarHBondContact O-N 3.24Å; K75-Y77 VanDerWaalsContact O-N 3.15Å; K75-L78 HydrophobicContact CB-CD1 4.02Å; K75-L78 HydrophobicContact CB-CG 4.41Å; K75-L78 WeakPolarHBondContact O-CB 3.39Å; K75-L78 WeakPolarHBondContact O-CG 3.48Å; K75-L78 PolarHBondContact O-N 3.15Å
76S65.6Low63.7Low72 Ų7292.8 Ų92.850%0.50350%0.498SS..THydrogen-bonded Turntrans-71-5.6-176.853.90000114.4A71 N74 L78A71-S76 WeakPolarHBondContact CA-OG 3.29Å; A71-S76 PolarHBondContact O-N 2.95Å; N74-S76 PolarHBondContact O-N 3.49Å; S76-L78 PolarHBondContact O-N 2.81Å
77Y71.4Confident61Low10 Ų1098.2 Ų98.24%0.03952%0.517CS..THydrogen-bonded Turntrans-74.4-4.4165.867.6-93000113.3I3 D4 N5 A8 L9 A71 K75I3-Y77 HydrophobicContact CG2-CE2 4.36Å; D4-Y77 PolarHBondContact N-OH 2.86Å; N5-Y77 HydrophobicContact CB-CE2 4.39Å; N5-Y77 WeakPolarHBondContact O-CE2 3.3Å; A8-Y77 HydrophobicContact CB-CD2 4.17Å; A8-Y77 WeakPolarHBondContact CB-O 3.43Å; L9-Y77 HydrophobicContact CB-CD2 3.83Å; L9-Y77 HydrophobicContact CB-CE2 4.19Å; L9-Y77 HydrophobicContact CB-CG 4.21Å; L9-Y77 HydrophobicContact CD1-CD1 4.01Å; L9-Y77 HydrophobicContact CD1-CD2 4.35Å; L9-Y77 HydrophobicContact CD1-CG 3.86Å; A71-Y77 VanDerWaalsContact O-CD1 3.3Å; A71-Y77 WeakPolarHBondContact O-CD1 3.4Å; K75-Y77 HydrophobicContact CB-CE1 4.47Å; K75-Y77 PolarHBondContact O-N 3.24Å; K75-Y77 VanDerWaalsContact O-N 3.15Å
78L74Confident58.2Low51 Ų5198.9 Ų98.927%0.26753%0.531SS..SBendtrans-89.6133.8173.6-61179.9000110.5N5 A8 K75 S76 L80N5-L78 HydrophobicContact CB-CD2 3.72Å; N5-L78 WeakPolarHBondContact ND2-CD2 3.38Å; A8-L78 HydrophobicContact CB-CD2 4.3Å; K75-L78 HydrophobicContact CB-CD1 4.02Å; K75-L78 HydrophobicContact CB-CG 4.41Å; K75-L78 WeakPolarHBondContact O-CB 3.39Å; K75-L78 WeakPolarHBondContact O-CG 3.48Å; K75-L78 PolarHBondContact O-N 3.15Å; S76-L78 PolarHBondContact O-N 2.81Å; L78-L80 PolarHBondContact O-N 3.27Å
79P59Low55.5Low112 Ų112107.7 Ų107.773%0.72757%0.573SS**PPolyproline II helixtrans-64.3123.3171.627.3-33.3000109.8
80L41.1Very low52.7Low157 Ų157115.8 Ų115.882%0.82261%0.608SS**PPolyproline II helixtrans-65.5132.8176-145.576.5000109.1L78 E82L78-L80 PolarHBondContact O-N 3.27Å; L80-E82 PolarHBondContact O-N 3.12Å
81P39.3Very low49.9Very low112 Ų112119.8 Ų119.873%0.72763%0.627SS**PPolyproline II helixtrans-65.1119174.526.1-33.5000109.7Q83P81-Q83 PolarHBondContact O-N 3.19Å; P81-Q83 VanDerWaalsContact O-N 3.16Å
82E32.4Very low47.2Very low199 Ų199125 Ų12593%0.9365%0.651SS**PPolyproline II helixtrans-58.3118.5-178.5-72-174.1105.400111.7L80L80-E82 PolarHBondContact O-N 3.12Å
83Q28.8Very low44.5Very low169 Ų169132.3 Ų132.379%0.7968%0.684SS**  trans-104.7142154.3-69.4-162.90.700108.9P81 Q85P81-Q83 PolarHBondContact O-N 3.19Å; P81-Q83 VanDerWaalsContact O-N 3.16Å; Q83-Q85 PolarHBondContact O-N 3.01Å; Q83-Q85 VanDerWaalsContact O-N 3.13Å
84P33.1Very low41.9Very low131 Ų131138.3 Ų138.385%0.85170%0.701SS**  trans-67.8112.9-171.426.8-34.7000111.4V86P84-V86 PolarHBondContact O-N 3.38Å
85Q31Very low39.4Very low190 Ų190141 Ų14189%0.88871%0.708SS**PPolyproline II helixtrans-79.5121.9-177.9-67.5-170.6-11.200112.3Q83Q83-Q85 PolarHBondContact O-N 3.01Å; Q83-Q85 VanDerWaalsContact O-N 3.13Å
86V29.7Very low37Very low137 Ų137141.5 Ų141.583%0.8372%0.716SS**PPolyproline II helixtrans-80.2134.9163.1176.70000108.5P84P84-V86 PolarHBondContact O-N 3.38Å
87K31.4Very low35.3Very low198 Ų198145.4 Ų145.486%0.86173%0.726SS**PPolyproline II helixtrans-77.1130.1177.4-63.1-176.5178-173.20111.6
88V27.7Very low33.2Very low138 Ų138150.8 Ų150.884%0.83675%0.754SS**  trans-137.3145.2153.9-177.50000106.8
89E28.6Very low31Very low186 Ų186156.1 Ų156.187%0.86978%0.778SS**  trans-95.3175.7-170.3-63.2-177.7137.400113.2
90K28.1Very low29.4Very low171 Ų171155.8 Ų155.874%0.74377%0.774SS**  trans-57.9150.4-177.4-81.8-174.3163.5-163.80113.9E92K90-E92 IonicContact NZ-OE2 2.7Å; K90-E92 PolarHBondContact NZ-OE2 2.96Å
91E25.6Very low28.7Very low197 Ų197155 Ų15592%0.92177%0.77SS**  -143.5169.6120.6-143.4168.2-152.700110.3
92E26.5Very low28.2Very low112 Ų112159.1 Ų159.152%0.52377%0.771SS.*  trans-124.6144.6-159.3-88.9-171.472.100116.5K90K90-E92 IonicContact NZ-OE2 2.7Å; K90-E92 PolarHBondContact NZ-OE2 2.96Å
93Q25.9Very low27.9Very low164 Ų164155.8 Ų155.877%0.76676%0.756SS**  trans54.4112.9149.5-60.517842.900120.7
94K24.9Very low27.9Very low201 Ų201154.8 Ų154.887%0.87475%0.751SS**  -158.6110.9117-129.9173.8-179.1177.40115.6
95K26.2Very low27.9Very low156 Ų156154.4 Ų154.468%0.67874%0.738SS**  35.4150.8129.1-135.7-174.5161.1-78.10121.8
96D27Very low27.9Very low109 Ų109152.6 Ų152.658%0.58373%0.727SS**  trans78138.5158.9-58.3-35.5000118.4
97E28.7Very low28Very low154 Ų154150.6 Ų150.672%0.7271%0.712SS**  cis-161.9173.2-27.6-137.3-168.9123.900110.2
98I28.4Very low28Very low123 Ų123149.3 Ų149.363%0.63171%0.706SS**  trans6399.3153.7-64.2168.1000120.1
99Q26.9Very low28.1Very low162 Ų162152.1 Ų152.176%0.75771%0.707SS**  61130.1122-61.8-177.9500124.7
100T26.3Very low27.8Very low106 Ų106152.4 Ų152.465%0.6571%0.706SS**  trans83.2116.9131.453.40000123.4
101N25.3Very low28.9Very low140 Ų140149.4 Ų149.475%0.74970%0.704SS**  78.3112.9122.4-69.6-14.2000122.3
102R29.8Very low29.3Very low198 Ų198151.2 Ų151.275%0.74770%0.702SS**  97.4131.7102.8-175.1169.7-169-156.5-7119.8
103E26.1Very low29.5Very low130 Ų130155.3 Ų155.361%0.60771%0.713SS**  trans24.5147.2140.8-57.8158.2-154.900120.3
104E29Very low29.8Very low148 Ų148153.5 Ų153.569%0.69271%0.713SS**  cis-166.6167.42.3-123-178.5136.600112.4
105E32.1Very low30Very low122 Ų122148.4 Ų148.457%0.5770%0.695SS**  trans57.4146.2142.9-76.8-155110.900125.9
106K31.7Very low30Very low152 Ų152148.4 Ų148.466%0.66170%0.697SS**  trans75.9145.4141-81.1167.9177.71370118.3
107D32.6Very low29.9Very low96 Ų96147.9 Ų147.951%0.51370%0.702SS.*  cis-163.2157.17-139.9-34.6000115.3
108K31.3Very low30.6Very low171 Ų171145.4 Ų145.474%0.74370%0.7SS**  trans60.7154.4162.9-66.7131.1-165.2156.10117.2
109K28.5Very low30.6Very low197 Ų197146.7 Ų146.786%0.85771%0.707SS**  cis-153.3134.518.6-150.5166.8-174.81740112.6
110F23.4Very low30.5Very low192 Ų192147.2 Ų147.284%0.84271%0.71SS**  trans-79.6154.2171.1-101.2-89.7000112.6
111P49.8Very low30.4Very low108 Ų108147.2 Ų147.270%0.70171%0.714SS**  -132.4171.896.111.210.7000112.7
112R34.3Very low30.3Very low235 Ų235145.6 Ų145.689%0.88771%0.713SS**  cis-175.8146.8-23.5-102.5173.8-179.7-179.4-0.8104.8
113R30.7Very low30.2Very low197 Ų197140.9 Ų140.974%0.74371%0.711SS**  cis-155-40.9-6.8169.2-161.1149.5154.4-0.1112.4N115R113-N115 PolarHBondContact NE-OD1 3.17Å; R113-N115 PolarHBondContact NH2-OD1 3.28Å
114V33.2Very low30.3Very low126 Ų126143.9 Ų143.976%0.76472%0.717SS**  -119.3134.5-12465.70000113.4
115N28.6Very low30.1Very low95 Ų95147 Ų14751%0.50872%0.724SS.*  cis-131.8-96.8-14.1-154.545.7000109.2R113R113-N115 PolarHBondContact NE-OD1 3.17Å; R113-N115 PolarHBondContact NH2-OD1 3.28Å
116H26.6Very low29.9Very low155 Ų155144.5 Ų144.572%0.71873%0.73SS**  cis-141.6149.4-39.8-142.1-60.4000109.7
117S25.7Very low29.6Very low98 Ų98147.5 Ų147.569%0.68574%0.737SS**  trans-152.1-158.4169.8-38.60000108.1
118P42.7Very low29.4Very low103 Ų103146.2 Ų146.267%0.66973%0.731SS**  cis-154.616928.246.9-25.3000121.1
119L27.7Very low29.3Very low149 Ų149140.5 Ų140.578%0.7872%0.72SS**  trans67.5164.9147.6-67.4157.9000119
120Q25.4Very low29.5Very low174 Ų174134 Ų13481%0.81369%0.69SS**  cis-142.6-169.48.1-150147.858.200113.6
121S23.6Very low29.9Very low105 Ų105128 Ų12873%0.73466%0.662SS**  trans-149.7160.6-162.3-175.90000116.2
122S24.5Very low29.2Very low107 Ų107124.8 Ų124.875%0.74865%0.648SS**  trans99123.714882.20000122.6
123S26.5Very low29.1Very low99 Ų99116.3 Ų116.369%0.69262%0.621SS**  58.2126.3125-1650000122.9
124R27.7Very low29.3Very low193 Ų193111.7 Ų111.773%0.72861%0.611SS**  166.3132118.3-90.6163.1-157.7-104.66.7115.4
125Y26.1Very low29.4Very low214 Ų214108.7 Ų108.784%0.83959%0.585SS**  trans56.3159.6160.6-46.7-58000118.3
126G26.8Very low29.8Very low69 Ų69113.1 Ų113.171%0.71160%0.6SS**  cis162172.9-11.100000113.1
127R26.1Very low30.1Very low214 Ų214113.2 Ų113.281%0.80859%0.594SS**  trans86146.8165.4-170.5166.6-73-139.6-3.5120.6
128D28.1Very low30.5Very low70 Ų70112.1 Ų112.137%0.37458%0.581SS.*  trans-42.5161.9168.2-54.9-111.2000116.3Q790D128-Q790 PolarHBondContact OD1-NE2 2.92Å; D128-Q790 VanDerWaalsContact OD1-NE2 3.08Å
129G29.3Very low29.9Very low50 Ų50112.8 Ų112.852%0.51558%0.579SS.*  cis115.8155.87.500000113.2
130R32.9Very low30.4Very low61 Ų61111.4 Ų111.423%0.2356%0.563CS.*  trans68.8164.8-171.4-45.4179.6-103-166.9-4.8112.9L747 H750 I751 Q790R130-L747 HydrophobicContact CG-CD1 4.43Å; R130-L747 PolarHBondContact NH1-O 2.86Å; R130-H750 VanDerWaalsContact NH1-C 3.28Å; R130-H750 PolarHBondContact NH1-O 3.24Å; R130-I751 HydrophobicContact CB-CD1 4.36Å; R130-I751 VanDerWaalsContact NH1-CA 3.25Å; R130-Q790 HydrophobicContact CG-CG 3.79Å
131R31.4Very low30.6Very low66 Ų66109 Ų10925%0.24957%0.565CS.*  cis-151.1155.2-6.5-158.7128.4-68.5-74.2-26.7104.6Q744 L747R131-Q744 PolarHBondContact NH1-O 2.91Å; R131-L747 VanDerWaalsContact CZ-CG 3.43Å; R131-L747 VanDerWaalsContact NH2-CG 3.31Å
132G35.7Very low31.5Very low40 Ų40108.6 Ų108.641%0.41255%0.548SS..  cis109.4131.910.400000110.7
133D32.9Very low31.8Very low58 Ų58112.6 Ų112.631%0.3155%0.552SS.*  trans66.1162.3179.7-106.610.1000116.9R135 K741 Q744D133-R135 IonicContact OD1-CZ 3.2Å; D133-R135 IonicContact OD1-NH1 2.81Å; D133-R135 PolarHBondContact OD1-NH1 3.43Å; D133-R135 IonicContact OD1-NH2 2.74Å; D133-R135 PolarHBondContact OD1-NH2 3.05Å; D133-R135 IonicContact OD2-NH1 2.75Å; D133-K741 VanDerWaalsContact OD2-CA 3.26Å; D133-K741 WeakPolarHBondContact OD2-CA 3.27Å; D133-Q744 HydrophobicContact CB-CB 3.82Å; D133-Q744 HydrophobicContact CB-CG 4.5Å; D133-Q744 VanDerWaalsContact CG-NE2 3.29Å; D133-Q744 PolarHBondContact OD1-NE2 3.26Å; D133-Q744 WeakPolarHBondContact OD2-CB 3.41Å
134D33.9Very low32.2Very low100 Ų100114.2 Ų114.254%0.53554%0.543SS..  cis-144.41684.6-153-5000115K741D134-K741 WeakPolarHBondContact OD1-CE 3.49Å; D134-K741 IonicContact OD1-NZ 2.63Å; D134-K741 PolarHBondContact OD1-NZ 3.47Å; D134-K741 IonicContact OD2-NZ 3.71Å; D134-K741 PolarHBondContact OD2-NZ 3.32Å
135R35.8Very low32.5Very low62 Ų62106.8 Ų106.823%0.23452%0.518CS..  trans-100.8145-177.1-45.1153.8-150.769.614.1111.2D133 Q737 R740 K741 Q744D133-R135 IonicContact OD1-CZ 3.2Å; D133-R135 IonicContact OD1-NH1 2.81Å; D133-R135 PolarHBondContact OD1-NH1 3.43Å; D133-R135 IonicContact OD1-NH2 2.74Å; D133-R135 PolarHBondContact OD1-NH2 3.05Å; D133-R135 IonicContact OD2-NH1 2.75Å; R135-Q737 PolarHBondContact NE-O 2.78Å; R135-R740 VanDerWaalsContact NH2-CB 3.33Å; R135-K741 VanDerWaalsContact NH1-CA 3.32Å; R135-K741 PolarHBondContact O-NZ 3.48Å; R135-Q744 VanDerWaalsContact NH2-NE2 3.17Å
136K35.8Very low32.8Very low188 Ų188106.1 Ų106.182%0.81752%0.515SS*.  trans-164.3155.1143-100.9-175.1173.81750109
137R34.7Very low33Very low157 Ų157107 Ų10759%0.59250%0.504SS*.  cis176.5135.4-25.1156.8-172.3-110-104.116.1108.2R734R137-R734 VanDerWaalsContact NH1-NH2 3.16Å
138D32.6Very low33.2Very low76 Ų76105.6 Ų105.641%0.40650%0.498SS..  trans61.3166162.9-63.6-28.1000116.3R734D138-R734 IonicContact OD1-CZ 2.72Å; D138-R734 IonicContact OD1-NH1 2.77Å; D138-R734 PolarHBondContact OD1-NH1 2.84Å; D138-R734 IonicContact OD1-NH2 3.68Å; D138-R734 PolarHBondContact OD1-NH2 2.8Å; D138-R734 IonicContact OD2-CZ 2.77Å; D138-R734 IonicContact OD2-NH1 3.15Å; D138-R734 IonicContact OD2-NH2 3.74Å; D138-R734 PolarHBondContact OD2-NH2 2.95Å
139D30.5Very low33.5Very low117 Ų117110.5 Ų110.563%0.62652%0.521SS*.  cis-131.2-178.1-4.5-138.3-55.3000113.3
140R37.8Very low34.2Very low120 Ų120113.6 Ų113.645%0.45353%0.532SS..  trans-94.9163.2-159-50.7143.2178.2102.6-13.9113.2
141S29.1Very low34.8Very low122 Ų122115.3 Ų115.385%0.85355%0.551SS**  -137.7163.7124.8-166.40000110.6
142R44Very low34.9Very low97 Ų97123 Ų12337%0.36658%0.58SS.*  trans-153.4128.8-177.6-63.8-172.2-172.5125.2-21.4112.7
143K29.5Very low35Very low191 Ų191131.7 Ų131.783%0.8360%0.6SS**  trans-175.9151.7156.5-103.6160.6177176.90108.8
144R36.4Very low35.3Very low133 Ų133135.2 Ų135.250%0.50262%0.619SS.*  cis-162.3150.8-28.5174.2177.1-70.5-103.5-8.9109.3E723R144-E723 IonicContact CZ-OE1 3.54Å; R144-E723 IonicContact CZ-OE2 3.03Å; R144-E723 IonicContact NE-OE1 3.7Å; R144-E723 VanDerWaalsContact NH1-CD 3.29Å; R144-E723 IonicContact NH1-OE1 3.07Å; R144-E723 IonicContact NH1-OE2 2.9Å; R144-E723 PolarHBondContact NH1-OE2 3.34Å; R144-E723 IonicContact NH2-OE1 3.73Å; R144-E723 PolarHBondContact NH2-OE1 2.85Å; R144-E723 IonicContact NH2-OE2 2.91Å; R144-E723 PolarHBondContact NH2-OE2 3.33Å
145D32.7Very low35.4Very low38 Ų38135.7 Ų135.720%0.20363%0.63CS.*  trans-31132.5172.7-59.6-114.6000119.9Q719 S722D145-Q719 HydrophobicContact CB-CG 4.3Å; D145-Q719 PolarHBondContact O-NE2 2.66Å; D145-Q719 VanDerWaalsContact O-NE2 3.15Å; D145-S722 PolarHBondContact OD1-OG 3.01Å
146Y32.4Very low35.6Very low199 Ų199142.6 Ų142.678%0.7866%0.658SS**  trans52.7143.3138.5-69.5-94.7000120.2
147D31.8Very low35.9Very low89 Ų89144.5 Ų144.548%0.47666%0.659SS.*  -173.5152.259-140.9-73.2000113.5R715D147-R715 IonicContact OD1-NH2 2.62Å; D147-R715 PolarHBondContact OD1-NH2 3.42Å; D147-R715 IonicContact OD2-CZ 2.64Å; D147-R715 IonicContact OD2-NH2 3.66Å; D147-R715 PolarHBondContact OD2-NH2 2.84Å
148R30.1Very low36.1Very low184 Ų184142.9 Ų142.969%0.69466%0.663SS**  trans77.696.1143.9-153.1160-67.7-148.2-10.9123.9
149M34.8Very low36.4Very low172 Ų172149.7 Ų149.785%0.84768%0.683SS**  trans47.4131.6134-72.6-67.4-179.300122.4
150P42.7Very low36.6Very low116 Ų116154.4 Ų154.475%0.75369%0.693SS**  -144.1157.1112.139.4-27.3000115.9
151P45.3Very low36.8Very low96 Ų96155.5 Ų155.562%0.62371%0.708SS**  trans-83.7160.6168.635.9-35.6000112.3
152R35.5Very low37.2Very low229 Ų229160.9 Ų160.986%0.86471%0.71SS**  trans169.598.9152.3-83.2-129.9-175164.73113.4E985R152-E985 WeakPolarHBondContact CA-OE2 3.36Å; R152-E985 PolarHBondContact N-OE2 2.76Å
153R36.8Very low36.8Very low222 Ų222167.7 Ų167.784%0.83874%0.735SS**  trans-93.575.3154.1-172.9177.3-99.8-120-1.8113.3E985R153-E985 WeakPolarHBondContact CB-OE1 3.45Å; R153-E985 PolarHBondContact N-OE1 3.29Å; R153-E985 PolarHBondContact N-OE2 3.37Å
154D38.9Very low36.9Very low132 Ų132170.3 Ų170.371%0.70674%0.74SS**  trans-147108157.2-161.81.4000112.5
155S35.8Very low36.6Very low109 Ų109167.3 Ų167.376%0.76275%0.751SS**  trans-157.70.3-179.765.30000115.5
156Y39.6Very low36.7Very low208 Ų208177.4 Ų177.482%0.81679%0.786SS**SBendtrans-92.8-5.7-170.4-122.5-86.6000115.3
157R42.5Very low36.5Very low227 Ų227173.3 Ų173.386%0.85779%0.786SS**SBendtrans-94-18.7-171-141171.9-170.3176.42.8115.7R159R157-R159 PolarHBondContact O-N 3.16Å
158D38.8Very low36.2Very low123 Ų123179.6 Ų179.666%0.65881%0.805SS**THydrogen-bonded Turntrans-82.8-8.2-171.2-106.8-60000116.3Y160D158-Y160 VanDerWaalsContact C-N 3.29Å; D158-Y160 PolarHBondContact O-N 2.93Å
159R39.4Very low36.4Very low220 Ų220175.3 Ų175.383%0.8380%0.803SS**THydrogen-bonded Turntrans-75.6-10.3-168.4-162.8165.2-73-174.3-0.6114.7R157R157-R159 PolarHBondContact O-N 3.16Å
160Y35.3Very low36.7Very low215 Ų215172.6 Ų172.684%0.84380%0.798SS**SBendtrans-102.2-24-171.9-103.2-89.3000116.7D158 R162D158-Y160 VanDerWaalsContact C-N 3.29Å; D158-Y160 PolarHBondContact O-N 2.93Å; Y160-R162 PolarHBondContact O-N 3.39Å
161N40.8Very low36Very low144 Ų144172.5 Ų172.577%0.7780%0.801SS**SBendtrans-82.1-14.1-170.1-75.5-14000115.1R163N161-R163 VanDerWaalsContact C-N 3.26Å; N161-R163 PolarHBondContact O-N 3.49Å
162R38Very low35.1Very low235 Ų235180.2 Ų180.289%0.88782%0.817SS**SBendtrans-83.239.3-168-150.5-178.4-64.6-169.30.2114.9Y160Y160-R162 PolarHBondContact O-N 3.39Å
163R35.1Very low34.8Very low239 Ų239174.1 Ų174.190%0.90281%0.809SS**  trans-141.728.1-172.1-139.6177.4-154.8-88.6-3.9118N161N161-R163 VanDerWaalsContact C-N 3.26Å; N161-R163 PolarHBondContact O-N 3.49Å
164R32.5Very low34.3Very low247 Ų247175.3 Ų175.393%0.93281%0.814SS**SBendtrans-138.196.8173.2-153.1177.7-158.7-141.53.5112.2
165G30.6Very low33.9Very low70 Ų70173.6 Ų173.672%0.72281%0.813SS**  trans74.4165.6176.800000115.8
166R33.3Very low33.4Very low250 Ų250179.8 Ų179.894%0.94382%0.819SS**  cis50.1122.9-7.2-65.2-171.1179.3-135.8-1.8116.6
167S28.6Very low33Very low112 Ų112174.3 Ų174.378%0.78381%0.811SS**  cis-161.6-179.820.944.90000112.5
168Y26Very low32.1Very low221 Ų221175.2 Ų175.287%0.86782%0.815SS**  trans99.4134.2161-150.5-110.1000116.9
169S33.9Very low31.7Very low95 Ų95173.4 Ų173.466%0.66481%0.812SS**  trans-109.7163.5175-44.50000108.5
170P40.7Very low31.1Very low115 Ų115171.2 Ų171.275%0.74781%0.808SS**  -152.5158.993.736.3-17.2000118.1
171S28.7Very low30.7Very low114 Ų114167.1 Ų167.180%0.79780%0.797SS**  trans-18.9146.3158.5-42.10000120.9
172R26.9Very low30.1Very low257 Ų257170.5 Ų170.597%0.9780%0.799SS**  -154.7156.1109.8-149.5161.2-175.2157.90.9112.6
173S28.8Very low30.1Very low101 Ų101166.7 Ų166.771%0.70680%0.795SS**  trans-110.4157.7-163.6-26.80000114.3
174R26.6Very low30.4Very low247 Ų247164.9 Ų164.993%0.93279%0.788SS**  trans-146136.7139.7-153.3170.7-175.895.3-5109.9
175S29.1Very low30.7Very low97 Ų97159 Ų15968%0.67878%0.775SS**  trans-130.3153.4-164.3-40.40000112
176R26.4Very low31Very low239 Ų239166.4 Ų166.490%0.90278%0.781SS**  trans176.6143.6148.4-96.3148.7-175.7-174.90109.9
177S30.6Very low31.5Very low93 Ų93161.1 Ų161.165%0.6577%0.772SS**  cis-179.6162.1-30.638.40000109.9
178W24.7Very low32.1Very low245 Ų245164.1 Ų164.193%0.92877%0.766SS**  trans70.9140.7166-114.6-96.4000117.1
179S29.3Very low32.7Very low86 Ų86160.6 Ų160.660%0.60176%0.757SS**  cis-154.3148.8-3261.50000107.5
180K26.5Very low33.2Very low173 Ų173165 Ų16575%0.75276%0.759SS**  47.3129.276.1-112.6-170.3175.8-138.20112.1
181E27.6Very low33.3Very low130 Ų130166.6 Ų166.661%0.60776%0.757SS**  cis-150.1168.718.8-143.9151-123.700107.8
182R28.4Very low34.1Very low214 Ų214170 Ų17081%0.80875%0.752SS**  180-178.360.3-165.4172-74.4160.2-3.1109.9
183I37.9Very low34.9Very low156 Ų156162.6 Ų162.680%0.873%0.732SS**  trans75.287.1172.8-48.7179.7000114.3
184R40.9Very low35.9Very low200 Ų200164.6 Ų164.676%0.75572%0.724SS**  trans-71160.9144.3-63.7169.6170.2140.1-4.2108.5
185D38.3Very low36.7Very low124 Ų124159.3 Ų159.366%0.66371%0.71SS**  163-11.6113.4-81.9-32.8000114.3R188D185-R188 IonicContact OD1-NH1 3.1Å
186R38.3Very low37.4Very low225 Ų225161.3 Ų161.385%0.84970%0.702SS**G310 helixtrans-79.5-18.6-177.7-165.1168.9-78.2176.5-4.4115.5R188R186-R188 VanDerWaalsContact C-N 3.31Å; R186-R188 PolarHBondContact O-N 3.35Å
187D42.3Very low38.4Very low140 Ų140154.4 Ų154.475%0.74968%0.684SS**G310 helixtrans-73.1-13.3-174.3-67.5-58.1000115.7E189D187-E189 VanDerWaalsContact C-N 3.32Å; D187-E189 PolarHBondContact O-N 3.44Å
188R42.3Very low39.2Very low175 Ų175158 Ų15866%0.6668%0.683SS**G310 helixtrans-76.5-9.8-174.3-80.6-164.6175.1105.6-4.5115.9D185 R186D185-R188 IonicContact OD1-NH1 3.1Å; R186-R188 VanDerWaalsContact C-N 3.31Å; R186-R188 PolarHBondContact O-N 3.35Å
189E38.7Very low40.1Very low147 Ų147150.6 Ų150.669%0.68766%0.661SS**SBendtrans-84.8-35.1174.5-62.5-165.2118.200111.8D187 E191 R192D187-E189 VanDerWaalsContact C-N 3.32Å; D187-E189 PolarHBondContact O-N 3.44Å; E189-E191 PolarHBondContact O-N 2.98Å; E189-E191 VanDerWaalsContact O-N 3.11Å; E189-R192 PolarHBondContact O-N 2.7Å
190R44.7Very low40.8Very low187 Ų187155 Ų15571%0.70667%0.665SS**THydrogen-bonded Turntrans-76.1-0.2-169.9-131.8178.8-175.4-170.43.6115.7R194R190-R194 PolarHBondContact O-NH1 3.46Å
191E43.1Very low41.7Very low149 Ų149153.6 Ų153.670%0.69667%0.666SS**THydrogen-bonded Turntrans-88.2-34.7165.6-74-167.2122.300112.7E189 D193 R194 E195E189-E191 PolarHBondContact O-N 2.98Å; E189-E191 VanDerWaalsContact O-N 3.11Å; E191-D193 PolarHBondContact O-N 3.35Å; E191-R194 PolarHBondContact O-N 2.88Å; E191-E195 PolarHBondContact O-N 3.34Å
192R45Very low42.5Very low186 Ų186154.7 Ų154.770%0.70266%0.664SS**Hα-helixtrans-64.4-35-169.8-77.3-178.2170.2168.3-1.5114E189 R196E189-R192 PolarHBondContact O-N 2.7Å; R192-R196 PolarHBondContact O-N 2.88Å
193D43.2Very low42.9Very low101 Ų101150.1 Ų150.154%0.5466%0.656SS.*Hα-helixtrans-75.3-28.3176.7-64.7-42000112.4E191 E195 R196E191-D193 PolarHBondContact O-N 3.35Å; D193-E195 VanDerWaalsContact C-N 3.3Å; D193-E195 PolarHBondContact O-N 3.23Å; D193-R196 PolarHBondContact O-N 3.5Å
194R49.2Very low43.1Very low143 Ų143153.8 Ų153.854%0.5466%0.66SS.*Hα-helixtrans-78.6-9179.4-67.7-170.8175.1105.1-10.1114.4R190 E191 R198R190-R194 PolarHBondContact O-NH1 3.46Å; E191-R194 PolarHBondContact O-N 2.88Å; R194-R198 PolarHBondContact O-NH1 2.89Å
195E44Very low43.1Very low135 Ų135150.5 Ų150.563%0.63166%0.657SS**Hα-helixtrans-89.9-39.8163.6-66.8-162.9123.500111.6E191 D193 D197 R198E191-E195 PolarHBondContact O-N 3.34Å; D193-E195 VanDerWaalsContact C-N 3.3Å; D193-E195 PolarHBondContact O-N 3.23Å; E195-D197 VanDerWaalsContact C-N 3.27Å; E195-D197 PolarHBondContact O-N 3.15Å; E195-D197 VanDerWaalsContact O-N 3.12Å; E195-R198 PolarHBondContact O-N 2.97Å
196R44.8Very low42.9Very low139 Ų139154.2 Ų154.253%0.52566%0.662SS.*Hα-helixtrans-55.9-34.5-173.4-175.5170.1-71-172.22.2114.5R192 D193R192-R196 PolarHBondContact O-N 2.88Å; D193-R196 PolarHBondContact O-N 3.5Å
197D45.8Very low42.6Very low95 Ų95148 Ų14851%0.50865%0.653SS.*Hα-helixtrans-89.3-15.5177.2-71.6-40.3000114.4E195 D199 R200E195-D197 VanDerWaalsContact C-N 3.27Å; E195-D197 PolarHBondContact O-N 3.15Å; E195-D197 VanDerWaalsContact O-N 3.12Å; D197-D199 VanDerWaalsContact C-N 3.34Å; D197-R200 IonicContact OD1-NH1 3.3Å; D197-R200 PolarHBondContact OD1-NH1 2.95Å
198R48.9Very low42.2Very low167 Ų167152.8 Ų152.863%0.6366%0.66SS**Hα-helixtrans-76-21.5175.6-72.9-170177.6115.5-10.2113.8R194 E195R194-R198 PolarHBondContact O-NH1 2.89Å; E195-R198 PolarHBondContact O-N 2.97Å
199D42.3Very low41.6Very low90 Ų90150 Ų15048%0.48167%0.668SS.*Hα-helixtrans-87.7-24.5179.7-72.9-28.5000113.5D197 D201 R202D197-D199 VanDerWaalsContact C-N 3.34Å; D199-D201 VanDerWaalsContact C-N 3.33Å; D199-D201 PolarHBondContact O-N 3.26Å; D199-R202 PolarHBondContact O-N 2.96Å
200R45.6Very low41.2Very low179 Ų179154.8 Ų154.868%0.67568%0.679SS**Hα-helixtrans-58.8-40.5176.6-87.8-177171.5135.4-11.1113.3D197 R202D197-R200 IonicContact OD1-NH1 3.3Å; D197-R200 PolarHBondContact OD1-NH1 2.95Å; R200-R202 VanDerWaalsContact C-N 3.34Å
201D44.5Very low40.3Very low144 Ų144150.5 Ų150.577%0.7768%0.678SS**THydrogen-bonded Turntrans-81.6-10.7-179-78.2-34.4000113.8D199D199-D201 VanDerWaalsContact C-N 3.33Å; D199-D201 PolarHBondContact O-N 3.26Å
202R44.3Very low39.7Very low153 Ų153150.8 Ų150.858%0.57768%0.684SS**THydrogen-bonded Turntrans-92.2-26.8-174.3-169.8170.5-75.2158.3-3.3114.1D199 R200D199-R202 PolarHBondContact O-N 2.96Å; R200-R202 VanDerWaalsContact C-N 3.34Å
203D37.9Very low38.9Very low117 Ų117146.3 Ų146.363%0.62668%0.681SS**SBendtrans-85.2-17.9-176.9-82.8-21.3000114.5
204R42Very low38Very low234 Ų234152.7 Ų152.788%0.88370%0.697SS**THydrogen-bonded Turntrans-74.3-31.3-174.6-143.9169.4-158.2155.96.6114
205D39.2Very low37Very low130 Ų130151.4 Ų151.470%0.69571%0.705SS**THydrogen-bonded Turntrans-89.8-0.6-178.7-87-35.5000114.5
206R35.9Very low36.1Very low202 Ų202152.6 Ų152.676%0.76270%0.704SS**SBendtrans-99.3-11.2-178.4-109.7178.9178.7135.41.1116
207S32.1Very low35.2Very low95 Ų95149.8 Ų149.866%0.66471%0.706SS**SBendtrans-107.729-166.2-62.90000115
208R33.2Very low34.3Very low241 Ų241152.7 Ų152.791%0.90971%0.71SS**SBendtrans-150.348.4174.1-130.2169.9-164.8158.55.2117.6
209S30.3Very low33.1Very low116 Ų116149.5 Ų149.581%0.81171%0.713SS**  trans-167.185.5153.6-87.30000114.1
210R28.9Very low32.3Very low248 Ų248156.9 Ų156.994%0.93673%0.734SS**  trans-177.6104.3141.3-107.7169.5178.7172.8-0.6115.5
211S26.6Very low31.4Very low97 Ų97153.5 Ų153.568%0.67874%0.738SS**  trans-152.399.4137.9310000106
212L31Very low30.7Very low155 Ų155157.2 Ų157.281%0.81274%0.741SS**  70.6105.193.2-70.4163.9000110.7
213S27.5Very low29.9Very low91 Ų91155.5 Ų155.564%0.63674%0.744SS**  cis108156.842.562.50000110.7
214R24.8Very low29.7Very low235 Ų235160 Ų16089%0.88775%0.752SS**  trans89.3137.9-167.6-60.2180170.4177.2-3.6111.9
215T27.6Very low28.9Very low117 Ų117156.3 Ų156.372%0.71875%0.745SS**  cis-155.1152.1-1.31.50000112.8
216R25Very low28.7Very low159 Ų159155.4 Ų155.460%0.675%0.748SS**  27136.6121.8-162.2-175.6-145.3-152.81.1118.2P360 G361R216-P360 PolarHBondContact NH2-O 3.24Å; R216-G361 PolarHBondContact NE-O 3.34Å; R216-G361 PolarHBondContact NH1-O 3.32Å; R216-G361 PolarHBondContact NH2-O 3.24Å
217S26Very low28.3Very low81 Ų81149.6 Ų149.657%0.56675%0.751SS**  cis-179.5169.9-11.9-90.10000109.6
218R26Very low28.1Very low155 Ų155154.1 Ų154.159%0.58576%0.759SS**  trans70.2161.7156.3-76.3168.3167.8142.3-4.4117.4G361R218-G361 PolarHBondContact NH1-O 3.19Å
219S25.1Very low27.9Very low100 Ų100149.4 Ų149.470%0.69975%0.751SS**  cis-179.3161.3-34.1-93.10000110.1
220R24.7Very low27.7Very low245 Ų245151.5 Ų151.593%0.92575%0.745SS**  trans76138.1172.3-59.2167175.9157.9-3.9114.4
221S26.6Very low27.6Very low108 Ų108148.5 Ų148.576%0.75574%0.735SS**  cis111.61477.6-170.20000113.8
222R30.7Very low27.5Very low223 Ų223148.4 Ų148.484%0.84273%0.727SS**  trans78.7144.4-178.9-64.3-169.5161.3159.5-1.4115.6
223D26.4Very low27.6Very low117 Ų117148.5 Ų148.563%0.62672%0.723SS**  cis-150.7-168.6-4.7-130.5-60.4000113.1
224R33.5Very low27.8Very low210 Ų210150.4 Ų150.479%0.79272%0.722SS**  trans-23.3170.2167.3-74.5158.5179.6-176.2-1.8119.8
225E26.8Very low28.2Very low158 Ų158147.4 Ų147.474%0.73871%0.711SS**  cis-151.8178.831.1-163.565-119.900111.9
226S33.1Very low28.4Very low111 Ų111145.9 Ų145.978%0.77671%0.71SS**  trans-107.8151.7-17961.10000114.3
227G28.6Very low28.6Very low79 Ų79143.3 Ų143.381%0.81471%0.709SS**  trans-153.3161.2179.700000114.1
228K27.8Very low28.9Very low190 Ų190148.4 Ų148.483%0.82672%0.715SS**  trans-163.3159.8-165.6-159.8-175.5-177.2-178.30111.8
229L28.6Very low30.4Very low143 Ų143144.9 Ų144.975%0.74971%0.713SS**  trans74.5167.3170.6-41.6174.3000114.4
230K27.4Very low30.6Very low159 Ų159147.4 Ų147.469%0.69171%0.713SS**  cis-166.7157.11.5-144.1-178.6177.6-166.50111.5
231Y25Very low30.8Very low185 Ų185140.6 Ų140.673%0.72570%0.703SS**  trans61.8159.1144.2-97.6-138.8000120
232D26Very low31.1Very low95 Ų95139.6 Ų139.651%0.50870%0.701SS.*  cis-161.5175.2-17.6-136.7-148.5000113.6
233H32.4Very low31Very low158 Ų158136 Ų13673%0.73170%0.699SS**  trans5.2158157.3-77.3-42.5000124
234E31Very low31.3Very low131 Ų131136.6 Ų136.661%0.61271%0.706SS**  cis-146.6-174.31.8-127.1-155.2167.700108.6
235R34Very low31Very low171 Ų171136.5 Ų136.565%0.64571%0.708SS**  cis-137.8-132.88.7-158.3170.2165.866.124.4109.3D237R235-D237 IonicContact CZ-OD1 3Å; R235-D237 IonicContact NE-OD1 3.76Å; R235-D237 PolarHBondContact NE-OD1 3.18Å; R235-D237 IonicContact NH2-OD1 2.8Å; R235-D237 PolarHBondContact NH2-OD1 3.5Å; R235-D237 IonicContact NH2-OD2 3.61Å
236A32.1Very low30.9Very low86 Ų86134.5 Ų134.571%0.71171%0.706SS**  cis-174.6163.8-10.800000107.4
237D28.1Very low32Very low105 Ų105135.2 Ų135.256%0.56171%0.708SS**  cis-168166.5-28.3-125.387.9000105.1R235R235-D237 IonicContact CZ-OD1 3Å; R235-D237 IonicContact NE-OD1 3.76Å; R235-D237 PolarHBondContact NE-OD1 3.18Å; R235-D237 IonicContact NH2-OD1 2.8Å; R235-D237 PolarHBondContact NH2-OD1 3.5Å; R235-D237 IonicContact NH2-OD2 3.61Å
238R33.1Very low32.1Very low187 Ų187135.9 Ų135.971%0.70671%0.706SS**  cis-121.6-96.94.8-175.5-160.668.8102.98.5110.7E240R238-E240 IonicContact CZ-OE2 3.16Å; R238-E240 IonicContact NH1-OE2 2.98Å; R238-E240 IonicContact NH2-OE2 2.7Å; R238-E240 PolarHBondContact NH2-OE2 2.85Å
239P58.3Low32.1Very low82 Ų82133.1 Ų133.153%0.53271%0.705SS.*  trans-149.1-151.9-16248.8-25.4000116.9
240E28.5Very low32.3Very low152 Ų152133.3 Ų133.371%0.7171%0.706SS**  trans75.9117.4162.8-75.2174.291.900117.9R238R238-E240 IonicContact CZ-OE2 3.16Å; R238-E240 IonicContact NH1-OE2 2.98Å; R238-E240 IonicContact NH2-OE2 2.7Å; R238-E240 PolarHBondContact NH2-OE2 2.85Å
241S28.8Very low32.3Very low103 Ų103131.5 Ų131.572%0.7271%0.708SS**  cis-160.9157.2-1.257.60000113.8
242A33.8Very low32.5Very low86 Ų86127.8 Ų127.871%0.71171%0.709SS**  trans56.9147.3152.900000120.7
243D28.9Very low32.6Very low148 Ų148130.3 Ų130.379%0.79173%0.728SS**  cis-167165.8-12.7-118.1-39.4000111.7
244V31.4Very low32.4Very low129 Ų129127.2 Ų127.278%0.78273%0.73SS**  trans66.6140154.6160.50000118.7
245Y27.3Very low32.2Very low209 Ų209127.6 Ų127.682%0.8274%0.741SS**  cis-165.9177.2-16.4-153.8-106.5000111
246T25.9Very low32.8Very low116 Ų116124.5 Ų124.571%0.71274%0.743SS**  trans-151.6-164.1-177.165.20000111.4
247P55.3Low32.7Very low126 Ų126125.2 Ų125.282%0.81874%0.743SS**  cis-134.9-143.8-13.940.8-18.9000114.3
248A30.6Very low32.8Very low92 Ų92129.1 Ų129.176%0.7676%0.758SS**  trans-129.6178.6-176.900000114.2
249V28.7Very low32.5Very low133 Ų133128.7 Ų128.781%0.80676%0.761SS**  trans-176.7151.3170.61280000109.9
250L32.6Very low32Very low147 Ų147130.8 Ų130.877%0.7778%0.775SS**  cis108.9143.91-63.2171.4000117
251V27.5Very low32.2Very low120 Ų120130.4 Ų130.473%0.72778%0.778SS**  cis-170.6157.2-26.2730000112.8
252S28.7Very low33Very low107 Ų107130.2 Ų130.275%0.74877%0.774SS**  trans81.8141.3154.7-66.50000125.3
253T27.5Very low32.8Very low149 Ų149132 Ų13291%0.91478%0.776SS**  trans-173.7167.9166.737.60000109.7
254A27.6Very low33Very low93 Ų93130.8 Ų130.877%0.76977%0.774SS**  cis-170.1160.7-26.500000109.9
255T27.1Very low32.9Very low138 Ų138129.8 Ų129.885%0.84777%0.772SS**  trans-157.6-167.5-177.264.20000111.3
256P46.6Very low33.3Very low107 Ų107124.4 Ų124.470%0.69577%0.766SS**  cis-144.3179.9-8.943.3-23.9000118.9
257S30.1Very low33.6Very low101 Ų101124.7 Ų124.771%0.70677%0.767SS**  trans99.1139.6134.280.50000126.9
258H31Very low32.4Very low187 Ų187126.1 Ų126.187%0.86677%0.766SS**  trans85.2162.8151-76.8-64.3000126.2
259F26.4Very low32.4Very low177 Ų177127.6 Ų127.678%0.77677%0.766SS**  trans-129.5171.9-160.3-98.3-76.7000110.1
260P47.2Very low32.6Very low127 Ų127127.3 Ų127.383%0.82577%0.765SS**  cis-146.5-154.343.142.1-18.1000117
261N33.6Very low32.4Very low144 Ų144128.7 Ų128.777%0.7777%0.771SS**  trans-152.2150.9-168.2177.342000112.8
262P46.4Very low32.4Very low98 Ų98127.1 Ų127.164%0.63677%0.77SS**  trans-155.1162.4139.539.4-21.2000119.9
263T29.3Very low33.2Very low123 Ų123127.1 Ų127.176%0.75577%0.768SS**  trans68.6160147.542.80000121.7
264V33.1Very low33.1Very low123 Ų123125.4 Ų125.475%0.74576%0.757SS**  cis-152.1160.52.7-1180000112.4
265S27.7Very low33.1Very low108 Ų108128 Ų12876%0.75575%0.753SS**  trans59.2154.8149.9-70.50000121.9
266S36.1Very low33.2Very low97 Ų97129 Ų12968%0.67875%0.748SS**  cis-165.7-160.3-18.4-79.60000106.6
267T33.2Very low32.3Very low121 Ų121132.5 Ų132.574%0.74276%0.755SS**  cis-165.6169.33.5-18.80000110.8
268I30.1Very low32.1Very low156 Ų156134.8 Ų134.880%0.876%0.759SS**  trans74.2136155.4-69.1166.6000120.6
269T30.6Very low31.8Very low124 Ų124131.1 Ų131.176%0.76175%0.75SS**  trans-149.2-169.8172.453.20000107.8
270V32.4Very low31.9Very low127 Ų127128.8 Ų128.877%0.7775%0.75SS**  cis-159.9172.915.9-117.30000107.9
271I29.4Very low31Very low176 Ų176128.9 Ų128.990%0.90374%0.744SS**  trans-173.8147.1141.9-97.1151.7000113.2
272A27.2Very low30.7Very low86 Ų86130.3 Ų130.371%0.71175%0.746SS**  trans-157.1179.7163.600000106.8
273P44Very low29.9Very low108 Ų108130 Ų13070%0.70175%0.746SS**  cis-144.8-158.89.140.4-16.7000116
274T27.1Very low29.7Very low112 Ų112135.4 Ų135.469%0.68775%0.753SS**  trans79.3118.7151.249.30000124.6
275H27.4Very low29.7Very low149 Ų149134.1 Ų134.169%0.6975%0.749SS**  93.7129.9123.9-85.1-134.7000125.8
276H27.4Very low29.7Very low158 Ų158135.7 Ų135.773%0.73175%0.749SS**  trans85148.1144.7-64.5-45.4000124.5
277H29.1Very low29.3Very low181 Ų181140.7 Ų140.784%0.83876%0.759SS**  trans80.1110.9148.183.5-53.5000125.9
278N26Very low29.2Very low148 Ų148143.7 Ų143.779%0.79176%0.757SS**  trans17.6128.7138-76.816.2000124.8
279T24Very low29.4Very low111 Ų111141.8 Ų141.868%0.68176%0.755SS**  58.1115.4121.6-37.70000121.4
280T28.3Very low29.3Very low128 Ų128143 Ų14379%0.78575%0.752SS**  -179.8164.5115.924.10000114.6
281N29.4Very low29.9Very low128 Ų128141.5 Ų141.568%0.68474%0.744SS**  trans33.4122160.872.5-28.7000124.4
282E27.4Very low30.4Very low174 Ų174138.9 Ų138.981%0.81374%0.739SS**  33.4146.2119.9-55.1-179.799.200123.5
283S28.6Very low30.7Very low92 Ų92141.4 Ų141.464%0.64375%0.745SS**  trans103117.5131.6-96.50000121.4
284W25.8Very low30.3Very low236 Ų236143.1 Ų143.189%0.89475%0.749SS**  trans63126.4157.2-59.190.6000122.1
285S31.5Very low30.6Very low96 Ų96149.9 Ų149.967%0.67176%0.761SS**  trans-41.2151.2155.6-37.30000113.9
286D28.8Very low30.9Very low142 Ų142145.6 Ų145.676%0.75976%0.757SS**  -172.2-176.488.7-123-51.3000113.9
287F26.9Very low31.7Very low202 Ų202143.3 Ų143.389%0.88676%0.757SS**  trans77.9126170.7-65.6-81000119.6
288R31.9Very low31.9Very low184 Ų184145 Ų14569%0.69476%0.762SS**  trans-141.9125.3170-179.2-169.8-175-69.435.2109.7E290R288-E290 IonicContact CZ-OE1 2.86Å; R288-E290 IonicContact NH1-OE1 3.76Å; R288-E290 PolarHBondContact NH1-OE1 2.98Å; R288-E290 IonicContact NH2-OE1 2.67Å; R288-E290 PolarHBondContact NH2-OE1 3.26Å
289P34Very low32.2Very low116 Ų116145.7 Ų145.775%0.75377%0.766SS**  trans-89.2167.6160.3-15.933.3000113.1
290E28.8Very low32.9Very low150 Ų150151.7 Ų151.770%0.70178%0.776SS**  trans-100173.8-175.2-92.5-77.799.500113.3R288R288-E290 IonicContact CZ-OE1 2.86Å; R288-E290 IonicContact NH1-OE1 3.76Å; R288-E290 PolarHBondContact NH1-OE1 2.98Å; R288-E290 IonicContact NH2-OE1 2.67Å; R288-E290 PolarHBondContact NH2-OE1 3.26Å
291P45.5Very low33.4Very low94 Ų94148.5 Ų148.561%0.6177%0.768SS**  trans-107.3-170.7-150.943.2-41.3000115
292P39.5Very low34.1Very low122 Ų122148.1 Ų148.179%0.79277%0.773SS**  trans-125125.8143.932.9-20.4000114.9
293V33.2Very low35Very low139 Ų139145.6 Ų145.684%0.84277%0.772SS**  trans5.5105.1156.6-76.80000122
294D35.6Very low35.9Very low144 Ų144149.4 Ų149.477%0.7778%0.784SS**  46.2108.5116-161.42.7000122G296D294-G296 PolarHBondContact OD1-N 3.19Å
295R33.4Very low37.3Very low253 Ų253147 Ų14796%0.95578%0.783SS**  trans-145.1101.5131.8-79-164.8178.5-176.70.6110.8
296G34Very low38.9Very low59 Ų59150 Ų15061%0.60878%0.779SS**  trans-83.4-166.4170.100000114.8D294D294-G296 PolarHBondContact OD1-N 3.19Å
297P43.8Very low41.1Very low111 Ų111151.4 Ų151.472%0.72178%0.779SS**  cis-140.5129.5-1735.2-16.1000114.7
298F33.5Very low43.7Very low217 Ų217149 Ų14995%0.95276%0.764SS**  trans-120.863.9164.1-83.9-66.6000111.3R300F298-R300 PolarHBondContact O-N 3.3Å
299N32.4Very low46.1Very low161 Ų161140.4 Ų140.486%0.86173%0.732SS**  trans-69.7105176.7-85.8-5.1000111.5
300R39.4Very low48.5Very low237 Ų237143.2 Ų143.289%0.89473%0.727SS**PPolyproline II helixtrans-60.7142.6148.4-63-176.7-178.2-164.11.4107.9F298F298-R300 PolarHBondContact O-N 3.3Å
301G39Very low50.9Low61 Ų61139.2 Ų139.263%0.62971%0.711SS**PPolyproline II helixtrans-64.3160.2171.700000111.9
302P43.8Very low52.7Low121 Ų121136.4 Ų136.479%0.78669%0.688SS**PPolyproline II helixtrans-56.8153.2176.3-23.434000112.4L304P302-L304 PolarHBondContact O-N 3.48Å
303P45.4Very low54.8Low121 Ų121134.3 Ų134.379%0.78667%0.67SS**PPolyproline II helixtrans-60.3138.4174.326.8-34.2000110.5Q305P303-Q305 PolarHBondContact O-N 3.02Å
304L47Very low57Low172 Ų172133 Ų13390%0.90166%0.655SS**  trans-63.8102.8174.5-73.4166.6000109.4P302 R306P302-L304 PolarHBondContact O-N 3.48Å; L304-R306 PolarHBondContact O-N 3.39Å; L304-R306 VanDerWaalsContact O-N 3.11Å
305Q56.9Low58.8Low185 Ų185132.7 Ų132.786%0.86465%0.647SS**PPolyproline II helixtrans-55.2119.6169-74.9-173.7-18.700108.8P303P303-Q305 PolarHBondContact O-N 3.02Å
306R63.1Low60.9Low158 Ų158123.1 Ų123.160%0.59663%0.627SS**PPolyproline II helixtrans-63.8137.6173.1-74.3-179.4174-166.51.9107.5L304 R308 C324 P325 D327L304-R306 PolarHBondContact O-N 3.39Å; L304-R306 VanDerWaalsContact O-N 3.11Å; R306-R308 PolarHBondContact O-N 2.91Å; R306-C324 PolarHBondContact NH1-O 2.83Å; R306-P325 WeakPolarHBondContact CD-O 3.46Å; R306-D327 HydrophobicContact CB-CB 4.11Å
307K76.1Confident63Low172 Ų172124.7 Ų124.775%0.74862%0.621SS**PPolyproline II helixtrans-61.6137.6174.6-62.8-173.2179-172.80108.3F326 D327K307-F326 HydrophobicContact CB-CD1 4.17Å; K307-F326 CarbonylContact O-C 3.5Å; K307-F326 VanDerWaalsContact O-CA 3.29Å; K307-F326 WeakPolarHBondContact O-CA 3.45Å; K307-F326 WeakPolarHBondContact O-CB 3.45Å; K307-F326 WeakPolarHBondContact O-CD1 3.49Å; K307-D327 PolarHBondContact O-N 3.14Å
308R80.8Confident64.9Low152 Ų152119.8 Ų119.857%0.57459%0.589SS**BIsolated β-bridgetrans-61.3141.8178.7-148.1168.9175.5-132.54.6110.5R306 R310 D313 D327R306-R308 PolarHBondContact O-N 2.91Å; R308-R310 PolarHBondContact O-N 3.23Å; R308-D313 VanDerWaalsContact CD-OD1 3.3Å; R308-D313 WeakPolarHBondContact CD-OD1 3.41Å; R308-D313 VanDerWaalsContact CD-OD2 3.3Å; R308-D313 WeakPolarHBondContact CD-OD2 3.28Å; R308-D313 WeakPolarHBondContact CG-OD1 3.4Å; R308-D313 IonicContact CZ-OD1 2.9Å; R308-D313 IonicContact CZ-OD2 2.61Å; R308-D313 IonicContact NE-OD1 3.96Å; R308-D313 PolarHBondContact NE-OD1 3.1Å; R308-D313 IonicContact NE-OD2 2.65Å; R308-D313 IonicContact NH1-OD1 3.97Å; R308-D313 PolarHBondContact NH1-OD1 2.99Å; R308-D313 IonicContact NH1-OD2 2.69Å; R308-D313 PolarHBondContact NH1-OD2 2.85Å; R308-D313 IonicContact NH2-OD1 3.99Å; R308-D327 CarbonylContact C-O 3.56Å; R308-D327 WeakPolarHBondContact CA-O 3.46Å; R308-D327 WeakPolarHBondContact CG-O 3.22Å
309C83Confident67.1Low3 Ų3118.8 Ų118.82%0.0259%0.589CS.*  trans-76115.3-173.4-174.40000110D311 Y312 D313 C318 C324 F326 D327 H328C309-D311 VanDerWaalsContact C-N 3.26Å; C309-D311 PolarHBondContact O-N 3.06Å; C309-Y312 WeakPolarHBondContact O-CB 3.15Å; C309-Y312 PolarHBondContact O-N 3.01Å; C309-D313 PolarHBondContact O-N 3.07Å; C309-C318 VanDerWaalsContact SG-SG 3.7Å; C309-C324 PolarHBondContact SG-SG 3.08Å; C309-F326 HydrophobicContact CB-CB 3.66Å; C309-D327 PolarHBondContact N-O 2.86Å; C309-H328 WeakPolarHBondContact CB-CD2 3.21Å; C309-H328 WeakPolarHBondContact CB-NE2 3.45Å
310R84.8Confident69.2Low175 Ų175117.9 Ų117.966%0.6657%0.574SS**Hα-helixtrans-57.8-37.4179.8-175.1175.9-178.9128.39.4113.3R308 Y312 E314R308-R310 PolarHBondContact O-N 3.23Å; R310-Y312 VanDerWaalsContact C-N 3.31Å; R310-Y312 PolarHBondContact O-N 3.27Å; R310-E314 HydrophobicContact CG-CG 4.06Å; R310-E314 VanDerWaalsContact CG-OE2 3.31Å; R310-E314 WeakPolarHBondContact CG-OE2 3.14Å; R310-E314 IonicContact CZ-OE1 3.22Å; R310-E314 IonicContact CZ-OE2 3.7Å; R310-E314 IonicContact NE-OE1 2.69Å; R310-E314 PolarHBondContact NE-OE1 2.79Å; R310-E314 IonicContact NE-OE2 3.73Å; R310-E314 PolarHBondContact NE-OE2 3.42Å; R310-E314 IonicContact NH2-OE1 2.75Å; R310-E314 PolarHBondContact NH2-OE1 3.2Å; R310-E314 IonicContact NH2-OE2 3.99Å; R310-E314 VanDerWaalsContact O-CB 3.31Å; R310-E314 WeakPolarHBondContact O-CB 3.27Å; R310-E314 WeakPolarHBondContact O-CG 3.28Å; R310-E314 PolarHBondContact O-N 2.8Å
311D79.2Confident70.9Confident66 Ų66108 Ų10835%0.35355%0.545SS..Hα-helixtrans-66.4-33.2176.9-75.4-66.3000112.4C309 K315 C318C309-D311 VanDerWaalsContact C-N 3.26Å; C309-D311 PolarHBondContact O-N 3.06Å; D311-K315 VanDerWaalsContact O-CB 3.23Å; D311-K315 WeakPolarHBondContact O-CB 3.22Å; D311-K315 WeakPolarHBondContact O-CG 3.45Å; D311-K315 PolarHBondContact O-N 2.96Å; D311-K315 IonicContact OD1-NZ 2.68Å; D311-K315 PolarHBondContact OD1-NZ 3.49Å; D311-C318 HydrophobicContact CB-CB 4.38Å
312Y82.8Confident72.3Confident36 Ų36111 Ų11114%0.14155%0.547CS..Hα-helixtrans-75-47.5174.9-170.6-90.6000111C309 R310 E314 K315 G316 H328 D331 P332C309-Y312 WeakPolarHBondContact O-CB 3.15Å; C309-Y312 PolarHBondContact O-N 3.01Å; R310-Y312 VanDerWaalsContact C-N 3.31Å; R310-Y312 PolarHBondContact O-N 3.27Å; Y312-E314 VanDerWaalsContact C-N 3.33Å; Y312-E314 PolarHBondContact O-N 2.76Å; Y312-K315 PolarHBondContact O-N 3.43Å; Y312-G316 VanDerWaalsContact CE2-O 3.31Å; Y312-G316 WeakPolarHBondContact CE2-O 3.34Å; Y312-G316 VanDerWaalsContact O-CA 3.32Å; Y312-G316 WeakPolarHBondContact O-CA 3.18Å; Y312-G316 PolarHBondContact O-N 3.13Å; Y312-H328 HydrophobicContact CD1-CB 4.13Å; Y312-H328 WeakPolarHBondContact CD1-O 3.28Å; Y312-H328 HydrophobicContact CD2-CB 4.01Å; Y312-H328 AromaticContact CD2-CD2 3.98Å; Y312-H328 AromaticContact CD2-CG 3.81Å; Y312-H328 HydrophobicContact CE1-CB 4.24Å; Y312-H328 WeakPolarHBondContact CE1-O 3.44Å; Y312-H328 HydrophobicContact CE2-CB 4.12Å; Y312-H328 HydrophobicContact CG-CB 4.03Å; Y312-H328 AromaticContact CG-CD2 3.77Å; Y312-H328 AromaticContact CG-CG 3.93Å; Y312-D331 PolarHBondContact OH-O 3.05Å; Y312-P332 HydrophobicContact CE2-CB 4.21Å
313D83.3Confident73.5Confident77 Ų77113.2 Ų113.241%0.41255%0.549SS..Hα-helixtrans-63-33.4179.3-86.325000113.6R308 C309R308-D313 VanDerWaalsContact CD-OD1 3.3Å; R308-D313 WeakPolarHBondContact CD-OD1 3.41Å; R308-D313 VanDerWaalsContact CD-OD2 3.3Å; R308-D313 WeakPolarHBondContact CD-OD2 3.28Å; R308-D313 WeakPolarHBondContact CG-OD1 3.4Å; R308-D313 IonicContact CZ-OD1 2.9Å; R308-D313 IonicContact CZ-OD2 2.61Å; R308-D313 IonicContact NE-OD1 3.96Å; R308-D313 PolarHBondContact NE-OD1 3.1Å; R308-D313 IonicContact NE-OD2 2.65Å; R308-D313 IonicContact NH1-OD1 3.97Å; R308-D313 PolarHBondContact NH1-OD1 2.99Å; R308-D313 IonicContact NH1-OD2 2.69Å; R308-D313 PolarHBondContact NH1-OD2 2.85Å; R308-D313 IonicContact NH2-OD1 3.99Å; C309-D313 PolarHBondContact O-N 3.07Å
314E79.4Confident75.2Confident111 Ų111107.7 Ų107.752%0.51951%0.513SS..THydrogen-bonded Turntrans-90.3-10.3-179.6-66.3-177152.600113.9R310 Y312R310-E314 HydrophobicContact CG-CG 4.06Å; R310-E314 VanDerWaalsContact CG-OE2 3.31Å; R310-E314 WeakPolarHBondContact CG-OE2 3.14Å; R310-E314 IonicContact CZ-OE1 3.22Å; R310-E314 IonicContact CZ-OE2 3.7Å; R310-E314 IonicContact NE-OE1 2.69Å; R310-E314 PolarHBondContact NE-OE1 2.79Å; R310-E314 IonicContact NE-OE2 3.73Å; R310-E314 PolarHBondContact NE-OE2 3.42Å; R310-E314 IonicContact NH2-OE1 2.75Å; R310-E314 PolarHBondContact NH2-OE1 3.2Å; R310-E314 IonicContact NH2-OE2 3.99Å; R310-E314 VanDerWaalsContact O-CB 3.31Å; R310-E314 WeakPolarHBondContact O-CB 3.27Å; R310-E314 WeakPolarHBondContact O-CG 3.28Å; R310-E314 PolarHBondContact O-N 2.8Å; Y312-E314 VanDerWaalsContact C-N 3.33Å; Y312-E314 PolarHBondContact O-N 2.76Å
315K73.4Confident76.6Confident139 Ų139103.1 Ų103.160%0.60449%0.494SS*.THydrogen-bonded Turntrans-143.2-4.4-169.4-48.7169.6-174.7162.40115.8D311 Y312 L317D311-K315 VanDerWaalsContact O-CB 3.23Å; D311-K315 WeakPolarHBondContact O-CB 3.22Å; D311-K315 WeakPolarHBondContact O-CG 3.45Å; D311-K315 PolarHBondContact O-N 2.96Å; D311-K315 IonicContact OD1-NZ 2.68Å; D311-K315 PolarHBondContact OD1-NZ 3.49Å; Y312-K315 PolarHBondContact O-N 3.43Å; K315-L317 PolarHBondContact O-N 3.16Å; K315-L317 VanDerWaalsContact O-N 3.15Å
316G77.3Confident77.9Confident52 Ų5298.7 Ų98.754%0.53647%0.472SS..SBendtrans71.6-7.6-174.100000115.6Y312Y312-G316 VanDerWaalsContact CE2-O 3.31Å; Y312-G316 WeakPolarHBondContact CE2-O 3.34Å; Y312-G316 VanDerWaalsContact O-CA 3.32Å; Y312-G316 WeakPolarHBondContact O-CA 3.18Å; Y312-G316 PolarHBondContact O-N 3.13Å
317L77.7Confident78.8Confident92 Ų9294.8 Ų94.848%0.48246%0.463SS..  trans-149.5138-176.2-176.265000111.4K315K315-L317 PolarHBondContact O-N 3.16Å; K315-L317 VanDerWaalsContact O-N 3.15Å
318C84Confident78.9Confident7 Ų787.4 Ų87.45%0.04743%0.431CS..  trans-115.8126.2172-173.30000110.5C309 D311 R320 G321 H328C309-C318 VanDerWaalsContact SG-SG 3.7Å; D311-C318 HydrophobicContact CB-CB 4.38Å; C318-R320 PolarHBondContact O-N 3.18Å; C318-G321 PolarHBondContact O-N 3.29Å; C318-H328 WeakPolarHBondContact CB-NE2 3.31Å
319M80.8Confident78.5Confident196 Ų19681.7 Ų81.797%0.96642%0.42SS*.THydrogen-bonded Turntrans-67.415.5177.2-51.4-164.6-42.900114.8
320R76.1Confident77.4Confident143 Ų14388.1 Ų88.154%0.5446%0.464SS..THydrogen-bonded Turntrans-104.7-12.2167.4-67.3-175.1178.3132.84.1112.8C318 D322 M323 C324C318-R320 PolarHBondContact O-N 3.18Å; R320-D322 PolarHBondContact O-N 3.01Å; R320-M323 WeakPolarHBondContact O-CB 3.45Å; R320-M323 PolarHBondContact O-N 3.02Å; R320-M323 VanDerWaalsContact O-N 3.07Å; R320-C324 HydrophobicContact CB-CB 3.99Å
321G75Confident75.9Confident28 Ų2885.6 Ų85.629%0.28946%0.464SS..G310 helixtrans47-137.9-170.100000111.4C318 M323 C324 H328C318-G321 PolarHBondContact O-N 3.29Å; G321-M323 PolarHBondContact O-N 2.84Å; G321-C324 VanDerWaalsContact O-CB 3.32Å; G321-C324 WeakPolarHBondContact O-CB 3.17Å; G321-C324 PolarHBondContact O-N 3.15Å; G321-C324 VanDerWaalsContact O-N 3.11Å; G321-H328 PolarHBondContact O-CE1 2.72Å
322D68.9Low74.7Confident124 Ų12484.7 Ų84.766%0.66346%0.462SS*.G310 helixtrans-69-13.7-178.9-50.6-36.5000113.8R320 C324R320-D322 PolarHBondContact O-N 3.01Å; D322-C324 PolarHBondContact O-N 3.18Å
323M68.3Low73.2Confident169 Ų16987.8 Ų87.883%0.83348%0.484SS*.G310 helixtrans-77.18.8171.7-62.9-60.6-62.200112.8R320 G321R320-M323 WeakPolarHBondContact O-CB 3.45Å; R320-M323 PolarHBondContact O-N 3.02Å; R320-M323 VanDerWaalsContact O-N 3.07Å; G321-M323 PolarHBondContact O-N 2.84Å
324C81.5Confident71.6Confident4 Ų488.5 Ų88.53%0.02749%0.491CS..  trans-73.7130.8173-157.60000112R306 C309 R320 G321 D322 F326 H328R306-C324 PolarHBondContact NH1-O 2.83Å; C309-C324 PolarHBondContact SG-SG 3.08Å; R320-C324 HydrophobicContact CB-CB 3.99Å; G321-C324 VanDerWaalsContact O-CB 3.32Å; G321-C324 WeakPolarHBondContact O-CB 3.17Å; G321-C324 PolarHBondContact O-N 3.15Å; G321-C324 VanDerWaalsContact O-N 3.11Å; D322-C324 PolarHBondContact O-N 3.18Å; C324-F326 PolarHBondContact O-N 2.65Å; C324-F326 VanDerWaalsContact O-N 3.1Å; C324-H328 WeakPolarHBondContact CB-NE2 3.43Å
325P77.3Confident69.7Low77 Ų7789 Ų8950%0.550%0.502SS..SBendtrans-69.4-1172.4-20.834.1000114.8R306R306-P325 WeakPolarHBondContact CD-O 3.46Å
326F83.3Confident68.3Low92 Ų9290.2 Ų90.240%0.40451%0.509SS..SBendtrans-121150.4-171.8-61.9-65.2000109.7K307 C309 C324K307-F326 HydrophobicContact CB-CD1 4.17Å; K307-F326 CarbonylContact O-C 3.5Å; K307-F326 VanDerWaalsContact O-CA 3.29Å; K307-F326 WeakPolarHBondContact O-CA 3.45Å; K307-F326 WeakPolarHBondContact O-CB 3.45Å; K307-F326 WeakPolarHBondContact O-CD1 3.49Å; C309-F326 HydrophobicContact CB-CB 3.66Å; C324-F326 PolarHBondContact O-N 2.65Å; C324-F326 VanDerWaalsContact O-N 3.1Å
327D81.8Confident66.6Low76 Ų7693.9 Ų93.941%0.40652%0.517SS..BIsolated β-bridgetrans-74.4140.3-173.5-155.8-23.9000111.7R306 K307 R308 C309 G329R306-D327 HydrophobicContact CB-CB 4.11Å; K307-D327 PolarHBondContact O-N 3.14Å; R308-D327 CarbonylContact C-O 3.56Å; R308-D327 WeakPolarHBondContact CA-O 3.46Å; R308-D327 WeakPolarHBondContact CG-O 3.22Å; C309-D327 PolarHBondContact N-O 2.86Å; D327-G329 PolarHBondContact OD1-N 2.93Å
328H79.1Confident64.6Low16 Ų1696.6 Ų96.67%0.07454%0.537CS..  trans-103.2-15.1173.7-66164.7000112.1C309 Y312 C318 G321 C324C309-H328 WeakPolarHBondContact CB-CD2 3.21Å; C309-H328 WeakPolarHBondContact CB-NE2 3.45Å; Y312-H328 HydrophobicContact CD1-CB 4.13Å; Y312-H328 WeakPolarHBondContact CD1-O 3.28Å; Y312-H328 HydrophobicContact CD2-CB 4.01Å; Y312-H328 AromaticContact CD2-CD2 3.98Å; Y312-H328 AromaticContact CD2-CG 3.81Å; Y312-H328 HydrophobicContact CE1-CB 4.24Å; Y312-H328 WeakPolarHBondContact CE1-O 3.44Å; Y312-H328 HydrophobicContact CE2-CB 4.12Å; Y312-H328 HydrophobicContact CG-CB 4.03Å; Y312-H328 AromaticContact CG-CD2 3.77Å; Y312-H328 AromaticContact CG-CG 3.93Å; C318-H328 WeakPolarHBondContact CB-NE2 3.31Å; G321-H328 PolarHBondContact O-CE1 2.72Å; C324-H328 WeakPolarHBondContact CB-NE2 3.43Å
329G71.8Confident62.2Low33 Ų33102.7 Ų102.734%0.3457%0.569SS.*  trans76.3-168.9-16900000112.5D327 D331D327-G329 PolarHBondContact OD1-N 2.93Å; G329-D331 PolarHBondContact O-N 3.24Å
330S59.2Low59.7Low137 Ų137101.2 Ų101.296%0.95856%0.564SS**SBendtrans-77.4-6.9-151.4-43.80000118
331D54.7Low58Low122 Ų122100.4 Ų100.465%0.65258%0.578SS**  trans-154.486-176.3-171.218000113.1Y312 G329Y312-D331 PolarHBondContact OH-O 3.05Å; G329-D331 PolarHBondContact O-N 3.24Å
332P54Low56Low47 Ų47103.6 Ų103.631%0.30560%0.595SS.*  trans-87.6104.5174.933.2-30.9000111.7Y312 V334Y312-P332 HydrophobicContact CE2-CB 4.21Å; P332-V334 PolarHBondContact O-N 3.49Å
333V50.9Low54.3Low101 Ų101105.8 Ų105.861%0.61261%0.605SS**  trans-65.5107.7171.4-1800000110.1
334V49Very low52.9Low93 Ų93104.8 Ų104.856%0.56460%0.603SS**  trans-84.2138.2173.7-1790000109.7P332P332-V334 PolarHBondContact O-N 3.49Å
335V40.3Very low51Low121 Ų121110 Ų11073%0.73364%0.636SS**  trans-120.5121.7169.9-176.50000107.8
336E43.4Very low48.8Very low164 Ų164116.2 Ų116.277%0.76666%0.656SS**  trans-84.4156.6-175.4-69-179.3123.900113.5
337D42.3Very low46.4Very low130 Ų130120.2 Ų120.270%0.69568%0.676SS**  trans47.1114.2153.1-70.22.8000122.4
338V35.1Very low44.8Very low149 Ų149122.7 Ų122.790%0.90370%0.696SS**  -133.6132.3124-173.50000109.6
339N33.1Very low42.9Very low134 Ų134127.4 Ų127.472%0.71773%0.728SS**  trans-70150.5-172.7-81.2-80.3000115.4
340L29.6Very low41.4Very low166 Ų166131.6 Ų131.687%0.86975%0.749SS**  trans-127.6124.5158.6-75.9177.1000110S342L340-S342 PolarHBondContact O-N 3.06Å
341P38.6Very low40.6Very low126 Ų126132.7 Ų132.782%0.81874%0.743SS**  trans-79.3117.2-172.429.3-34000114
342S34.6Very low39.8Very low94 Ų94133 Ų13366%0.65775%0.751SS**  trans6.7130.1148.9-166.30000120.4L340L340-S342 PolarHBondContact O-N 3.06Å
343I32.8Very low39.9Very low171 Ų171134.3 Ų134.388%0.87777%0.773SS**  trans-142.3137.4135.5-99.3157.7000108.2
344L37.9Very low39.3Very low148 Ų148136.4 Ų136.478%0.77579%0.786SS**  trans-135.8-179.8-175.7-68.1174.4000108.7
345P41.9Very low39Very low113 Ų113139.4 Ų139.473%0.73480%0.799SS**  cis-125.9-176.6-11.523.9-0.5000113.6
346F30.8Very low38.6Very low207 Ų207142.5 Ų142.591%0.90881%0.806SS**  trans-91.7152.4159.6-95.4-100.5000111.3
347Q33.6Very low38.7Very low177 Ų177140 Ų14083%0.82780%0.803SS**  trans-133.3142.2156.3-77.9-161.5-13.100111.2
348P48.7Very low39.3Very low127 Ų127139.4 Ų139.483%0.82581%0.806SS**  trans-108.4137.4-179.237.7-30.5000114.6
349P38.8Very low39.9Very low116 Ų116137.8 Ų137.875%0.75380%0.799SS**  trans-133.4174.1161.442.1-29.7000112.8
350P39.5Very low40.5Very low121 Ų121136.2 Ų136.279%0.78680%0.796SS**  -124.3-175.5-63.337-21.7000111.7
351I43.2Very low40.8Very low160 Ų160129.3 Ų129.382%0.82177%0.765SS**  trans-86.3143.7-178.1-61.7174.7000110.9
352P38.7Very low40.6Very low127 Ų127129.6 Ų129.683%0.82576%0.759SS**  trans-74.6139.4-177.9-14.330.1000113.7
353G55Low41Very low75 Ų75130.7 Ų130.777%0.77376%0.764SS**  trans16840.1173.800000118.7
354V37.8Very low41.5Very low146 Ų146127.4 Ų127.489%0.88575%0.754SS**  trans-141.5132.2171.8-175.20000110.9
355D43.1Very low41.8Very low156 Ų156125.9 Ų125.983%0.83475%0.753SS**  trans-94.9144.4173.6-96.8-55.1000112.1
356Q33.3Very low41.9Very low186 Ų186125.7 Ų125.787%0.86975%0.751SS**  trans-151158.7158-89.2-142.9-0.300112.5
357P43.9Very low42.8Very low110 Ų110121 Ų12171%0.71474%0.742SS**  trans-106.5166.9-14239.2-37.5000117.6
358P55.5Low42.6Very low118 Ų118120 Ų12077%0.76674%0.741SS**  trans-115.2147.3178.439.5-30.5000116
359P47.6Very low42.1Very low115 Ų115121.5 Ų121.575%0.74774%0.739SS**  trans-122174.3164.240.9-29.9000113.5
360P46Very low42.1Very low101 Ų101122.7 Ų122.766%0.65674%0.739SS**  -134.1-170-62.938.9-22000114.2R216R216-P360 PolarHBondContact NH2-O 3.24Å
361G35Very low42.3Very low21 Ų21122.7 Ų122.722%0.21674%0.739CS.*  trans87.4124.1174.200000115.6R216 R218R216-G361 PolarHBondContact NE-O 3.34Å; R216-G361 PolarHBondContact NH1-O 3.32Å; R216-G361 PolarHBondContact NH2-O 3.24Å; R218-G361 PolarHBondContact NH1-O 3.19Å
362L35.6Very low42.3Very low133 Ų133120.7 Ų120.770%0.69674%0.737SS**  cis80.6145.314.7-47.9178.2000115.1
363P41.6Very low43.2Very low117 Ų117120 Ų12076%0.7673%0.732SS**  cis-125.8-155-0.449.4-33000111.9
364P44Very low42.3Very low101 Ų101122.9 Ų122.966%0.65673%0.734SS**  trans-134.5-140.5-154.140.9-16.5000115.4
365P44.9Very low42.3Very low117 Ų117122.9 Ų122.976%0.7673%0.729SS**  -113.9-105-55.621.90.9000118.3
366P44.2Very low41.8Very low108 Ų108124.2 Ų124.270%0.70174%0.736SS**  trans-126.2-151.2-136.844-21.3000112.9
367P48.2Very low42Very low110 Ų110125.2 Ų125.271%0.71473%0.732SS**  cis-117.6-140.8-8.620.28.4000112.6
368L30.8Very low41.9Very low155 Ų155125.8 Ų125.881%0.81274%0.735SS**  cis-149.4178.315.7-83.6169.9000111.8
369M38.3Very low41.6Very low159 Ų159124.6 Ų124.678%0.78373%0.728SS**  trans-146.4146.5179.4-71.8-95.663.100114.8
370N37.5Very low41Very low141 Ų141125.8 Ų125.875%0.75473%0.732SS**  trans67.2172.7160-54.4-7.5000116.8
371P44.2Very low41Very low120 Ų120126.3 Ų126.378%0.77974%0.736SS**  cis-132.3-134.48.244.4-21000115.1
372P43.5Very low41.4Very low119 Ų119131.1 Ų131.177%0.77376%0.763SS**  trans-123.2-114.2-131.729.50.2000121.1
373P57.9Low41.9Very low112 Ų112131 Ų13173%0.72777%0.771SS**  -132.8-161.6-120.643.8-23.7000118.1
374V35Very low41.4Very low135 Ų135129.4 Ų129.482%0.81878%0.775SS**  trans135.2159.5152.8176.30000115.1
375N39Very low40.8Very low146 Ų146129.3 Ų129.378%0.78178%0.783SS**  trans-114.1165.5-168.2-49.4-92.8000114.3
376L32.2Very low40.3Very low184 Ų184131.9 Ų131.996%0.96379%0.789SS**  trans-151.4166.8147.8-83.6-168.3000113.2
377R37.3Very low40.8Very low208 Ų208132.3 Ų132.379%0.78579%0.792SS**  trans-153.4158.8-174.6-162.5-161.6176.9-177.70.1109.9
378P42.2Very low41.1Very low121 Ų121132.4 Ų132.479%0.78679%0.792SS**  -151.9174.8106.737.9-19.6000116.2
379P49.8Very low41.1Very low94 Ų94129.8 Ų129.861%0.6179%0.787SS**  trans-120.7-170.617843.4-31.2000115.4
380V33.8Very low40.8Very low140 Ų140130.1 Ų130.185%0.84879%0.791SS**  trans-99147.9-177.7179.80000113.1
381P46.6Very low41.5Very low112 Ų112128.7 Ų128.773%0.72779%0.79SS**  trans-114161.7-179.540.9-33.4000116.6
382P43.5Very low42.3Very low121 Ų121128.1 Ų128.179%0.78679%0.786SS**  trans-105.5170.2161.139.1-31.4000113.4
383P44.7Very low41.9Very low132 Ų132129 Ų12986%0.85779%0.788SS**  trans-112.6161.3-16840.2-33.5000117.2
384G32.2Very low40.8Very low82 Ų82128.5 Ų128.585%0.84579%0.794SS**  trans137.6100.9143.500000119.7
385A30.9Very low40.6Very low100 Ų100125.5 Ų125.583%0.82679%0.791SS**  trans-169.1154.4150.300000111.9
386L34.3Very low41.2Very low171 Ų171124.5 Ų124.590%0.89579%0.792SS**  trans-136-179.9177-69.3177.2000108.2
387P54.9Low42.2Very low117 Ų117121.4 Ų121.476%0.7678%0.783SS**  cis-133.4-149.212.242.2-19000112
388P55.1Low43Very low111 Ų111116.9 Ų116.972%0.72178%0.78SS**  cis-139.8-173.5-3.341.2-19.6000119.1
389S30.2Very low43.4Very low101 Ų101116.6 Ų116.671%0.70678%0.779SS**  trans74.697.8154.145.70000123.7
390L31.6Very low42.7Very low166 Ų166119.8 Ų119.887%0.86979%0.79SS**  29.2160.5114.4-57.4177.3000121.9
391P52.7Low43.5Very low111 Ų111118.6 Ų118.672%0.72179%0.785SS**  cis-137.5-142.9-39.743-23.3000109.9
392P60Low43.8Very low107 Ų107118.2 Ų118.270%0.69578%0.783SS**  cis-138-170.8-21.443.6-25.4000116.9
393V37.1Very low43.2Very low137 Ų137120.4 Ų120.483%0.8379%0.787SS**  trans91.6137.7151.4166.60000122
394A33.8Very low42.9Very low103 Ų103122.8 Ų122.885%0.85179%0.786SS**  trans67.4143.2172.200000117.9
395G31.9Very low43.7Very low72 Ų72124.5 Ų124.574%0.74278%0.783SS**  cis-166.8169.1-4.900000112.4
396P51.6Low43.6Very low125 Ų125124.8 Ų124.881%0.81279%0.785SS**  trans-129.5-166.6-15345.3-31.1000115.2
397P52.2Low43.3Very low118 Ų118119.3 Ų119.377%0.76677%0.77SS**  cis-124.7-117.4-27.221.94.4000115.5
398P54.5Low42.4Very low113 Ų113121.9 Ų121.973%0.73477%0.774SS**  -124.7-158.4-115.446-27.5000113.9
399P50.2Low41.4Very low116 Ų116123.4 Ų123.475%0.75378%0.776SS**  cis-136.2-165-4.344.6-25.3000116.7
400L34.9Very low41.6Very low161 Ų161122.4 Ų122.484%0.84377%0.774SS**  trans-113.5-164.9170.1-67.6175.5000110
401P50.6Low42.4Very low115 Ų115120 Ų12075%0.74777%0.768SS**  cis-129-32.5-13.616.15.4000126
402P52.7Low42.4Very low104 Ų104119.5 Ų119.568%0.67577%0.765SS**  -127.9168.1-116.440.4-25.8000119.9
403L31.7Very low41.1Very low167 Ų167121.9 Ų121.987%0.87477%0.77SS**  trans121.4140.2148-64.3178.1000120.3
404Q37Very low40.9Very low181 Ų181120 Ų12085%0.84676%0.763SS**  trans-105.2175.7152.3-61.3179.9-49.300107.5
405P50.1Low40.7Very low119 Ų119122.4 Ų122.477%0.77376%0.76SS**  cis-139.8-167.68.544.7-26000115.7
406A28.5Very low40.6Very low105 Ų105125.2 Ų125.287%0.86876%0.763SS**  trans64.4157.8164.400000117.7
407G29.1Very low39.6Very low56 Ų56124.5 Ų124.558%0.57776%0.761SS**  cis174169.5-6.700000111.2
408M34.5Very low38.7Very low172 Ų172124.6 Ų124.685%0.84777%0.765SS**  trans65.3156.3172.6-7485.979.100117.2
409D34.2Very low37.6Very low142 Ų142125.8 Ų125.876%0.75977%0.769SS**  cis-155.4156.6-13.9-126.3-36.7000114.3
410A33.8Very low37.4Very low81 Ų81125 Ų12567%0.66977%0.765SS**  trans54.8178.6149.400000119.6
411P48.8Very low37.2Very low116 Ų116122.7 Ų122.775%0.75376%0.757SS**  cis-122.6-170.7-14.241.2-25.3000112.5
412P53.7Low36.3Very low100 Ų100124.4 Ų124.465%0.64976%0.758SS**  -134.1163.2-56.138.8-23.5000114
413I33.2Very low35.1Very low156 Ų156125.7 Ų125.780%0.876%0.764SS**  trans47.8151.914671.6-176.7000122
414S31.3Very low35Very low98 Ų98123.3 Ų123.369%0.68576%0.756SS**  cis-166.8162.2-16.2-102.30000111.5
415I30Very low34.7Very low154 Ų154120 Ų12079%0.7975%0.753SS**  trans-20.7152.4152.952.8171.2000117.2
416T30.6Very low33.7Very low130 Ų130117.1 Ų117.180%0.79875%0.745SS**  cis-148.5-179.139.1530000114.3
417S30Very low33.8Very low111 Ų111120.6 Ų120.678%0.77675%0.746SS**  trans-102.5144.4173.162.10000114.1
418S32.8Very low33.8Very low120 Ų120127.6 Ų127.684%0.83975%0.754SS**  trans-167.7150.2146.553.10000114.3
419V32.3Very low34.1Very low137 Ų137125 Ų12583%0.8375%0.751SS**  trans-101175.1162-120.70000107.4
420P46.4Very low34Very low101 Ų101122.3 Ų122.366%0.65674%0.743SS**  cis-143.4-174.40.432.7-7.5000117.7
421T29.9Very low33.9Very low111 Ų111125.5 Ų125.568%0.68175%0.748SS**  trans65118.7143.642.80000125.1
422I31.5Very low33.6Very low152 Ų152125.5 Ų125.578%0.77975%0.748SS**  55152.8119.3-52.1173.7000120.6
423V27.2Very low32.4Very low131 Ų131129.5 Ų129.579%0.79476%0.758SS**  trans101.5131.4166.5-179.50000114
424T30.3Very low32.2Very low116 Ų116126 Ų12671%0.71275%0.753SS**  cis-167.6168.4-17.1-94.70000109.5
425S30.3Very low32.3Very low112 Ų112127.4 Ų127.478%0.78376%0.762SS**  trans88.8142.1166.679.60000117.5
426G29.6Very low32.4Very low58 Ų58123.7 Ų123.760%0.59876%0.762SS**  cis-177.6168.5-800000116
427M30.1Very low32.7Very low179 Ų179123 Ų12388%0.88276%0.759SS**  trans74118.3165.2-74.562.474.500120.3
428R28.8Very low32.7Very low202 Ų202125.3 Ų125.376%0.76276%0.762SS**  trans-71.1160.8154.1-116.4174.5168.8-108.6-5.9109.5
429P42.1Very low32.4Very low119 Ų119129.8 Ų129.877%0.77377%0.767SS**  -100.4-162.253.540.2-41.4000113
430S31.5Very low32.6Very low85 Ų85127 Ų12759%0.59476%0.759SS**  cis-154-167.912.967.30000113.5
431L31.3Very low32.4Very low147 Ų147127.6 Ų127.677%0.7776%0.762SS**  trans-153.9143.9156.5-107168.4000106.6
432P42.4Very low32.3Very low116 Ų116129.1 Ų129.175%0.75377%0.766SS**  -146.3-172.886.940.7-23.7000115.4
433Q29.8Very low32.2Very low185 Ų185129.7 Ų129.786%0.86477%0.765SS**  trans-58.8158.5169.2-76.2167.5-86.400113.5
434A28.5Very low32.3Very low83 Ų83132.1 Ų132.169%0.68676%0.761SS**  cis-168.1-178.5-8.500000111.5
435S31.9Very low32.2Very low127 Ų127134 Ų13489%0.88877%0.767SS**  trans81.3152.8168.180.90000118.3
436G32.7Very low32.4Very low75 Ų75133.8 Ų133.877%0.77376%0.761SS**  trans95.3113.4172.800000115.7
437P37.2Very low32.8Very low115 Ų115138.4 Ų138.475%0.74777%0.772SS**  trans-104.8171.8174.839.8-33.8000113.9
438L29.8Very low33Very low160 Ų160135.7 Ų135.784%0.83877%0.765SS**  trans76.9121.6165.4-50.3-178.8000118.5
439F25.9Very low33.1Very low215 Ų215135.3 Ų135.394%0.94377%0.765SS**  trans-142128.1150.4-95.7-82.4000109
440A36.5Very low32.6Very low79 Ų79137 Ų13765%0.65377%0.768SS**  trans-87.5164.7148.500000107.8
441P43.2Very low33.5Very low112 Ų112136 Ų13673%0.72776%0.759SS**  -143.6-175.376.621.63.6000112.7
442D28.8Very low33.4Very low144 Ų144138.7 Ų138.777%0.7777%0.768SS**  cis-164.5147.9-24.5-97.5-26.3000108
443H27.6Very low32.9Very low164 Ų164137.2 Ų137.276%0.75977%0.766SS**  -174.2123126.4-130.1-93.8000113.3
444Y29.3Very low33.5Very low182 Ų182134.4 Ų134.471%0.71476%0.763SS**  trans43.1123150.6-85.5-113.8000121.3
445D29.6Very low33.7Very low156 Ų156134.6 Ų134.683%0.83476%0.76SS**  -145-172.676-144.7-62.9000110.2
446T33Very low33.7Very low106 Ų106135.6 Ų135.665%0.6575%0.754SS**  trans-119.4143.6-147.5-42.80000114.4
447D39.6Very low33.5Very low155 Ų155137.7 Ų137.783%0.82975%0.752SS**  trans-101.4-166.8-177.7-128.9-39.9000112.2
448V33.9Very low33Very low123 Ų123137 Ų13775%0.74575%0.749SS**  trans98.386.9155.2-169.30000119
449Y30.3Very low32.8Very low193 Ų193135.8 Ų135.876%0.75775%0.749SS**  79.2135.3113.5-162.9-116.4000122.6P451Y449-P451 HydrophobicContact CD1-CG 4.23Å; Y449-P451 HydrophobicContact CE1-CB 4Å; Y449-P451 HydrophobicContact CE1-CG 3.47Å; Y449-P451 VanDerWaalsContact CE1-CG 3.47Å; Y449-P451 HydrophobicContact CE2-CB 3.98Å; Y449-P451 HydrophobicContact CE2-CG 4.38Å; Y449-P451 WeakPolarHBondContact OH-CB 3.33Å
450N31.3Very low33Very low155 Ų155131.2 Ų131.283%0.82974%0.743SS**  trans-149.5126.1146.2-174.936.8000109.2
451P50.8Low32.5Very low63 Ų63137.1 Ų137.141%0.40975%0.749SS.*  trans-103.6144.3-174.437.7-32.4000113.8Y449Y449-P451 HydrophobicContact CD1-CG 4.23Å; Y449-P451 HydrophobicContact CE1-CB 4Å; Y449-P451 HydrophobicContact CE1-CG 3.47Å; Y449-P451 VanDerWaalsContact CE1-CG 3.47Å; Y449-P451 HydrophobicContact CE2-CB 3.98Å; Y449-P451 HydrophobicContact CE2-CG 4.38Å; Y449-P451 WeakPolarHBondContact OH-CB 3.33Å
452E29.9Very low32.4Very low204 Ų204137 Ų13795%0.95375%0.748SS**  trans-169.5134.5135.5-110.5170.1-166.800110.2
453A31.8Very low32.3Very low86 Ų86138.5 Ų138.571%0.71175%0.753SS**  trans-117.2152.5173.300000108.1
454P43.1Very low32.2Very low125 Ų125140.7 Ų140.781%0.81276%0.756SS**  -150.9-167.180.334.7-13.1000114
455S31.7Very low32.2Very low88 Ų88143.9 Ų143.962%0.61577%0.767SS**  -170.1141.2-51.9-78.30000108.8
456I32.1Very low32.2Very low148 Ų148143.9 Ų143.976%0.75976%0.761SS**  trans44.6137.3142.276.9-169.1000124.5
457T28.9Very low32.1Very low119 Ų119150 Ų15073%0.7377%0.772SS**  trans70.6132139.252.30000124.8
458S25.3Very low31.6Very low100 Ų100148 Ų14870%0.69977%0.766SS**  trans74.7120.4132.866.80000123.1
459T25.6Very low31.6Very low135 Ų135149.2 Ų149.283%0.82877%0.768SS**  56.7102.6126.2-50.80000120.2
460S30Very low31.6Very low118 Ų118144.1 Ų144.183%0.82577%0.765SS**  -168.6158.7115.5420000113.6
461R26.7Very low31.5Very low203 Ų203144.8 Ų144.877%0.76676%0.764SS**  trans-103.6167.4163.1-77.8-174.7170.8-141.90.1106.9
462P40.4Very low30.4Very low111 Ų111152.1 Ų152.172%0.72178%0.783SS**  cis-153.5-170.230.145.4-23.7000118.6
463M26.9Very low31.2Very low174 Ų174146.9 Ų146.986%0.85777%0.766SS**  trans6792.3147.4-65.1-115.2167.300122.3
464Y25.9Very low31.6Very low210 Ų210149.6 Ų149.682%0.82477%0.769SS**  51106.3112-150.6-84.3000121.1
465R30.3Very low31.2Very low250 Ų250150.2 Ų150.294%0.94377%0.765SS**  trans-165.8178.2135.4-109.9168.9-169.3-161.23.4113
466H29.5Very low31.4Very low156 Ų156153 Ų15372%0.72277%0.771SS**  trans-134.6143.5-155.5-147.6-75.3000111.1
467R30.5Very low31.5Very low235 Ų235149.1 Ų149.189%0.88777%0.768SS**  trans158.3113.2147.7-88.3167.6-179.2-1641.1112.7
468V29.4Very low31.7Very low113 Ų113150.3 Ų150.369%0.68577%0.769SS**  65.7119.993.9-110.50000121.8
469N32.6Very low31.9Very low148 Ų148151.2 Ų151.279%0.79177%0.771SS**  trans73.4149.5134.1-92.722000126
470A31.7Very low32Very low85 Ų85152.6 Ų152.670%0.70277%0.77SS**  trans74.6161.1159.100000116.7
471Q29.3Very low32Very low170 Ų170149.9 Ų149.979%0.79476%0.761SS**  cis-152.5158.5-1.8-164.561.9-30.700112.4
472R26.1Very low31.9Very low217 Ų217148.6 Ų148.682%0.81976%0.763SS**  trans-35.7-178.6154.9-107.2179.3176.9-168.2-1.8118
473P46.8Very low31.6Very low93 Ų93149 Ų14960%0.60476%0.763SS**  cis-150.6-174.8-10.540.5-19.2000119.5
474N41Very low31.7Very low144 Ų144147.5 Ų147.577%0.7776%0.759SS**  trans73.8167.8146.7-65.6-9.9000120.2
475L35Very low31.7Very low137 Ų137144.9 Ų144.972%0.71775%0.754SS**  cis-163.9143.326.9-171.362.6000116.6
476I35.8Very low32.2Very low146 Ų146138.6 Ų138.675%0.74975%0.746SS**  trans60.6148.9158.1-72.1167.9000118.8L478I476-L478 HydrophobicContact CG2-CD1 4.19Å
477G33.3Very low32.1Very low68 Ų68137.9 Ų137.970%0.70175%0.747SS**  cis-173.9-158.54.700000110.2
478L32.9Very low32.1Very low143 Ų143134.9 Ų134.975%0.74974%0.735SS**  cis-173.7155.4-22-105.3171.3000111.7I476I476-L478 HydrophobicContact CG2-CD1 4.19Å
479T29.5Very low32Very low120 Ų120135.2 Ų135.274%0.73673%0.733SS**  trans58.9148158.455.80000123.2
480M29Very low31.8Very low164 Ų164136.8 Ų136.881%0.80873%0.733SS**  cis-165.6150.4-11.7-99.4-104.84900113.3
481G29.7Very low32Very low61 Ų61140.3 Ų140.363%0.62974%0.738SS**  trans84.1153147.300000120.7
482E25.5Very low32.4Very low175 Ų175138.3 Ų138.382%0.81874%0.74SS**  cis-162.4117.5-17.2-172.1152.5-17000112.2
483V32.8Very low32.5Very low120 Ų120135.5 Ų135.573%0.72774%0.741SS**  trans50130.2132.3-179.20000120.5
484D28.4Very low31.6Very low143 Ų143137.7 Ų137.777%0.76575%0.748SS**  -154.6-173.869.6-143.1-31000117.1
485Q27.2Very low31Very low154 Ų154134.9 Ų134.972%0.7274%0.74SS**  trans-118.5-150.3-163-131.494.6108.200111.9
486P40.1Very low30.7Very low119 Ų119136.7 Ų136.777%0.77375%0.747SS**  cis-127.6-178-6.218.19.4000114.8
487L27.6Very low30.4Very low140 Ų140140.7 Ų140.773%0.73375%0.752SS**  cis-174.4141.7-28.6-179.864.6000113.8
488R29.7Very low30.1Very low172 Ų172144.9 Ų144.965%0.64976%0.757SS**  trans58.2117.5154.6-74.5-121.6170.6-109.92.3127.2
489D28.9Very low30Very low121 Ų121143.9 Ų143.965%0.64776%0.757SS**  47.9172.7115.3-57.4-109.2000123.2
490K26.7Very low29.8Very low180 Ų180145.4 Ų145.478%0.78376%0.757SS**  cis-146169.119.1-70.4176.3-178.9171.60114
491I37.6Very low29.5Very low159 Ų159144.9 Ų144.982%0.81575%0.753SS**  trans-108.6152.6171.2-31176.3000110.3
492P36.7Very low29.4Very low128 Ų128146.6 Ų146.683%0.83176%0.755SS**  -140.4-159.7128.940.1-26.3000114.8
493N28.6Very low29.3Very low158 Ų158145.5 Ų145.585%0.84576%0.755SS**  trans-153.4167.1-142179.822.9000113.4
494N28Very low29Very low140 Ų140144.3 Ų144.375%0.74975%0.752SS**  trans118.8161.7145.5-156.820000117.5
495S29.3Very low29Very low85 Ų85147.8 Ų147.859%0.59475%0.754SS**  trans-135.5154.3-167.768.50000113.7
496M28.1Very low29.1Very low175 Ų175149.8 Ų149.886%0.86276%0.761SS**  trans-143142.3148.6-69.2-164.7175.700107.4
497R28.4Very low28.9Very low230 Ų230155.7 Ų155.787%0.86877%0.768SS**  cis83.5145.136.4-79.3-165.9174.1179.40.8115
498I28.6Very low28.7Very low156 Ų156154.5 Ų154.580%0.877%0.771SS**  trans76.6113.2-175.2-53.3173.8000110.7
499V30.1Very low29.5Very low122 Ų122150.7 Ų150.774%0.73978%0.777SS**  cis88.1134.622.2-173.50000114.8
500M25.9Very low29.4Very low152 Ų152153.1 Ų153.175%0.74979%0.788SS**  trans90.8136162.9-93163.272.600120.3
501E22.8Very low29.6Very low153 Ų153149.7 Ų149.772%0.71579%0.787SS**  trans80.6100.9147.1-68.5-173.395.600122.5
502S26Very low29.2Very low97 Ų97151.2 Ų151.268%0.67879%0.791SS**  92.8132.9107.3-60.50000120.3
503D24.8Very low28.7Very low151 Ų151151.4 Ų151.481%0.80779%0.785SS**  trans2.5126.1154.6-80.5-87.9000119.7
504S26Very low28.7Very low96 Ų96147.3 Ų147.367%0.67178%0.779SS**  -174.5146.9103.5-94.60000116.8
505R29Very low28.8Very low215 Ų215143.2 Ų143.281%0.81177%0.771SS**  trans70.8113.9140.6-69.6167.7-173-141.2-3.6121.2
506K28.8Very low29.5Very low197 Ų197145.1 Ų145.186%0.85778%0.781SS**  69.5119.4127.3-66.2-170.5173.5-170.60119.6
507R36.1Very low29.5Very low242 Ų242142.5 Ų142.591%0.91378%0.778SS**  trans-68.1159.9155-41.1172.3-164.3-142.90.2110.2
508S23.7Very low29.5Very low115 Ų115141 Ų14180%0.80478%0.778SS**  -154.5156.1127.7-90.80000109.5
509A44.9Very low29.6Very low93 Ų93143.1 Ų143.177%0.76978%0.782SS**  trans-142.4151176.500000109.7
510L26.7Very low30.2Very low171 Ų171142.8 Ų142.890%0.89578%0.782SS**  trans-156.1128.8169.9-129.669.3000106
511S31.1Very low30.2Very low109 Ų109146.9 Ų146.976%0.76279%0.789SS**  cis105.91007.6-166.40000115.2
512H29.1Very low30.7Very low191 Ų191146.7 Ų146.788%0.88479%0.787SS**  trans-157.7168151.9-140.7-84.8000110.1
513D27.4Very low30.7Very low132 Ų132148.8 Ų148.871%0.70679%0.79SS**  trans-137155.6170.1-175.266.4000107.7G515D513-G515 VanDerWaalsContact CG-N 3.35Å; D513-G515 PolarHBondContact OD1-N 3.05Å; D513-G515 PolarHBondContact OD2-N 2.84Å
514G28.4Very low31.2Very low71 Ų71149 Ų14973%0.73278%0.784SS**  cis127.3-130.5-1.100000111.6
515G29.1Very low32.1Very low55 Ų55149.6 Ų149.657%0.56779%0.785SS**  trans60.5179.3173.700000118.3D513D513-G515 VanDerWaalsContact CG-N 3.35Å; D513-G515 PolarHBondContact OD1-N 3.05Å; D513-G515 PolarHBondContact OD2-N 2.84Å
516P45.5Very low31.9Very low124 Ų124146.1 Ų146.181%0.80578%0.783SS**  cis-132.3146-26.537.7-23.6000113.6
517C26.4Very low32Very low120 Ų120145.1 Ų145.181%0.81178%0.779SS**  trans-167.2134.4143-108.50000117.9
518K29.7Very low31.6Very low198 Ų198139.1 Ų139.186%0.86177%0.765SS**  trans13.8123.2139.3-58.3174.5-176.3175.80120
519K30.6Very low32.1Very low201 Ų201142.2 Ų142.287%0.87476%0.764SS**  trans-71.3179.3151.8-51174.9179.6174.20110.1
520P42.4Very low31.4Very low116 Ų116146.1 Ų146.175%0.75377%0.771SS**  cis-137.3168.6-0.141.6-25.2000116.7
521W25.8Very low31.6Very low237 Ų237143.3 Ų143.390%0.89876%0.757SS**  trans-151.9168.3143.1-153-92.2000111.4
522F32.4Very low31.7Very low150 Ų150147.1 Ų147.166%0.65876%0.762SS**  trans-69.9155.1171.8-104-136.2000112.5
523D27.6Very low32.2Very low141 Ų141146.5 Ų146.575%0.75476%0.76SS**  -176.1177.6108.2-103.1-42.9000113.9
524K33.8Very low32.2Very low154 Ų154143.1 Ų143.167%0.6776%0.756SS**  trans-143174.4176.4-64.8106.9171.7179.20109.4
525P45.5Very low32.3Very low109 Ų109150.5 Ų150.571%0.70876%0.763SS**  cis-128.4167.9-8.739.4-25.3000114.7
526N25.6Very low32.6Very low142 Ų142157.2 Ų157.276%0.75978%0.779SS**  -175.2154.6123.5-106-31.4000117.1
527F30.4Very low31.9Very low176 Ų176160.6 Ų160.677%0.77278%0.781SS**  trans31.2139.2158-84.2-88.6000125.4
528N28.3Very low32.1Very low116 Ų116166 Ų16662%0.6279%0.785SS**  trans73.597.9153.1-80.4-40.1000121.5
529K33Very low32.2Very low181 Ų181160.6 Ų160.679%0.78778%0.777SS**  47.9117.7122.1-58.7168.2-1711640119.2
530L30Very low32.5Very low175 Ų175160.3 Ų160.392%0.91678%0.779SS**  -159.5158.688.8-145.563.7000113.7
531N31.7Very low32.6Very low112 Ų112161.3 Ų161.360%0.59977%0.772SS**  trans-56.9136.8-177.8173.134.9000115.9
532H32.7Very low33.7Very low188 Ų188153.8 Ų153.887%0.8776%0.755SS**  trans-150.6133.5133.7-107.5-78000110.6
533Q39.4Very low35.4Very low178 Ų178151.2 Ų151.283%0.83275%0.753SS**  trans-86.4141.4177.9-67.6173.2-66.500111.7
534G28.8Very low37.6Very low61 Ų61146.6 Ų146.663%0.62973%0.729SS**  trans-171.2128.7170.900000112.5
535Y30.6Very low39.9Very low227 Ų227140.2 Ų140.289%0.8971%0.705SS**  trans55.296.7169.2-52.7-79.2000117.2K537Y535-K537 PolarHBondContact O-N 2.95Å
536H33.6Very low42Very low195 Ų195137.5 Ų137.590%0.90368%0.682SS**  trans-62.998.1156.8-69.4-84000109.6
537K30.7Very low45Very low195 Ų195130.7 Ų130.785%0.84865%0.646SS**PPolyproline II helixtrans-54.8139156.6-69.5-176177.3-177.40107.5Y535 A539Y535-K537 PolarHBondContact O-N 2.95Å; K537-A539 PolarHBondContact O-N 3.22Å
538R31.7Very low47.9Very low235 Ų235123.4 Ų123.489%0.88761%0.614SS**PPolyproline II helixtrans-54.1125172.2-69.6-179.7177.2175.5-1.3107.9Q540R538-Q540 PolarHBondContact O-N 3.31Å
539A32.6Very low50.8Low84 Ų84117.9 Ų117.969%0.69459%0.585SS**PPolyproline II helixtrans-57.3136.8169.800000108.2K537 F541K537-A539 PolarHBondContact O-N 3.22Å; A539-F541 PolarHBondContact O-N 3.19Å
540Q37Very low53.2Low194 Ų194113.6 Ų113.691%0.90756%0.564SS**PPolyproline II helixtrans-61124.1170.2-73.5163.9-91.700107.2R538 S542R538-Q540 PolarHBondContact O-N 3.31Å; Q540-S542 PolarHBondContact O-N 2.72Å
541F42.4Very low55.6Low138 Ų138109.7 Ų109.761%0.60554%0.541SS*.PPolyproline II helixtrans-58.9125176.4-71.9-91000108.6A539 W616A539-F541 PolarHBondContact O-N 3.19Å; F541-W616 AromaticContact CD1-CD1 3.95Å; F541-W616 AromaticContact CD1-NE1 3.73Å; F541-W616 AromaticContact CE1-CD1 3.53Å; F541-W616 HydrophobicContact CE1-CG 4.47Å; F541-W616 AromaticContact CE1-NE1 3.45Å
542S49.8Very low58.1Low78 Ų78104.3 Ų104.355%0.54551%0.512SS..PPolyproline II helixtrans-46.6145.2158.5167.30000109.3Q540 N544Q540-S542 PolarHBondContact O-N 2.72Å; S542-N544 WeakPolarHBondContact CB-OD1 3.48Å; S542-N544 PolarHBondContact O-N 3.26Å; S542-N544 PolarHBondContact O-OD1 2.99Å; S542-N544 PolarHBondContact OG-OD1 2.91Å
543P68.1Low60.3Low96 Ų9697.2 Ų97.262%0.62348%0.483SS*.  trans-71.360.1177.731.4-36.2000111.9A545 P593P543-A545 PolarHBondContact O-N 3.11Å; P543-P593 HydrophobicContact CB-CB 3.9Å; P543-P593 HydrophobicContact CB-CG 3.83Å
544N74.3Confident61.9Low44 Ų4492.9 Ų92.924%0.23547%0.47CS..  trans-68.6127.6172.3-64.728.3000108.1S542 P593 W616 F617S542-N544 WeakPolarHBondContact CB-OD1 3.48Å; S542-N544 PolarHBondContact O-N 3.26Å; S542-N544 PolarHBondContact O-OD1 2.99Å; S542-N544 PolarHBondContact OG-OD1 2.91Å; N544-P593 WeakPolarHBondContact O-CB 3.26Å; N544-W616 HydrophobicContact CB-CE3 3.8Å; N544-W616 HydrophobicContact CB-CZ3 4.08Å; N544-W616 WeakPolarHBondContact O-CZ3 3.48Å; N544-F617 PolarHBondContact ND2-O 2.82Å
545A82.9Confident64Low21 Ų2197.4 Ų97.417%0.17448%0.475CS..  trans-103.1-0.117000000112.8P543 Q589 F590 P593P543-A545 PolarHBondContact O-N 3.11Å; A545-Q589 WeakPolarHBondContact O-CA 3.41Å; A545-F590 PolarHBondContact O-N 3.45Å; A545-P593 HydrophobicContact CB-CB 4.42Å
546K88.9Confident66Low51 Ų5189.1 Ų89.122%0.22245%0.446CS..EExtended strand (participates in β ladder)trans-98.1132.1-179.6-63.5178.4-178172.50111.3L587 I588 Q589 F617 D619K546-L587 HydrophobicContact CB-CD1 4.22Å; K546-I588 CarbonylContact C-O 3.57Å; K546-I588 WeakPolarHBondContact CA-O 3.41Å; K546-Q589 HydrophobicContact CG-CB 4.14Å; K546-Q589 HydrophobicContact CG-CG 3.94Å; K546-F617 HydrophobicContact CB-CB 3.81Å; K546-F617 HydrophobicContact CB-CD1 3.71Å; K546-F617 HydrophobicContact CB-CG 4.17Å; K546-F617 HydrophobicContact CD-CD1 3.45Å; K546-F617 VanDerWaalsContact CD-CD1 3.45Å; K546-F617 HydrophobicContact CD-CE1 3.71Å; K546-F617 HydrophobicContact CG-CD1 4.25Å; K546-F617 WeakPolarHBondContact O-CB 3.42Å; K546-F617 PolarHBondContact O-N 2.66Å; K546-F617 VanDerWaalsContact O-N 3.14Å; K546-D619 IonicContact NZ-OD1 3.84Å; K546-D619 PolarHBondContact NZ-OD1 2.65Å; K546-D619 IonicContact NZ-OD2 3.93Å; K546-D619 PolarHBondContact NZ-OD2 2.9Å
547L89.2Confident68.3Low0 Ų080.5 Ų80.50%041%0.406CS..EExtended strand (participates in β ladder)trans-121.8130.9176.7-59-174000110.7I588 F590 A596 A599 M600 V614 H615 W616L547-I588 PolarHBondContact N-O 2.69Å; L547-I588 PolarHBondContact O-N 3.34Å; L547-F590 HydrophobicContact CD1-CD2 4.39Å; L547-F590 HydrophobicContact CD1-CE2 3.84Å; L547-F590 HydrophobicContact CG-CE2 4.43Å; L547-A596 HydrophobicContact CD1-CB 4.3Å; L547-A596 HydrophobicContact CD2-CB 4.13Å; L547-A596 HydrophobicContact CG-CB 4.11Å; L547-A599 HydrophobicContact CD1-CB 3.82Å; L547-M600 HydrophobicContact CD1-CG 3.87Å; L547-M600 HydrophobicContact CD2-CG 3.56Å; L547-M600 HydrophobicContact CD2-SD 3.64Å; L547-M600 HydrophobicContact CG-CG 4.38Å; L547-V614 HydrophobicContact CB-CG1 4Å; L547-V614 HydrophobicContact CD1-CG1 3.82Å; L547-V614 HydrophobicContact CG-CG1 4.35Å; L547-H615 CarbonylContact C-O 3.52Å; L547-H615 WeakPolarHBondContact CA-O 3.16Å; L547-W616 HydrophobicContact CD2-CD2 4.11Å; L547-W616 HydrophobicContact CD2-CE3 3.46Å; L547-W616 VanDerWaalsContact CD2-CE3 3.46Å; L547-W616 HydrophobicContact CD2-CH2 4Å; L547-W616 HydrophobicContact CD2-CZ3 3.39Å
548L89.3Confident70.8Confident22 Ų2275 Ų7512%0.11539%0.386CS..EExtended strand (participates in β ladder)trans-97.2111.2172.9-178.266.5000109.2R550 Y579 H615 F617L548-R550 HydrophobicContact CG-CG 4.36Å; L548-Y579 HydrophobicContact CD1-CD1 3.61Å; L548-Y579 HydrophobicContact CD1-CE1 4.19Å; L548-Y579 HydrophobicContact CD1-CG 4.45Å; L548-H615 PolarHBondContact N-O 3.48Å; L548-H615 PolarHBondContact O-N 3.08Å; L548-F617 HydrophobicContact CB-CB 4.09Å; L548-F617 HydrophobicContact CB-CD2 4.13Å
549V89.6Confident73.3Confident0 Ų068.5 Ų68.50%037%0.368CS..EExtended strand (participates in β ladder)trans-93.5127.2174.8-167.20000108I552 F566 G585 A586 I588 I612 V614V549-I552 HydrophobicContact CB-CD1 3.87Å; V549-I552 HydrophobicContact CB-CG1 4.36Å; V549-I552 HydrophobicContact CG1-CD1 3.63Å; V549-I552 HydrophobicContact CG1-CG1 3.64Å; V549-F566 HydrophobicContact CG1-CZ 4.5Å; V549-F566 HydrophobicContact CG2-CE2 4.11Å; V549-F566 HydrophobicContact CG2-CZ 3.81Å; V549-G585 CarbonylContact O-C 3.59Å; V549-G585 WeakPolarHBondContact O-CA 3.04Å; V549-A586 PolarHBondContact N-O 2.95Å; V549-A586 PolarHBondContact O-N 3.14Å; V549-I588 HydrophobicContact CG2-CD1 3.75Å; V549-I588 HydrophobicContact CG2-CG1 4.15Å; V549-I612 HydrophobicContact CG1-CG2 3.28Å; V549-V614 HydrophobicContact CG1-CG2 4.4Å; V549-V614 HydrophobicContact CG2-CG1 4.47Å; V549-V614 HydrophobicContact CG2-CG2 4.36Å
550R84.9Confident75.8Confident92 Ų9268.4 Ų68.435%0.34736%0.362SS..EExtended strand (participates in β ladder)trans-131.3159.1179.2-92.2-175.3159.7157.3-0.9111.9L548 I552 D582 E584 K613L548-R550 HydrophobicContact CG-CG 4.36Å; R550-I552 VanDerWaalsContact C-N 3.31Å; R550-D582 IonicContact CZ-OD2 3.73Å; R550-D582 VanDerWaalsContact CZ-OD2 3.3Å; R550-D582 IonicContact NE-OD2 2.69Å; R550-D582 PolarHBondContact NE-OD2 2.85Å; R550-D582 VanDerWaalsContact NE-OD2 3.1Å; R550-D582 IonicContact NH2-OD2 3.89Å; R550-D582 PolarHBondContact NH2-OD2 2.97Å; R550-E584 CarbonylContact C-O 3.57Å; R550-E584 WeakPolarHBondContact CA-O 3.2Å; R550-K613 PolarHBondContact N-O 3.31Å; R550-K613 PolarHBondContact O-N 2.81Å
551Q80.1Confident78.1Confident92 Ų9263.4 Ų63.443%0.4334%0.337SS..  trans64.731.5-172.8-48.8-161.4-96.600113.5E584Q551-E584 PolarHBondContact N-O 3.01Å
552I83.3Confident80.1Confident0 Ų056.8 Ų56.80%031%0.308CS..  trans-73.9124.2167.8-48.7165.5000106.9V549 R550 L556 N557 L562 E584 A586 I612V549-I552 HydrophobicContact CB-CD1 3.87Å; V549-I552 HydrophobicContact CB-CG1 4.36Å; V549-I552 HydrophobicContact CG1-CD1 3.63Å; V549-I552 HydrophobicContact CG1-CG1 3.64Å; R550-I552 VanDerWaalsContact C-N 3.31Å; I552-L556 HydrophobicContact CG2-CB 4.11Å; I552-N557 HydrophobicContact CB-CB 4.25Å; I552-N557 HydrophobicContact CG2-CB 3.81Å; I552-L562 HydrophobicContact CD1-CD1 4.12Å; I552-L562 HydrophobicContact CD1-CD2 4Å; I552-E584 PolarHBondContact N-O 3.42Å; I552-E584 VanDerWaalsContact O-CA 3.22Å; I552-E584 WeakPolarHBondContact O-CA 3.24Å; I552-E584 WeakPolarHBondContact O-CB 3.28Å; I552-A586 HydrophobicContact CD1-CB 3.51Å; I552-I612 HydrophobicContact CB-CD1 4.4Å; I552-I612 HydrophobicContact CG1-CD1 4.4Å; I552-I612 HydrophobicContact CG1-CG2 3.91Å; I552-I612 HydrophobicContact CG2-CD1 4.13Å
553P80.2Confident81.9Confident38 Ų3856.7 Ų56.725%0.24730%0.302CS..  trans-57140.7171.4-24.634.9000110.1E555 L556 N557 N609P553-E555 PolarHBondContact O-N 3.36Å; P553-E555 VanDerWaalsContact O-N 3.15Å; P553-L556 HydrophobicContact CB-CB 4.47Å; P553-L556 HydrophobicContact CB-CD1 4.47Å; P553-L556 HydrophobicContact CB-CG 4.45Å; P553-L556 HydrophobicContact CG-CD1 4.12Å; P553-L556 CarbonylContact O-C 3.57Å; P553-L556 WeakPolarHBondContact O-CA 3.34Å; P553-L556 PolarHBondContact O-N 3.15Å; P553-N557 PolarHBondContact O-N 3.21Å; P553-N609 WeakPolarHBondContact CG-ND2 3.24Å
554P71Confident82.9Confident87 Ų8757.2 Ų57.257%0.56530%0.296SS*.THydrogen-bonded Turntrans-59.5-31.7-174.821.8-33000112.8L556 N557P554-L556 PolarHBondContact O-N 2.92Å; P554-N557 PolarHBondContact O-N 3.42Å
555E74.9Confident83.3Confident156 Ų15655.4 Ų55.473%0.72929%0.286SS*.THydrogen-bonded Turntrans-61.2-25.6172.6-58.8176.8170.400113.6P553P553-E555 PolarHBondContact O-N 3.36Å; P553-E555 VanDerWaalsContact O-N 3.15Å
556L71.9Confident83.5Confident54 Ų5454.4 Ų54.428%0.28328%0.278SS..THydrogen-bonded Turntrans-105.5-9.3-179.2-64.3-177.4000113.1I552 P553 P554 N558 L607I552-L556 HydrophobicContact CG2-CB 4.11Å; P553-L556 HydrophobicContact CB-CB 4.47Å; P553-L556 HydrophobicContact CB-CD1 4.47Å; P553-L556 HydrophobicContact CB-CG 4.45Å; P553-L556 HydrophobicContact CG-CD1 4.12Å; P553-L556 CarbonylContact O-C 3.57Å; P553-L556 WeakPolarHBondContact O-CA 3.34Å; P553-L556 PolarHBondContact O-N 3.15Å; P554-L556 PolarHBondContact O-N 2.92Å; L556-N558 PolarHBondContact O-N 3.32Å; L556-L607 HydrophobicContact CB-CD1 3.93Å; L556-L607 HydrophobicContact CD1-CB 4.44Å; L556-L607 WeakPolarHBondContact O-CD1 3.3Å
557N80.9Confident83.4Confident13 Ų1354.9 Ų54.97%0.0729%0.287CS..  trans-79.754.8176.7-159.92.9000111I552 P553 P554 L562 V577 P583 G585I552-N557 HydrophobicContact CB-CB 4.25Å; I552-N557 HydrophobicContact CG2-CB 3.81Å; P553-N557 PolarHBondContact O-N 3.21Å; P554-N557 PolarHBondContact O-N 3.42Å; N557-L562 WeakPolarHBondContact OD1-CD1 3.47Å; N557-V577 WeakPolarHBondContact O-CG1 3.41Å; N557-P583 PolarHBondContact ND2-O 3.16Å; N557-G585 PolarHBondContact ND2-O 2.85Å
558N83.6Confident83.2Confident81 Ų8160.8 Ų60.843%0.43331%0.313SS..  trans-111134.1178.9-175.1-43.5000109.2L556 S560 K561 L562L556-N558 PolarHBondContact O-N 3.32Å; N558-S560 PolarHBondContact O-N 2.79Å; N558-S560 WeakPolarHBondContact OD1-CB 3.28Å; N558-S560 PolarHBondContact OD1-N 3.44Å; N558-S560 PolarHBondContact OD1-OG 3.11Å; N558-K561 PolarHBondContact O-N 3.09Å; N558-L562 PolarHBondContact O-N 2.95Å
559I84.9Confident83Confident97 Ų9761 Ų6150%0.49731%0.313SS..Hα-helixtrans-49.4-44.2179.1-58.1175.7000110.5K561 N563 L575 V577I559-K561 PolarHBondContact O-N 3.3Å; I559-N563 WeakPolarHBondContact O-CB 3.41Å; I559-N563 PolarHBondContact O-N 2.86Å; I559-L575 HydrophobicContact CG1-CD2 4.47Å; I559-L575 HydrophobicContact CG2-CD1 4.37Å; I559-L575 HydrophobicContact CG2-CD2 4.38Å; I559-V577 HydrophobicContact CB-CG2 4.42Å; I559-V577 HydrophobicContact CG1-CB 4.19Å; I559-V577 HydrophobicContact CG1-CG2 3.56Å
560S85.3Confident82.8Confident82 Ų8261.4 Ų61.457%0.57332%0.318SS*.Hα-helixtrans-60.6-44.3-179.3-54.40000112.6N558 E564N558-S560 PolarHBondContact O-N 2.79Å; N558-S560 WeakPolarHBondContact OD1-CB 3.28Å; N558-S560 PolarHBondContact OD1-N 3.44Å; N558-S560 PolarHBondContact OD1-OG 3.11Å; S560-E564 VanDerWaalsContact O-CB 3.31Å; S560-E564 WeakPolarHBondContact O-CB 3.48Å; S560-E564 PolarHBondContact O-N 3.29Å
561K83.6Confident82.9Confident89 Ų8961 Ų6139%0.38733%0.325SS..Hα-helixtrans-74.2-44.9-178.4-78.9-73.1159-159.40111.6N558 I559 N563 E564 H565 L607N558-K561 PolarHBondContact O-N 3.09Å; I559-K561 PolarHBondContact O-N 3.3Å; K561-N563 VanDerWaalsContact C-N 3.3Å; K561-N563 PolarHBondContact O-N 2.95Å; K561-E564 WeakPolarHBondContact CD-OE2 3.25Å; K561-E564 VanDerWaalsContact CE-OE2 3.3Å; K561-E564 WeakPolarHBondContact CE-OE2 3.29Å; K561-E564 VanDerWaalsContact NZ-CD 3.34Å; K561-E564 IonicContact NZ-OE1 2.8Å; K561-E564 PolarHBondContact NZ-OE1 2.63Å; K561-E564 IonicContact NZ-OE2 2.67Å; K561-E564 PolarHBondContact NZ-OE2 3.3Å; K561-E564 PolarHBondContact O-N 2.96Å; K561-H565 PolarHBondContact O-N 3.36Å; K561-L607 HydrophobicContact CB-CD1 4.23Å; K561-L607 HydrophobicContact CB-CD2 3.92Å; K561-L607 HydrophobicContact CD-CD2 4.44Å; K561-L607 WeakPolarHBondContact O-CD2 3.46Å
562L84.9Confident83.4Confident0 Ų058.5 Ų58.50%031%0.314CS..Hα-helixtrans-61.7-39.6175-68.1171.5000111.2I552 N557 N558 H565 F566 L575 V577 A586 L607I552-L562 HydrophobicContact CD1-CD1 4.12Å; I552-L562 HydrophobicContact CD1-CD2 4Å; N557-L562 WeakPolarHBondContact OD1-CD1 3.47Å; N558-L562 PolarHBondContact O-N 2.95Å; L562-H565 PolarHBondContact O-N 3.29Å; L562-F566 HydrophobicContact CB-CD2 4.49Å; L562-F566 HydrophobicContact CD2-CD2 4.29Å; L562-F566 HydrophobicContact CD2-CE2 3.97Å; L562-F566 WeakPolarHBondContact O-CB 3.5Å; L562-F566 VanDerWaalsContact O-CD2 3.3Å; L562-F566 WeakPolarHBondContact O-CD2 3.46Å; L562-F566 PolarHBondContact O-N 3.18Å; L562-L575 HydrophobicContact CB-CD1 3.95Å; L562-L575 HydrophobicContact CB-CD2 4.17Å; L562-L575 HydrophobicContact CD1-CD2 4.11Å; L562-V577 HydrophobicContact CD1-CG2 3.99Å; L562-A586 HydrophobicContact CD1-CB 3.6Å; L562-L607 HydrophobicContact CD2-CD1 3.98Å
563N88.4Confident83.6Confident76 Ų7662.7 Ų62.741%0.40634%0.34SS..Hα-helixtrans-63.4-48.5173.7-171.729.3000111.9I559 K561 H565 F566 S567 L575I559-N563 WeakPolarHBondContact O-CB 3.41Å; I559-N563 PolarHBondContact O-N 2.86Å; K561-N563 VanDerWaalsContact C-N 3.3Å; K561-N563 PolarHBondContact O-N 2.95Å; N563-H565 VanDerWaalsContact C-N 3.25Å; N563-H565 PolarHBondContact O-N 3.1Å; N563-F566 PolarHBondContact O-N 3.28Å; N563-S567 WeakPolarHBondContact O-CB 3.37Å; N563-S567 PolarHBondContact O-N 3.13Å; N563-S567 PolarHBondContact O-OG 3.16Å; N563-L575 HydrophobicContact CB-CD1 4.02Å
564E87.9Confident83.8Confident106 Ų10665.1 Ų65.150%0.49535%0.351SS..Hα-helixtrans-55.5-36.2176.5-178.7-173.3163.700113.2S560 K561S560-E564 VanDerWaalsContact O-CB 3.31Å; S560-E564 WeakPolarHBondContact O-CB 3.48Å; S560-E564 PolarHBondContact O-N 3.29Å; K561-E564 WeakPolarHBondContact CD-OE2 3.25Å; K561-E564 VanDerWaalsContact CE-OE2 3.3Å; K561-E564 WeakPolarHBondContact CE-OE2 3.29Å; K561-E564 VanDerWaalsContact NZ-CD 3.34Å; K561-E564 IonicContact NZ-OE1 2.8Å; K561-E564 PolarHBondContact NZ-OE1 2.63Å; K561-E564 IonicContact NZ-OE2 2.67Å; K561-E564 PolarHBondContact NZ-OE2 3.3Å; K561-E564 PolarHBondContact O-N 2.96Å
565H83Confident84.7Confident7 Ų762.3 Ų62.33%0.03233%0.331CS..Hα-helixtrans-79.1-52.5174.5-178.7-93.6000112.8K561 L562 N563 K568 F569 E604 L607K561-H565 PolarHBondContact O-N 3.36Å; L562-H565 PolarHBondContact O-N 3.29Å; N563-H565 VanDerWaalsContact C-N 3.25Å; N563-H565 PolarHBondContact O-N 3.1Å; H565-K568 WeakPolarHBondContact O-CB 3.42Å; H565-K568 WeakPolarHBondContact O-CG 3.48Å; H565-F569 AromaticContact CE1-CE2 3.59Å; H565-F569 AromaticContact NE2-CE2 3.92Å; H565-F569 WeakPolarHBondContact O-CE2 3.25Å; H565-E604 IonicContact CD2-OE1 3.11Å; H565-L607 HydrophobicContact CB-CD2 3.85Å; H565-L607 HydrophobicContact CB-CG 4.48Å
566F86.9Confident85.1Confident0 Ų059.2 Ų59.20%032%0.316CS..Hα-helixtrans-80.3-24.5-167.7-76.8-77.6000113.8V549 L562 N563 K568 F569 I572 I588 F590 A599 V606 V614V549-F566 HydrophobicContact CG1-CZ 4.5Å; V549-F566 HydrophobicContact CG2-CE2 4.11Å; V549-F566 HydrophobicContact CG2-CZ 3.81Å; L562-F566 HydrophobicContact CB-CD2 4.49Å; L562-F566 HydrophobicContact CD2-CD2 4.29Å; L562-F566 HydrophobicContact CD2-CE2 3.97Å; L562-F566 WeakPolarHBondContact O-CB 3.5Å; L562-F566 VanDerWaalsContact O-CD2 3.3Å; L562-F566 WeakPolarHBondContact O-CD2 3.46Å; L562-F566 PolarHBondContact O-N 3.18Å; N563-F566 PolarHBondContact O-N 3.28Å; F566-K568 PolarHBondContact O-N 2.92Å; F566-F569 PolarHBondContact O-N 3.03Å; F566-F569 VanDerWaalsContact O-N 3.08Å; F566-I572 HydrophobicContact CB-CD1 3.7Å; F566-I588 HydrophobicContact CB-CD1 4.19Å; F566-I588 HydrophobicContact CB-CG2 4.5Å; F566-I588 HydrophobicContact CD1-CD1 4.15Å; F566-I588 HydrophobicContact CD2-CD1 3.21Å; F566-I588 HydrophobicContact CE1-CD1 4.36Å; F566-I588 HydrophobicContact CE2-CD1 3.48Å; F566-I588 VanDerWaalsContact CE2-CD1 3.48Å; F566-I588 HydrophobicContact CG-CD1 3.58Å; F566-I588 HydrophobicContact CZ-CD1 4.05Å; F566-F590 HydrophobicContact CB-CZ 4.04Å; F566-F590 HydrophobicContact CD1-CZ 4.15Å; F566-F590 WeakPolarHBondContact O-CE1 3.48Å; F566-A599 HydrophobicContact CD1-CB 4.2Å; F566-A599 HydrophobicContact CE1-CB 4.47Å; F566-V606 HydrophobicContact CE1-CG2 4.4Å; F566-V606 HydrophobicContact CE2-CG1 3.55Å; F566-V606 HydrophobicContact CE2-CG2 4.41Å; F566-V606 HydrophobicContact CZ-CB 4.38Å; F566-V606 HydrophobicContact CZ-CG1 3.69Å; F566-V606 HydrophobicContact CZ-CG2 3.7Å; F566-V614 HydrophobicContact CE1-CG2 4.25Å; F566-V614 HydrophobicContact CZ-CG2 4Å
567S87.5Confident85.7Confident60 Ų6058.7 Ų58.742%0.4232%0.316SS..G310 helixtrans-60.5-25.4173.658.30000113.5N563 F569 G570N563-S567 WeakPolarHBondContact O-CB 3.37Å; N563-S567 PolarHBondContact O-N 3.13Å; N563-S567 PolarHBondContact O-OG 3.16Å; S567-F569 PolarHBondContact O-N 3.01Å; S567-F569 VanDerWaalsContact O-N 3.15Å; S567-G570 WeakPolarHBondContact CA-O 3.17Å; S567-G570 PolarHBondContact O-N 2.71Å
568K84.8Confident85.5Confident124 Ų12460 Ų6054%0.53933%0.328SS..G310 helixtrans-56.6-27.3173-61.4-178.2-177.5-170.70113.5H565 F566 E604H565-K568 WeakPolarHBondContact O-CB 3.42Å; H565-K568 WeakPolarHBondContact O-CG 3.48Å; F566-K568 PolarHBondContact O-N 2.92Å; K568-E604 IonicContact NZ-OE1 2.64Å; K568-E604 PolarHBondContact NZ-OE1 2.83Å; K568-E604 IonicContact NZ-OE2 3.77Å
569F85.2Confident85.3Confident26 Ų2658 Ų5811%0.11432%0.315CS..G310 helixtrans-102.8-9.7-173-54.2-70.8000113.3H565 F566 S567 R598 A599 E604H565-F569 AromaticContact CE1-CE2 3.59Å; H565-F569 AromaticContact NE2-CE2 3.92Å; H565-F569 WeakPolarHBondContact O-CE2 3.25Å; F566-F569 PolarHBondContact O-N 3.03Å; F566-F569 VanDerWaalsContact O-N 3.08Å; S567-F569 PolarHBondContact O-N 3.01Å; S567-F569 VanDerWaalsContact O-N 3.15Å; F569-R598 HydrophobicContact CB-CB 4.44Å; F569-R598 VanDerWaalsContact O-CZ 3.3Å; F569-R598 PolarHBondContact O-NE 3.44Å; F569-R598 PolarHBondContact O-NH2 2.74Å; F569-A599 HydrophobicContact CB-CB 3.72Å; F569-A599 HydrophobicContact CD2-CB 4.23Å; F569-A599 HydrophobicContact CG-CB 4.04Å; F569-E604 HydrophobicContact CZ-CB 4.35Å
570G85.9Confident84.6Confident10 Ų1058.6 Ų58.610%0.10332%0.315CS..SBendtrans157.4175.5176.800000113.6S567 E595S567-G570 WeakPolarHBondContact CA-O 3.17Å; S567-G570 PolarHBondContact O-N 2.71Å; G570-E595 WeakPolarHBondContact CA-OE1 3.29Å
571T87Confident83.4Confident83 Ų8362 Ų6251%0.50933%0.327SS..  trans-76.1128.3179.834.50000111.6F590 T591 E595T571-F590 CarbonylContact O-C 3.54Å; T571-F590 WeakPolarHBondContact O-CA 3.4Å; T571-T591 PolarHBondContact O-N 3.14Å; T571-T591 WeakPolarHBondContact OG1-CG2 3.21Å; T571-T591 PolarHBondContact OG1-OG1 3.08Å; T571-E595 PolarHBondContact N-OE1 3.17Å
572I89.1Confident82.8Confident39 Ų3960.5 Ų60.520%0.232%0.323CS..EExtended strand (participates in β ladder)trans-91.6124.1-179.6-52177.8000109.2F566 N574 L575 I588 Q589 F590F566-I572 HydrophobicContact CB-CD1 3.7Å; I572-N574 WeakPolarHBondContact CG2-O 3.47Å; I572-L575 HydrophobicContact CD1-CD1 4.17Å; I572-L575 HydrophobicContact CG2-CB 4.06Å; I572-I588 HydrophobicContact CD1-CG2 4.17Å; I572-I588 HydrophobicContact CG1-CG2 4.33Å; I572-I588 HydrophobicContact CG2-CG2 3.86Å; I572-Q589 CarbonylContact C-O 3.48Å; I572-Q589 WeakPolarHBondContact CG2-O 3.45Å; I572-F590 HydrophobicContact CG1-CD1 4.41Å; I572-F590 HydrophobicContact CG1-CE1 4.06Å; I572-F590 HydrophobicContact CG1-CZ 4.49Å
573V88.8Confident82.1Confident88 Ų8864.3 Ų64.353%0.53335%0.348SS..EExtended strand (participates in β ladder)trans-85.6-39.5176.5175.10000111.6Q589 T591V573-Q589 HydrophobicContact CB-CG 4.41Å; V573-Q589 PolarHBondContact N-O 2.72Å; V573-T591 HydrophobicContact CG2-CG2 3.48Å; V573-T591 VanDerWaalsContact CG2-CG2 3.48Å
574N84.6Confident81.6Confident90 Ų9065.3 Ų65.348%0.48135%0.35SS..EExtended strand (participates in β ladder)trans-147.8137-178.9-168.7-11.9000109.6I572 Q589I572-N574 WeakPolarHBondContact CG2-O 3.47Å; N574-Q589 HydrophobicContact CB-CB 4.09Å; N574-Q589 PolarHBondContact N-O 2.77Å; N574-Q589 PolarHBondContact O-N 2.83Å
575L88.7Confident81.4Confident27 Ų2760.3 Ų60.314%0.14133%0.327CS..EExtended strand (participates in β ladder)trans-137.1100.7-179.9-162170.9000108.5I559 L562 N563 I572 V577 I588I559-L575 HydrophobicContact CG1-CD2 4.47Å; I559-L575 HydrophobicContact CG2-CD1 4.37Å; I559-L575 HydrophobicContact CG2-CD2 4.38Å; L562-L575 HydrophobicContact CB-CD1 3.95Å; L562-L575 HydrophobicContact CB-CD2 4.17Å; L562-L575 HydrophobicContact CD1-CD2 4.11Å; N563-L575 HydrophobicContact CB-CD1 4.02Å; I572-L575 HydrophobicContact CD1-CD1 4.17Å; I572-L575 HydrophobicContact CG2-CB 4.06Å; L575-V577 HydrophobicContact CD2-CG2 4.03Å; L575-I588 HydrophobicContact CG-CG1 4.34Å
576Q84Confident81.7Confident91 Ų9160 Ų6043%0.42533%0.325SS..EExtended strand (participates in β ladder)trans-101.7104.6178.6-172.2173.8800110.1Y579 A586 L587Q576-Y579 HydrophobicContact CG-CD2 4.36Å; Q576-A586 CarbonylContact O-C 3.57Å; Q576-A586 VanDerWaalsContact O-CA 3.23Å; Q576-A586 WeakPolarHBondContact O-CA 3.46Å; Q576-L587 HydrophobicContact CB-CB 4.39Å; Q576-L587 PolarHBondContact N-O 2.8Å; Q576-L587 PolarHBondContact O-N 3.2Å
577V83.9Confident81.8Confident44 Ų4461 Ų6127%0.26733%0.331SS..EExtended strand (participates in β ladder)trans-66.3152.9164.61600000110.2N557 I559 L562 L575 Y579N557-V577 WeakPolarHBondContact O-CG1 3.41Å; I559-V577 HydrophobicContact CB-CG2 4.42Å; I559-V577 HydrophobicContact CG1-CB 4.19Å; I559-V577 HydrophobicContact CG1-CG2 3.56Å; L562-V577 HydrophobicContact CD1-CG2 3.99Å; L575-V577 HydrophobicContact CD2-CG2 4.03Å; V577-Y579 VanDerWaalsContact C-N 3.31Å; V577-Y579 PolarHBondContact O-N 3.26Å
578A78Confident82Confident40 Ų4058.1 Ų58.133%0.33131%0.311SS..THydrogen-bonded Turntrans53.641.5179.500000114.3Q580 N581 D582 G585A578-Q580 PolarHBondContact O-N 2.91Å; A578-N581 WeakPolarHBondContact O-CA 3.44Å; A578-N581 PolarHBondContact O-N 2.77Å; A578-D582 CarbonylContact C-O 3.52Å; A578-D582 WeakPolarHBondContact CA-O 3.25Å; A578-G585 VanDerWaalsContact CA-O 3.3Å; A578-G585 WeakPolarHBondContact CA-O 3.33Å; A578-G585 PolarHBondContact N-O 3.04Å
579Y77.7Confident82.2Confident39 Ų3955.1 Ų55.115%0.15330%0.299CS..G310 helixtrans-58.2136.2-177.1-176.3-106.8000111.9L548 Q576 V577 N581 D582 G585 L587 F617L548-Y579 HydrophobicContact CD1-CD1 3.61Å; L548-Y579 HydrophobicContact CD1-CE1 4.19Å; L548-Y579 HydrophobicContact CD1-CG 4.45Å; Q576-Y579 HydrophobicContact CG-CD2 4.36Å; V577-Y579 VanDerWaalsContact C-N 3.31Å; V577-Y579 PolarHBondContact O-N 3.26Å; Y579-N581 PolarHBondContact O-N 3.33Å; Y579-D582 WeakPolarHBondContact O-CB 3.46Å; Y579-D582 PolarHBondContact O-N 2.75Å; Y579-D582 VanDerWaalsContact O-N 3.08Å; Y579-G585 PolarHBondContact N-O 3.39Å; Y579-L587 HydrophobicContact CD1-CB 4.31Å; Y579-L587 HydrophobicContact CD2-CB 3.69Å; Y579-L587 HydrophobicContact CD2-CD2 3.81Å; Y579-L587 HydrophobicContact CD2-CG 4.4Å; Y579-L587 HydrophobicContact CE2-CB 4.24Å; Y579-L587 HydrophobicContact CE2-CD2 3.48Å; Y579-L587 VanDerWaalsContact CE2-CD2 3.48Å; Y579-L587 HydrophobicContact CE2-CG 4.48Å; Y579-L587 HydrophobicContact CG-CB 3.75Å; Y579-L587 HydrophobicContact CG-CD2 4.49Å; Y579-F617 HydrophobicContact CE1-CD2 4.43Å; Y579-F617 AromaticContact CE1-CE2 3.67Å; Y579-F617 HydrophobicContact CE1-CE2 3.67Å; Y579-F617 HydrophobicContact CE1-CZ 4.41Å; Y579-F617 AromaticContact CZ-CE2 3.74Å; Y579-F617 WeakPolarHBondContact OH-CE2 3.48Å; Y579-F617 WeakPolarHBondContact OH-CZ 3.48Å
580Q70.4Confident82.5Confident110 Ų11054 Ų5451%0.51429%0.294SS..G310 helixtrans58.618.1-173.5-70.9173.6-0.800115.5A578 D582A578-Q580 PolarHBondContact O-N 2.91Å; Q580-D582 PolarHBondContact O-N 3.31Å
581N59.9Low82.7Confident152 Ų15257.5 Ų57.581%0.81331%0.313SS*.G310 helixtrans67.612.3-169.9-44.8-70.6000114.4A578 Y579 P583A578-N581 WeakPolarHBondContact O-CA 3.44Å; A578-N581 PolarHBondContact O-N 2.77Å; Y579-N581 PolarHBondContact O-N 3.33Å; N581-P583 WeakPolarHBondContact O-CD 3.49Å
582D72.4Confident82.7Confident58 Ų5855.2 Ų55.231%0.3130%0.301SS..  trans-74.1110.3165.3-74.8-19.3000108.2R550 A578 Y579 Q580 E584 G585R550-D582 IonicContact CZ-OD2 3.73Å; R550-D582 VanDerWaalsContact CZ-OD2 3.3Å; R550-D582 IonicContact NE-OD2 2.69Å; R550-D582 PolarHBondContact NE-OD2 2.85Å; R550-D582 VanDerWaalsContact NE-OD2 3.1Å; R550-D582 IonicContact NH2-OD2 3.89Å; R550-D582 PolarHBondContact NH2-OD2 2.97Å; A578-D582 CarbonylContact C-O 3.52Å; A578-D582 WeakPolarHBondContact CA-O 3.25Å; Y579-D582 WeakPolarHBondContact O-CB 3.46Å; Y579-D582 PolarHBondContact O-N 2.75Å; Y579-D582 VanDerWaalsContact O-N 3.08Å; Q580-D582 PolarHBondContact O-N 3.31Å; D582-E584 PolarHBondContact O-N 3.49Å; D582-G585 PolarHBondContact O-N 3.32Å
583P69.6Low82.6Confident81 Ų8155 Ų5553%0.52630%0.302SS..THydrogen-bonded Turntrans-66-11.4175.629.7-36.3000112.7N557 N581N557-P583 PolarHBondContact ND2-O 3.16Å; N581-P583 WeakPolarHBondContact O-CD 3.49Å
584E78.3Confident82.5Confident97 Ų9757.2 Ų57.245%0.45331%0.306SS..THydrogen-bonded Turntrans-961.3172.3-55.5-169.4170.700114.5R550 Q551 I552 D582R550-E584 CarbonylContact C-O 3.57Å; R550-E584 WeakPolarHBondContact CA-O 3.2Å; Q551-E584 PolarHBondContact N-O 3.01Å; I552-E584 PolarHBondContact N-O 3.42Å; I552-E584 VanDerWaalsContact O-CA 3.22Å; I552-E584 WeakPolarHBondContact O-CA 3.24Å; I552-E584 WeakPolarHBondContact O-CB 3.28Å; D582-E584 PolarHBondContact O-N 3.49Å
585G84Confident82.8Confident0 Ų054 Ų540%029%0.288CS..EExtended strand (participates in β ladder)trans-107.4144.3-176.400000113.2V549 N557 A578 Y579 D582V549-G585 CarbonylContact O-C 3.59Å; V549-G585 WeakPolarHBondContact O-CA 3.04Å; N557-G585 PolarHBondContact ND2-O 2.85Å; A578-G585 VanDerWaalsContact CA-O 3.3Å; A578-G585 WeakPolarHBondContact CA-O 3.33Å; A578-G585 PolarHBondContact N-O 3.04Å; Y579-G585 PolarHBondContact N-O 3.39Å; D582-G585 PolarHBondContact O-N 3.32Å
586A88.2Confident82.7Confident0 Ų052.7 Ų52.70%028%0.282CS..EExtended strand (participates in β ladder)trans-143.2144166.200000111.2V549 I552 L562 Q576V549-A586 PolarHBondContact N-O 2.95Å; V549-A586 PolarHBondContact O-N 3.14Å; I552-A586 HydrophobicContact CD1-CB 3.51Å; L562-A586 HydrophobicContact CD1-CB 3.6Å; Q576-A586 CarbonylContact O-C 3.57Å; Q576-A586 VanDerWaalsContact O-CA 3.23Å; Q576-A586 WeakPolarHBondContact O-CA 3.46Å
587L90.3Very high82.8Confident21 Ų2151.3 Ų51.311%0.1127%0.274CS..EExtended strand (participates in β ladder)trans-108.9126.5174.6177.962.4000109.3K546 Q576 Y579 F617K546-L587 HydrophobicContact CB-CD1 4.22Å; Q576-L587 HydrophobicContact CB-CB 4.39Å; Q576-L587 PolarHBondContact N-O 2.8Å; Q576-L587 PolarHBondContact O-N 3.2Å; Y579-L587 HydrophobicContact CD1-CB 4.31Å; Y579-L587 HydrophobicContact CD2-CB 3.69Å; Y579-L587 HydrophobicContact CD2-CD2 3.81Å; Y579-L587 HydrophobicContact CD2-CG 4.4Å; Y579-L587 HydrophobicContact CE2-CB 4.24Å; Y579-L587 HydrophobicContact CE2-CD2 3.48Å; Y579-L587 VanDerWaalsContact CE2-CD2 3.48Å; Y579-L587 HydrophobicContact CE2-CG 4.48Å; Y579-L587 HydrophobicContact CG-CB 3.75Å; Y579-L587 HydrophobicContact CG-CD2 4.49Å; L587-F617 HydrophobicContact CD1-CB 3.74Å; L587-F617 HydrophobicContact CD1-CD1 3.87Å; L587-F617 HydrophobicContact CD1-CD2 3.68Å; L587-F617 HydrophobicContact CD1-CE1 4.35Å; L587-F617 HydrophobicContact CD1-CE2 4.23Å; L587-F617 HydrophobicContact CD1-CG 3.47Å; L587-F617 VanDerWaalsContact CD1-CG 3.47Å; L587-F617 HydrophobicContact CD2-CE1 4.33Å; L587-F617 HydrophobicContact CD2-CE2 4.41Å; L587-F617 HydrophobicContact CD2-CZ 4.23Å
588I91.1Very high83Confident0 Ų055.7 Ų55.70%029%0.286CS..EExtended strand (participates in β ladder)trans-123.8124.2-176.5-51.2-174.2000108.9K546 L547 V549 F566 I572 L575 F590K546-I588 CarbonylContact C-O 3.57Å; K546-I588 WeakPolarHBondContact CA-O 3.41Å; L547-I588 PolarHBondContact N-O 2.69Å; L547-I588 PolarHBondContact O-N 3.34Å; V549-I588 HydrophobicContact CG2-CD1 3.75Å; V549-I588 HydrophobicContact CG2-CG1 4.15Å; F566-I588 HydrophobicContact CB-CD1 4.19Å; F566-I588 HydrophobicContact CB-CG2 4.5Å; F566-I588 HydrophobicContact CD1-CD1 4.15Å; F566-I588 HydrophobicContact CD2-CD1 3.21Å; F566-I588 HydrophobicContact CE1-CD1 4.36Å; F566-I588 HydrophobicContact CE2-CD1 3.48Å; F566-I588 VanDerWaalsContact CE2-CD1 3.48Å; F566-I588 HydrophobicContact CG-CD1 3.58Å; F566-I588 HydrophobicContact CZ-CD1 4.05Å; I572-I588 HydrophobicContact CD1-CG2 4.17Å; I572-I588 HydrophobicContact CG1-CG2 4.33Å; I572-I588 HydrophobicContact CG2-CG2 3.86Å; L575-I588 HydrophobicContact CG-CG1 4.34Å; I588-F590 HydrophobicContact CG2-CD2 4.35Å; I588-F590 HydrophobicContact CG2-CE2 3.82Å; I588-F590 HydrophobicContact CG2-CZ 4.23Å
589Q89.9Confident83.4Confident61 Ų6153.9 Ų53.929%0.28527%0.271SS..EExtended strand (participates in β ladder)trans-114.1123.1177.1-176.1174.4-40.300110A545 K546 I572 V573 N574A545-Q589 WeakPolarHBondContact O-CA 3.41Å; K546-Q589 HydrophobicContact CG-CB 4.14Å; K546-Q589 HydrophobicContact CG-CG 3.94Å; I572-Q589 CarbonylContact C-O 3.48Å; I572-Q589 WeakPolarHBondContact CG2-O 3.45Å; V573-Q589 HydrophobicContact CB-CG 4.41Å; V573-Q589 PolarHBondContact N-O 2.72Å; N574-Q589 HydrophobicContact CB-CB 4.09Å; N574-Q589 PolarHBondContact N-O 2.77Å; N574-Q589 PolarHBondContact O-N 2.83Å
590F91.6Very high83.8Confident2 Ų254.9 Ų54.91%0.00928%0.278CS..EExtended strand (participates in β ladder)trans-89.4165.4175.5-73-89.4000112.4A545 L547 F566 T571 I572 I588 E595 A596 A599A545-F590 PolarHBondContact O-N 3.45Å; L547-F590 HydrophobicContact CD1-CD2 4.39Å; L547-F590 HydrophobicContact CD1-CE2 3.84Å; L547-F590 HydrophobicContact CG-CE2 4.43Å; F566-F590 HydrophobicContact CB-CZ 4.04Å; F566-F590 HydrophobicContact CD1-CZ 4.15Å; F566-F590 WeakPolarHBondContact O-CE1 3.48Å; T571-F590 CarbonylContact O-C 3.54Å; T571-F590 WeakPolarHBondContact O-CA 3.4Å; I572-F590 HydrophobicContact CG1-CD1 4.41Å; I572-F590 HydrophobicContact CG1-CE1 4.06Å; I572-F590 HydrophobicContact CG1-CZ 4.49Å; I588-F590 HydrophobicContact CG2-CD2 4.35Å; I588-F590 HydrophobicContact CG2-CE2 3.82Å; I588-F590 HydrophobicContact CG2-CZ 4.23Å; F590-E595 HydrophobicContact CB-CB 3.98Å; F590-E595 HydrophobicContact CD1-CB 3.78Å; F590-E595 HydrophobicContact CG-CB 4.03Å; F590-A596 HydrophobicContact CB-CB 4.4Å; F590-A596 HydrophobicContact CD2-CB 3.87Å; F590-A596 HydrophobicContact CG-CB 4.38Å; F590-A599 HydrophobicContact CE2-CB 3.96Å; F590-A599 HydrophobicContact CZ-CB 3.79Å
591T89.9Confident84.3Confident85 Ų8557 Ų5752%0.52129%0.288SS..SBendtrans-68.7-37.917369.20000111.7T571 V573 E595T571-T591 PolarHBondContact O-N 3.14Å; T571-T591 WeakPolarHBondContact OG1-CG2 3.21Å; T571-T591 PolarHBondContact OG1-OG1 3.08Å; V573-T591 HydrophobicContact CG2-CG2 3.48Å; V573-T591 VanDerWaalsContact CG2-CG2 3.48Å; T591-E595 PolarHBondContact N-OE2 3.44Å; T591-E595 PolarHBondContact OG1-OE2 2.87Å
592S87.2Confident85.3Confident34 Ų3451.4 Ų51.424%0.23826%0.26CS..SBendtrans-121.6142.5179.91580000112.9E594 E595 A596S592-E594 PolarHBondContact O-N 3.3Å; S592-E594 VanDerWaalsContact O-N 3.14Å; S592-E594 PolarHBondContact OG-N 3.26Å; S592-E594 VanDerWaalsContact OG-N 3.08Å; S592-E595 PolarHBondContact N-OE2 2.62Å; S592-E595 WeakPolarHBondContact O-CB 3.41Å; S592-E595 PolarHBondContact O-N 2.77Å; S592-E595 VanDerWaalsContact O-N 3.15Å; S592-A596 PolarHBondContact O-N 3.11Å
593P86.3Confident85Confident35 Ų3555.9 Ų55.923%0.22729%0.29CS..Hα-helixtrans-66.8-9.6174.132.4-39.2000113.1P543 N544 A545 K597P543-P593 HydrophobicContact CB-CB 3.9Å; P543-P593 HydrophobicContact CB-CG 3.83Å; N544-P593 WeakPolarHBondContact O-CB 3.26Å; A545-P593 HydrophobicContact CB-CB 4.42Å; P593-K597 VanDerWaalsContact O-CD 3.29Å; P593-K597 WeakPolarHBondContact O-CD 3.43Å; P593-K597 VanDerWaalsContact O-CE 3.27Å; P593-K597 WeakPolarHBondContact O-CE 3.46Å; P593-K597 WeakPolarHBondContact O-CG 3.44Å; P593-K597 PolarHBondContact O-N 3.37Å
594E87Confident85.2Confident134 Ų13455.7 Ų55.763%0.62628%0.282SS*.Hα-helixtrans-83.1-34.7173.5-55.1-165.3148.700111.5S592 K597 R598S592-E594 PolarHBondContact O-N 3.3Å; S592-E594 VanDerWaalsContact O-N 3.14Å; S592-E594 PolarHBondContact OG-N 3.26Å; S592-E594 VanDerWaalsContact OG-N 3.08Å; E594-K597 WeakPolarHBondContact O-CB 3.19Å; E594-K597 PolarHBondContact O-N 2.87Å; E594-K597 VanDerWaalsContact O-N 3.15Å; E594-R598 WeakPolarHBondContact O-CG 3.5Å; E594-R598 PolarHBondContact O-N 2.81Å
595E89.7Confident85Confident23 Ų2352.1 Ų52.111%0.10727%0.27CS..Hα-helixtrans-64.2-45.4173.1-55.6-174.8115.800111.1G570 T571 F590 T591 S592 K597 R598 A599G570-E595 WeakPolarHBondContact CA-OE1 3.29Å; T571-E595 PolarHBondContact N-OE1 3.17Å; F590-E595 HydrophobicContact CB-CB 3.98Å; F590-E595 HydrophobicContact CD1-CB 3.78Å; F590-E595 HydrophobicContact CG-CB 4.03Å; T591-E595 PolarHBondContact N-OE2 3.44Å; T591-E595 PolarHBondContact OG1-OE2 2.87Å; S592-E595 PolarHBondContact N-OE2 2.62Å; S592-E595 WeakPolarHBondContact O-CB 3.41Å; S592-E595 PolarHBondContact O-N 2.77Å; S592-E595 VanDerWaalsContact O-N 3.15Å; E595-K597 PolarHBondContact O-N 3.18Å; E595-R598 WeakPolarHBondContact O-CA 3.48Å; E595-R598 WeakPolarHBondContact O-CB 3.49Å; E595-R598 PolarHBondContact O-N 3.3Å; E595-R598 IonicContact OE1-NH2 2.63Å; E595-A599 PolarHBondContact O-N 2.88Å
596A86.9Confident84.5Confident0 Ų052.6 Ų52.60%027%0.273CS..Hα-helixtrans-59.4-34172.600000112.2L547 F590 S592 M600 W616L547-A596 HydrophobicContact CD1-CB 4.3Å; L547-A596 HydrophobicContact CD2-CB 4.13Å; L547-A596 HydrophobicContact CG-CB 4.11Å; F590-A596 HydrophobicContact CB-CB 4.4Å; F590-A596 HydrophobicContact CD2-CB 3.87Å; F590-A596 HydrophobicContact CG-CB 4.38Å; S592-A596 PolarHBondContact O-N 3.11Å; A596-M600 PolarHBondContact O-N 3.37Å; A596-M600 VanDerWaalsContact O-N 3.11Å; A596-W616 HydrophobicContact CB-CH2 3.84Å; A596-W616 HydrophobicContact CB-CZ3 3.75Å
597K87.4Confident83.6Confident62 Ų6254.1 Ų54.127%0.2728%0.28SS..Hα-helixtrans-68.5-40.2172.7-71.7161.9-160.9161.60111.5P593 E594 E595 M600 Q601 W616P593-K597 VanDerWaalsContact O-CD 3.29Å; P593-K597 WeakPolarHBondContact O-CD 3.43Å; P593-K597 VanDerWaalsContact O-CE 3.27Å; P593-K597 WeakPolarHBondContact O-CE 3.46Å; P593-K597 WeakPolarHBondContact O-CG 3.44Å; P593-K597 PolarHBondContact O-N 3.37Å; E594-K597 WeakPolarHBondContact O-CB 3.19Å; E594-K597 PolarHBondContact O-N 2.87Å; E594-K597 VanDerWaalsContact O-N 3.15Å; E595-K597 PolarHBondContact O-N 3.18Å; K597-M600 PolarHBondContact O-N 3.05Å; K597-Q601 WeakPolarHBondContact O-CB 3.4Å; K597-Q601 VanDerWaalsContact O-CG 3.27Å; K597-Q601 WeakPolarHBondContact O-CG 3.07Å; K597-Q601 PolarHBondContact O-N 3.44Å; K597-W616 HydrophobicContact CB-CH2 4.45Å; K597-W616 HydrophobicContact CB-CZ2 4.49Å; K597-W616 HydrophobicContact CG-CH2 3.7Å; K597-W616 HydrophobicContact CG-CZ2 3.71Å
598R87.3Confident83Confident135 Ų13560 Ų6051%0.50931%0.312SS..Hα-helixtrans-59.9-48173.3-64-170.3-58.9-145.84.4111F569 E594 E595 M600 Q601 S602F569-R598 HydrophobicContact CB-CB 4.44Å; F569-R598 VanDerWaalsContact O-CZ 3.3Å; F569-R598 PolarHBondContact O-NE 3.44Å; F569-R598 PolarHBondContact O-NH2 2.74Å; E594-R598 WeakPolarHBondContact O-CG 3.5Å; E594-R598 PolarHBondContact O-N 2.81Å; E595-R598 WeakPolarHBondContact O-CA 3.48Å; E595-R598 WeakPolarHBondContact O-CB 3.49Å; E595-R598 PolarHBondContact O-N 3.3Å; E595-R598 IonicContact OE1-NH2 2.63Å; R598-M600 PolarHBondContact O-N 3.5Å; R598-Q601 PolarHBondContact O-N 3.08Å; R598-Q601 VanDerWaalsContact O-N 3.08Å; R598-S602 PolarHBondContact O-N 3.14Å
599A87.4Confident82.4Confident3 Ų361.6 Ų61.63%0.02532%0.321CS..Hα-helixtrans-64.9-18.6177.700000114.7L547 F566 F569 F590 E595 S602L547-A599 HydrophobicContact CD1-CB 3.82Å; F566-A599 HydrophobicContact CD1-CB 4.2Å; F566-A599 HydrophobicContact CE1-CB 4.47Å; F569-A599 HydrophobicContact CB-CB 3.72Å; F569-A599 HydrophobicContact CD2-CB 4.23Å; F569-A599 HydrophobicContact CG-CB 4.04Å; F590-A599 HydrophobicContact CE2-CB 3.96Å; F590-A599 HydrophobicContact CZ-CB 3.79Å; E595-A599 PolarHBondContact O-N 2.88Å; A599-S602 PolarHBondContact O-OG 3.27Å
600M84.1Confident81.7Confident60 Ų6069.5 Ų69.530%0.29635%0.348SS..Hα-helixtrans-96-14.8171.7-80.3-148.266.800114.5L547 A596 K597 R598 V614 W616L547-M600 HydrophobicContact CD1-CG 3.87Å; L547-M600 HydrophobicContact CD2-CG 3.56Å; L547-M600 HydrophobicContact CD2-SD 3.64Å; L547-M600 HydrophobicContact CG-CG 4.38Å; A596-M600 PolarHBondContact O-N 3.37Å; A596-M600 VanDerWaalsContact O-N 3.11Å; K597-M600 PolarHBondContact O-N 3.05Å; R598-M600 PolarHBondContact O-N 3.5Å; M600-V614 WeakPolarHBondContact CE-O 3.1Å; M600-V614 HydrophobicContact CG-CG1 3.82Å; M600-V614 HydrophobicContact SD-CG1 4.4Å; M600-W616 HydrophobicContact CB-CZ2 4.42Å; M600-W616 HydrophobicContact CG-CZ2 4.34Å; M600-W616 HydrophobicContact SD-CD2 3.63Å; M600-W616 HydrophobicContact SD-CE3 4.29Å; M600-W616 HydrophobicContact SD-CG 3.74Å; M600-W616 HydrophobicContact SD-CZ2 3.93Å; M600-W616 PolarHBondContact SD-NE1 2.83Å; M600-W616 VanDerWaalsContact SD-NE1 3.45Å
601Q81.8Confident81.1Confident155 Ų15576.9 Ų76.972%0.72438%0.38SS*.Hα-helixtrans-104.1-11.5179.2-69.3176.19.100112.6K597 R598 T603K597-Q601 WeakPolarHBondContact O-CB 3.4Å; K597-Q601 VanDerWaalsContact O-CG 3.27Å; K597-Q601 WeakPolarHBondContact O-CG 3.07Å; K597-Q601 PolarHBondContact O-N 3.44Å; R598-Q601 PolarHBondContact O-N 3.08Å; R598-Q601 VanDerWaalsContact O-N 3.08Å; Q601-T603 PolarHBondContact O-N 2.69Å
602S81.7Confident80.8Confident33 Ų3373.5 Ų73.523%0.23136%0.359CS..  trans-59.9124.9172.954.10000111.5R598 A599 E604R598-S602 PolarHBondContact O-N 3.14Å; A599-S602 PolarHBondContact O-OG 3.27Å; S602-E604 PolarHBondContact O-N 3Å
603T65.8Low80.6Confident153 Ų15376.3 Ų76.394%0.93937%0.367SS*.  trans-80.40.6172.4540000113.2Q601Q601-T603 PolarHBondContact O-N 2.69Å
604E73.1Confident80.7Confident76 Ų7676.1 Ų76.136%0.35536%0.364SS..SBendtrans-68.4131.6170.4-167.8175.6162.900109.5H565 K568 F569 S602 V606H565-E604 IonicContact CD2-OE1 3.11Å; K568-E604 IonicContact NZ-OE1 2.64Å; K568-E604 PolarHBondContact NZ-OE1 2.83Å; K568-E604 IonicContact NZ-OE2 3.77Å; F569-E604 HydrophobicContact CZ-CB 4.35Å; S602-E604 PolarHBondContact O-N 3Å; E604-V606 PolarHBondContact O-N 3.1Å
605A73.8Confident80.7Confident23 Ų2373.9 Ų73.919%0.1935%0.354CS..PPolyproline II helixtrans-77.4125.3179.200000109.7L607 N608 R610A605-L607 PolarHBondContact O-N 3Å; A605-L607 VanDerWaalsContact O-N 3.09Å; A605-N608 WeakPolarHBondContact O-CA 3.3Å; A605-N608 PolarHBondContact O-N 3.41Å; A605-R610 HydrophobicContact CB-CG 3.77Å
606V73.6Confident80.7Confident10 Ų1075.2 Ų75.26%0.06136%0.358CS..G310 helixtrans-53.1118.6179.6-178.10000109.7F566 E604 N608 N609 I612 V614F566-V606 HydrophobicContact CE1-CG2 4.4Å; F566-V606 HydrophobicContact CE2-CG1 3.55Å; F566-V606 HydrophobicContact CE2-CG2 4.41Å; F566-V606 HydrophobicContact CZ-CB 4.38Å; F566-V606 HydrophobicContact CZ-CG1 3.69Å; F566-V606 HydrophobicContact CZ-CG2 3.7Å; E604-V606 PolarHBondContact O-N 3.1Å; V606-N608 PolarHBondContact O-N 3.35Å; V606-N609 PolarHBondContact O-N 2.77Å; V606-I612 HydrophobicContact CB-CB 4.08Å; V606-I612 HydrophobicContact CB-CD1 4.33Å; V606-I612 HydrophobicContact CB-CG2 3.93Å; V606-I612 HydrophobicContact CG1-CB 4.45Å; V606-I612 HydrophobicContact CG1-CD1 4.1Å; V606-I612 HydrophobicContact CG1-CG2 3.89Å; V606-I612 HydrophobicContact CG2-CG2 4.39Å; V606-V614 HydrophobicContact CG2-CG2 3.67Å
607L70Confident80.5Confident31 Ų3175.8 Ų75.816%0.16236%0.361CS..G310 helixtrans52.835.5-176.8-56.8176000113.7L556 K561 L562 H565 A605 N609 I612L556-L607 HydrophobicContact CB-CD1 3.93Å; L556-L607 HydrophobicContact CD1-CB 4.44Å; L556-L607 WeakPolarHBondContact O-CD1 3.3Å; K561-L607 HydrophobicContact CB-CD1 4.23Å; K561-L607 HydrophobicContact CB-CD2 3.92Å; K561-L607 HydrophobicContact CD-CD2 4.44Å; K561-L607 WeakPolarHBondContact O-CD2 3.46Å; L562-L607 HydrophobicContact CD2-CD1 3.98Å; H565-L607 HydrophobicContact CB-CD2 3.85Å; H565-L607 HydrophobicContact CB-CG 4.48Å; A605-L607 PolarHBondContact O-N 3Å; A605-L607 VanDerWaalsContact O-N 3.09Å; L607-N609 PolarHBondContact O-N 2.99Å; L607-N609 VanDerWaalsContact O-N 3.12Å; L607-I612 HydrophobicContact CB-CD1 4.43Å
608N76.9Confident80.3Confident146 Ų14681.7 Ų81.778%0.78138%0.381SS*.G310 helixtrans607.9-171.5-66-40.7000115.3A605 V606A605-N608 WeakPolarHBondContact O-CA 3.3Å; A605-N608 PolarHBondContact O-N 3.41Å; V606-N608 PolarHBondContact O-N 3.35Å
609N78.4Confident79Confident33 Ų3379 Ų7918%0.17638%0.377CS..  trans-106.5107.4-177.3-176.6-11000111.5P553 V606 L607 F611 I612P553-N609 WeakPolarHBondContact CG-ND2 3.24Å; V606-N609 PolarHBondContact O-N 2.77Å; L607-N609 PolarHBondContact O-N 2.99Å; L607-N609 VanDerWaalsContact O-N 3.12Å; N609-F611 PolarHBondContact O-N 3.15Å; N609-F611 WeakPolarHBondContact OD1-CB 3.44Å; N609-F611 WeakPolarHBondContact OD1-CD2 3.49Å; N609-F611 PolarHBondContact OD1-N 2.92Å; N609-I612 HydrophobicContact CB-CD1 3.9Å; N609-I612 HydrophobicContact CB-CG1 3.93Å; N609-I612 PolarHBondContact O-N 2.76Å
610R77.1Confident77.2Confident227 Ų22785.3 Ų85.386%0.85741%0.41SS*.THydrogen-bonded Turntrans-69-10.1-179.4-64.9-179.3-177.9176.31.3114.7A605A605-R610 HydrophobicContact CB-CG 3.77Å
611F77.4Confident75.2Confident157 Ų15791.9 Ų91.969%0.68944%0.442SS*.THydrogen-bonded Turntrans-86-19.5179.4-59.1-69.2000113.2N609 K613N609-F611 PolarHBondContact O-N 3.15Å; N609-F611 WeakPolarHBondContact OD1-CB 3.44Å; N609-F611 WeakPolarHBondContact OD1-CD2 3.49Å; N609-F611 PolarHBondContact OD1-N 2.92Å; F611-K613 PolarHBondContact O-N 2.63Å; F611-K613 PolarHBondContact O-NZ 3.15Å
612I84.3Confident73.4Confident13 Ų1388.4 Ų88.47%0.06744%0.441CS..  trans-65.8125.7173.7-56.9-173.8000109.2V549 I552 V606 L607 N609V549-I612 HydrophobicContact CG1-CG2 3.28Å; I552-I612 HydrophobicContact CB-CD1 4.4Å; I552-I612 HydrophobicContact CG1-CD1 4.4Å; I552-I612 HydrophobicContact CG1-CG2 3.91Å; I552-I612 HydrophobicContact CG2-CD1 4.13Å; V606-I612 HydrophobicContact CB-CB 4.08Å; V606-I612 HydrophobicContact CB-CD1 4.33Å; V606-I612 HydrophobicContact CB-CG2 3.93Å; V606-I612 HydrophobicContact CG1-CB 4.45Å; V606-I612 HydrophobicContact CG1-CD1 4.1Å; V606-I612 HydrophobicContact CG1-CG2 3.89Å; V606-I612 HydrophobicContact CG2-CG2 4.39Å; L607-I612 HydrophobicContact CB-CD1 4.43Å; N609-I612 HydrophobicContact CB-CD1 3.9Å; N609-I612 HydrophobicContact CB-CG1 3.93Å; N609-I612 PolarHBondContact O-N 2.76Å
613K82Confident71.3Confident94 Ų9493.5 Ų93.541%0.40947%0.465SS..EExtended strand (participates in β ladder)trans-111.9114.1-176.2-65.2-177.2-177.963.50111.5R550 F611 H615R550-K613 PolarHBondContact N-O 3.31Å; R550-K613 PolarHBondContact O-N 2.81Å; F611-K613 PolarHBondContact O-N 2.63Å; F611-K613 PolarHBondContact O-NZ 3.15Å; K613-H615 WeakPolarHBondContact CB-CE1 3.36Å; K613-H615 PolarHBondContact O-ND1 3.22Å
614V88.7Confident69.6Low30 Ų3089.4 Ų89.418%0.18245%0.453CS..EExtended strand (participates in β ladder)trans-84.2127.3170.5-169.50000109.3L547 V549 F566 M600 V606L547-V614 HydrophobicContact CB-CG1 4Å; L547-V614 HydrophobicContact CD1-CG1 3.82Å; L547-V614 HydrophobicContact CG-CG1 4.35Å; V549-V614 HydrophobicContact CG1-CG2 4.4Å; V549-V614 HydrophobicContact CG2-CG1 4.47Å; V549-V614 HydrophobicContact CG2-CG2 4.36Å; F566-V614 HydrophobicContact CE1-CG2 4.25Å; F566-V614 HydrophobicContact CZ-CG2 4Å; M600-V614 WeakPolarHBondContact CE-O 3.1Å; M600-V614 HydrophobicContact CG-CG1 3.82Å; M600-V614 HydrophobicContact SD-CG1 4.4Å; V606-V614 HydrophobicContact CG2-CG2 3.67Å
615H87.6Confident68Low87 Ų8792.7 Ų92.740%0.40348%0.481SS..EExtended strand (participates in β ladder)trans-123.3153.8175.8-5885.6000109.9L547 L548 K613 F617L547-H615 CarbonylContact C-O 3.52Å; L547-H615 WeakPolarHBondContact CA-O 3.16Å; L548-H615 PolarHBondContact N-O 3.48Å; L548-H615 PolarHBondContact O-N 3.08Å; K613-H615 WeakPolarHBondContact CB-CE1 3.36Å; K613-H615 PolarHBondContact O-ND1 3.22Å; H615-F617 PolarHBondContact O-N 2.77Å
616W89.9Confident66Low52 Ų5295 Ų9520%0.19751%0.507CS..EExtended strand (participates in β ladder)trans-61.3118.8162.8-75.2110.9000109.1F541 N544 L547 A596 K597 M600F541-W616 AromaticContact CD1-CD1 3.95Å; F541-W616 AromaticContact CD1-NE1 3.73Å; F541-W616 AromaticContact CE1-CD1 3.53Å; F541-W616 HydrophobicContact CE1-CG 4.47Å; F541-W616 AromaticContact CE1-NE1 3.45Å; N544-W616 HydrophobicContact CB-CE3 3.8Å; N544-W616 HydrophobicContact CB-CZ3 4.08Å; N544-W616 WeakPolarHBondContact O-CZ3 3.48Å; L547-W616 HydrophobicContact CD2-CD2 4.11Å; L547-W616 HydrophobicContact CD2-CE3 3.46Å; L547-W616 VanDerWaalsContact CD2-CE3 3.46Å; L547-W616 HydrophobicContact CD2-CH2 4Å; L547-W616 HydrophobicContact CD2-CZ3 3.39Å; A596-W616 HydrophobicContact CB-CH2 3.84Å; A596-W616 HydrophobicContact CB-CZ3 3.75Å; K597-W616 HydrophobicContact CB-CH2 4.45Å; K597-W616 HydrophobicContact CB-CZ2 4.49Å; K597-W616 HydrophobicContact CG-CH2 3.7Å; K597-W616 HydrophobicContact CG-CZ2 3.71Å; M600-W616 HydrophobicContact CB-CZ2 4.42Å; M600-W616 HydrophobicContact CG-CZ2 4.34Å; M600-W616 HydrophobicContact SD-CD2 3.63Å; M600-W616 HydrophobicContact SD-CE3 4.29Å; M600-W616 HydrophobicContact SD-CG 3.74Å; M600-W616 HydrophobicContact SD-CZ2 3.93Å; M600-W616 PolarHBondContact SD-NE1 2.83Å; M600-W616 VanDerWaalsContact SD-NE1 3.45Å
617F83.4Confident64Low12 Ų12104.3 Ų104.35%0.05355%0.55CS..  trans-68.3141170179-105000109.1N544 K546 L548 Y579 L587 H615 D619N544-F617 PolarHBondContact ND2-O 2.82Å; K546-F617 HydrophobicContact CB-CB 3.81Å; K546-F617 HydrophobicContact CB-CD1 3.71Å; K546-F617 HydrophobicContact CB-CG 4.17Å; K546-F617 HydrophobicContact CD-CD1 3.45Å; K546-F617 VanDerWaalsContact CD-CD1 3.45Å; K546-F617 HydrophobicContact CD-CE1 3.71Å; K546-F617 HydrophobicContact CG-CD1 4.25Å; K546-F617 WeakPolarHBondContact O-CB 3.42Å; K546-F617 PolarHBondContact O-N 2.66Å; K546-F617 VanDerWaalsContact O-N 3.14Å; L548-F617 HydrophobicContact CB-CB 4.09Å; L548-F617 HydrophobicContact CB-CD2 4.13Å; Y579-F617 HydrophobicContact CE1-CD2 4.43Å; Y579-F617 AromaticContact CE1-CE2 3.67Å; Y579-F617 HydrophobicContact CE1-CE2 3.67Å; Y579-F617 HydrophobicContact CE1-CZ 4.41Å; Y579-F617 AromaticContact CZ-CE2 3.74Å; Y579-F617 WeakPolarHBondContact OH-CE2 3.48Å; Y579-F617 WeakPolarHBondContact OH-CZ 3.48Å; L587-F617 HydrophobicContact CD1-CB 3.74Å; L587-F617 HydrophobicContact CD1-CD1 3.87Å; L587-F617 HydrophobicContact CD1-CD2 3.68Å; L587-F617 HydrophobicContact CD1-CE1 4.35Å; L587-F617 HydrophobicContact CD1-CE2 4.23Å; L587-F617 HydrophobicContact CD1-CG 3.47Å; L587-F617 VanDerWaalsContact CD1-CG 3.47Å; L587-F617 HydrophobicContact CD2-CE1 4.33Å; L587-F617 HydrophobicContact CD2-CE2 4.41Å; L587-F617 HydrophobicContact CD2-CZ 4.23Å; H615-F617 PolarHBondContact O-N 2.77Å; F617-D619 HydrophobicContact CE1-CB 4.32Å; F617-D619 VanDerWaalsContact CE1-CG 3.49Å; F617-D619 WeakPolarHBondContact CE1-OD1 3.28Å
618R81.3Confident61.9Low185 Ų185108.2 Ų108.270%0.69858%0.58SS**  trans-119.8124.4172.1-62.5-178.7179.8-168.8-2.5106.3D620R618-D620 PolarHBondContact O-N 3.34Å
619D61.7Low59.8Low80 Ų80110.4 Ų110.443%0.42858%0.577SS.*  trans-69.996.8165.7-73.3-83.2000107.2K546 F617 M621 A622K546-D619 IonicContact NZ-OD1 3.84Å; K546-D619 PolarHBondContact NZ-OD1 2.65Å; K546-D619 IonicContact NZ-OD2 3.93Å; K546-D619 PolarHBondContact NZ-OD2 2.9Å; F617-D619 HydrophobicContact CE1-CB 4.32Å; F617-D619 VanDerWaalsContact CE1-CG 3.49Å; F617-D619 WeakPolarHBondContact CE1-OD1 3.28Å; D619-M621 PolarHBondContact O-N 2.85Å; D619-A622 PolarHBondContact O-N 3.24Å
620D49.3Very low57.8Low134 Ų134114.9 Ų114.972%0.71761%0.608SS**THydrogen-bonded Turntrans-68.424.1179.1-74.1-40.3000113.5R618R618-D620 PolarHBondContact O-N 3.34Å
621M41.9Very low55.6Low198 Ų198111 Ų11198%0.97560%0.599SS**THydrogen-bonded Turntrans-102.3-5161-77.3-161.6161.700113.3D619D619-M621 PolarHBondContact O-N 2.85Å
622A44.3Very low53.3Low83 Ų83111.6 Ų111.669%0.68660%0.604SS**SBendtrans-95.4-24.6179.600000114.6D619D619-A622 PolarHBondContact O-N 3.24Å
623D37.7Very low50.6Low140 Ų140118.5 Ų118.575%0.74964%0.64SS**SBendtrans-133.9135.3-177.2-93.8-52.9000111.7
624G29.7Very low48Very low67 Ų67121.2 Ų121.269%0.69165%0.654SS**  trans-80.3154.3-179.600000114.1
625P40Very low45.8Very low145 Ų145125.6 Ų125.694%0.94268%0.683SS**  trans-70.3133.7-17027.2-35.6000113.8
626G30.3Very low42.9Very low70 Ų70128.3 Ų128.372%0.72270%0.696SS**  trans-160.4118.1179.300000116.7
627Q31.3Very low40.6Very low207 Ų207131.3 Ų131.397%0.96772%0.722SS**  trans72.5155.4163.8-58.9-169.4-0.700119.7
628S27Very low37.8Very low113 Ų113137.9 Ų137.979%0.7975%0.753SS**  trans-153.6138.6-172.653.90000114.2
629R33.6Very low35.1Very low192 Ų192135.2 Ų135.273%0.72575%0.752SS**  trans65.7151.8160.8-101.4165.172.4171.50.2118.3
630P36.2Very low33.4Very low126 Ų126135.8 Ų135.882%0.81876%0.762SS**  -125.2-164.366.134.6-18.3000115.8
631Q29.6Very low32.2Very low145 Ų145137.2 Ų137.268%0.67877%0.767SS**  trans-110.1175.7-165.6-60.1153-109.300112.8
632Q29.8Very low31.3Very low171 Ų171132.6 Ų132.680%0.79975%0.754SS**  174.7120.4104.6-170.9160.7-800116.8
633L26.6Very low30.3Very low157 Ų157133.6 Ų133.682%0.82276%0.756SS**  trans76.5174.5151.9-74.1171.5000123.8
634H28.3Very low29.9Very low151 Ų151131 Ų13170%0.69975%0.754SS**  trans-122173.2-148.7-12453.6000111.1
635P42.1Very low29.9Very low122 Ų122133.6 Ų133.679%0.79276%0.757SS**  -146-179.151.740.2-18.2000119.4
636Q27.9Very low29.4Very low144 Ų144132.1 Ų132.167%0.67375%0.745SS**  trans-64172.3172.6-80.9-84.7-19.300113.7
637P40.5Very low29.6Very low115 Ų115135.2 Ų135.275%0.74774%0.744SS**  cis-153170.536.246.2-25.2000122.8
638H24.8Very low29.8Very low150 Ų150133.5 Ų133.569%0.69473%0.734SS**  trans97.4135.8134.3-135.9-148.6000122.7
639L24.5Very low30Very low129 Ų129136.8 Ų136.868%0.67574%0.736SS**  trans64134.2163.3-60.4180000118.9
640S25.8Very low30Very low93 Ų93132.6 Ų132.665%0.6574%0.737SS**  cis83.4142.446.5101.10000113.4
641M24.4Very low29.6Very low164 Ų164133 Ų13381%0.80874%0.737SS**  cis-162.5164.8-1.8-127.6-67.7156.500110.2
642S23.4Very low29.7Very low100 Ų100135.5 Ų135.570%0.69975%0.745SS**  trans37.4114.2155.661.30000120.4
643S22.4Very low29.7Very low104 Ų104132.7 Ų132.773%0.72774%0.736SS**  trans-86154.9145.458.10000110.2
644A29.8Very low30.1Very low86 Ų86135.1 Ų135.171%0.71173%0.734SS**  trans-145.6140.4176.400000112.3
645T29.6Very low30.3Very low122 Ų122136.3 Ų136.375%0.74874%0.744SS**  trans63.7107.3152.151.10000121
646T30.4Very low29.7Very low114 Ų114134 Ų13470%0.69974%0.743SS**  94.4108.4116.957.20000124
647L33.9Very low30.4Very low134 Ų134133.5 Ų133.570%0.70275%0.753SS**  75.2109.7115.4-60.8173.8000122.7
648K36.3Very low30.1Very low172 Ų172135.9 Ų135.975%0.74876%0.758SS**  99.9152.9110.7-90.2179.5176.1169.90122.4
649Q31Very low30.3Very low181 Ų181136.5 Ų136.585%0.84676%0.763SS**  trans73.1148.3160.7-74.7170.1-0.200116.8
650S32.7Very low31.2Very low105 Ų105135.3 Ų135.373%0.73476%0.763SS**  cis-171.6163.1-20.2-170.10000108.6
651V27.3Very low31.8Very low135 Ų135136.9 Ų136.982%0.81877%0.771SS**  trans-177.8151.2131.7142.40000110.5
652K32.5Very low31.8Very low196 Ų196136.8 Ų136.885%0.85277%0.774SS**  trans-134.697.4-178.9172.9-172170.7178.80109.6
653D30Very low32.1Very low113 Ų113137 Ų13760%0.60478%0.776SS**  trans174.8142.8166.1-94.1-26.6000105.7
654R34Very low32.2Very low207 Ų207140.6 Ų140.678%0.78178%0.781SS**  cis-157.1151.6-1.7-124.6163.6-129-166.212.2110.6
655L33.5Very low32.7Very low176 Ų176141.4 Ų141.492%0.92178%0.779SS**  trans-100152.1150.8-69.1171.6000108
656G28.9Very low32.4Very low75 Ų75141 Ų14177%0.77378%0.777SS**  trans-110.5160.3-171.100000115.4
657P43Very low32.3Very low133 Ų133143.8 Ų143.886%0.86478%0.782SS**  trans-114.8-178.2164.330.8-13.7000113.5
658L33.7Very low31.8Very low165 Ų165143.8 Ų143.886%0.86478%0.782SS**  trans-97.1148.4-161-61166.4000115.8
659M29.6Very low31.4Very low162 Ų162140 Ų14080%0.79878%0.777SS**  trans38.2157.1138.6-59.5-95.976.500122.2
660P43.1Very low31.3Very low105 Ų105136.6 Ų136.668%0.68277%0.774SS**  cis-126.1-179.6-33.140.3-25.2000111.5
661P39.2Very low30.9Very low125 Ų125138.2 Ų138.281%0.81278%0.779SS**  trans-94.3147.2-176.835.4-34000115.2
662N24.5Very low31Very low163 Ų163136 Ų13687%0.87278%0.775SS**  trans-150.3172.6147.9-152.30.4000110.4
663S29.7Very low30.9Very low105 Ų105131.2 Ų131.273%0.73477%0.766SS**  trans-75.3157.4-156.459.30000119.1
664E24.3Very low31.1Very low178 Ų178133.5 Ų133.583%0.83277%0.773SS**  trans-40.4173.8158.3-82.4-172.7100.300117.7
665P40Very low30.9Very low103 Ų103131 Ų13167%0.66978%0.775SS**  cis-135.5-167.94.323.32.6000116.3
666T23.6Very low31.1Very low115 Ų115126.6 Ų126.671%0.70676%0.764SS**  trans89.298.9145.7170000121.9
667Q27.4Very low31.7Very low172 Ų172127.8 Ų127.880%0.80476%0.761SS**  51.2141.6125.9-71.6-178.9-30.100124.5
668D23.3Very low31.5Very low133 Ų133130.5 Ų130.571%0.71176%0.759SS**  trans76102.8149.1-82.6-52.3000123.3
669S29.1Very low31.5Very low93 Ų93129.1 Ų129.165%0.6576%0.757SS**  62104.2107.9-57.90000121.3
670S27Very low31.5Very low110 Ų110126.6 Ų126.677%0.76976%0.755SS**  109.5162.2105.576.80000121.3
671V24.8Very low31.1Very low138 Ų138127.7 Ų127.784%0.83676%0.76SS**  trans76.8136.3167.6-172.90000118.4
672A29.5Very low30.7Very low90 Ų90131 Ų13174%0.74476%0.761SS**  trans-123.5170.5176.400000110.8
673S30.9Very low31Very low94 Ų94128.8 Ų128.866%0.65775%0.749SS**  trans-164.2136.5163.1-99.40000117.1
674Q34Very low31.1Very low161 Ų161133.5 Ų133.575%0.75275%0.751SS**  trans73.4128.2140.4-63.2165.361.900117.8
675N30.7Very low31.6Very low155 Ų155132.8 Ų132.883%0.82975%0.752SS**  75.9139.851.2-65.3-19.3000113.1
676A36.6Very low31.2Very low83 Ų83131.1 Ų131.169%0.68675%0.754SS**  cis-165.8169-14.700000108.6
677S41.4Very low31.7Very low101 Ų101135.9 Ų135.971%0.70677%0.765SS**  152.8175.285570000112.9
678K38.6Very low32Very low190 Ų190132.5 Ų132.583%0.82676%0.761SS**  trans82137.3170.9-60.2178.5-177.3175.80115.7
679V34.5Very low33.4Very low135 Ų135131.4 Ų131.482%0.81876%0.761SS**  cis-158.4166.45.2-111.40000108.8
680S29.5Very low33.3Very low109 Ų109136.2 Ų136.276%0.76277%0.77SS**  cis-158.4174.7-7.9-165.70000109.4
681V34.9Very low34.1Very low129 Ų129136.3 Ų136.378%0.78277%0.768SS**  trans-147.7147.7-176175.90000113.1
682K29.5Very low34.1Very low194 Ų194134.5 Ų134.584%0.84377%0.768SS**  trans-166.4130.2151.6-116.2167.1-179.9174.70110.2
683D31.9Very low34Very low116 Ų116134.6 Ų134.662%0.6277%0.769SS**  cis91.1104.924.6-175.735.6000115.5
684R31.2Very low34.5Very low205 Ų205135.5 Ų135.577%0.77477%0.772SS**  165.7133.2124-91.8176.9-179.3-151.4-8.3118.5
685L34.3Very low34.2Very low162 Ų162133.1 Ų133.185%0.84877%0.768SS**  trans75.1121.1142.4-61.6166.5000124.3
686G32.9Very low34Very low69 Ų69133.5 Ų133.571%0.71177%0.765SS**  trans81.9148.2152.300000117.9
687F32.8Very low33.6Very low214 Ų214137.4 Ų137.494%0.93977%0.767SS**  cis-150.4172.6-7.7-109.7-84.7000109.9
688S35.2Very low33.1Very low102 Ų102138.7 Ų138.771%0.71377%0.77SS**  trans-98.2-170.7-174.862.60000113.8
689P51.2Low32.4Very low109 Ų109135.3 Ų135.371%0.70877%0.77SS**  cis-146175.53.546.4-27.2000119
690K28.4Very low32.5Very low194 Ų194133.7 Ų133.784%0.84377%0.765SS**  28.9149.7127.7-166.2167-179.1178.80120.5
691P43.5Very low32.4Very low112 Ų112134.4 Ų134.473%0.72777%0.765SS**  cis-137.7-177.317.219.87.9000119
692A23.6Very low32.5Very low101 Ų101133 Ų13384%0.83576%0.761SS**  trans95.7148.8143.800000121
693A27.6Very low32.7Very low92 Ų92131.9 Ų131.976%0.7676%0.761SS**  trans-116.9-164.1177.100000107.8
694P42.3Very low33.1Very low112 Ų112130.2 Ų130.273%0.72777%0.771SS**  cis-143.9-161.410.830.3-2.2000115.7
695V27.3Very low33.2Very low111 Ų111127.5 Ų127.567%0.67377%0.77SS**  trans81.3119.2160.8-166.30000115.1
696E25.9Very low33.7Very low163 Ų163125.4 Ų125.476%0.76276%0.764SS**  67.4148.369.9-118.5-178.7-135.800112.4
697K28.1Very low34.2Very low166 Ų166131.4 Ų131.472%0.72277%0.771SS**  cis-146.5158.630.1-68.7-173.8166.3175.20115.4
698V32.2Very low34.9Very low127 Ų127128 Ų12877%0.7777%0.768SS**  trans-70.4146.2154.1173.90000110.1
699S23.4Very low35.5Very low120 Ų120130 Ų13084%0.83978%0.775SS**  trans-148.1129.5151-94.30000111
700S35.8Very low35Very low101 Ų101132.1 Ų132.171%0.70677%0.77SS**  trans-91.9-160.4170.8-610000110.5
701T27.9Very low36.3Very low123 Ų123128.1 Ų128.176%0.75576%0.758SS**  trans85.681.9153.4-46.90000117
702S37.6Very low37.1Very low101 Ų101126.4 Ų126.471%0.70675%0.747SS**  43.3162.5121.563.30000123.4
703M34Very low38.9Very low169 Ų169124.6 Ų124.683%0.83373%0.732SS**  trans97.953.8160.1-53-176.769.500120.3
704G40.4Very low40.4Very low81 Ų81123.5 Ų123.584%0.83572%0.723SS**  trans66.7-150.7133.700000120.6
705I33.5Very low41.1Very low148 Ų148121.8 Ų121.876%0.75970%0.702SS**  trans76.581.5174.2-48.5179.4000118.2
706T43.6Very low42.6Very low118 Ų118123.8 Ų123.872%0.72470%0.701SS**  trans58.7156.413576.40000124.2
707K43.4Very low44.3Very low196 Ų196118.9 Ų118.985%0.85269%0.689SS**  trans72.9107.2158.9-75.4178.8177.4173.80118.5
708T48Very low45.7Very low142 Ų142113.8 Ų113.887%0.87168%0.677SS**  trans-59.8130.6167.151.20000113.4
709V46.9Very low47.1Very low143 Ų143110.3 Ų110.387%0.86765%0.653SS**  trans-99.6118.3159.4177.60000108.5N711V709-N711 PolarHBondContact O-N 3.43Å
710Y42.1Very low49Very low155 Ų155113.2 Ų113.261%0.60865%0.645SS**  trans-81.6110.8-176.3-176.5-100.1000111P712 R715Y710-P712 HydrophobicContact CE1-CB 4.21Å; Y710-P712 VanDerWaalsContact O-CD 3.32Å; Y710-P712 WeakPolarHBondContact O-CD 2.97Å; Y710-R715 WeakPolarHBondContact OH-CD 3.46Å; Y710-R715 PolarHBondContact OH-NH1 2.96Å
711N55.7Low50.2Low109 Ų109113 Ų11358%0.58364%0.64SS**  trans-95.1106.1176.2-171.5-18.6000111.1V709 A713V709-N711 PolarHBondContact O-N 3.43Å; N711-A713 VanDerWaalsContact C-N 3.26Å; N711-A713 PolarHBondContact O-N 2.86Å; N711-A713 WeakPolarHBondContact OD1-CB 3.17Å; N711-A713 PolarHBondContact OD1-N 3.17Å
712P59.9Low52.1Low77 Ų77109 Ų10950%0.562%0.617SS.*Hα-helixtrans-73.9-10.1-173.930.8-36.6000114.5Y710Y710-P712 HydrophobicContact CE1-CB 4.21Å; Y710-P712 VanDerWaalsContact O-CD 3.32Å; Y710-P712 WeakPolarHBondContact O-CD 2.97Å
713A62.3Low53.8Low63 Ų63105.4 Ų105.452%0.52159%0.589SS.*Hα-helixtrans-67.2-42.1-17900000112.4N711 R715 K716 A717N711-A713 VanDerWaalsContact C-N 3.26Å; N711-A713 PolarHBondContact O-N 2.86Å; N711-A713 WeakPolarHBondContact OD1-CB 3.17Å; N711-A713 PolarHBondContact OD1-N 3.17Å; A713-R715 PolarHBondContact O-N 3.02Å; A713-K716 PolarHBondContact O-N 2.98Å; A713-A717 PolarHBondContact O-N 2.98Å
714A58.2Low56Low68 Ų68101.9 Ų101.956%0.56257%0.571SS**Hα-helixtrans-62.5-42-174.200000113.1K716 A717 A718A714-K716 VanDerWaalsContact C-N 3.33Å; A714-K716 PolarHBondContact O-N 3.44Å; A714-A717 WeakPolarHBondContact O-CB 3.32Å; A714-A717 PolarHBondContact O-N 3.2Å; A714-A718 PolarHBondContact O-N 3.05Å; A714-A718 VanDerWaalsContact O-N 3.17Å
715R57.2Low57.7Low76 Ų76100.9 Ų100.929%0.28755%0.554SS.*Hα-helixtrans-66.7-33.8178.7-63.5-177.480173.68112.5D147 Y710 A713 A717 A718 Q719D147-R715 IonicContact OD1-NH2 2.62Å; D147-R715 PolarHBondContact OD1-NH2 3.42Å; D147-R715 IonicContact OD2-CZ 2.64Å; D147-R715 IonicContact OD2-NH2 3.66Å; D147-R715 PolarHBondContact OD2-NH2 2.84Å; Y710-R715 WeakPolarHBondContact OH-CD 3.46Å; Y710-R715 PolarHBondContact OH-NH1 2.96Å; A713-R715 PolarHBondContact O-N 3.02Å; R715-A717 VanDerWaalsContact C-N 3.31Å; R715-A717 PolarHBondContact O-N 3.29Å; R715-A718 PolarHBondContact O-N 3.46Å; R715-Q719 PolarHBondContact O-N 3.35Å; R715-Q719 VanDerWaalsContact O-N 3.1Å
716K58.9Low59.8Low153 Ų15399 Ų9967%0.66555%0.545SS*.Hα-helixtrans-71.2-22.6174.7-73.8-172.5174.7-176.70113.4A713 A714 R720A713-K716 PolarHBondContact O-N 2.98Å; A714-K716 VanDerWaalsContact C-N 3.33Å; A714-K716 PolarHBondContact O-N 3.44Å; K716-R720 WeakPolarHBondContact O-CG 3.13Å
717A60.4Low61.8Low60 Ų6097 Ų9750%0.49653%0.527SS..Hα-helixtrans-73.5-49.8169.400000111A713 A714 R715 Q719 R720 T721A713-A717 PolarHBondContact O-N 2.98Å; A714-A717 WeakPolarHBondContact O-CB 3.32Å; A714-A717 PolarHBondContact O-N 3.2Å; R715-A717 VanDerWaalsContact C-N 3.31Å; R715-A717 PolarHBondContact O-N 3.29Å; A717-Q719 PolarHBondContact O-N 3.34Å; A717-R720 WeakPolarHBondContact O-CB 3.38Å; A717-R720 PolarHBondContact O-N 3.03Å; A717-T721 PolarHBondContact O-N 2.92Å
718A58Low63.8Low59 Ų5993.4 Ų93.449%0.48851%0.511SS..Hα-helixtrans-60.7-39.4-179.100000113.9A714 R715 R720 T721 S722A714-A718 PolarHBondContact O-N 3.05Å; A714-A718 VanDerWaalsContact O-N 3.17Å; R715-A718 PolarHBondContact O-N 3.46Å; A718-R720 VanDerWaalsContact C-N 3.27Å; A718-R720 PolarHBondContact O-N 2.87Å; A718-T721 PolarHBondContact O-N 3.44Å; A718-T721 PolarHBondContact O-OG1 2.89Å; A718-S722 PolarHBondContact O-N 3.45Å
719Q62Low65.4Low54 Ų5493.5 Ų93.525%0.25250%0.499SS..Hα-helixtrans-69.6-19.9174.5-76.7-171.9-29.700113.9D145 R715 A717 S722D145-Q719 HydrophobicContact CB-CG 4.3Å; D145-Q719 PolarHBondContact O-NE2 2.66Å; D145-Q719 VanDerWaalsContact O-NE2 3.15Å; R715-Q719 PolarHBondContact O-N 3.35Å; R715-Q719 VanDerWaalsContact O-N 3.1Å; A717-Q719 PolarHBondContact O-N 3.34Å; Q719-S722 PolarHBondContact O-OG 3.22Å; Q719-S722 VanDerWaalsContact O-OG 3.12Å
720R62.4Low67Low181 Ų18191.3 Ų91.368%0.68348%0.48SS*.Hα-helixtrans-79-35.8175-77.9177169.4-164.7-4.4111.4K716 A717 A718 E724K716-R720 WeakPolarHBondContact O-CG 3.13Å; A717-R720 WeakPolarHBondContact O-CB 3.38Å; A717-R720 PolarHBondContact O-N 3.03Å; A718-R720 VanDerWaalsContact C-N 3.27Å; A718-R720 PolarHBondContact O-N 2.87Å; R720-E724 PolarHBondContact O-N 3.38Å
721T61Low69.2Low96 Ų9688.1 Ų88.159%0.58947%0.47SS*.Hα-helixtrans-72.6-33.2177.848.70000112.9A717 A718 E724 A725A717-T721 PolarHBondContact O-N 2.92Å; A718-T721 PolarHBondContact O-N 3.44Å; A718-T721 PolarHBondContact O-OG1 2.89Å; T721-E724 PolarHBondContact O-N 3.17Å; T721-A725 PolarHBondContact O-N 2.72Å; T721-A725 VanDerWaalsContact O-N 3.08Å
722S68Low70.5Confident41 Ų4185.7 Ų85.729%0.28747%0.465SS..Hα-helixtrans-63.5-49173.3610000112.3D145 A718 Q719 E724 A725 L726D145-S722 PolarHBondContact OD1-OG 3.01Å; A718-S722 PolarHBondContact O-N 3.45Å; Q719-S722 PolarHBondContact O-OG 3.22Å; Q719-S722 VanDerWaalsContact O-OG 3.12Å; S722-E724 VanDerWaalsContact C-N 3.31Å; S722-E724 PolarHBondContact O-N 3.28Å; S722-A725 PolarHBondContact O-N 2.78Å; S722-L726 PolarHBondContact O-N 2.64Å
723E73.3Confident71.7Confident25 Ų2586.5 Ų86.512%0.11747%0.465CS..Hα-helixtrans-60.3-38.4176.5-76.1-168.5115.200113.1R144 L726 K727R144-E723 IonicContact CZ-OE1 3.54Å; R144-E723 IonicContact CZ-OE2 3.03Å; R144-E723 IonicContact NE-OE1 3.7Å; R144-E723 VanDerWaalsContact NH1-CD 3.29Å; R144-E723 IonicContact NH1-OE1 3.07Å; R144-E723 IonicContact NH1-OE2 2.9Å; R144-E723 PolarHBondContact NH1-OE2 3.34Å; R144-E723 IonicContact NH2-OE1 3.73Å; R144-E723 PolarHBondContact NH2-OE1 2.85Å; R144-E723 IonicContact NH2-OE2 2.91Å; R144-E723 PolarHBondContact NH2-OE2 3.33Å; E723-L726 PolarHBondContact O-N 2.88Å; E723-K727 VanDerWaalsContact O-CG 3.3Å; E723-K727 WeakPolarHBondContact O-CG 3.4Å; E723-K727 PolarHBondContact O-N 3.31Å
724E79.8Confident72.9Confident95 Ų9586.5 Ų86.544%0.44445%0.451SS..Hα-helixtrans-69.4-38179.4-160.5-176.2130.200111.6R720 T721 S722 K727 K728R720-E724 PolarHBondContact O-N 3.38Å; T721-E724 PolarHBondContact O-N 3.17Å; S722-E724 VanDerWaalsContact C-N 3.31Å; S722-E724 PolarHBondContact O-N 3.28Å; E724-K727 PolarHBondContact O-N 2.83Å; E724-K728 HydrophobicContact CG-CD 4.48Å; E724-K728 WeakPolarHBondContact O-CB 3.42Å; E724-K728 WeakPolarHBondContact O-CG 3.45Å; E724-K728 PolarHBondContact O-N 3.45Å; E724-K728 WeakPolarHBondContact OE1-CE 3.43Å; E724-K728 IonicContact OE1-NZ 2.77Å; E724-K728 PolarHBondContact OE1-NZ 2.85Å
725A76.8Confident74.4Confident59 Ų5988.8 Ų88.849%0.48845%0.453SS..Hα-helixtrans-62.4-4217200000112T721 S722 K728 K729T721-A725 PolarHBondContact O-N 2.72Å; T721-A725 VanDerWaalsContact O-N 3.08Å; S722-A725 PolarHBondContact O-N 2.78Å; A725-K728 PolarHBondContact O-N 3.09Å; A725-K729 WeakPolarHBondContact O-CB 3.43Å; A725-K729 PolarHBondContact O-N 3.05Å
726L78.7Confident75.8Confident109 Ų10990 Ų9057%0.57146%0.462SS*.Hα-helixtrans-66-38.7175.4-69175.7000112.5S722 E723 K729 Q730S722-L726 PolarHBondContact O-N 2.64Å; E723-L726 PolarHBondContact O-N 2.88Å; L726-K729 PolarHBondContact O-N 2.96Å; L726-Q730 PolarHBondContact O-N 2.9Å
727K84.5Confident77.2Confident77 Ų7787.2 Ų87.234%0.33545%0.452SS..Hα-helixtrans-60.3-52.2172.3-75.7165.8-177.6172.10111.2E723 E724 K729 Q730 E731E723-K727 VanDerWaalsContact O-CG 3.3Å; E723-K727 WeakPolarHBondContact O-CG 3.4Å; E723-K727 PolarHBondContact O-N 3.31Å; E724-K727 PolarHBondContact O-N 2.83Å; K727-K729 VanDerWaalsContact C-N 3.32Å; K727-K729 PolarHBondContact O-N 3.48Å; K727-Q730 PolarHBondContact O-N 2.87Å; K727-Q730 VanDerWaalsContact O-N 3.14Å; K727-E731 WeakPolarHBondContact O-CB 3.36Å; K727-E731 PolarHBondContact O-N 3.09Å
728K86.6Confident78.4Confident120 Ų12086.5 Ų86.552%0.52244%0.44SS..Hα-helixtrans-58.9-39.3177.3-73.3172.9-179.1171.50112.3E724 A725 E731 A732E724-K728 HydrophobicContact CG-CD 4.48Å; E724-K728 WeakPolarHBondContact O-CB 3.42Å; E724-K728 WeakPolarHBondContact O-CG 3.45Å; E724-K728 PolarHBondContact O-N 3.45Å; E724-K728 WeakPolarHBondContact OE1-CE 3.43Å; E724-K728 IonicContact OE1-NZ 2.77Å; E724-K728 PolarHBondContact OE1-NZ 2.85Å; A725-K728 PolarHBondContact O-N 3.09Å; K728-E731 PolarHBondContact O-N 2.79Å; K728-A732 WeakPolarHBondContact O-CB 3.32Å; K728-A732 PolarHBondContact O-N 3.04Å
729K81.2Confident79.9Confident143 Ų14387.3 Ų87.362%0.62244%0.438SS*.Hα-helixtrans-64.8-41.3175.2-169.3170.8-176.2173.20112.5A725 L726 K727 L733A725-K729 WeakPolarHBondContact O-CB 3.43Å; A725-K729 PolarHBondContact O-N 3.05Å; L726-K729 PolarHBondContact O-N 2.96Å; K727-K729 VanDerWaalsContact C-N 3.32Å; K727-K729 PolarHBondContact O-N 3.48Å; K729-L733 WeakPolarHBondContact O-CG 3.44Å; K729-L733 PolarHBondContact O-N 2.97Å; K729-L733 VanDerWaalsContact O-N 3.12Å
730Q80.6Confident81Confident98 Ų9888.2 Ų88.246%0.45844%0.439SS..Hα-helixtrans-69.7-36.1176.2-167.7173.76.600112.2L726 K727 R734L726-Q730 PolarHBondContact O-N 2.9Å; K727-Q730 PolarHBondContact O-N 2.87Å; K727-Q730 VanDerWaalsContact O-N 3.14Å; Q730-R734 WeakPolarHBondContact O-CB 3.44Å; Q730-R734 PolarHBondContact O-N 2.83Å
731E87.6Confident82.4Confident88 Ų8881 Ų8141%0.41141%0.413SS..Hα-helixtrans-71.5-35.9175.5-76.6156.6-156.800112.2K727 K728 R734 L735K727-E731 WeakPolarHBondContact O-CB 3.36Å; K727-E731 PolarHBondContact O-N 3.09Å; K728-E731 PolarHBondContact O-N 2.79Å; E731-R734 WeakPolarHBondContact O-CB 3.26Å; E731-R734 PolarHBondContact O-N 2.79Å; E731-L735 WeakPolarHBondContact O-CB 3.39Å; E731-L735 WeakPolarHBondContact O-CG 3.43Å; E731-L735 PolarHBondContact O-N 3.15Å
732A82.3Confident83.8Confident57 Ų5782.8 Ų82.847%0.47141%0.413SS..Hα-helixtrans-63.2-43.9171.300000112.4K728 R734 L735 Q736K728-A732 WeakPolarHBondContact O-CB 3.32Å; K728-A732 PolarHBondContact O-N 3.04Å; A732-R734 VanDerWaalsContact C-N 3.31Å; A732-R734 PolarHBondContact O-N 3.04Å; A732-L735 PolarHBondContact O-N 3.4Å; A732-Q736 WeakPolarHBondContact O-CB 3.47Å; A732-Q736 PolarHBondContact O-N 2.76Å
733L86.1Confident84.7Confident94 Ų9483.3 Ų83.349%0.49241%0.41SS..Hα-helixtrans-62.7-38.2173.8-73170000112K729 Q736 Q737K729-L733 WeakPolarHBondContact O-CG 3.44Å; K729-L733 PolarHBondContact O-N 2.97Å; K729-L733 VanDerWaalsContact O-N 3.12Å; L733-Q736 PolarHBondContact O-N 3.2Å; L733-Q737 WeakPolarHBondContact O-CG 3.45Å; L733-Q737 PolarHBondContact O-N 2.79Å
734R87.4Confident85.5Confident64 Ų6483.4 Ų83.424%0.24241%0.41CS..Hα-helixtrans-65.7-42.1174.7-171.9-177.2-170.7125.113.4112.3R137 D138 Q730 E731 A732 Q737 D738R137-R734 VanDerWaalsContact NH1-NH2 3.16Å; D138-R734 IonicContact OD1-CZ 2.72Å; D138-R734 IonicContact OD1-NH1 2.77Å; D138-R734 PolarHBondContact OD1-NH1 2.84Å; D138-R734 IonicContact OD1-NH2 3.68Å; D138-R734 PolarHBondContact OD1-NH2 2.8Å; D138-R734 IonicContact OD2-CZ 2.77Å; D138-R734 IonicContact OD2-NH1 3.15Å; D138-R734 IonicContact OD2-NH2 3.74Å; D138-R734 PolarHBondContact OD2-NH2 2.95Å; Q730-R734 WeakPolarHBondContact O-CB 3.44Å; Q730-R734 PolarHBondContact O-N 2.83Å; E731-R734 WeakPolarHBondContact O-CB 3.26Å; E731-R734 PolarHBondContact O-N 2.79Å; A732-R734 VanDerWaalsContact C-N 3.31Å; A732-R734 PolarHBondContact O-N 3.04Å; R734-Q737 WeakPolarHBondContact O-CB 3.38Å; R734-Q737 PolarHBondContact O-N 3.46Å; R734-D738 PolarHBondContact O-N 3.48Å
735L89.6Confident86.1Confident115 Ų11582.6 Ų82.660%0.60241%0.406SS*.Hα-helixtrans-66.2-40.3174.7-75.1166.7000111.7E731 A732 Q737 D738 V739E731-L735 WeakPolarHBondContact O-CB 3.39Å; E731-L735 WeakPolarHBondContact O-CG 3.43Å; E731-L735 PolarHBondContact O-N 3.15Å; A732-L735 PolarHBondContact O-N 3.4Å; L735-Q737 VanDerWaalsContact C-N 3.27Å; L735-Q737 PolarHBondContact O-N 2.89Å; L735-D738 CarbonylContact O-C 3.54Å; L735-D738 PolarHBondContact O-N 2.76Å; L735-V739 WeakPolarHBondContact O-CB 3.24Å; L735-V739 VanDerWaalsContact O-CG2 3.32Å; L735-V739 WeakPolarHBondContact O-CG2 3.43Å; L735-V739 PolarHBondContact O-N 3.06Å
736Q86.9Confident86.9Confident102 Ų10283.6 Ų83.648%0.47740%0.403SS..Hα-helixtrans-61.2-37.8173.4-167.3-171.254.200111.5A732 L733 R740A732-Q736 WeakPolarHBondContact O-CB 3.47Å; A732-Q736 PolarHBondContact O-N 2.76Å; L733-Q736 PolarHBondContact O-N 3.2Å; Q736-R740 WeakPolarHBondContact O-CG 3.48Å; Q736-R740 PolarHBondContact O-N 2.63Å; Q736-R740 VanDerWaalsContact O-N 3.08Å
737Q87.7Confident87.7Confident94 Ų9478.4 Ų78.444%0.43938%0.376SS..Hα-helixtrans-64.8-49.4170.8-78.3-175.82200112.5R135 L733 R734 L735 V739 R740 K741R135-Q737 PolarHBondContact NE-O 2.78Å; L733-Q737 WeakPolarHBondContact O-CG 3.45Å; L733-Q737 PolarHBondContact O-N 2.79Å; R734-Q737 WeakPolarHBondContact O-CB 3.38Å; R734-Q737 PolarHBondContact O-N 3.46Å; L735-Q737 VanDerWaalsContact C-N 3.27Å; L735-Q737 PolarHBondContact O-N 2.89Å; Q737-V739 VanDerWaalsContact C-N 3.27Å; Q737-V739 PolarHBondContact O-N 3.21Å; Q737-R740 CarbonylContact O-C 3.56Å; Q737-R740 WeakPolarHBondContact O-CB 3.48Å; Q737-R740 PolarHBondContact O-N 3.35Å; Q737-R740 VanDerWaalsContact O-N 3.14Å; Q737-K741 PolarHBondContact O-N 2.96Å
738D85.6Confident88Confident46 Ų4679.3 Ų79.325%0.24638%0.381CS..Hα-helixtrans-71.4-16.9-179.9-75.6-25.7000113.4R734 L735 K741 K742R734-D738 PolarHBondContact O-N 3.48Å; L735-D738 CarbonylContact O-C 3.54Å; L735-D738 PolarHBondContact O-N 2.76Å; D738-K741 WeakPolarHBondContact O-CB 3.45Å; D738-K741 WeakPolarHBondContact OD1-CD 3.47Å; D738-K741 WeakPolarHBondContact OD1-CE 3.42Å; D738-K742 WeakPolarHBondContact O-CG 3.33Å; D738-K742 PolarHBondContact O-N 2.98Å
739V90.9Very high88.4Confident76 Ų7678.6 Ų78.646%0.46138%0.378SS..Hα-helixtrans-76.8-44.6165.7167.80000111L735 Q737 K741 K742 K743L735-V739 WeakPolarHBondContact O-CB 3.24Å; L735-V739 VanDerWaalsContact O-CG2 3.32Å; L735-V739 WeakPolarHBondContact O-CG2 3.43Å; L735-V739 PolarHBondContact O-N 3.06Å; Q737-V739 VanDerWaalsContact C-N 3.27Å; Q737-V739 PolarHBondContact O-N 3.21Å; V739-K741 PolarHBondContact O-N 2.9Å; V739-K742 PolarHBondContact O-N 3.15Å; V739-K743 WeakPolarHBondContact O-CB 3.12Å; V739-K743 WeakPolarHBondContact O-CG 3.07Å; V739-K743 PolarHBondContact O-N 2.9Å
740R83.8Confident88.9Confident72 Ų7274.1 Ų74.127%0.27236%0.359SS..Hα-helixtrans-57.9-35171.2-74.7170.4168.2177.7-7.9110.9R135 Q736 Q737 Q744 I796R135-R740 VanDerWaalsContact NH2-CB 3.33Å; Q736-R740 WeakPolarHBondContact O-CG 3.48Å; Q736-R740 PolarHBondContact O-N 2.63Å; Q736-R740 VanDerWaalsContact O-N 3.08Å; Q737-R740 CarbonylContact O-C 3.56Å; Q737-R740 WeakPolarHBondContact O-CB 3.48Å; Q737-R740 PolarHBondContact O-N 3.35Å; Q737-R740 VanDerWaalsContact O-N 3.14Å; R740-Q744 WeakPolarHBondContact O-CB 3.5Å; R740-Q744 WeakPolarHBondContact O-CG 3.46Å; R740-Q744 PolarHBondContact O-N 2.9Å; R740-Q744 VanDerWaalsContact O-N 3.1Å; R740-Q744 PolarHBondContact O-NE2 3.3Å; R740-I796 HydrophobicContact CG-CG2 3.96Å; R740-I796 PolarHBondContact NH2-O 2.79Å
741K91.1Very high89.6Confident31 Ų3170.9 Ų70.914%0.13535%0.345CS..Hα-helixtrans-56.4-64.3172.9-167.1175.7-87.2-750111.9D133 D134 R135 Q737 D738 V739 K743 Q744 E745D133-K741 VanDerWaalsContact OD2-CA 3.26Å; D133-K741 WeakPolarHBondContact OD2-CA 3.27Å; D134-K741 WeakPolarHBondContact OD1-CE 3.49Å; D134-K741 IonicContact OD1-NZ 2.63Å; D134-K741 PolarHBondContact OD1-NZ 3.47Å; D134-K741 IonicContact OD2-NZ 3.71Å; D134-K741 PolarHBondContact OD2-NZ 3.32Å; R135-K741 VanDerWaalsContact NH1-CA 3.32Å; R135-K741 PolarHBondContact O-NZ 3.48Å; Q737-K741 PolarHBondContact O-N 2.96Å; D738-K741 WeakPolarHBondContact O-CB 3.45Å; D738-K741 WeakPolarHBondContact OD1-CD 3.47Å; D738-K741 WeakPolarHBondContact OD1-CE 3.42Å; V739-K741 PolarHBondContact O-N 2.9Å; K741-K743 VanDerWaalsContact C-N 3.33Å; K741-K743 PolarHBondContact O-N 3.2Å; K741-Q744 WeakPolarHBondContact O-CA 3.1Å; K741-Q744 PolarHBondContact O-N 3.08Å; K741-E745 PolarHBondContact O-N 3.11Å
742K90.4Very high89.8Confident132 Ų13271.4 Ų71.457%0.57435%0.347SS*.Hα-helixtrans-60.2-40.2-178.3-67.4173.1-178.1-177.40112.3D738 V739 Q744 I746D738-K742 WeakPolarHBondContact O-CG 3.33Å; D738-K742 PolarHBondContact O-N 2.98Å; V739-K742 PolarHBondContact O-N 3.15Å; K742-Q744 PolarHBondContact O-N 3.24Å; K742-I746 VanDerWaalsContact O-CB 3.3Å; K742-I746 WeakPolarHBondContact O-CB 3.42Å; K742-I746 VanDerWaalsContact O-CD1 3.3Å; K742-I746 WeakPolarHBondContact O-CD1 3.46Å; K742-I746 WeakPolarHBondContact O-CG1 3.44Å; K742-I746 PolarHBondContact O-N 2.93Å
743K88Confident90.1Very high52 Ų5271.5 Ų71.523%0.22634%0.342CS..Hα-helixtrans-61-30.4172.9-73.9-159.6-178.9-159.20113V739 K741 L747 E792 I793 I796V739-K743 WeakPolarHBondContact O-CB 3.12Å; V739-K743 WeakPolarHBondContact O-CG 3.07Å; V739-K743 PolarHBondContact O-N 2.9Å; K741-K743 VanDerWaalsContact C-N 3.33Å; K741-K743 PolarHBondContact O-N 3.2Å; K743-L747 WeakPolarHBondContact O-CD2 3.37Å; K743-E792 IonicContact NZ-OE2 2.71Å; K743-E792 PolarHBondContact NZ-OE2 3.2Å; K743-I793 HydrophobicContact CB-CG1 4.41Å; K743-I796 HydrophobicContact CD-CD1 4.2Å
744Q89.7Confident90.4Very high27 Ų2768 Ų6813%0.12632%0.323CS..Hα-helixtrans-82.9-44.4179.3-78167113.200112.7R131 D133 R135 R740 K741 K742 I746 E748 I793R131-Q744 PolarHBondContact NH1-O 2.91Å; D133-Q744 HydrophobicContact CB-CB 3.82Å; D133-Q744 HydrophobicContact CB-CG 4.5Å; D133-Q744 VanDerWaalsContact CG-NE2 3.29Å; D133-Q744 PolarHBondContact OD1-NE2 3.26Å; D133-Q744 WeakPolarHBondContact OD2-CB 3.41Å; R135-Q744 VanDerWaalsContact NH2-NE2 3.17Å; R740-Q744 WeakPolarHBondContact O-CB 3.5Å; R740-Q744 WeakPolarHBondContact O-CG 3.46Å; R740-Q744 PolarHBondContact O-N 2.9Å; R740-Q744 VanDerWaalsContact O-N 3.1Å; R740-Q744 PolarHBondContact O-NE2 3.3Å; K741-Q744 WeakPolarHBondContact O-CA 3.1Å; K741-Q744 PolarHBondContact O-N 3.08Å; K742-Q744 PolarHBondContact O-N 3.24Å; Q744-I746 PolarHBondContact O-N 3.04Å; Q744-E748 PolarHBondContact O-N 3Å; Q744-E748 VanDerWaalsContact O-N 3.11Å; Q744-I793 HydrophobicContact CG-CD1 3.69Å; Q744-I793 HydrophobicContact CG-CG1 4.32Å
745E93.6Very high90.6Very high78 Ų7871.8 Ų71.836%0.36434%0.341SS..Hα-helixtrans-54.5-45.2170.9-171.9-162.8151.700112.5K741 L747 E748 K749K741-E745 PolarHBondContact O-N 3.11Å; E745-L747 PolarHBondContact O-N 3.14Å; E745-E748 WeakPolarHBondContact O-CB 3.38Å; E745-E748 PolarHBondContact O-N 2.94Å; E745-E748 VanDerWaalsContact O-N 3.09Å; E745-K749 HydrophobicContact CG-CD 4.46Å; E745-K749 PolarHBondContact O-N 2.81Å; E745-K749 WeakPolarHBondContact OE1-CE 3.13Å; E745-K749 IonicContact OE1-NZ 2.67Å; E745-K749 PolarHBondContact OE1-NZ 3.18Å
746I93.6Very high90.7Very high81 Ų8171.6 Ų71.642%0.41534%0.34SS..Hα-helixtrans-58.2-43.2-174.1-77.5165.2000113K742 Q744 K749 H750 L789K742-I746 VanDerWaalsContact O-CB 3.3Å; K742-I746 WeakPolarHBondContact O-CB 3.42Å; K742-I746 VanDerWaalsContact O-CD1 3.3Å; K742-I746 WeakPolarHBondContact O-CD1 3.46Å; K742-I746 WeakPolarHBondContact O-CG1 3.44Å; K742-I746 PolarHBondContact O-N 2.93Å; Q744-I746 PolarHBondContact O-N 3.04Å; I746-K749 WeakPolarHBondContact O-CB 3.41Å; I746-K749 PolarHBondContact O-N 3.03Å; I746-H750 PolarHBondContact O-CD2 3.22Å; I746-H750 PolarHBondContact O-N 3.08Å; I746-H750 VanDerWaalsContact O-N 3.11Å; I746-L789 HydrophobicContact CG2-CD1 3.88Å
747L93.8Very high90.8Very high0 Ų068.3 Ų68.30%033%0.326CS..Hα-helixtrans-101.812.617483.7159.6000115.4R130 R131 K743 E745 H750 I751 I786 L789 Q790 I793R130-L747 HydrophobicContact CG-CD1 4.43Å; R130-L747 PolarHBondContact NH1-O 2.86Å; R131-L747 VanDerWaalsContact CZ-CG 3.43Å; R131-L747 VanDerWaalsContact NH2-CG 3.31Å; K743-L747 WeakPolarHBondContact O-CD2 3.37Å; E745-L747 PolarHBondContact O-N 3.14Å; L747-H750 HydrophobicContact CB-CB 3.84Å; L747-I751 WeakPolarHBondContact O-CG1 3.36Å; L747-I751 PolarHBondContact O-N 3.05Å; L747-I786 HydrophobicContact CD1-CB 4.43Å; L747-I786 HydrophobicContact CD1-CG2 4.36Å; L747-I786 WeakPolarHBondContact CD1-O 3.34Å; L747-L789 HydrophobicContact CB-CB 4.49Å; L747-L789 HydrophobicContact CB-CD1 4.18Å; L747-L789 HydrophobicContact CD1-CB 3.76Å; L747-L789 HydrophobicContact CD2-CB 3.6Å; L747-L789 HydrophobicContact CD2-CD1 4.29Å; L747-L789 HydrophobicContact CG-CB 4.14Å; L747-Q790 HydrophobicContact CD1-CG 3.95Å; L747-I793 HydrophobicContact CD2-CD1 3.8Å
748E92.1Very high91Very high95 Ų9565.9 Ų65.944%0.44432%0.315SS..Hα-helixtrans-73.1-44.9145.4-178.7157.8-128.100109.8Q744 E745 H750 I751 E752Q744-E748 PolarHBondContact O-N 3Å; Q744-E748 VanDerWaalsContact O-N 3.11Å; E745-E748 WeakPolarHBondContact O-CB 3.38Å; E745-E748 PolarHBondContact O-N 2.94Å; E745-E748 VanDerWaalsContact O-N 3.09Å; E748-H750 PolarHBondContact O-N 2.79Å; E748-I751 CarbonylContact O-C 3.58Å; E748-I751 VanDerWaalsContact O-CA 3.26Å; E748-I751 WeakPolarHBondContact O-CA 3.3Å; E748-I751 WeakPolarHBondContact O-CB 3.31Å; E748-I751 PolarHBondContact O-N 3.05Å; E748-E752 WeakPolarHBondContact O-CG 3.23Å; E748-E752 PolarHBondContact O-N 2.78Å
749K94.8Very high91.2Very high106 Ų10665 Ų6546%0.46131%0.313SS..Hα-helixtrans-61.3-31.2171.2-69.2170174.9174.60112.6E745 I746 E752 T753E745-K749 HydrophobicContact CG-CD 4.46Å; E745-K749 PolarHBondContact O-N 2.81Å; E745-K749 WeakPolarHBondContact OE1-CE 3.13Å; E745-K749 IonicContact OE1-NZ 2.67Å; E745-K749 PolarHBondContact OE1-NZ 3.18Å; I746-K749 WeakPolarHBondContact O-CB 3.41Å; I746-K749 PolarHBondContact O-N 3.03Å; K749-E752 WeakPolarHBondContact CA-OE2 3.36Å; K749-E752 PolarHBondContact O-N 3.45Å; K749-T753 WeakPolarHBondContact O-CG2 3.48Å; K749-T753 PolarHBondContact O-N 2.98Å; K749-T753 PolarHBondContact O-OG1 3.45Å
750H91.5Very high91Very high49 Ų4967 Ų6723%0.22732%0.316CS..Hα-helixtrans-77.7-12.6165-55.7-57.4000115R130 I746 L747 E748 T753 Q754 L782 I786R130-H750 VanDerWaalsContact NH1-C 3.28Å; R130-H750 PolarHBondContact NH1-O 3.24Å; I746-H750 PolarHBondContact O-CD2 3.22Å; I746-H750 PolarHBondContact O-N 3.08Å; I746-H750 VanDerWaalsContact O-N 3.11Å; L747-H750 HydrophobicContact CB-CB 3.84Å; E748-H750 PolarHBondContact O-N 2.79Å; H750-T753 WeakPolarHBondContact CA-OG1 3.34Å; H750-Q754 VanDerWaalsContact O-CB 3.28Å; H750-Q754 WeakPolarHBondContact O-CB 3.3Å; H750-L782 HydrophobicContact CB-CD2 4.2Å; H750-L782 WeakPolarHBondContact ND1-CD2 3.33Å; H750-I786 HydrophobicContact CB-CD1 3.97Å; H750-I786 HydrophobicContact CB-CG1 3.61Å; H750-I786 WeakPolarHBondContact O-CD1 3.35Å
751I94.6Very high91Very high30 Ų3065.6 Ų65.615%0.15431%0.313CS..Hα-helixtrans-70.2-53159.9-63.5165.2000107.8R130 L747 E748 Q754 K755R130-I751 HydrophobicContact CB-CD1 4.36Å; R130-I751 VanDerWaalsContact NH1-CA 3.25Å; L747-I751 WeakPolarHBondContact O-CG1 3.36Å; L747-I751 PolarHBondContact O-N 3.05Å; E748-I751 CarbonylContact O-C 3.58Å; E748-I751 VanDerWaalsContact O-CA 3.26Å; E748-I751 WeakPolarHBondContact O-CA 3.3Å; E748-I751 WeakPolarHBondContact O-CB 3.31Å; E748-I751 PolarHBondContact O-N 3.05Å; I751-Q754 PolarHBondContact O-N 2.84Å; I751-K755 HydrophobicContact CG2-CD 3.63Å; I751-K755 HydrophobicContact CG2-CG 3.89Å; I751-K755 WeakPolarHBondContact O-CB 3.39Å; I751-K755 WeakPolarHBondContact O-CG 3.48Å; I751-K755 PolarHBondContact O-N 2.83Å
752E92.9Very high90.8Very high99 Ų9970.3 Ų70.346%0.46334%0.335SS..Hα-helixtrans-61.9-48.9-170-65.3173139.400111.7E748 K749 Q754 K755 L756E748-E752 WeakPolarHBondContact O-CG 3.23Å; E748-E752 PolarHBondContact O-N 2.78Å; K749-E752 WeakPolarHBondContact CA-OE2 3.36Å; K749-E752 PolarHBondContact O-N 3.45Å; E752-Q754 VanDerWaalsContact C-N 3.34Å; E752-Q754 PolarHBondContact O-N 2.91Å; E752-K755 PolarHBondContact O-N 2.91Å; E752-L756 WeakPolarHBondContact O-CB 3.42Å; E752-L756 VanDerWaalsContact O-CG 3.24Å; E752-L756 WeakPolarHBondContact O-CG 3.37Å; E752-L756 PolarHBondContact O-N 2.8Å
753T88.8Confident90.5Very high59 Ų5971.7 Ų71.736%0.36234%0.342SS..Hα-helixtrans-61.2-40.1175.247.20000112.4K749 H750 L756 L757K749-T753 WeakPolarHBondContact O-CG2 3.48Å; K749-T753 PolarHBondContact O-N 2.98Å; K749-T753 PolarHBondContact O-OG1 3.45Å; H750-T753 WeakPolarHBondContact CA-OG1 3.34Å; T753-L756 PolarHBondContact O-N 3.44Å; T753-L757 WeakPolarHBondContact O-CB 3.37Å; T753-L757 VanDerWaalsContact O-CG 3.29Å; T753-L757 WeakPolarHBondContact O-CG 3.21Å; T753-L757 PolarHBondContact O-N 2.88Å
754Q91.6Very high89.8Confident21 Ų2172.7 Ų72.710%0.09835%0.349CS..Hα-helixtrans-65.8-43.9174.9-164.7-170.425.900111.8H750 I751 E752 L757 I758 L779 L782 T783 I786H750-Q754 VanDerWaalsContact O-CB 3.28Å; H750-Q754 WeakPolarHBondContact O-CB 3.3Å; I751-Q754 PolarHBondContact O-N 2.84Å; E752-Q754 VanDerWaalsContact C-N 3.34Å; E752-Q754 PolarHBondContact O-N 2.91Å; Q754-L757 PolarHBondContact O-N 3.18Å; Q754-I758 HydrophobicContact CG-CD1 4.18Å; Q754-I758 WeakPolarHBondContact O-CB 3.39Å; Q754-I758 VanDerWaalsContact O-CG1 3.28Å; Q754-I758 WeakPolarHBondContact O-CG1 3.48Å; Q754-I758 PolarHBondContact O-N 3.01Å; Q754-L779 HydrophobicContact CB-CD2 4.33Å; Q754-L779 HydrophobicContact CG-CD2 3.56Å; Q754-L782 HydrophobicContact CB-CD1 4.48Å; Q754-T783 PolarHBondContact NE2-OG1 3.13Å; Q754-I786 HydrophobicContact CB-CD1 4.3Å; Q754-I786 HydrophobicContact CG-CD1 4.42Å
755K91.9Very high89.3Confident142 Ų14280 Ų8062%0.61738%0.381SS*.Hα-helixtrans-62.3-41174.4-78-177.1179.1170.10111.9I751 E752 I758 S759I751-K755 HydrophobicContact CG2-CD 3.63Å; I751-K755 HydrophobicContact CG2-CG 3.89Å; I751-K755 WeakPolarHBondContact O-CB 3.39Å; I751-K755 WeakPolarHBondContact O-CG 3.48Å; I751-K755 PolarHBondContact O-N 2.83Å; E752-K755 PolarHBondContact O-N 2.91Å; K755-I758 PolarHBondContact O-N 2.62Å; K755-S759 VanDerWaalsContact O-CB 3.31Å; K755-S759 WeakPolarHBondContact O-CB 3.14Å; K755-S759 PolarHBondContact O-N 3.12Å
756L92.1Very high88.5Confident112 Ų11283 Ų8359%0.58640%0.404SS*.Hα-helixtrans-67-39.7177.6-75.1167.3000111.7E752 T753 K760E752-L756 WeakPolarHBondContact O-CB 3.42Å; E752-L756 VanDerWaalsContact O-CG 3.24Å; E752-L756 WeakPolarHBondContact O-CG 3.37Å; E752-L756 PolarHBondContact O-N 2.8Å; T753-L756 PolarHBondContact O-N 3.44Å; L756-K760 WeakPolarHBondContact O-CB 3.46Å; L756-K760 VanDerWaalsContact O-CG 3.3Å; L756-K760 WeakPolarHBondContact O-CG 3.32Å; L756-K760 PolarHBondContact O-N 2.69Å
757L89.2Confident87.5Confident33 Ų3382 Ų8217%0.17340%0.398CS..Hα-helixtrans-68.7-41.8174.8-72.8171.3000112T753 Q754 K760 L761 I775 L779 L782T753-L757 WeakPolarHBondContact O-CB 3.37Å; T753-L757 VanDerWaalsContact O-CG 3.29Å; T753-L757 WeakPolarHBondContact O-CG 3.21Å; T753-L757 PolarHBondContact O-N 2.88Å; Q754-L757 PolarHBondContact O-N 3.18Å; L757-K760 PolarHBondContact O-N 3.19Å; L757-L761 PolarHBondContact O-N 2.93Å; L757-I775 HydrophobicContact CB-CG2 4.07Å; L757-I775 HydrophobicContact CD2-CG1 4.33Å; L757-I775 HydrophobicContact CD2-CG2 4.06Å; L757-L779 HydrophobicContact CB-CD1 4.41Å; L757-L779 HydrophobicContact CB-CD2 3.65Å; L757-L779 HydrophobicContact CB-CG 3.96Å; L757-L779 HydrophobicContact CD1-CD2 4.25Å; L757-L779 HydrophobicContact CD1-CG 4.37Å; L757-L782 HydrophobicContact CD1-CD1 3.58Å
758I90.1Very high87.1Confident42 Ų4289.1 Ų89.122%0.21543%0.43CS..Hα-helixtrans-58.9-50.6171.4-72.4165000110.3Q754 K755 K760 L761 E762 L779Q754-I758 HydrophobicContact CG-CD1 4.18Å; Q754-I758 WeakPolarHBondContact O-CB 3.39Å; Q754-I758 VanDerWaalsContact O-CG1 3.28Å; Q754-I758 WeakPolarHBondContact O-CG1 3.48Å; Q754-I758 PolarHBondContact O-N 3.01Å; K755-I758 PolarHBondContact O-N 2.62Å; I758-K760 PolarHBondContact O-N 2.83Å; I758-L761 WeakPolarHBondContact O-CB 3.35Å; I758-L761 PolarHBondContact O-N 2.94Å; I758-E762 HydrophobicContact CG2-CG 4.24Å; I758-E762 VanDerWaalsContact CG2-OE1 3.22Å; I758-E762 WeakPolarHBondContact CG2-OE1 3.4Å; I758-E762 WeakPolarHBondContact O-CG 3.37Å; I758-E762 PolarHBondContact O-N 2.89Å; I758-L779 HydrophobicContact CD1-CD2 4.47Å; I758-L779 HydrophobicContact CG1-CD1 4.22Å; I758-L779 HydrophobicContact CG1-CD2 3.94Å
759S91.4Very high86.6Confident28 Ų2888.5 Ų88.520%0.19644%0.441CS..Hα-helixtrans-64.4-28.6179.6-1580000112.8K755 K763K755-S759 VanDerWaalsContact O-CB 3.31Å; K755-S759 WeakPolarHBondContact O-CB 3.14Å; K755-S759 PolarHBondContact O-N 3.12Å; S759-K763 VanDerWaalsContact O-CB 3.28Å; S759-K763 WeakPolarHBondContact O-CB 3.37Å; S759-K763 WeakPolarHBondContact O-CD 3.35Å; S759-K763 VanDerWaalsContact O-CG 3.32Å; S759-K763 WeakPolarHBondContact O-CG 3.33Å; S759-K763 PolarHBondContact O-N 3.07Å; S759-K763 WeakPolarHBondContact OG-CE 3.13Å; S759-K763 PolarHBondContact OG-NZ 3.08Å
760K86.2Confident86.1Confident119 Ų11989.6 Ų89.652%0.51745%0.448SS..Hα-helixtrans-67.6-40.8170.1-81.1177.7177.3-174.60112.3L756 L757 I758 N764L756-K760 WeakPolarHBondContact O-CB 3.46Å; L756-K760 VanDerWaalsContact O-CG 3.3Å; L756-K760 WeakPolarHBondContact O-CG 3.32Å; L756-K760 PolarHBondContact O-N 2.69Å; L757-K760 PolarHBondContact O-N 3.19Å; I758-K760 PolarHBondContact O-N 2.83Å; K760-N764 VanDerWaalsContact O-CB 3.31Å; K760-N764 WeakPolarHBondContact O-CB 3.35Å; K760-N764 PolarHBondContact O-N 3.46Å; K760-N764 VanDerWaalsContact O-N 3.15Å; K760-N764 PolarHBondContact O-ND2 3.27Å
761L84.2Confident85.7Confident42 Ų4289.6 Ų89.622%0.2245%0.449CS..Hα-helixtrans-65.6-43.4173.2-69178.3000112.2L757 I758 K772 I775 M776 L779L757-L761 PolarHBondContact O-N 2.93Å; I758-L761 WeakPolarHBondContact O-CB 3.35Å; I758-L761 PolarHBondContact O-N 2.94Å; L761-K772 HydrophobicContact CD2-CB 4.41Å; L761-K772 HydrophobicContact CD2-CG 4.09Å; L761-I775 HydrophobicContact CD1-CG2 3.89Å; L761-I775 HydrophobicContact CD2-CB 4Å; L761-I775 HydrophobicContact CD2-CD1 4.15Å; L761-I775 HydrophobicContact CD2-CG2 3.71Å; L761-I775 HydrophobicContact CG-CB 4.46Å; L761-I775 HydrophobicContact CG-CG2 3.61Å; L761-M776 HydrophobicContact CD1-CG 4.5Å; L761-M776 HydrophobicContact CD1-SD 3.85Å; L761-L779 HydrophobicContact CD1-CD1 3.66Å
762E86.1Confident85.3Confident129 Ų12991.5 Ų91.560%0.60346%0.456SS*.Hα-helixtrans-66.1-46.5-177.7-70.3167.2164.100112.3I758I758-E762 HydrophobicContact CG2-CG 4.24Å; I758-E762 VanDerWaalsContact CG2-OE1 3.22Å; I758-E762 WeakPolarHBondContact CG2-OE1 3.4Å; I758-E762 WeakPolarHBondContact O-CG 3.37Å; I758-E762 PolarHBondContact O-N 2.89Å
763K84.3Confident85.1Confident162 Ų16289.5 Ų89.570%0.70446%0.457SS*.Hα-helixtrans-74.7-32.6-178.4-71167.2176.1155.20112.8S759S759-K763 VanDerWaalsContact O-CB 3.28Å; S759-K763 WeakPolarHBondContact O-CB 3.37Å; S759-K763 WeakPolarHBondContact O-CD 3.35Å; S759-K763 VanDerWaalsContact O-CG 3.32Å; S759-K763 WeakPolarHBondContact O-CG 3.33Å; S759-K763 PolarHBondContact O-N 3.07Å; S759-K763 WeakPolarHBondContact OG-CE 3.13Å; S759-K763 PolarHBondContact OG-NZ 3.08Å
764N73.7Confident85.2Confident73 Ų7391.4 Ų91.439%0.3946%0.46SS..  trans-107.164.6-175.2-54.5-80000111.8K760 T766 M767K760-N764 VanDerWaalsContact O-CB 3.31Å; K760-N764 WeakPolarHBondContact O-CB 3.35Å; K760-N764 PolarHBondContact O-N 3.46Å; K760-N764 VanDerWaalsContact O-N 3.15Å; K760-N764 PolarHBondContact O-ND2 3.27Å; N764-T766 PolarHBondContact O-N 3.21Å; N764-M767 HydrophobicContact CB-CG 3.45Å; N764-M767 VanDerWaalsContact CB-CG 3.45Å; N764-M767 HydrophobicContact CB-SD 4.04Å; N764-M767 PolarHBondContact O-N 2.82Å; N764-M767 VanDerWaalsContact O-N 3.1Å
765K77.9Confident85.1Confident180 Ų18091.4 Ų91.478%0.78346%0.461SS*.THydrogen-bonded Turntrans-50.4-28175.1-87.8-177174.5176.40113.6K772K765-K772 PolarHBondContact O-NZ 3.36Å
766T77.1Confident84.9Confident140 Ų14090.1 Ų90.186%0.85946%0.458SS*.THydrogen-bonded Turntrans-91.15.9-17749.20000115.8N764N764-T766 PolarHBondContact O-N 3.21Å
767M73.2Confident85Confident60 Ų6091.2 Ų91.230%0.29646%0.461SS..  trans-60.7146.7176-65.8-159.277.900112.9N764 D771 K772 I775N764-M767 HydrophobicContact CB-CG 3.45Å; N764-M767 VanDerWaalsContact CB-CG 3.45Å; N764-M767 HydrophobicContact CB-SD 4.04Å; N764-M767 PolarHBondContact O-N 2.82Å; N764-M767 VanDerWaalsContact O-N 3.1Å; M767-D771 HydrophobicContact CE-CB 3.86Å; M767-K772 HydrophobicContact CB-CG 4.02Å; M767-K772 WeakPolarHBondContact O-CE 3.21Å; M767-K772 PolarHBondContact O-NZ 2.84Å; M767-I775 HydrophobicContact CE-CD1 4.48Å; M767-I775 HydrophobicContact SD-CD1 3.94Å
768K84.8Confident85Confident150 Ų15092.5 Ų92.565%0.65247%0.47SS*.  trans-53.2146.7173.1-65.7-177.3176.9-1760111.2E770 D771 K772K768-E770 VanDerWaalsContact C-N 3.31Å; K768-E770 PolarHBondContact O-N 3.01Å; K768-D771 PolarHBondContact O-N 2.79Å; K768-D771 VanDerWaalsContact O-N 3.17Å; K768-K772 PolarHBondContact O-N 3.44Å; K768-K772 VanDerWaalsContact O-N 3.07Å
769A83.4Confident85.1Confident83 Ų8391.2 Ų91.269%0.68646%0.463SS*.Hα-helixtrans-58.8-41.1-177.500000112.6D771 K772 A773A769-D771 PolarHBondContact O-N 3.12Å; A769-K772 PolarHBondContact O-N 2.9Å; A769-A773 PolarHBondContact O-N 3.4Å
770E83.6Confident85.2Confident129 Ų12991.3 Ų91.360%0.60347%0.468SS*.Hα-helixtrans-59.5-42.7175.9-63169-141.500113.1K768 A773 K774K768-E770 VanDerWaalsContact C-N 3.31Å; K768-E770 PolarHBondContact O-N 3.01Å; E770-A773 WeakPolarHBondContact O-CB 3.4Å; E770-A773 PolarHBondContact O-N 3.29Å; E770-K774 VanDerWaalsContact O-CG 3.26Å; E770-K774 WeakPolarHBondContact O-CG 3.29Å; E770-K774 PolarHBondContact O-N 3.03Å; E770-K774 IonicContact OE2-NZ 3.12Å; E770-K774 PolarHBondContact OE2-NZ 3.3Å
771D83.3Confident85.5Confident48 Ų4889.4 Ų89.426%0.25747%0.467SS..Hα-helixtrans-75.4-33.4-176.9-58.9-35.2000110.8M767 K768 A769 A773 K774 I775M767-D771 HydrophobicContact CE-CB 3.86Å; K768-D771 PolarHBondContact O-N 2.79Å; K768-D771 VanDerWaalsContact O-N 3.17Å; A769-D771 PolarHBondContact O-N 3.12Å; D771-A773 VanDerWaalsContact C-N 3.33Å; D771-K774 PolarHBondContact O-N 2.69Å; D771-K774 IonicContact OD1-NZ 3.44Å; D771-K774 PolarHBondContact OD1-NZ 2.9Å; D771-I775 WeakPolarHBondContact O-CB 3.33Å; D771-I775 WeakPolarHBondContact O-CD1 3.39Å; D771-I775 WeakPolarHBondContact O-CG1 3.31Å; D771-I775 PolarHBondContact O-N 2.61Å
772K85.9Confident85.9Confident70 Ų7088.5 Ų88.530%0.30446%0.462SS..Hα-helixtrans-61.1-40.7165.8-72174.7175.2156.30111.6L761 K765 M767 K768 A769 I775 M776L761-K772 HydrophobicContact CD2-CB 4.41Å; L761-K772 HydrophobicContact CD2-CG 4.09Å; K765-K772 PolarHBondContact O-NZ 3.36Å; M767-K772 HydrophobicContact CB-CG 4.02Å; M767-K772 WeakPolarHBondContact O-CE 3.21Å; M767-K772 PolarHBondContact O-NZ 2.84Å; K768-K772 PolarHBondContact O-N 3.44Å; K768-K772 VanDerWaalsContact O-N 3.07Å; A769-K772 PolarHBondContact O-N 2.9Å; K772-I775 PolarHBondContact O-N 3.07Å; K772-M776 WeakPolarHBondContact O-CB 3.43Å; K772-M776 VanDerWaalsContact O-CG 3.28Å; K772-M776 WeakPolarHBondContact O-CG 3.48Å; K772-M776 PolarHBondContact O-N 3.38Å
773A89Confident86.2Confident58 Ų5884.7 Ų84.748%0.47945%0.448SS..Hα-helixtrans-63.9-48.2176.300000111.9A769 E770 D771 I775 M776 E777A769-A773 PolarHBondContact O-N 3.4Å; E770-A773 WeakPolarHBondContact O-CB 3.4Å; E770-A773 PolarHBondContact O-N 3.29Å; D771-A773 VanDerWaalsContact C-N 3.33Å; A773-I775 VanDerWaalsContact C-N 3.3Å; A773-I775 PolarHBondContact O-N 3.02Å; A773-M776 PolarHBondContact O-N 2.89Å; A773-M776 VanDerWaalsContact O-N 3.12Å; A773-E777 WeakPolarHBondContact O-CB 3.48Å; A773-E777 PolarHBondContact O-N 3.14Å
774K90.9Very high86.7Confident99 Ų9984.4 Ų84.443%0.4345%0.446SS..Hα-helixtrans-58.4-39.2174.8-64.3160.2-153.21610112E770 D771 T778E770-K774 VanDerWaalsContact O-CG 3.26Å; E770-K774 WeakPolarHBondContact O-CG 3.29Å; E770-K774 PolarHBondContact O-N 3.03Å; E770-K774 IonicContact OE2-NZ 3.12Å; E770-K774 PolarHBondContact OE2-NZ 3.3Å; D771-K774 PolarHBondContact O-N 2.69Å; D771-K774 IonicContact OD1-NZ 3.44Å; D771-K774 PolarHBondContact OD1-NZ 2.9Å; K774-T778 WeakPolarHBondContact O-CB 3.27Å; K774-T778 WeakPolarHBondContact O-CG2 3.17Å; K774-T778 PolarHBondContact O-N 3.44Å; K774-T778 PolarHBondContact O-OG1 2.75Å
775I88.9Confident87.6Confident20 Ų2082.6 Ų82.610%0.10344%0.439CS..Hα-helixtrans-69.8-40175.4-66.2163.3000111.3L757 L761 M767 D771 K772 A773 T778 L779L757-I775 HydrophobicContact CB-CG2 4.07Å; L757-I775 HydrophobicContact CD2-CG1 4.33Å; L757-I775 HydrophobicContact CD2-CG2 4.06Å; L761-I775 HydrophobicContact CD1-CG2 3.89Å; L761-I775 HydrophobicContact CD2-CB 4Å; L761-I775 HydrophobicContact CD2-CD1 4.15Å; L761-I775 HydrophobicContact CD2-CG2 3.71Å; L761-I775 HydrophobicContact CG-CB 4.46Å; L761-I775 HydrophobicContact CG-CG2 3.61Å; M767-I775 HydrophobicContact CE-CD1 4.48Å; M767-I775 HydrophobicContact SD-CD1 3.94Å; D771-I775 WeakPolarHBondContact O-CB 3.33Å; D771-I775 WeakPolarHBondContact O-CD1 3.39Å; D771-I775 WeakPolarHBondContact O-CG1 3.31Å; D771-I775 PolarHBondContact O-N 2.61Å; K772-I775 PolarHBondContact O-N 3.07Å; A773-I775 VanDerWaalsContact C-N 3.3Å; A773-I775 PolarHBondContact O-N 3.02Å; I775-T778 WeakPolarHBondContact CA-OG1 3.31Å; I775-T778 PolarHBondContact O-OG1 3.39Å; I775-T778 VanDerWaalsContact O-OG1 3.13Å; I775-L779 HydrophobicContact CG2-CD1 4Å; I775-L779 HydrophobicContact CG2-CG 4.37Å; I775-L779 VanDerWaalsContact O-CB 3.31Å; I775-L779 WeakPolarHBondContact O-CB 3.46Å; I775-L779 WeakPolarHBondContact O-CG 3.41Å; I775-L779 PolarHBondContact O-N 3.2Å
776M87.3Confident88.4Confident116 Ų11674 Ų7457%0.57140%0.402SS*.Hα-helixtrans-66.4-38175.3-74.4-64.3-65.800112.7L761 K772 A773 L779 G780L761-M776 HydrophobicContact CD1-CG 4.5Å; L761-M776 HydrophobicContact CD1-SD 3.85Å; K772-M776 WeakPolarHBondContact O-CB 3.43Å; K772-M776 VanDerWaalsContact O-CG 3.28Å; K772-M776 WeakPolarHBondContact O-CG 3.48Å; K772-M776 PolarHBondContact O-N 3.38Å; A773-M776 PolarHBondContact O-N 2.89Å; A773-M776 VanDerWaalsContact O-N 3.12Å; M776-L779 HydrophobicContact SD-CD1 4.32Å; M776-G780 PolarHBondContact O-N 2.86Å
777E93.6Very high89.1Confident135 Ų13570.2 Ų70.263%0.63138%0.379SS*.Hα-helixtrans-64.8-48174.6-175.5-179.5-171.300111.4A773 L779 G780 T781A773-E777 WeakPolarHBondContact O-CB 3.48Å; A773-E777 PolarHBondContact O-N 3.14Å; E777-L779 VanDerWaalsContact C-N 3.35Å; E777-L779 PolarHBondContact O-N 2.96Å; E777-G780 CarbonylContact O-C 3.54Å; E777-G780 WeakPolarHBondContact O-CA 3.49Å; E777-G780 PolarHBondContact O-N 3.36Å; E777-T781 PolarHBondContact O-N 3.26Å
778T90.4Very high90.1Very high59 Ų5973.4 Ų73.436%0.36239%0.391SS..Hα-helixtrans-67.5-32.117749.30000113K774 I775 G780 T781 L782K774-T778 WeakPolarHBondContact O-CB 3.27Å; K774-T778 WeakPolarHBondContact O-CG2 3.17Å; K774-T778 PolarHBondContact O-N 3.44Å; K774-T778 PolarHBondContact O-OG1 2.75Å; I775-T778 WeakPolarHBondContact CA-OG1 3.31Å; I775-T778 PolarHBondContact O-OG1 3.39Å; I775-T778 VanDerWaalsContact O-OG1 3.13Å; T778-G780 VanDerWaalsContact C-N 3.31Å; T778-T781 WeakPolarHBondContact CA-OG1 3.27Å; T778-T781 PolarHBondContact O-OG1 3.38Å; T778-L782 VanDerWaalsContact O-CB 3.29Å; T778-L782 WeakPolarHBondContact O-CB 3.39Å; T778-L782 VanDerWaalsContact O-CG 3.25Å; T778-L782 WeakPolarHBondContact O-CG 3.3Å; T778-L782 PolarHBondContact O-N 2.94Å
779L92.8Very high90.2Very high16 Ų1667.6 Ų67.68%0.08437%0.367CS..Hα-helixtrans-63.4-37.8166.3-76.8170.8000111.7Q754 L757 I758 L761 I775 M776 E777 T783Q754-L779 HydrophobicContact CB-CD2 4.33Å; Q754-L779 HydrophobicContact CG-CD2 3.56Å; L757-L779 HydrophobicContact CB-CD1 4.41Å; L757-L779 HydrophobicContact CB-CD2 3.65Å; L757-L779 HydrophobicContact CB-CG 3.96Å; L757-L779 HydrophobicContact CD1-CD2 4.25Å; L757-L779 HydrophobicContact CD1-CG 4.37Å; I758-L779 HydrophobicContact CD1-CD2 4.47Å; I758-L779 HydrophobicContact CG1-CD1 4.22Å; I758-L779 HydrophobicContact CG1-CD2 3.94Å; L761-L779 HydrophobicContact CD1-CD1 3.66Å; I775-L779 HydrophobicContact CG2-CD1 4Å; I775-L779 HydrophobicContact CG2-CG 4.37Å; I775-L779 VanDerWaalsContact O-CB 3.31Å; I775-L779 WeakPolarHBondContact O-CB 3.46Å; I775-L779 WeakPolarHBondContact O-CG 3.41Å; I775-L779 PolarHBondContact O-N 3.2Å; M776-L779 HydrophobicContact SD-CD1 4.32Å; E777-L779 VanDerWaalsContact C-N 3.35Å; E777-L779 PolarHBondContact O-N 2.96Å; L779-T783 WeakPolarHBondContact O-CB 3.49Å; L779-T783 PolarHBondContact O-N 3.21Å; L779-T783 PolarHBondContact O-OG1 3.02Å
780G93.1Very high90.4Very high29 Ų2965.9 Ų65.930%0.29935%0.345SS..Hα-helixtrans-65.5-45.4175.100000113.4M776 E777 T778 T783 K784M776-G780 PolarHBondContact O-N 2.86Å; E777-G780 CarbonylContact O-C 3.54Å; E777-G780 WeakPolarHBondContact O-CA 3.49Å; E777-G780 PolarHBondContact O-N 3.36Å; T778-G780 VanDerWaalsContact C-N 3.31Å; G780-T783 PolarHBondContact O-N 3.42Å; G780-K784 WeakPolarHBondContact O-CG 3.39Å; G780-K784 PolarHBondContact O-N 2.82Å; G780-K784 VanDerWaalsContact O-N 3.12Å
781T92.9Very high90.7Very high79 Ų7966.1 Ų66.149%0.48535%0.346SS..Hα-helixtrans-69.5-40177.558.10000112.1E777 T778 K784 S785E777-T781 PolarHBondContact O-N 3.26Å; T778-T781 WeakPolarHBondContact CA-OG1 3.27Å; T778-T781 PolarHBondContact O-OG1 3.38Å; T781-K784 PolarHBondContact O-N 2.84Å; T781-S785 PolarHBondContact O-N 3.25Å
782L91.9Very high90.8Very high23 Ų2366.7 Ų66.712%0.1235%0.347CS..Hα-helixtrans-58.7-48.3169.7-76.2169.4000111H750 Q754 L757 T778 K784 S785 I786H750-L782 HydrophobicContact CB-CD2 4.2Å; H750-L782 WeakPolarHBondContact ND1-CD2 3.33Å; Q754-L782 HydrophobicContact CB-CD1 4.48Å; L757-L782 HydrophobicContact CD1-CD1 3.58Å; T778-L782 VanDerWaalsContact O-CB 3.29Å; T778-L782 WeakPolarHBondContact O-CB 3.39Å; T778-L782 VanDerWaalsContact O-CG 3.25Å; T778-L782 WeakPolarHBondContact O-CG 3.3Å; T778-L782 PolarHBondContact O-N 2.94Å; L782-K784 PolarHBondContact O-N 2.83Å; L782-S785 PolarHBondContact O-N 3.05Å; L782-S785 VanDerWaalsContact O-N 3.07Å; L782-S785 PolarHBondContact O-OG 3.45Å; L782-S785 VanDerWaalsContact O-OG 3.06Å; L782-I786 HydrophobicContact CB-CD1 4.09Å; L782-I786 WeakPolarHBondContact O-CB 3.27Å; L782-I786 WeakPolarHBondContact O-CD1 3.47Å; L782-I786 WeakPolarHBondContact O-CG1 3.38Å; L782-I786 PolarHBondContact O-N 3.41Å
783T93.1Very high90.8Very high49 Ų4965.4 Ų65.430%0.30134%0.343SS..Hα-helixtrans-57.8-35.5179.5-54.70000111.8Q754 L779 G780 I786 T787Q754-T783 PolarHBondContact NE2-OG1 3.13Å; L779-T783 WeakPolarHBondContact O-CB 3.49Å; L779-T783 PolarHBondContact O-N 3.21Å; L779-T783 PolarHBondContact O-OG1 3.02Å; G780-T783 PolarHBondContact O-N 3.42Å; T783-I786 WeakPolarHBondContact O-CB 3.33Å; T783-I786 PolarHBondContact O-N 3Å; T783-T787 PolarHBondContact O-N 3.44Å; T783-T787 PolarHBondContact O-OG1 2.82Å
784K94.5Very high90.5Very high156 Ų15669.9 Ų69.968%0.67835%0.352SS*.Hα-helixtrans-71.5-38.3174.4-68.5170.5-178.6179.20113.8G780 T781 L782 I786 T787 K788G780-K784 WeakPolarHBondContact O-CG 3.39Å; G780-K784 PolarHBondContact O-N 2.82Å; G780-K784 VanDerWaalsContact O-N 3.12Å; T781-K784 PolarHBondContact O-N 2.84Å; L782-K784 PolarHBondContact O-N 2.83Å; K784-I786 VanDerWaalsContact C-N 3.28Å; K784-T787 PolarHBondContact O-OG1 2.95Å; K784-K788 WeakPolarHBondContact O-CB 3.4Å; K784-K788 PolarHBondContact O-N 3.35Å
785S92.3Very high89.5Confident35 Ų3567.2 Ų67.225%0.24535%0.353CS..Hα-helixtrans-69.3-32.4173.375.60000111.6T781 L782 L789T781-S785 PolarHBondContact O-N 3.25Å; L782-S785 PolarHBondContact O-N 3.05Å; L782-S785 VanDerWaalsContact O-N 3.07Å; L782-S785 PolarHBondContact O-OG 3.45Å; L782-S785 VanDerWaalsContact O-OG 3.06Å; S785-L789 WeakPolarHBondContact O-CB 3.29Å; S785-L789 WeakPolarHBondContact O-CG 3.35Å; S785-L789 PolarHBondContact O-N 3.38Å
786I93.8Very high88.3Confident0 Ų068.8 Ų68.80%036%0.361CS..Hα-helixtrans-67.8-44.9178.7-73.6162.2000112.1L747 H750 Q754 L782 T783 K784 Q790L747-I786 HydrophobicContact CD1-CB 4.43Å; L747-I786 HydrophobicContact CD1-CG2 4.36Å; L747-I786 WeakPolarHBondContact CD1-O 3.34Å; H750-I786 HydrophobicContact CB-CD1 3.97Å; H750-I786 HydrophobicContact CB-CG1 3.61Å; H750-I786 WeakPolarHBondContact O-CD1 3.35Å; Q754-I786 HydrophobicContact CB-CD1 4.3Å; Q754-I786 HydrophobicContact CG-CD1 4.42Å; L782-I786 HydrophobicContact CB-CD1 4.09Å; L782-I786 WeakPolarHBondContact O-CB 3.27Å; L782-I786 WeakPolarHBondContact O-CD1 3.47Å; L782-I786 WeakPolarHBondContact O-CG1 3.38Å; L782-I786 PolarHBondContact O-N 3.41Å; T783-I786 WeakPolarHBondContact O-CB 3.33Å; T783-I786 PolarHBondContact O-N 3Å; K784-I786 VanDerWaalsContact C-N 3.28Å; I786-Q790 VanDerWaalsContact CG2-NE2 3.29Å; I786-Q790 WeakPolarHBondContact O-CB 3.3Å; I786-Q790 VanDerWaalsContact O-CG 3.25Å; I786-Q790 WeakPolarHBondContact O-CG 3.46Å; I786-Q790 PolarHBondContact O-N 2.88Å; I786-Q790 PolarHBondContact O-NE2 3.21Å
787T92.1Very high86.8Confident61 Ų6166.9 Ų66.937%0.37436%0.359SS..Hα-helixtrans-67.3-47.4175.250.10000111.1T783 K784 L789 Q790 E791T783-T787 PolarHBondContact O-N 3.44Å; T783-T787 PolarHBondContact O-OG1 2.82Å; K784-T787 PolarHBondContact O-OG1 2.95Å; T787-L789 PolarHBondContact O-N 3.26Å; T787-Q790 WeakPolarHBondContact O-CA 3.42Å; T787-Q790 WeakPolarHBondContact O-CB 3.33Å; T787-Q790 PolarHBondContact O-N 3.39Å; T787-E791 WeakPolarHBondContact O-CG 3.2Å; T787-E791 PolarHBondContact O-N 2.91Å
788K93.3Very high84.4Confident126 Ų12663.8 Ų63.855%0.54835%0.352SS..Hα-helixtrans-54.3-49.1177.6-179177.3177.1179.40112.6K784 Q790 E791 E792K784-K788 WeakPolarHBondContact O-CB 3.4Å; K784-K788 PolarHBondContact O-N 3.35Å; K788-Q790 VanDerWaalsContact C-N 3.34Å; K788-Q790 PolarHBondContact O-N 2.97Å; K788-E791 WeakPolarHBondContact O-CB 3.4Å; K788-E791 PolarHBondContact O-N 3.23Å; K788-E792 VanDerWaalsContact CE-OE1 3.28Å; K788-E792 WeakPolarHBondContact CE-OE1 3.33Å; K788-E792 WeakPolarHBondContact O-CG 3.38Å; K788-E792 PolarHBondContact O-N 2.83Å
789L88.9Confident82Confident29 Ų2965.9 Ų65.915%0.15237%0.369CS..Hα-helixtrans-75.4-20.6179.9-67.7165.5000113I746 L747 S785 T787 I793I746-L789 HydrophobicContact CG2-CD1 3.88Å; L747-L789 HydrophobicContact CB-CB 4.49Å; L747-L789 HydrophobicContact CB-CD1 4.18Å; L747-L789 HydrophobicContact CD1-CB 3.76Å; L747-L789 HydrophobicContact CD2-CB 3.6Å; L747-L789 HydrophobicContact CD2-CD1 4.29Å; L747-L789 HydrophobicContact CG-CB 4.14Å; S785-L789 WeakPolarHBondContact O-CB 3.29Å; S785-L789 WeakPolarHBondContact O-CG 3.35Å; S785-L789 PolarHBondContact O-N 3.38Å; T787-L789 PolarHBondContact O-N 3.26Å; L789-I793 WeakPolarHBondContact O-CD1 3.43Å; L789-I793 VanDerWaalsContact O-CG1 3.25Å; L789-I793 WeakPolarHBondContact O-CG1 3.4Å; L789-I793 PolarHBondContact O-N 3.24Å
790Q87.4Confident79.7Confident46 Ų4668.2 Ų68.222%0.21539%0.387CS..Hα-helixtrans-66.1-44.1165.3-80.4178.48300111.1D128 R130 L747 I786 T787 K788 I793 K794D128-Q790 PolarHBondContact OD1-NE2 2.92Å; D128-Q790 VanDerWaalsContact OD1-NE2 3.08Å; R130-Q790 HydrophobicContact CG-CG 3.79Å; L747-Q790 HydrophobicContact CD1-CG 3.95Å; I786-Q790 VanDerWaalsContact CG2-NE2 3.29Å; I786-Q790 WeakPolarHBondContact O-CB 3.3Å; I786-Q790 VanDerWaalsContact O-CG 3.25Å; I786-Q790 WeakPolarHBondContact O-CG 3.46Å; I786-Q790 PolarHBondContact O-N 2.88Å; I786-Q790 PolarHBondContact O-NE2 3.21Å; T787-Q790 WeakPolarHBondContact O-CA 3.42Å; T787-Q790 WeakPolarHBondContact O-CB 3.33Å; T787-Q790 PolarHBondContact O-N 3.39Å; K788-Q790 VanDerWaalsContact C-N 3.34Å; K788-Q790 PolarHBondContact O-N 2.97Å; Q790-I793 PolarHBondContact O-N 2.93Å; Q790-K794 WeakPolarHBondContact O-CB 3.44Å; Q790-K794 PolarHBondContact O-N 3.3Å
791E89.9Confident76.9Confident134 Ų13471.2 Ų71.263%0.62640%0.403SS*.Hα-helixtrans-63.7-44176.8-70.1169.4178.200111.9T787 K788 I793 K794 G795T787-E791 WeakPolarHBondContact O-CG 3.2Å; T787-E791 PolarHBondContact O-N 2.91Å; K788-E791 WeakPolarHBondContact O-CB 3.4Å; K788-E791 PolarHBondContact O-N 3.23Å; E791-I793 VanDerWaalsContact C-N 3.31Å; E791-I793 PolarHBondContact O-N 3.42Å; E791-K794 PolarHBondContact O-N 3.19Å; E791-K794 VanDerWaalsContact O-N 3.15Å; E791-G795 PolarHBondContact O-N 3.4Å
792E85.1Confident74.2Confident61 Ų6175.2 Ų75.229%0.28542%0.421SS..Hα-helixtrans-59.5-38.8174.8-72.7-177.6-148.400112.5K743 K788 I796K743-E792 IonicContact NZ-OE2 2.71Å; K743-E792 PolarHBondContact NZ-OE2 3.2Å; K788-E792 VanDerWaalsContact CE-OE1 3.28Å; K788-E792 WeakPolarHBondContact CE-OE1 3.33Å; K788-E792 WeakPolarHBondContact O-CG 3.38Å; K788-E792 PolarHBondContact O-N 2.83Å; E792-I796 WeakPolarHBondContact O-CB 3.42Å; E792-I796 VanDerWaalsContact O-CD1 3.29Å; E792-I796 WeakPolarHBondContact O-CD1 3.36Å; E792-I796 WeakPolarHBondContact O-CG1 3.39Å; E792-I796 PolarHBondContact O-N 3.4Å
793I85.8Confident71.7Confident42 Ų4281.2 Ų81.222%0.21545%0.452CS..Hα-helixtrans-69.4-41.9174.8-69.4164000110.9K743 Q744 L747 L789 Q790 E791 I796 S797K743-I793 HydrophobicContact CB-CG1 4.41Å; Q744-I793 HydrophobicContact CG-CD1 3.69Å; Q744-I793 HydrophobicContact CG-CG1 4.32Å; L747-I793 HydrophobicContact CD2-CD1 3.8Å; L789-I793 WeakPolarHBondContact O-CD1 3.43Å; L789-I793 VanDerWaalsContact O-CG1 3.25Å; L789-I793 WeakPolarHBondContact O-CG1 3.4Å; L789-I793 PolarHBondContact O-N 3.24Å; Q790-I793 PolarHBondContact O-N 2.93Å; E791-I793 VanDerWaalsContact C-N 3.31Å; E791-I793 PolarHBondContact O-N 3.42Å; I793-I796 PolarHBondContact O-N 2.65Å; I793-S797 PolarHBondContact O-N 3.4Å
794K82.2Confident69.1Low152 Ų15289.9 Ų89.966%0.66148%0.479SS*.Hα-helixtrans-64.5-46.4-179.6-169.6177.2179.9-1770111.6Q790 E791 I796 S797 S798Q790-K794 WeakPolarHBondContact O-CB 3.44Å; Q790-K794 PolarHBondContact O-N 3.3Å; E791-K794 PolarHBondContact O-N 3.19Å; E791-K794 VanDerWaalsContact O-N 3.15Å; K794-I796 VanDerWaalsContact C-N 3.34Å; K794-I796 PolarHBondContact O-N 3.33Å; K794-S797 PolarHBondContact O-N 3.15Å; K794-S798 PolarHBondContact O-N 2.93Å; K794-S798 PolarHBondContact O-OG 2.68Å
795G70.4Confident66.4Low44 Ų4488.6 Ų88.645%0.45449%0.485SS..Hα-helixtrans-59.4-42.8176.100000112.7E791 S797 S798E791-G795 PolarHBondContact O-N 3.4Å; G795-S797 PolarHBondContact O-N 3.5Å; G795-S798 PolarHBondContact O-N 2.95Å
796I64.3Low64.3Low52 Ų5291.1 Ų91.127%0.26751%0.508SS..Hα-helixtrans-65.5-16.4175.7-72.4170.6000112.9R740 K743 E792 I793 K794R740-I796 HydrophobicContact CG-CG2 3.96Å; R740-I796 PolarHBondContact NH2-O 2.79Å; K743-I796 HydrophobicContact CD-CD1 4.2Å; E792-I796 WeakPolarHBondContact O-CB 3.42Å; E792-I796 VanDerWaalsContact O-CD1 3.29Å; E792-I796 WeakPolarHBondContact O-CD1 3.36Å; E792-I796 WeakPolarHBondContact O-CG1 3.39Å; E792-I796 PolarHBondContact O-N 3.4Å; I793-I796 PolarHBondContact O-N 2.65Å; K794-I796 VanDerWaalsContact C-N 3.34Å; K794-I796 PolarHBondContact O-N 3.33Å
797S54.1Low63Low76 Ų7694.1 Ų94.153%0.53152%0.521SS..Hα-helixtrans-97.7-31.1176-161.90000113.4I793 K794 G795 S799 S800I793-S797 PolarHBondContact O-N 3.4Å; K794-S797 PolarHBondContact O-N 3.15Å; G795-S797 PolarHBondContact O-N 3.5Å; S797-S799 VanDerWaalsContact C-N 3.35Å; S797-S799 PolarHBondContact O-N 3.1Å; S797-S800 PolarHBondContact O-N 2.86Å; S797-S800 PolarHBondContact O-OG 3.09Å
798S44.1Very low62.2Low71 Ų7194.3 Ų94.350%0.49753%0.525SS..Hα-helixtrans-65.9-34.7-179.5-64.60000113K794 G795 S800 S801K794-S798 PolarHBondContact O-N 2.93Å; K794-S798 PolarHBondContact O-OG 2.68Å; G795-S798 PolarHBondContact O-N 2.95Å; S798-S800 PolarHBondContact O-N 2.87Å; S798-S800 VanDerWaalsContact O-N 3.16Å; S798-S801 PolarHBondContact O-N 2.69Å; S798-S801 PolarHBondContact O-OG 2.71Å
799S40.1Very low61.4Low102 Ų10293.9 Ų93.971%0.71352%0.523SS*.THydrogen-bonded Turntrans-72-1.1179.465.40000114.9S797S797-S799 VanDerWaalsContact C-N 3.35Å; S797-S799 PolarHBondContact O-N 3.1Å
800S43.7Very low60.9Low66 Ų6695.5 Ų95.546%0.46254%0.54SS..THydrogen-bonded Turntrans-105.49.1175.836.80000114.3S797 S798S797-S800 PolarHBondContact O-N 2.86Å; S797-S800 PolarHBondContact O-OG 3.09Å; S798-S800 PolarHBondContact O-N 2.87Å; S798-S800 VanDerWaalsContact O-N 3.16Å
801S35.2Very low60.7Low91 Ų9198.1 Ų98.164%0.63655%0.553SS**THydrogen-bonded Turntrans-73.4-24.2-17754.10000114.8S798 L803S798-S801 PolarHBondContact O-N 2.69Å; S798-S801 PolarHBondContact O-OG 2.71Å; S801-L803 PolarHBondContact O-N 2.7Å
802L36.5Very low60.2Low164 Ų16492 Ų9286%0.85953%0.525SS*.THydrogen-bonded Turntrans-82.4-2.5-174.6-68174.7000115.4
803L38.2Very low60Low148 Ų14893.4 Ų93.478%0.77553%0.532SS*.  trans-126.580.5177.4-69.5176.7000111.6S801 T805S801-L803 PolarHBondContact O-N 2.7Å; L803-T805 VanDerWaalsContact C-N 3.35Å; L803-T805 PolarHBondContact O-N 2.9Å
804R39.2Very low60.1Low232 Ų23297.1 Ų97.188%0.87555%0.546SS*.  trans-67.189.3166-90-177.2150.6-161.3-6.2110.3
805T38.1Very low60.3Low128 Ų12892.7 Ų92.779%0.78553%0.528SS*.PPolyproline II helixtrans-62.7141.9162.152.40000109.6L803 K807L803-T805 VanDerWaalsContact C-N 3.35Å; L803-T805 PolarHBondContact O-N 2.9Å; T805-K807 PolarHBondContact O-N 2.74Å
806A46.9Very low61.2Low89 Ų8991.3 Ų91.374%0.73651%0.51SS*.PPolyproline II helixtrans-69.4119.7-176.600000110.9S808A806-S808 PolarHBondContact O-N 2.63Å
807K68.2Low62.2Low62 Ų6293.5 Ų93.527%0.2752%0.522SS..PPolyproline II helixtrans-50137.6167.5-65.6175.9-179.8171.90109.5T805 E815T805-K807 PolarHBondContact O-N 2.74Å; K807-E815 WeakPolarHBondContact CD-OE2 3.37Å; K807-E815 WeakPolarHBondContact CE-OE2 3.26Å; K807-E815 IonicContact NZ-OE1 2.71Å; K807-E815 PolarHBondContact NZ-OE1 3.44Å; K807-E815 IonicContact NZ-OE2 2.65Å; K807-E815 PolarHBondContact NZ-OE2 2.92Å
808S73.8Confident63.8Low66 Ų6693.4 Ų93.446%0.46252%0.515SS..PPolyproline II helixtrans-65.8158.5-176.7840000111.8A806 A810 Q811 A812A806-S808 PolarHBondContact O-N 2.63Å; S808-A810 VanDerWaalsContact C-N 3.26Å; S808-A810 PolarHBondContact O-N 3.19Å; S808-Q811 PolarHBondContact O-N 3.12Å; S808-Q811 VanDerWaalsContact O-N 3.08Å; S808-Q811 WeakPolarHBondContact OG-CB 3.45Å; S808-Q811 PolarHBondContact OG-N 2.87Å; S808-Q811 VanDerWaalsContact OG-N 3.17Å; S808-A812 PolarHBondContact O-N 3.05Å
809K77.9Confident65.8Low116 Ų11690.9 Ų90.950%0.50450%0.499SS..Hα-helixtrans-57-40.9-179-162.5172.8-173.3168.70112.2Q813 G851 I852K809-Q813 WeakPolarHBondContact O-CG 3.49Å; K809-Q813 PolarHBondContact O-N 3.03Å; K809-G851 VanDerWaalsContact CE-O 3.32Å; K809-G851 WeakPolarHBondContact CE-O 3.31Å; K809-G851 PolarHBondContact NZ-O 2.93Å; K809-I852 HydrophobicContact CD-CG1 4.21Å; K809-I852 HydrophobicContact CG-CD1 3.99Å; K809-I852 HydrophobicContact CG-CG1 3.47Å; K809-I852 VanDerWaalsContact CG-CG1 3.47Å; K809-I852 WeakPolarHBondContact O-CD1 3.49Å
810A78.4Confident68.2Low63 Ų6390.4 Ų90.452%0.52149%0.485SS..Hα-helixtrans-71.5-35.9176.400000113S808 Q813 K814S808-A810 VanDerWaalsContact C-N 3.26Å; S808-A810 PolarHBondContact O-N 3.19Å; A810-Q813 WeakPolarHBondContact O-CB 3.16Å; A810-Q813 PolarHBondContact O-N 2.95Å; A810-K814 PolarHBondContact O-N 3.15Å
811Q81.9Confident70.4Confident102 Ų10292.7 Ų92.748%0.47749%0.492SS..Hα-helixtrans-63.2-44.9177-175.4179.711.800111.4S808 Q813 K814 E815S808-Q811 PolarHBondContact O-N 3.12Å; S808-Q811 VanDerWaalsContact O-N 3.08Å; S808-Q811 WeakPolarHBondContact OG-CB 3.45Å; S808-Q811 PolarHBondContact OG-N 2.87Å; S808-Q811 VanDerWaalsContact OG-N 3.17Å; Q811-Q813 VanDerWaalsContact C-N 3.32Å; Q811-Q813 PolarHBondContact O-N 3.25Å; Q811-K814 PolarHBondContact O-N 3.08Å; Q811-E815 WeakPolarHBondContact O-CB 3.38Å; Q811-E815 PolarHBondContact O-N 3.28Å
812A80.5Confident72.9Confident5 Ų590.8 Ų90.84%0.04147%0.474CS..Hα-helixtrans-70.6-25.3177.200000113.2S808 L816 I852S808-A812 PolarHBondContact O-N 3.05Å; A812-L816 PolarHBondContact O-N 3.35Å; A812-I852 HydrophobicContact CB-CD1 3.48Å; A812-I852 VanDerWaalsContact CB-CD1 3.48Å
813Q81.1Confident75.3Confident91 Ų9184.3 Ų84.343%0.42544%0.441SS..Hα-helixtrans-67.3-45.7166.7-77.4174-49.600111.7K809 A810 Q811 L816 L817 I852K809-Q813 WeakPolarHBondContact O-CG 3.49Å; K809-Q813 PolarHBondContact O-N 3.03Å; A810-Q813 WeakPolarHBondContact O-CB 3.16Å; A810-Q813 PolarHBondContact O-N 2.95Å; Q811-Q813 VanDerWaalsContact C-N 3.32Å; Q811-Q813 PolarHBondContact O-N 3.25Å; Q813-L816 PolarHBondContact O-N 2.93Å; Q813-L817 WeakPolarHBondContact O-CG 3.42Å; Q813-L817 PolarHBondContact O-N 3.06Å; Q813-L817 VanDerWaalsContact O-N 3.11Å; Q813-I852 HydrophobicContact CG-CB 4.47Å; Q813-I852 HydrophobicContact CG-CD1 4.42Å; Q813-I852 HydrophobicContact CG-CG1 4.39Å; Q813-I852 HydrophobicContact CG-CG2 3.31Å
814K87.5Confident77.6Confident119 Ų11984.7 Ų84.752%0.51743%0.433SS..Hα-helixtrans-62.7-45177.6-165.6-166.3-178.6-57.10111.5A810 Q811 L816 L817 D818A810-K814 PolarHBondContact O-N 3.15Å; Q811-K814 PolarHBondContact O-N 3.08Å; K814-L816 VanDerWaalsContact C-N 3.27Å; K814-L816 PolarHBondContact O-N 3.41Å; K814-L817 PolarHBondContact O-N 3.37Å; K814-L817 VanDerWaalsContact O-N 3.13Å; K814-D818 IonicContact NZ-OD1 2.81Å; K814-D818 PolarHBondContact NZ-OD1 2.81Å; K814-D818 IonicContact NZ-OD2 3.16Å; K814-D818 PolarHBondContact NZ-OD2 2.75Å; K814-D818 WeakPolarHBondContact O-CB 3.49Å; K814-D818 PolarHBondContact O-N 3.19Å
815E87Confident79.9Confident59 Ų5980 Ų8028%0.27642%0.421SS..Hα-helixtrans-62.4-33.8-179.4-164.2172.6-177.500112.5K807 Q811 A819 L843K807-E815 WeakPolarHBondContact CD-OE2 3.37Å; K807-E815 WeakPolarHBondContact CE-OE2 3.26Å; K807-E815 IonicContact NZ-OE1 2.71Å; K807-E815 PolarHBondContact NZ-OE1 3.44Å; K807-E815 IonicContact NZ-OE2 2.65Å; K807-E815 PolarHBondContact NZ-OE2 2.92Å; Q811-E815 WeakPolarHBondContact O-CB 3.38Å; Q811-E815 PolarHBondContact O-N 3.28Å; E815-A819 VanDerWaalsContact O-CB 3.31Å; E815-A819 WeakPolarHBondContact O-CB 3.36Å; E815-A819 PolarHBondContact O-N 3.47Å; E815-A819 VanDerWaalsContact O-N 3.15Å; E815-L843 HydrophobicContact CB-CD2 4.49Å; E815-L843 HydrophobicContact CG-CD1 4.12Å; E815-L843 HydrophobicContact CG-CD2 3.77Å
816L88.3Confident82.2Confident16 Ų1676.5 Ų76.58%0.08440%0.395CS..Hα-helixtrans-69.6-43.5172.3-173151.3000112A812 Q813 K814 A819 E820 Y840 A847 L853A812-L816 PolarHBondContact O-N 3.35Å; Q813-L816 PolarHBondContact O-N 2.93Å; K814-L816 VanDerWaalsContact C-N 3.27Å; K814-L816 PolarHBondContact O-N 3.41Å; L816-A819 PolarHBondContact O-N 2.92Å; L816-E820 WeakPolarHBondContact O-CB 3.33Å; L816-E820 PolarHBondContact O-N 3.26Å; L816-Y840 HydrophobicContact CD2-CE2 3.84Å; L816-Y840 HydrophobicContact CG-CE2 3.92Å; L816-A847 HydrophobicContact CD1-CB 3.87Å; L816-L853 HydrophobicContact CD1-CD1 4.19Å; L816-L853 HydrophobicContact CD1-CD2 4.17Å
817L86.4Confident84Confident97 Ų9776.1 Ų76.151%0.50838%0.383SS..Hα-helixtrans-66.9-42.8176.9-70.2168.9000112.4Q813 K814 A819 E820 L821Q813-L817 WeakPolarHBondContact O-CG 3.42Å; Q813-L817 PolarHBondContact O-N 3.06Å; Q813-L817 VanDerWaalsContact O-N 3.11Å; K814-L817 PolarHBondContact O-N 3.37Å; K814-L817 VanDerWaalsContact O-N 3.13Å; L817-A819 VanDerWaalsContact C-N 3.27Å; L817-A819 PolarHBondContact O-N 3.42Å; L817-E820 PolarHBondContact O-N 3.11Å; L817-L821 WeakPolarHBondContact O-CG 3.26Å; L817-L821 PolarHBondContact O-N 3.41Å
818D87Confident84.5Confident74 Ų7479.9 Ų79.940%0.39640%0.402SS..Hα-helixtrans-60.3-39.3175.7-66.6-20000110.4K814 D822K814-D818 IonicContact NZ-OD1 2.81Å; K814-D818 PolarHBondContact NZ-OD1 2.81Å; K814-D818 IonicContact NZ-OD2 3.16Å; K814-D818 PolarHBondContact NZ-OD2 2.75Å; K814-D818 WeakPolarHBondContact O-CB 3.49Å; K814-D818 PolarHBondContact O-N 3.19Å; D818-D822 PolarHBondContact O-N 2.87Å
819A86.3Confident84.9Confident19 Ų1979.8 Ų79.816%0.15741%0.405CS..Hα-helixtrans-73.2-32175.500000113.7E815 L816 L817 L823 Y840 L843E815-A819 VanDerWaalsContact O-CB 3.31Å; E815-A819 WeakPolarHBondContact O-CB 3.36Å; E815-A819 PolarHBondContact O-N 3.47Å; E815-A819 VanDerWaalsContact O-N 3.15Å; L816-A819 PolarHBondContact O-N 2.92Å; L817-A819 VanDerWaalsContact C-N 3.27Å; L817-A819 PolarHBondContact O-N 3.42Å; A819-L823 VanDerWaalsContact O-CB 3.23Å; A819-L823 WeakPolarHBondContact O-CB 3.39Å; A819-L823 PolarHBondContact O-N 3.47Å; A819-Y840 HydrophobicContact CB-CD2 4.23Å; A819-L843 HydrophobicContact CB-CD1 3.69Å
820E90.8Very high84.8Confident91 Ų9177.6 Ų77.643%0.42542%0.415SS..Hα-helixtrans-66.9-40.8172.5-164.9173176.100110.9L816 L817 L823 Y824 Y840L816-E820 WeakPolarHBondContact O-CB 3.33Å; L816-E820 PolarHBondContact O-N 3.26Å; L817-E820 PolarHBondContact O-N 3.11Å; E820-L823 PolarHBondContact O-N 2.89Å; E820-Y824 WeakPolarHBondContact O-CB 3.3Å; E820-Y824 PolarHBondContact O-N 3.47Å; E820-Y840 HydrophobicContact CB-CD2 4.33Å; E820-Y840 HydrophobicContact CB-CE2 3.78Å; E820-Y840 HydrophobicContact CG-CE2 4.15Å
821L89.7Confident84.9Confident115 Ų11579.6 Ų79.660%0.60241%0.414SS*.Hα-helixtrans-66-46.7175.3-70.5171.4000112.2L817 L823 Y824 Q825L817-L821 WeakPolarHBondContact O-CG 3.26Å; L817-L821 PolarHBondContact O-N 3.41Å; L821-L823 VanDerWaalsContact C-N 3.31Å; L821-L823 PolarHBondContact O-N 3.43Å; L821-Y824 PolarHBondContact O-N 2.97Å; L821-Q825 WeakPolarHBondContact O-CB 3.36Å; L821-Q825 PolarHBondContact O-N 3.24Å
822D86.3Confident84.5Confident50 Ų5081.4 Ų81.427%0.26743%0.427SS..Hα-helixtrans-64.5-36.3176.1-169.137.3000111.6D818 Q825 K826 L836D818-D822 PolarHBondContact O-N 2.87Å; D822-Q825 PolarHBondContact O-N 3.17Å; D822-K826 WeakPolarHBondContact O-CB 3.36Å; D822-K826 WeakPolarHBondContact O-CG 3.39Å; D822-K826 PolarHBondContact O-N 2.7Å; D822-K826 IonicContact OD1-NZ 2.66Å; D822-K826 PolarHBondContact OD1-NZ 3.28Å; D822-K826 IonicContact OD2-NZ 2.65Å; D822-K826 PolarHBondContact OD2-NZ 2.9Å; D822-L836 VanDerWaalsContact C-CD1 3.49Å; D822-L836 HydrophobicContact CB-CD1 4.12Å; D822-L836 WeakPolarHBondContact O-CD1 3.32Å; D822-L836 VanDerWaalsContact OD2-CD1 3.27Å; D822-L836 WeakPolarHBondContact OD2-CD1 3.23Å; D822-L836 WeakPolarHBondContact OD2-CD2 3.44Å
823L88.5Confident84.9Confident29 Ų2982.1 Ų82.115%0.15243%0.431CS..Hα-helixtrans-62.4-45.1173.2177.261.3000111.3A819 E820 L821 T827 T833 L836 K837 Y840A819-L823 VanDerWaalsContact O-CB 3.23Å; A819-L823 WeakPolarHBondContact O-CB 3.39Å; A819-L823 PolarHBondContact O-N 3.47Å; E820-L823 PolarHBondContact O-N 2.89Å; L821-L823 VanDerWaalsContact C-N 3.31Å; L821-L823 PolarHBondContact O-N 3.43Å; L823-T827 VanDerWaalsContact O-CB 3.3Å; L823-T827 WeakPolarHBondContact O-CB 3.18Å; L823-T827 PolarHBondContact O-N 2.66Å; L823-T827 PolarHBondContact O-OG1 3.23Å; L823-T833 HydrophobicContact CD1-CG2 4.14Å; L823-L836 HydrophobicContact CB-CB 4.44Å; L823-L836 HydrophobicContact CB-CD1 4.43Å; L823-L836 HydrophobicContact CD1-CB 3.96Å; L823-K837 HydrophobicContact CD1-CG 3.87Å; L823-Y840 HydrophobicContact CD2-CD1 4.33Å; L823-Y840 HydrophobicContact CD2-CG 4.41Å
824Y84.9Confident84.7Confident155 Ų15579.1 Ų79.161%0.60842%0.422SS*.Hα-helixtrans-65.8-42.9177.8-159.6-113.5000111.5E820 L821 T827 Q828E820-Y824 WeakPolarHBondContact O-CB 3.3Å; E820-Y824 PolarHBondContact O-N 3.47Å; L821-Y824 PolarHBondContact O-N 2.97Å; Y824-T827 PolarHBondContact O-N 3.43Å; Y824-Q828 WeakPolarHBondContact O-CG 3.36Å; Y824-Q828 PolarHBondContact O-N 3.35Å
825Q89.1Confident84.2Confident135 Ų13577 Ų7763%0.63142%0.419SS*.Hα-helixtrans-62.1-49.1177.3-175.9172.6-11.100112L821 D822 T827 Q828 A829L821-Q825 WeakPolarHBondContact O-CB 3.36Å; L821-Q825 PolarHBondContact O-N 3.24Å; D822-Q825 PolarHBondContact O-N 3.17Å; Q825-T827 VanDerWaalsContact C-N 3.34Å; Q825-T827 PolarHBondContact O-N 3.38Å; Q825-Q828 PolarHBondContact O-N 2.73Å; Q825-A829 WeakPolarHBondContact O-CB 3.39Å; Q825-A829 PolarHBondContact O-N 2.99Å
826K86.1Confident83.8Confident53 Ų5375 Ų7523%0.2341%0.41CS..Hα-helixtrans-67.3-33176.3-70.7-156.9177.561.20113.2D822 Q828 A829 G830 E831 T833 L836D822-K826 WeakPolarHBondContact O-CB 3.36Å; D822-K826 WeakPolarHBondContact O-CG 3.39Å; D822-K826 PolarHBondContact O-N 2.7Å; D822-K826 IonicContact OD1-NZ 2.66Å; D822-K826 PolarHBondContact OD1-NZ 3.28Å; D822-K826 IonicContact OD2-NZ 2.65Å; D822-K826 PolarHBondContact OD2-NZ 2.9Å; K826-Q828 VanDerWaalsContact C-N 3.31Å; K826-Q828 PolarHBondContact O-N 2.73Å; K826-A829 PolarHBondContact O-N 3.34Å; K826-G830 PolarHBondContact O-N 2.95Å; K826-G830 VanDerWaalsContact O-N 3.1Å; K826-E831 HydrophobicContact CB-CB 4.03Å; K826-E831 HydrophobicContact CD-CB 4.17Å; K826-E831 WeakPolarHBondContact CD-OE2 3.49Å; K826-E831 WeakPolarHBondContact CE-OE2 3.33Å; K826-E831 HydrophobicContact CG-CB 4.25Å; K826-E831 WeakPolarHBondContact CG-OE2 3.4Å; K826-E831 PolarHBondContact O-N 3.14Å; K826-T833 HydrophobicContact CB-CG2 4.45Å; K826-L836 HydrophobicContact CB-CD1 3.97Å; K826-L836 HydrophobicContact CD-CD1 3.62Å; K826-L836 HydrophobicContact CD-CG 4.25Å; K826-L836 HydrophobicContact CG-CD1 3.85Å
827T83.9Confident83.4Confident81 Ų8179 Ų7950%0.49743%0.427SS..Hα-helixtrans-63-38.7172.3-55.50000111.3L823 Y824 Q825 T833L823-T827 VanDerWaalsContact O-CB 3.3Å; L823-T827 WeakPolarHBondContact O-CB 3.18Å; L823-T827 PolarHBondContact O-N 2.66Å; L823-T827 PolarHBondContact O-OG1 3.23Å; Y824-T827 PolarHBondContact O-N 3.43Å; Q825-T827 VanDerWaalsContact C-N 3.34Å; Q825-T827 PolarHBondContact O-N 3.38Å; T827-T833 WeakPolarHBondContact OG1-CG2 3.35Å
828Q79.6Confident83.1Confident141 Ų14177.4 Ų77.466%0.65941%0.414SS*.Hα-helixtrans-74.1-32.4174.9-71.6-173.3-2.200113.3Y824 Q825 K826 G830Y824-Q828 WeakPolarHBondContact O-CG 3.36Å; Y824-Q828 PolarHBondContact O-N 3.35Å; Q825-Q828 PolarHBondContact O-N 2.73Å; K826-Q828 VanDerWaalsContact C-N 3.31Å; K826-Q828 PolarHBondContact O-N 2.73Å; Q828-G830 PolarHBondContact O-N 2.8Å
829A81Confident82.6Confident65 Ų6579.8 Ų79.854%0.53742%0.42SS..Hα-helixtrans-73.4-11.8174.900000113.8Q825 K826 E831Q825-A829 WeakPolarHBondContact O-CB 3.39Å; Q825-A829 PolarHBondContact O-N 2.99Å; K826-A829 PolarHBondContact O-N 3.34Å; A829-E831 VanDerWaalsContact C-N 3.28Å; A829-E831 HydrophobicContact CB-CG 4Å
830G75.9Confident82.6Confident69 Ų6980.9 Ų80.971%0.71142%0.421SS*.THydrogen-bonded Turntrans74.216.2-17400000114K826 Q828K826-G830 PolarHBondContact O-N 2.95Å; K826-G830 VanDerWaalsContact O-N 3.1Å; Q828-G830 PolarHBondContact O-N 2.8Å
831E81.2Confident82.1Confident106 Ų10678.6 Ų78.650%0.49541%0.413SS..  trans-79.4165.3-179.4-71.7-178.1-164.700112.6K826 A829 T833K826-E831 HydrophobicContact CB-CB 4.03Å; K826-E831 HydrophobicContact CD-CB 4.17Å; K826-E831 WeakPolarHBondContact CD-OE2 3.49Å; K826-E831 WeakPolarHBondContact CE-OE2 3.33Å; K826-E831 HydrophobicContact CG-CB 4.25Å; K826-E831 WeakPolarHBondContact CG-OE2 3.4Å; K826-E831 PolarHBondContact O-N 3.14Å; A829-E831 VanDerWaalsContact C-N 3.28Å; A829-E831 HydrophobicContact CB-CG 4Å; E831-T833 PolarHBondContact O-N 2.87Å
832D74.3Confident81.7Confident140 Ų14077 Ų7775%0.74941%0.405SS*.  trans-75.783-169.6-148.2-20.9000113.4A834D832-A834 PolarHBondContact O-N 3.32Å
833T87.6Confident81.5Confident20 Ų2075.9 Ų75.912%0.12340%0.399CS..THydrogen-bonded Turntrans-60.4-9.6-17354.40000116.1L823 K826 T827 E831 T835 L836 K837L823-T833 HydrophobicContact CD1-CG2 4.14Å; K826-T833 HydrophobicContact CB-CG2 4.45Å; T827-T833 WeakPolarHBondContact OG1-CG2 3.35Å; E831-T833 PolarHBondContact O-N 2.87Å; T833-T835 VanDerWaalsContact C-N 3.31Å; T833-T835 PolarHBondContact O-N 2.88Å; T833-L836 PolarHBondContact O-N 3.18Å; T833-L836 VanDerWaalsContact O-N 3.15Å; T833-K837 WeakPolarHBondContact O-CG 3.34Å; T833-K837 PolarHBondContact O-N 3.43Å; T833-K837 WeakPolarHBondContact OG1-CE 3.41Å; T833-K837 PolarHBondContact OG1-NZ 3.11Å
834A78.3Confident81.1Confident28 Ų2878.3 Ų78.323%0.23141%0.409CS..Hα-helixtrans-58.8-37.5-173.500000113.6D832 R838D832-A834 PolarHBondContact O-N 3.32Å; A834-R838 PolarHBondContact O-N 3.45Å
835T75.8Confident80.8Confident74 Ų7472 Ų7245%0.45439%0.386SS..Hα-helixtrans-75.1-33.3178.262.90000112.6T833 K839T833-T835 VanDerWaalsContact C-N 3.31Å; T833-T835 PolarHBondContact O-N 2.88Å; T835-K839 WeakPolarHBondContact O-CG 3.37Å; T835-K839 PolarHBondContact O-N 3.2Å
836L79.3Confident80.2Confident16 Ų1667.9 Ų67.98%0.08437%0.367CS..Hα-helixtrans-72.5-37.2174.4-66.9-165.7000112.2D822 L823 K826 T833 R838 K839 Y840D822-L836 VanDerWaalsContact C-CD1 3.49Å; D822-L836 HydrophobicContact CB-CD1 4.12Å; D822-L836 WeakPolarHBondContact O-CD1 3.32Å; D822-L836 VanDerWaalsContact OD2-CD1 3.27Å; D822-L836 WeakPolarHBondContact OD2-CD1 3.23Å; D822-L836 WeakPolarHBondContact OD2-CD2 3.44Å; L823-L836 HydrophobicContact CB-CB 4.44Å; L823-L836 HydrophobicContact CB-CD1 4.43Å; L823-L836 HydrophobicContact CD1-CB 3.96Å; K826-L836 HydrophobicContact CB-CD1 3.97Å; K826-L836 HydrophobicContact CD-CD1 3.62Å; K826-L836 HydrophobicContact CD-CG 4.25Å; K826-L836 HydrophobicContact CG-CD1 3.85Å; T833-L836 PolarHBondContact O-N 3.18Å; T833-L836 VanDerWaalsContact O-N 3.15Å; L836-R838 VanDerWaalsContact C-N 3.34Å; L836-R838 PolarHBondContact O-N 2.85Å; L836-K839 HydrophobicContact CD2-CD 4.32Å; L836-K839 PolarHBondContact O-N 3.22Å; L836-Y840 VanDerWaalsContact O-CB 3.29Å; L836-Y840 WeakPolarHBondContact O-CB 3.49Å; L836-Y840 PolarHBondContact O-N 3.14Å
837K80.3Confident79.7Confident102 Ų10265.4 Ų65.444%0.44336%0.356SS..Hα-helixtrans-60.2-43.1173-73.2164175.7162.40111.4L823 T833 T841L823-K837 HydrophobicContact CD1-CG 3.87Å; T833-K837 WeakPolarHBondContact O-CG 3.34Å; T833-K837 PolarHBondContact O-N 3.43Å; T833-K837 WeakPolarHBondContact OG1-CE 3.41Å; T833-K837 PolarHBondContact OG1-NZ 3.11Å; K837-T841 WeakPolarHBondContact O-CB 3.5Å; K837-T841 WeakPolarHBondContact O-CG2 3.31Å; K837-T841 PolarHBondContact O-N 2.84Å; K837-T841 PolarHBondContact O-OG1 3.13Å
838R79.2Confident79.3Confident63 Ų6362.8 Ų62.824%0.23834%0.343CS..Hα-helixtrans-58.5-50170.4-80.4-173.1-94.6-175.7-16.2112.1A834 L836 T841 L842 E926A834-R838 PolarHBondContact O-N 3.45Å; L836-R838 VanDerWaalsContact C-N 3.34Å; L836-R838 PolarHBondContact O-N 2.85Å; R838-T841 PolarHBondContact O-OG1 3.47Å; R838-T841 VanDerWaalsContact O-OG1 3.05Å; R838-L842 WeakPolarHBondContact O-CB 3.48Å; R838-L842 WeakPolarHBondContact O-CG 3.49Å; R838-L842 PolarHBondContact O-N 3.07Å; R838-E926 IonicContact CZ-OE1 2.72Å; R838-E926 IonicContact NH1-OE1 2.7Å; R838-E926 PolarHBondContact NH1-OE1 2.79Å
839K77.4Confident79.1Confident123 Ų12361.1 Ų61.154%0.53533%0.333SS..Hα-helixtrans-63.5-45.4179.5-72.9172.1-178.2174.50113.3T835 L836 L842 L843T835-K839 WeakPolarHBondContact O-CG 3.37Å; T835-K839 PolarHBondContact O-N 3.2Å; L836-K839 HydrophobicContact CD2-CD 4.32Å; L836-K839 PolarHBondContact O-N 3.22Å; K839-L842 PolarHBondContact O-N 3.28Å; K839-L843 WeakPolarHBondContact O-CB 3.45Å; K839-L843 WeakPolarHBondContact O-CG 3.41Å; K839-L843 PolarHBondContact O-N 3.21Å
840Y85Confident78.6Confident42 Ų4261.8 Ų61.817%0.16532%0.322CS..Hα-helixtrans-63.5-43.5179.8179.3-107.5000111.6L816 A819 E820 L823 L836 L843 Q844L816-Y840 HydrophobicContact CD2-CE2 3.84Å; L816-Y840 HydrophobicContact CG-CE2 3.92Å; A819-Y840 HydrophobicContact CB-CD2 4.23Å; E820-Y840 HydrophobicContact CB-CD2 4.33Å; E820-Y840 HydrophobicContact CB-CE2 3.78Å; E820-Y840 HydrophobicContact CG-CE2 4.15Å; L823-Y840 HydrophobicContact CD2-CD1 4.33Å; L823-Y840 HydrophobicContact CD2-CG 4.41Å; L836-Y840 VanDerWaalsContact O-CB 3.29Å; L836-Y840 WeakPolarHBondContact O-CB 3.49Å; L836-Y840 PolarHBondContact O-N 3.14Å; Y840-L843 PolarHBondContact O-N 3.46Å; Y840-Q844 VanDerWaalsContact O-CB 3.32Å; Y840-Q844 WeakPolarHBondContact O-CB 3.35Å; Y840-Q844 PolarHBondContact O-N 3.17Å
841T81.7Confident78.2Confident44 Ų4460.7 Ų60.727%0.2731%0.311SS..Hα-helixtrans-67.4-37.8176.548.90000113K837 R838 Q844 I845K837-T841 WeakPolarHBondContact O-CB 3.5Å; K837-T841 WeakPolarHBondContact O-CG2 3.31Å; K837-T841 PolarHBondContact O-N 2.84Å; K837-T841 PolarHBondContact O-OG1 3.13Å; R838-T841 PolarHBondContact O-OG1 3.47Å; R838-T841 VanDerWaalsContact O-OG1 3.05Å; T841-Q844 WeakPolarHBondContact O-CB 3.42Å; T841-Q844 PolarHBondContact O-N 3.27Å; T841-I845 WeakPolarHBondContact O-CG1 3.42Å; T841-I845 PolarHBondContact O-N 2.94Å
842L79.9Confident77.8Confident80 Ų8056.8 Ų56.842%0.41929%0.293SS..Hα-helixtrans-61.4-45.7171.3-74.4167.4000112R838 K839 Q844 I845 E846R838-L842 WeakPolarHBondContact O-CB 3.48Å; R838-L842 WeakPolarHBondContact O-CG 3.49Å; R838-L842 PolarHBondContact O-N 3.07Å; K839-L842 PolarHBondContact O-N 3.28Å; L842-Q844 VanDerWaalsContact C-N 3.3Å; L842-Q844 PolarHBondContact O-N 3.08Å; L842-I845 PolarHBondContact O-N 3.38Å; L842-E846 PolarHBondContact O-N 2.94Å
843L83.1Confident77.1Confident27 Ų2752.8 Ų52.814%0.14127%0.271CS..Hα-helixtrans-64.1-34.5174.6-72.2168.7000112.2E815 A819 K839 Y840 E846 A847E815-L843 HydrophobicContact CB-CD2 4.49Å; E815-L843 HydrophobicContact CG-CD1 4.12Å; E815-L843 HydrophobicContact CG-CD2 3.77Å; A819-L843 HydrophobicContact CB-CD1 3.69Å; K839-L843 WeakPolarHBondContact O-CB 3.45Å; K839-L843 WeakPolarHBondContact O-CG 3.41Å; K839-L843 PolarHBondContact O-N 3.21Å; Y840-L843 PolarHBondContact O-N 3.46Å; L843-E846 PolarHBondContact O-N 3.4Å; L843-A847 WeakPolarHBondContact O-CB 3.25Å; L843-A847 PolarHBondContact O-N 3.17Å
844Q78.9Confident74.8Confident80 Ų8057 Ų5737%0.37430%0.301SS..Hα-helixtrans-64.2-40.8174.5-160.217925.200111.3Y840 T841 L842 A848 L853Y840-Q844 VanDerWaalsContact O-CB 3.32Å; Y840-Q844 WeakPolarHBondContact O-CB 3.35Å; Y840-Q844 PolarHBondContact O-N 3.17Å; T841-Q844 WeakPolarHBondContact O-CB 3.42Å; T841-Q844 PolarHBondContact O-N 3.27Å; L842-Q844 VanDerWaalsContact C-N 3.3Å; L842-Q844 PolarHBondContact O-N 3.08Å; Q844-A848 WeakPolarHBondContact O-CB 3.22Å; Q844-A848 PolarHBondContact O-N 2.97Å; Q844-L853 HydrophobicContact CB-CD1 4.3Å; Q844-L853 HydrophobicContact CG-CD1 3.38Å; Q844-L853 VanDerWaalsContact O-CD1 3.28Å; Q844-L853 WeakPolarHBondContact O-CD1 3.3Å
845I78.8Confident72.9Confident23 Ų2360.2 Ų60.212%0.11832%0.32CS..Hα-helixtrans-69.2-45.3174.5-67.3166.1000110.7T841 L842 A847 A848 K849 L910 I919 E920 C922T841-I845 WeakPolarHBondContact O-CG1 3.42Å; T841-I845 PolarHBondContact O-N 2.94Å; L842-I845 PolarHBondContact O-N 3.38Å; I845-A847 VanDerWaalsContact C-N 3.27Å; I845-A847 PolarHBondContact O-N 3.12Å; I845-A848 PolarHBondContact O-N 3.27Å; I845-K849 WeakPolarHBondContact O-CB 3.48Å; I845-K849 PolarHBondContact O-N 2.94Å; I845-L910 HydrophobicContact CD1-CD1 4.34Å; I845-L910 HydrophobicContact CD1-CD2 4.13Å; I845-I919 HydrophobicContact CD1-CG2 4Å; I845-E920 WeakPolarHBondContact CG2-O 3.4Å; I845-C922 WeakPolarHBondContact CD1-SG 3.06Å
846E76.6Confident71.1Confident48 Ų4860.1 Ų60.122%0.22433%0.333CS..Hα-helixtrans-59.8-37.4175.9-159.3-173.2160.400111.6L842 L843 R850L842-E846 PolarHBondContact O-N 2.94Å; L843-E846 PolarHBondContact O-N 3.4Å; E846-R850 VanDerWaalsContact CD-NH1 3.26Å; E846-R850 WeakPolarHBondContact O-CG 3.47Å; E846-R850 PolarHBondContact O-N 3.38Å; E846-R850 VanDerWaalsContact O-N 3.14Å; E846-R850 IonicContact OE1-CZ 2.68Å; E846-R850 IonicContact OE1-NH1 3.02Å; E846-R850 PolarHBondContact OE1-NH1 3.41Å; E846-R850 IonicContact OE1-NH2 2.76Å; E846-R850 PolarHBondContact OE1-NH2 3.38Å
847A76.6Confident69.3Low1 Ų171.1 Ų71.11%0.00837%0.374CS..Hα-helixtrans-72.6-40.1174.900000112.8L816 L843 I845 K849 R850 G851 I852 L853L816-A847 HydrophobicContact CD1-CB 3.87Å; L843-A847 WeakPolarHBondContact O-CB 3.25Å; L843-A847 PolarHBondContact O-N 3.17Å; I845-A847 VanDerWaalsContact C-N 3.27Å; I845-A847 PolarHBondContact O-N 3.12Å; A847-K849 VanDerWaalsContact C-N 3.34Å; A847-R850 CarbonylContact O-C 3.51Å; A847-R850 PolarHBondContact O-N 3.28Å; A847-G851 PolarHBondContact O-N 2.72Å; A847-I852 HydrophobicContact CB-CB 4.02Å; A847-I852 HydrophobicContact CB-CD1 4.3Å; A847-I852 HydrophobicContact CB-CG2 4.12Å; A847-I852 VanDerWaalsContact O-CB 3.31Å; A847-I852 WeakPolarHBondContact O-CB 3.43Å; A847-I852 PolarHBondContact O-N 2.96Å; A847-L853 HydrophobicContact CB-CD1 4.1Å; A847-L853 HydrophobicContact CB-CG 3.91Å
848A74.9Confident67Low27 Ų2769.5 Ų69.522%0.22339%0.387CS..Hα-helixtrans-61.5-42.9173.200000111.4Q844 I845 R850 G851Q844-A848 WeakPolarHBondContact O-CB 3.22Å; Q844-A848 PolarHBondContact O-N 2.97Å; I845-A848 PolarHBondContact O-N 3.27Å; A848-R850 VanDerWaalsContact C-N 3.29Å; A848-R850 PolarHBondContact O-N 3.02Å; A848-G851 PolarHBondContact O-N 2.7Å
849K74.7Confident64.9Low105 Ų10579 Ų7946%0.45742%0.422SS..Hα-helixtrans-61.6-33.1175.2-167.7173.1-168.3146.30112.9I845 A847 G851 E920 D921I845-K849 WeakPolarHBondContact O-CB 3.48Å; I845-K849 PolarHBondContact O-N 2.94Å; A847-K849 VanDerWaalsContact C-N 3.34Å; K849-G851 VanDerWaalsContact C-N 3.31Å; K849-G851 PolarHBondContact O-N 3.38Å; K849-E920 HydrophobicContact CG-CG 4.41Å; K849-D921 IonicContact NZ-OD1 3.74Å; K849-D921 PolarHBondContact NZ-OD1 2.65Å; K849-D921 IonicContact NZ-OD2 3.61Å
850R71.6Confident62.6Low80 Ų8076.5 Ų76.530%0.30243%0.432SS..THydrogen-bonded Turntrans-82.14.4171.7-72.7-172.3-179.5109.314.8114.8E846 A847 A848 I852E846-R850 VanDerWaalsContact CD-NH1 3.26Å; E846-R850 WeakPolarHBondContact O-CG 3.47Å; E846-R850 PolarHBondContact O-N 3.38Å; E846-R850 VanDerWaalsContact O-N 3.14Å; E846-R850 IonicContact OE1-CZ 2.68Å; E846-R850 IonicContact OE1-NH1 3.02Å; E846-R850 PolarHBondContact OE1-NH1 3.41Å; E846-R850 IonicContact OE1-NH2 2.76Å; E846-R850 PolarHBondContact OE1-NH2 3.38Å; A847-R850 CarbonylContact O-C 3.51Å; A847-R850 PolarHBondContact O-N 3.28Å; A848-R850 VanDerWaalsContact C-N 3.29Å; A848-R850 PolarHBondContact O-N 3.02Å; R850-I852 HydrophobicContact CB-CD1 3.78Å; R850-I852 HydrophobicContact CB-CG1 3.98Å; R850-I852 PolarHBondContact O-N 3.18Å
851G67.9Low60Low46 Ų4681.2 Ų81.247%0.47447%0.465SS..THydrogen-bonded Turntrans58.331-175.400000113.1K809 A847 A848 K849K809-G851 VanDerWaalsContact CE-O 3.32Å; K809-G851 WeakPolarHBondContact CE-O 3.31Å; K809-G851 PolarHBondContact NZ-O 2.93Å; A847-G851 PolarHBondContact O-N 2.72Å; A848-G851 PolarHBondContact O-N 2.7Å; K849-G851 VanDerWaalsContact C-N 3.31Å; K849-G851 PolarHBondContact O-N 3.38Å
852I72.3Confident57.7Low23 Ų2387.3 Ų87.312%0.11849%0.49CS..  trans-81.2-45.9173.5-71.8166.4000109.7K809 A812 Q813 A847 R850K809-I852 HydrophobicContact CD-CG1 4.21Å; K809-I852 HydrophobicContact CG-CD1 3.99Å; K809-I852 HydrophobicContact CG-CG1 3.47Å; K809-I852 VanDerWaalsContact CG-CG1 3.47Å; K809-I852 WeakPolarHBondContact O-CD1 3.49Å; A812-I852 HydrophobicContact CB-CD1 3.48Å; A812-I852 VanDerWaalsContact CB-CD1 3.48Å; Q813-I852 HydrophobicContact CG-CB 4.47Å; Q813-I852 HydrophobicContact CG-CD1 4.42Å; Q813-I852 HydrophobicContact CG-CG1 4.39Å; Q813-I852 HydrophobicContact CG-CG2 3.31Å; A847-I852 HydrophobicContact CB-CB 4.02Å; A847-I852 HydrophobicContact CB-CD1 4.3Å; A847-I852 HydrophobicContact CB-CG2 4.12Å; A847-I852 VanDerWaalsContact O-CB 3.31Å; A847-I852 WeakPolarHBondContact O-CB 3.43Å; A847-I852 PolarHBondContact O-N 2.96Å; R850-I852 HydrophobicContact CB-CD1 3.78Å; R850-I852 HydrophobicContact CB-CG1 3.98Å; R850-I852 PolarHBondContact O-N 3.18Å
853L58.4Low55.2Low57 Ų5789.5 Ų89.530%0.29851%0.512SS..SBendtrans-86.8123.1175-55.2-178.5000109L816 Q844 A847L816-L853 HydrophobicContact CD1-CD1 4.19Å; L816-L853 HydrophobicContact CD1-CD2 4.17Å; Q844-L853 HydrophobicContact CB-CD1 4.3Å; Q844-L853 HydrophobicContact CG-CD1 3.38Å; Q844-L853 VanDerWaalsContact O-CD1 3.28Å; Q844-L853 WeakPolarHBondContact O-CD1 3.3Å; A847-L853 HydrophobicContact CB-CD1 4.1Å; A847-L853 HydrophobicContact CB-CG 3.91Å
854S40.2Very low52.7Low107 Ų107100.6 Ų100.675%0.74855%0.552SS**PPolyproline II helixtrans-61.4137.6167.2-65.40000109.6G856S854-G856 PolarHBondContact O-N 2.8Å
855P39.3Very low50.3Low97 Ų97100.8 Ų100.863%0.6358%0.576SS**PPolyproline II helixtrans-51.6116.3175.8-29.136.3000111.5R857P855-R857 VanDerWaalsContact C-N 3.31Å; P855-R857 PolarHBondContact O-N 3.37Å
856G37.9Very low48.2Very low71 Ų71112.3 Ų112.373%0.73262%0.618SS**  trans-77.169-159.800000114.2S854 G858S854-G856 PolarHBondContact O-N 2.8Å; G856-G858 PolarHBondContact O-N 3.16Å
857R41.5Very low46.1Very low247 Ų247113.3 Ų113.393%0.93264%0.641SS**  trans-55.6126.2172.3-155.9178.4-165.2-145.31.8109.6P855P855-R857 VanDerWaalsContact C-N 3.31Å; P855-R857 PolarHBondContact O-N 3.37Å
858G31.8Very low43.9Very low69 Ų69118.1 Ų118.171%0.71167%0.67SS**  trans-55.5158.6-164.400000116.9G856G856-G858 PolarHBondContact O-N 3.16Å
859R34.3Very low42Very low261 Ų261122.6 Ų122.699%0.98570%0.695SS**  trans-43.8131.2-172.6-69.8-179.3169.9-152.1-2.5114.7
860G30.1Very low40.1Very low72 Ų72129 Ų12974%0.74272%0.716SS**  trans-152.7118.1160.500000109.7
861V29.1Very low38.1Very low140 Ų140131.3 Ų131.385%0.84874%0.744SS**  trans-79.6154.7-174.7179.10000111.1
862H33.4Very low36.5Very low172 Ų172141.5 Ų141.580%0.79677%0.768SS**  trans-60.8150.2-156.5-42.5-77.4000117.3
863S27.3Very low34.6Very low127 Ų127144.1 Ų144.189%0.88880%0.801SS**  trans-151.8153.8142.5-88.40000111.9
864R31.2Very low33.6Very low259 Ų259153.7 Ų153.798%0.97783%0.833SS**  trans-75.8143.8-169.1-62.7166.9171.1150.4-6.6112.6
865G29.3Very low33.3Very low85 Ų85152.2 Ų152.288%0.87684%0.835SS**  trans173.1122.5164.600000115.5
866R34.7Very low33Very low264 Ų264153.5 Ų153.5100%0.99685%0.846SS**  trans-115.7121.7174.4-168.9-173.5-162.5-130.811.5108.2
867G31.4Very low33.2Very low69 Ų69162.5 Ų162.571%0.71186%0.858SS**  trans-167.396.2-173.200000117.2
868T31.3Very low33.1Very low103 Ų103153.8 Ų153.863%0.63284%0.844SS**  trans31.5102.5144.335.70000122.7
869V34.1Very low33.4Very low121 Ų121162.3 Ų162.373%0.73386%0.855SS**  39.6113.7106.1-178.20000119.6
870R34.9Very low33.6Very low239 Ų239153.4 Ų153.490%0.90284%0.844SS**  trans41115.9142.2-55.6174.1-175.9-178.61.3119.8
871S30.3Very low34.1Very low128 Ų128161.7 Ų161.790%0.89585%0.853SS**  trans-96.6134.8148.6-83.90000112.3
872R33.4Very low34.4Very low261 Ų261158.4 Ų158.499%0.98585%0.848SS**  trans-100.999169.2-104.4-177.1172158.7-2.4110
873G33.1Very low35Very low77 Ų77155.7 Ų155.779%0.79484%0.843SS**  trans-104.1134.7163.300000110.5
874R36.2Very low35.7Very low259 Ų259154.4 Ų154.498%0.97783%0.831SS**  trans-84.2151.4170.9-83-171.6175-162.54.7110.4
875G34.7Very low36.4Very low76 Ų76149.1 Ų149.178%0.78482%0.822SS**  trans97.657.6145.500000117.3
876S33.8Very low37.2Very low123 Ų123153.1 Ų153.186%0.8682%0.817SS**  trans-140.9118.5152.4-77.30000110.2
877R41.2Very low38.2Very low261 Ų261144.6 Ų144.699%0.98580%0.803SS**  trans-81.8113.3167.4-72.8174.2172.1153.7-6.7107.1
878G40.2Very low39.5Very low63 Ų63146.6 Ų146.665%0.64980%0.801SS**SBendtrans161.3126.8175.700000111.7
879R38.7Very low40.9Very low249 Ų249146.8 Ų146.894%0.9480%0.802SS**  trans48.766.6176.4-57.7-177.7-172.2-108.30.1113.8R881R879-R881 PolarHBondContact O-N 3.23Å
880G36.5Very low42.3Very low73 Ų73144.4 Ų144.475%0.75379%0.785SS**  trans-53133.7145.900000107.9G882G880-G882 PolarHBondContact O-N 3.48Å
881R41.6Very low44Very low247 Ų247141.1 Ų141.193%0.93278%0.78SS**  trans-57.3126.7171.8-73.1-175.2174.9-138.5-1.2107.2R879 V883R879-R881 PolarHBondContact O-N 3.23Å; R881-V883 PolarHBondContact O-N 3.48Å
882G36.3Very low46.2Very low71 Ų71142.1 Ų142.173%0.73276%0.764SS**  trans-59.5111.5176.800000109.3G880G880-G882 PolarHBondContact O-N 3.48Å
883V44.3Very low48.7Very low114 Ų114131.3 Ų131.369%0.69173%0.727SS**  trans-58.1130.8147.1179.10000105.2R881 L885R881-V883 PolarHBondContact O-N 3.48Å; V883-L885 VanDerWaalsContact C-N 3.27Å; V883-L885 WeakPolarHBondContact O-CD1 3.31Å; V883-L885 PolarHBondContact O-N 2.97Å
884P42.4Very low51.3Low100 Ų100132 Ų13265%0.64971%0.706SS**  trans-64.888.5173.5-23.235.5000110.7H886 A887P884-H886 PolarHBondContact O-N 3.4Å; P884-A887 PolarHBondContact O-N 2.59Å; P884-A887 VanDerWaalsContact O-N 3.11Å
885L46.3Very low53.9Low148 Ų148120 Ų12078%0.77566%0.663SS**THydrogen-bonded Turntrans-58.8131153.4-76.578.9000105.5V883V883-L885 VanDerWaalsContact C-N 3.27Å; V883-L885 WeakPolarHBondContact O-CD1 3.31Å; V883-L885 PolarHBondContact O-N 2.97Å
886H47.1Very low56.5Low170 Ų170116.5 Ų116.579%0.78763%0.626SS**THydrogen-bonded Turntrans73.142.1-163.3-45.2-72.6000115.4P884 V888P884-H886 PolarHBondContact O-N 3.4Å; H886-V888 HydrophobicContact CB-CG2 4.15Å; H886-V888 PolarHBondContact O-N 2.81Å
887A54.6Low59.2Low85 Ų85114.2 Ų114.270%0.70260%0.602SS**  trans-64.272138.600000109.5P884P884-A887 PolarHBondContact O-N 2.59Å; P884-A887 VanDerWaalsContact O-N 3.11Å
888V58.9Low61.6Low110 Ų110101.8 Ų101.867%0.66756%0.555SS**  trans-67.1131.8169.51760000107.2H886 D890H886-V888 HydrophobicContact CB-CG2 4.15Å; H886-V888 PolarHBondContact O-N 2.81Å; V888-D890 PolarHBondContact O-N 2.89Å
889V61.6Low63.8Low107 Ų107100 Ų10065%0.64853%0.533SS*.  trans-68.3104.1171.3-178.60000107H891V889-H891 PolarHBondContact O-CD2 3.1Å; V889-H891 PolarHBondContact O-N 2.67Å
890D63.3Low65.8Low72 Ų7290.4 Ų90.439%0.38551%0.511SS..  trans-79.3104.8178.8-163.3-15.5000109.6V888 R892V888-D890 PolarHBondContact O-N 2.89Å; D890-R892 PolarHBondContact O-N 3.21Å; D890-R892 WeakPolarHBondContact OD1-CB 3.28Å; D890-R892 VanDerWaalsContact OD1-CD 3.24Å; D890-R892 WeakPolarHBondContact OD1-CD 3.48Å; D890-R892 WeakPolarHBondContact OD1-CG 3.45Å; D890-R892 PolarHBondContact OD1-N 3.21Å; D890-R892 IonicContact OD1-NE 3.2Å
891H70Confident68Low169 Ų16987.1 Ų87.178%0.78248%0.476SS*.  trans-80.44.9178.3-64.6-85.1000113.3V889V889-H891 PolarHBondContact O-CD2 3.1Å; V889-H891 PolarHBondContact O-N 2.67Å
892R77.3Confident69.8Low149 Ų14978.3 Ų78.356%0.56245%0.45SS*.SBendtrans-66.8147.1173.1-67.6167.1-173.4-165.8-0.2110.8D890 R894 R938 E942D890-R892 PolarHBondContact O-N 3.21Å; D890-R892 WeakPolarHBondContact OD1-CB 3.28Å; D890-R892 VanDerWaalsContact OD1-CD 3.24Å; D890-R892 WeakPolarHBondContact OD1-CD 3.48Å; D890-R892 WeakPolarHBondContact OD1-CG 3.45Å; D890-R892 PolarHBondContact OD1-N 3.21Å; D890-R892 IonicContact OD1-NE 3.2Å; R892-R894 PolarHBondContact O-N 2.64Å; R892-R938 HydrophobicContact CB-CG 4.5Å; R892-E942 IonicContact NH1-OE1 2.82Å
893P85Confident71.7Confident34 Ų3479.2 Ų79.222%0.22144%0.438CS..  trans-57.9135-179.122.7-33.1000111.3R938 W960 H961P893-R938 WeakPolarHBondContact O-CD 3.28Å; P893-R938 PolarHBondContact O-NH1 3.07Å; P893-W960 HydrophobicContact CB-CE3 4.44Å; P893-W960 HydrophobicContact CG-CB 3.96Å; P893-W960 HydrophobicContact CG-CD2 4.43Å; P893-W960 HydrophobicContact CG-CE3 4.1Å; P893-W960 HydrophobicContact CG-CG 4.41Å; P893-W960 VanDerWaalsContact O-CZ3 3.28Å; P893-W960 WeakPolarHBondContact O-CZ3 3.44Å; P893-H961 WeakPolarHBondContact CB-O 3.23Å
894R88.6Confident73.1Confident91 Ų9177.5 Ų77.534%0.34344%0.436SS..  trans-97.710.3174.4-72.6169.548.5-145.6-17.2112.6R892 E920 T934 Y935 K936 R938R892-R894 PolarHBondContact O-N 2.64Å; R894-E920 IonicContact CZ-OE2 2.66Å; R894-E920 IonicContact NH2-OE2 2.72Å; R894-E920 PolarHBondContact NH2-OE2 3.49Å; R894-T934 WeakPolarHBondContact O-CA 3.32Å; R894-Y935 VanDerWaalsContact CZ-O 3.31Å; R894-Y935 PolarHBondContact NE-O 2.91Å; R894-Y935 PolarHBondContact NH2-O 2.9Å; R894-Y935 PolarHBondContact O-N 2.8Å; R894-K936 PolarHBondContact NH2-O 3.42Å; R894-R938 HydrophobicContact CG-CB 4.08Å
895A89.9Confident74.7Confident9 Ų973.4 Ų73.47%0.07441%0.408CS..EExtended strand (participates in β ladder)trans-115.2138.7-177.100000110.9V932 V933 T934 H961A895-V932 HydrophobicContact CB-CG1 4.23Å; A895-V933 CarbonylContact C-O 3.59Å; A895-V933 WeakPolarHBondContact CA-O 3.4Å; A895-T934 HydrophobicContact CB-CG2 3.65Å; A895-H961 HydrophobicContact CB-CB 3.86Å; A895-H961 PolarHBondContact O-N 3.18Å
896L89.8Confident75.9Confident2 Ų266.5 Ų66.51%0.0137%0.372CS..EExtended strand (participates in β ladder)trans-115.7127.4173-70.1173.8000109.1V932 V933 Y935 A944 A945 L958 A959 W960L896-V932 CarbonylContact O-C 3.58Å; L896-V932 VanDerWaalsContact O-CA 3.31Å; L896-V932 WeakPolarHBondContact O-CA 3.42Å; L896-V933 PolarHBondContact N-O 3.11Å; L896-V933 PolarHBondContact O-N 2.99Å; L896-Y935 HydrophobicContact CD1-CE2 4.23Å; L896-A944 HydrophobicContact CD1-CB 3.71Å; L896-A945 HydrophobicContact CD1-CB 4.1Å; L896-A945 HydrophobicContact CD2-CB 3.97Å; L896-L958 HydrophobicContact CD1-CD2 4.42Å; L896-A959 CarbonylContact C-O 3.56Å; L896-A959 WeakPolarHBondContact CA-O 3.31Å; L896-W960 HydrophobicContact CD2-CD2 3.71Å; L896-W960 HydrophobicContact CD2-CE3 3.51Å; L896-W960 HydrophobicContact CD2-CG 4.43Å; L896-W960 HydrophobicContact CD2-CH2 3.9Å; L896-W960 HydrophobicContact CD2-CZ2 4.08Å; L896-W960 HydrophobicContact CD2-CZ3 3.6Å; L896-W960 HydrophobicContact CG-CE3 4.29Å; L896-W960 HydrophobicContact CG-CH2 4.48Å; L896-W960 HydrophobicContact CG-CZ3 4.06Å
897E90.8Very high77.3Confident75 Ų7560.8 Ų60.835%0.3535%0.35SS..EExtended strand (participates in β ladder)trans-85.5124162.8176.6178.8-164.800107.5V932 L958 A959 H961E897-V932 HydrophobicContact CB-CG2 4.41Å; E897-L958 CarbonylContact O-C 3.55Å; E897-L958 WeakPolarHBondContact O-CA 3.32Å; E897-A959 HydrophobicContact CB-CB 4.37Å; E897-A959 PolarHBondContact N-O 3.27Å; E897-A959 PolarHBondContact O-N 3.27Å; E897-H961 HydrophobicContact CB-CB 4.06Å
898I90.8Very high78.6Confident0 Ų060.8 Ų60.80%034%0.338CS..EExtended strand (participates in β ladder)trans-111.4133.1179.7-56.5151000106.1F901 L909 F913 S930 A931 V933 L956 L958I898-F901 HydrophobicContact CG2-CD1 4.09Å; I898-F901 HydrophobicContact CG2-CE1 4.28Å; I898-F901 WeakPolarHBondContact O-CE1 3.47Å; I898-L909 HydrophobicContact CG2-CD1 4.24Å; I898-F913 HydrophobicContact CD1-CD1 4Å; I898-F913 HydrophobicContact CD1-CD2 3.68Å; I898-F913 HydrophobicContact CD1-CE1 3.88Å; I898-F913 HydrophobicContact CD1-CE2 3.57Å; I898-F913 HydrophobicContact CD1-CG 3.91Å; I898-F913 HydrophobicContact CD1-CZ 3.67Å; I898-F913 HydrophobicContact CG1-CE1 4.13Å; I898-F913 HydrophobicContact CG1-CE2 4.07Å; I898-F913 HydrophobicContact CG1-CZ 3.78Å; I898-F913 HydrophobicContact CG2-CE2 3.94Å; I898-F913 HydrophobicContact CG2-CZ 4.01Å; I898-S930 CarbonylContact O-C 3.56Å; I898-S930 VanDerWaalsContact O-CA 3.24Å; I898-S930 WeakPolarHBondContact O-CA 3.43Å; I898-A931 PolarHBondContact N-O 3.39Å; I898-A931 PolarHBondContact O-N 3.26Å; I898-V933 HydrophobicContact CD1-CB 4.01Å; I898-V933 HydrophobicContact CD1-CG2 3.59Å; I898-L956 HydrophobicContact CG2-CB 4.21Å; I898-L956 HydrophobicContact CG2-CD1 3.87Å; I898-L956 HydrophobicContact CG2-CG 4.49Å; I898-L958 HydrophobicContact CG1-CG 4.33Å; I898-L958 HydrophobicContact CG2-CD1 4.36Å
899S86.8Confident79.7Confident26 Ų2655.8 Ų55.818%0.18231%0.307CS..EExtended strand (participates in β ladder)trans-141.7154.2-179.855.70000111.5R957S899-R957 PolarHBondContact N-O 3.06Å; S899-R957 PolarHBondContact O-N 2.92Å; S899-R957 WeakPolarHBondContact OG-CB 3.31Å; S899-R957 PolarHBondContact OG-O 3.11Å
900G80.3Confident80.7Confident47 Ų4751.9 Ų51.949%0.48528%0.282SS..  trans85.234.9179.500000114.8L929 L956G900-L929 PolarHBondContact N-O 3.21Å; G900-L956 WeakPolarHBondContact O-CD2 3.19Å
901F82.6Confident81.8Confident3 Ų351.7 Ų51.71%0.01329%0.285CS..  trans-101.4159.8162.852.1-95.1000110I898 D905 C906 L909 L929 A931 L956I898-F901 HydrophobicContact CG2-CD1 4.09Å; I898-F901 HydrophobicContact CG2-CE1 4.28Å; I898-F901 WeakPolarHBondContact O-CE1 3.47Å; F901-D905 HydrophobicContact CB-CB 3.93Å; F901-C906 WeakPolarHBondContact CE2-SG 3.42Å; F901-L909 HydrophobicContact CB-CD1 4.16Å; F901-L909 HydrophobicContact CD1-CD1 4.01Å; F901-L909 HydrophobicContact CD1-CD2 3.62Å; F901-L909 HydrophobicContact CD1-CG 4.49Å; F901-L909 HydrophobicContact CD2-CD2 4.28Å; F901-L909 HydrophobicContact CE1-CD2 3.56Å; F901-L909 HydrophobicContact CE2-CD2 4.24Å; F901-L909 HydrophobicContact CG-CD1 4.17Å; F901-L909 HydrophobicContact CG-CD2 3.99Å; F901-L909 HydrophobicContact CZ-CD2 3.88Å; F901-L929 WeakPolarHBondContact CE1-O 3.48Å; F901-L929 VanDerWaalsContact CZ-C 3.4Å; F901-A931 HydrophobicContact CE1-CB 3.8Å; F901-A931 HydrophobicContact CZ-CB 3.75Å; F901-L956 HydrophobicContact CB-CD2 3.81Å
902T79.7Confident82.4Confident62 Ų6244.8 Ų44.838%0.3825%0.253SS..  trans-87.8167.117272.90000112.2A904 D905 C906T902-A904 PolarHBondContact O-N 3.43Å; T902-D905 WeakPolarHBondContact CB-OD2 3.4Å; T902-D905 WeakPolarHBondContact CG2-OD2 3.47Å; T902-D905 PolarHBondContact N-OD2 3.2Å; T902-D905 VanDerWaalsContact N-OD2 3.11Å; T902-D905 WeakPolarHBondContact O-CB 3.35Å; T902-D905 PolarHBondContact O-N 3.39Å; T902-D905 VanDerWaalsContact OG1-CG 3.24Å; T902-D905 PolarHBondContact OG1-N 3.1Å; T902-D905 PolarHBondContact OG1-OD2 3.04Å; T902-C906 PolarHBondContact O-N 2.71Å
903D74.7Confident82.8Confident90 Ų9037.7 Ų37.748%0.48123%0.226SC..THydrogen-bonded Turntrans-64.4-28.4178.2-173.247000113.4C906D903-C906 VanDerWaalsContact O-CB 3.27Å; D903-C906 WeakPolarHBondContact O-CB 3.35Å; D903-C906 PolarHBondContact O-N 3.26Å
904A74.6Confident82.9Confident79 Ų7938.6 Ų38.665%0.65324%0.237SC*.THydrogen-bonded Turntrans-67.4-41.4170.800000111.5T902 C906 V907T902-A904 PolarHBondContact O-N 3.43Å; A904-C906 PolarHBondContact O-N 3.23Å; A904-V907 PolarHBondContact O-N 3.48Å
905D76.9Confident82.7Confident13 Ų1341.1 Ų41.17%0.0725%0.253CS..THydrogen-bonded Turntrans-64-25.9179-70.4-50.7000112.8F901 T902 V907 D908 L909 F951 N952 Q954F901-D905 HydrophobicContact CB-CB 3.93Å; T902-D905 WeakPolarHBondContact CB-OD2 3.4Å; T902-D905 WeakPolarHBondContact CG2-OD2 3.47Å; T902-D905 PolarHBondContact N-OD2 3.2Å; T902-D905 VanDerWaalsContact N-OD2 3.11Å; T902-D905 WeakPolarHBondContact O-CB 3.35Å; T902-D905 PolarHBondContact O-N 3.39Å; T902-D905 VanDerWaalsContact OG1-CG 3.24Å; T902-D905 PolarHBondContact OG1-N 3.1Å; T902-D905 PolarHBondContact OG1-OD2 3.04Å; D905-V907 PolarHBondContact O-N 3.41Å; D905-D908 PolarHBondContact O-N 3.17Å; D905-D908 VanDerWaalsContact O-N 3.09Å; D905-L909 WeakPolarHBondContact O-CB 3.34Å; D905-L909 PolarHBondContact O-N 3.22Å; D905-F951 HydrophobicContact CB-CE1 3.61Å; D905-F951 HydrophobicContact CB-CZ 4.32Å; D905-F951 WeakPolarHBondContact OD1-CE1 3.28Å; D905-N952 PolarHBondContact OD1-ND2 3.31Å; D905-Q954 PolarHBondContact OD2-NE2 3.38Å; D905-Q954 VanDerWaalsContact OD2-NE2 3.17Å
906C70.4Confident82.3Confident3 Ų342.5 Ų42.52%0.0226%0.257CS..Hα-helixtrans-46.9-36175.9-69.80000113.9F901 T902 D903 A904F901-C906 WeakPolarHBondContact CE2-SG 3.42Å; T902-C906 PolarHBondContact O-N 2.71Å; D903-C906 VanDerWaalsContact O-CB 3.27Å; D903-C906 WeakPolarHBondContact O-CB 3.35Å; D903-C906 PolarHBondContact O-N 3.26Å; A904-C906 PolarHBondContact O-N 3.23Å
907V77.4Confident82Confident51 Ų5143.2 Ų43.231%0.30927%0.265SS..Hα-helixtrans-74.1-39-175.5-178.10000111.7A904 D905 P911A904-V907 PolarHBondContact O-N 3.48Å; D905-V907 PolarHBondContact O-N 3.41Å; V907-P911 WeakPolarHBondContact O-CD 3.45Å
908D81.1Confident81.6Confident85 Ų8544 Ų4446%0.45527%0.268SS..Hα-helixtrans-91.3-16.9-179-74.9-24.8000112.9D905 L910 P911 H912 F951D905-D908 PolarHBondContact O-N 3.17Å; D905-D908 VanDerWaalsContact O-N 3.09Å; D908-L910 PolarHBondContact O-N 2.84Å; D908-P911 WeakPolarHBondContact O-CD 3.16Å; D908-H912 WeakPolarHBondContact O-CB 3.39Å; D908-H912 PolarHBondContact O-N 3.02Å; D908-F951 HydrophobicContact CB-CE2 4.15Å; D908-F951 HydrophobicContact CB-CZ 3.74Å
909L82.4Confident81.5Confident4 Ų444.8 Ų44.82%0.02127%0.272CS..Hα-helixtrans-54.1-51.3175.9-163.575.2000111.6I898 F901 D905 H912 F913 A931 L956I898-L909 HydrophobicContact CG2-CD1 4.24Å; F901-L909 HydrophobicContact CB-CD1 4.16Å; F901-L909 HydrophobicContact CD1-CD1 4.01Å; F901-L909 HydrophobicContact CD1-CD2 3.62Å; F901-L909 HydrophobicContact CD1-CG 4.49Å; F901-L909 HydrophobicContact CD2-CD2 4.28Å; F901-L909 HydrophobicContact CE1-CD2 3.56Å; F901-L909 HydrophobicContact CE2-CD2 4.24Å; F901-L909 HydrophobicContact CG-CD1 4.17Å; F901-L909 HydrophobicContact CG-CD2 3.99Å; F901-L909 HydrophobicContact CZ-CD2 3.88Å; D905-L909 WeakPolarHBondContact O-CB 3.34Å; D905-L909 PolarHBondContact O-N 3.22Å; L909-H912 WeakPolarHBondContact O-CB 3.38Å; L909-H912 PolarHBondContact O-N 2.79Å; L909-F913 HydrophobicContact CD1-CD2 4.11Å; L909-F913 HydrophobicContact CD1-CE2 3.77Å; L909-F913 HydrophobicContact CG-CD2 4.02Å; L909-F913 HydrophobicContact CG-CE2 4.16Å; L909-F913 VanDerWaalsContact O-CD2 3.3Å; L909-F913 WeakPolarHBondContact O-CD2 3.39Å; L909-F913 PolarHBondContact O-N 3.15Å; L909-A931 HydrophobicContact CD2-CB 3.83Å; L909-L956 HydrophobicContact CD1-CD1 3.65Å
910L82.4Confident81.3Confident25 Ų2546.4 Ų46.413%0.13128%0.277CS..Hα-helixtrans-67.2-45.8-177.9-171.570.9000112.5I845 D908 H912 F913 A914 I919 C922I845-L910 HydrophobicContact CD1-CD1 4.34Å; I845-L910 HydrophobicContact CD1-CD2 4.13Å; D908-L910 PolarHBondContact O-N 2.84Å; L910-H912 VanDerWaalsContact C-N 3.29Å; L910-H912 PolarHBondContact O-N 2.68Å; L910-F913 PolarHBondContact O-N 2.94Å; L910-A914 WeakPolarHBondContact O-CB 3.43Å; L910-A914 PolarHBondContact O-N 3.05Å; L910-I919 HydrophobicContact CD1-CD1 3.55Å; L910-I919 HydrophobicContact CG-CD1 4.49Å; L910-C922 HydrophobicContact CD1-CB 3.9Å
911P85.2Confident81.3Confident69 Ų6946 Ų4645%0.44826%0.264SS..Hα-helixtrans-53.5-37.6167.6-29.734.9000115.2V907 D908 Q915V907-P911 WeakPolarHBondContact O-CD 3.45Å; D908-P911 WeakPolarHBondContact O-CD 3.16Å; P911-Q915 WeakPolarHBondContact O-CG 3.44Å
912H84.1Confident81.3Confident23 Ų2346.3 Ų46.311%0.10627%0.266CS..Hα-helixtrans-68.9-51.9176.1171.1-117.5000111.9D908 L909 L910 A914 Q915 F916 R950 F951D908-H912 WeakPolarHBondContact O-CB 3.39Å; D908-H912 PolarHBondContact O-N 3.02Å; L909-H912 WeakPolarHBondContact O-CB 3.38Å; L909-H912 PolarHBondContact O-N 2.79Å; L910-H912 VanDerWaalsContact C-N 3.29Å; L910-H912 PolarHBondContact O-N 2.68Å; H912-A914 PolarHBondContact O-N 3.02Å; H912-Q915 VanDerWaalsContact O-CB 3.31Å; H912-Q915 WeakPolarHBondContact O-CB 3.37Å; H912-Q915 PolarHBondContact O-N 3.41Å; H912-F916 AromaticContact CD2-CE2 3.81Å; H912-F916 AromaticContact CE1-CE2 3.7Å; H912-F916 AromaticContact NE2-CE2 3.51Å; H912-F916 AromaticContact NE2-CZ 3.6Å; H912-F916 WeakPolarHBondContact O-CE2 3.38Å; H912-R950 PolarHBondContact CE1-O 3.15Å; H912-R950 PolarHBondContact NE2-O 2.77Å; H912-F951 HydrophobicContact CB-CD2 3.63Å; H912-F951 HydrophobicContact CB-CE2 3.59Å; H912-F951 AromaticContact CD2-CD2 3.99Å; H912-F951 AromaticContact CE1-CD2 3.85Å; H912-F951 AromaticContact CG-CD2 3.46Å; H912-F951 VanDerWaalsContact CG-CD2 3.46Å; H912-F951 AromaticContact CG-CE2 3.98Å; H912-F951 AromaticContact ND1-CD2 3.4Å; H912-F951 WeakPolarHBondContact ND1-CD2 3.39Å
913F85.6Confident81.3Confident0 Ų048.5 Ų48.50%027%0.272CS..Hα-helixtrans-66-24.5-178.6-83.8-77.6000113.1I898 L909 L910 Q915 F916 I919 Y935 A944 G948 L956 L958I898-F913 HydrophobicContact CD1-CD1 4Å; I898-F913 HydrophobicContact CD1-CD2 3.68Å; I898-F913 HydrophobicContact CD1-CE1 3.88Å; I898-F913 HydrophobicContact CD1-CE2 3.57Å; I898-F913 HydrophobicContact CD1-CG 3.91Å; I898-F913 HydrophobicContact CD1-CZ 3.67Å; I898-F913 HydrophobicContact CG1-CE1 4.13Å; I898-F913 HydrophobicContact CG1-CE2 4.07Å; I898-F913 HydrophobicContact CG1-CZ 3.78Å; I898-F913 HydrophobicContact CG2-CE2 3.94Å; I898-F913 HydrophobicContact CG2-CZ 4.01Å; L909-F913 HydrophobicContact CD1-CD2 4.11Å; L909-F913 HydrophobicContact CD1-CE2 3.77Å; L909-F913 HydrophobicContact CG-CD2 4.02Å; L909-F913 HydrophobicContact CG-CE2 4.16Å; L909-F913 VanDerWaalsContact O-CD2 3.3Å; L909-F913 WeakPolarHBondContact O-CD2 3.39Å; L909-F913 PolarHBondContact O-N 3.15Å; L910-F913 PolarHBondContact O-N 2.94Å; F913-Q915 PolarHBondContact O-N 3.27Å; F913-F916 PolarHBondContact O-N 3.17Å; F913-I919 HydrophobicContact CB-CD1 4.35Å; F913-Y935 WeakPolarHBondContact CB-OH 3.41Å; F913-Y935 WeakPolarHBondContact CD1-OH 3.47Å; F913-Y935 PolarHBondContact O-OH 3.24Å; F913-A944 HydrophobicContact CD1-CB 4.29Å; F913-G948 VanDerWaalsContact CZ-O 3.26Å; F913-G948 WeakPolarHBondContact CZ-O 3.32Å; F913-L956 HydrophobicContact CE2-CD1 3.7Å; F913-L956 HydrophobicContact CZ-CD1 3.99Å; F913-L958 HydrophobicContact CE1-CD2 3.91Å; F913-L958 HydrophobicContact CZ-CD1 4.26Å; F913-L958 HydrophobicContact CZ-CD2 4.12Å; F913-L958 HydrophobicContact CZ-CG 4.36Å
914A86.6Confident81.6Confident54 Ų5446.5 Ų46.545%0.44626%0.261SS..THydrogen-bonded Turntrans-69.3-13170.700000114.7L910 H912 F916 I919L910-A914 WeakPolarHBondContact O-CB 3.43Å; L910-A914 PolarHBondContact O-N 3.05Å; H912-A914 PolarHBondContact O-N 3.02Å; A914-F916 VanDerWaalsContact C-N 3.34Å; A914-I919 HydrophobicContact CB-CD1 4.22Å
915Q83.6Confident81.8Confident144 Ų14446.2 Ų46.267%0.67325%0.249SC*.THydrogen-bonded Turntrans-75.4-24176-62.1174.834.700112.6P911 H912 F913P911-Q915 WeakPolarHBondContact O-CG 3.44Å; H912-Q915 VanDerWaalsContact O-CB 3.31Å; H912-Q915 WeakPolarHBondContact O-CB 3.37Å; H912-Q915 PolarHBondContact O-N 3.41Å; F913-Q915 PolarHBondContact O-N 3.27Å
916F83.2Confident81.6Confident38 Ų3850.3 Ų50.317%0.16727%0.267CS..SBendtrans-97.7-3.8-176.4-48.7-65.6000113.8H912 F913 A914 A944 H947H912-F916 AromaticContact CD2-CE2 3.81Å; H912-F916 AromaticContact CE1-CE2 3.7Å; H912-F916 AromaticContact NE2-CE2 3.51Å; H912-F916 AromaticContact NE2-CZ 3.6Å; H912-F916 WeakPolarHBondContact O-CE2 3.38Å; F913-F916 PolarHBondContact O-N 3.17Å; A914-F916 VanDerWaalsContact C-N 3.34Å; F916-A944 HydrophobicContact CB-CB 3.89Å; F916-H947 HydrophobicContact CD1-CB 3.75Å; F916-H947 HydrophobicContact CE1-CB 3.43Å; F916-H947 VanDerWaalsContact CE1-CB 3.43Å; F916-H947 HydrophobicContact CZ-CB 4Å
917G83.6Confident81.3Confident16 Ų1658.1 Ų58.117%0.16531%0.309CS..SBendtrans167.7170.9177.300000115I919G917-I919 PolarHBondContact O-N 2.89Å
918E82.6Confident80.8Confident92 Ų9262.7 Ų62.743%0.4333%0.325SS..  trans-81.2115.3176.4-67.6-167.9-162.500110.2K936 E940E918-K936 HydrophobicContact CB-CB 4.33Å; E918-K936 HydrophobicContact CB-CD 3.65Å; E918-K936 HydrophobicContact CB-CG 4.12Å; E918-K936 WeakPolarHBondContact O-CG 3.48Å; E918-K936 PolarHBondContact O-N 2.62Å; E918-K936 WeakPolarHBondContact OE2-CD 3.5Å; E918-K936 WeakPolarHBondContact OE2-CE 3.41Å; E918-K936 IonicContact OE2-NZ 3Å; E918-K936 PolarHBondContact OE2-NZ 3.11Å; E918-E940 PolarHBondContact N-OE2 3.48Å
919I87Confident80.8Confident17 Ų1762.1 Ų62.19%0.08732%0.321CS..EExtended strand (participates in β ladder)trans-73.8136.8177.9-61.6175.2000109.9I845 L910 F913 A914 G917 D921 C922 V933 T934 Y935I845-I919 HydrophobicContact CD1-CG2 4Å; L910-I919 HydrophobicContact CD1-CD1 3.55Å; L910-I919 HydrophobicContact CG-CD1 4.49Å; F913-I919 HydrophobicContact CB-CD1 4.35Å; A914-I919 HydrophobicContact CB-CD1 4.22Å; G917-I919 PolarHBondContact O-N 2.89Å; I919-D921 WeakPolarHBondContact CG2-O 3.24Å; I919-C922 HydrophobicContact CG2-CB 4.33Å; I919-V933 HydrophobicContact CD1-CG1 3.69Å; I919-V933 HydrophobicContact CG1-CG1 3.79Å; I919-V933 HydrophobicContact CG2-CG1 4.04Å; I919-T934 CarbonylContact C-O 3.52Å; I919-T934 WeakPolarHBondContact CA-O 2.97Å; I919-Y935 HydrophobicContact CG1-CD1 4.28Å; I919-Y935 HydrophobicContact CG1-CE1 3.85Å
920E83.3Confident80.8Confident59 Ų5962.5 Ų62.528%0.27632%0.324SS..EExtended strand (participates in β ladder)trans-105.1-27.8177.3-170.8-179.5137.600112.7I845 K849 R894 T934 K936I845-E920 WeakPolarHBondContact CG2-O 3.4Å; K849-E920 HydrophobicContact CG-CG 4.41Å; R894-E920 IonicContact CZ-OE2 2.66Å; R894-E920 IonicContact NH2-OE2 2.72Å; R894-E920 PolarHBondContact NH2-OE2 3.49Å; E920-T934 PolarHBondContact N-O 3.31Å; E920-K936 HydrophobicContact CB-CG 3.98Å
921D79.6Confident81Confident38 Ų3861.4 Ų61.420%0.20332%0.318CS..EExtended strand (participates in β ladder)trans-157.9141.9178.4-151.268.2000108.3K849 I919 Q923 T934K849-D921 IonicContact NZ-OD1 3.74Å; K849-D921 PolarHBondContact NZ-OD1 2.65Å; K849-D921 IonicContact NZ-OD2 3.61Å; I919-D921 WeakPolarHBondContact CG2-O 3.24Å; D921-Q923 PolarHBondContact OD2-NE2 2.81Å; D921-T934 HydrophobicContact CB-CG2 4.04Å; D921-T934 WeakPolarHBondContact CB-OG1 3.38Å; D921-T934 PolarHBondContact N-OG1 3Å; D921-T934 VanDerWaalsContact N-OG1 3.14Å; D921-T934 PolarHBondContact O-N 3.41Å; D921-T934 PolarHBondContact O-OG1 3.26Å
922C83.1Confident81.2Confident10 Ų1059.1 Ų59.17%0.06830%0.303CS..EExtended strand (participates in β ladder)trans-136.8138.8166.361.40000110.7I845 L910 I919 V932 V933I845-C922 WeakPolarHBondContact CD1-SG 3.06Å; L910-C922 HydrophobicContact CD1-CB 3.9Å; I919-C922 HydrophobicContact CG2-CB 4.33Å; C922-V932 CarbonylContact C-O 3.56Å; C922-V932 WeakPolarHBondContact CA-O 3.32Å; C922-V933 HydrophobicContact CB-CG2 4.18Å
923Q79.9Confident81.5Confident109 Ų10958.2 Ų58.251%0.50930%0.299SS..EExtended strand (participates in β ladder)trans-131.8119.8-178-57.8176.923.400106.7D921 A931 V932D921-Q923 PolarHBondContact OD2-NE2 2.81Å; Q923-A931 CarbonylContact O-C 3.59Å; Q923-A931 VanDerWaalsContact O-CA 3.31Å; Q923-A931 WeakPolarHBondContact O-CA 3.45Å; Q923-V932 HydrophobicContact CB-CB 4.48Å; Q923-V932 PolarHBondContact N-O 2.97Å; Q923-V932 PolarHBondContact O-N 3.47Å
924I81.7Confident81.7Confident48 Ų4859.4 Ų59.425%0.24631%0.307CS..EExtended strand (participates in β ladder)trans-114.8109.5-174.8-56.8176.2000107.7E926 A931I924-E926 HydrophobicContact CG2-CG 4.04Å; I924-E926 PolarHBondContact O-N 3.4Å; I924-E926 VanDerWaalsContact O-N 3.16Å; I924-A931 HydrophobicContact CG1-CB 4.08Å; I924-A931 HydrophobicContact CG2-CB 4.5Å
925D78.6Confident81.9Confident73 Ų7356.9 Ų56.939%0.3929%0.286SS..EExtended strand (participates in β ladder)trans-82.783.7171.7-82-1.2000108N927 K928 L929 S930D925-N927 PolarHBondContact O-N 3.22Å; D925-N927 VanDerWaalsContact O-N 3.13Å; D925-K928 HydrophobicContact CB-CB 4.06Å; D925-K928 HydrophobicContact CB-CD 4.25Å; D925-K928 HydrophobicContact CB-CG 4.32Å; D925-K928 PolarHBondContact O-N 2.77Å; D925-K928 WeakPolarHBondContact OD2-CD 3.14Å; D925-K928 WeakPolarHBondContact OD2-CE 3.41Å; D925-K928 IonicContact OD2-NZ 3.88Å; D925-K928 PolarHBondContact OD2-NZ 3Å; D925-L929 PolarHBondContact O-N 3.21Å; D925-S930 WeakPolarHBondContact CB-O 3.31Å; D925-S930 PolarHBondContact N-O 3.38Å
926E73.2Confident82Confident98 Ų9853.2 Ų53.246%0.45827%0.268SS..THydrogen-bonded Turntrans-52.6-34.9178.6-62.5-178.8161.400111.2R838 I924 K928R838-E926 IonicContact CZ-OE1 2.72Å; R838-E926 IonicContact NH1-OE1 2.7Å; R838-E926 PolarHBondContact NH1-OE1 2.79Å; I924-E926 HydrophobicContact CG2-CG 4.04Å; I924-E926 PolarHBondContact O-N 3.4Å; I924-E926 VanDerWaalsContact O-N 3.16Å; E926-K928 VanDerWaalsContact C-N 3.29Å; E926-K928 PolarHBondContact O-N 2.97Å
927N63.5Low82.1Confident168 Ų16854.2 Ų54.290%0.89828%0.277SS*.THydrogen-bonded Turntrans-67.7-16.4176.6-66.227.4000115.6D925D925-N927 PolarHBondContact O-N 3.22Å; D925-N927 VanDerWaalsContact O-N 3.13Å
928K67.2Low82.2Confident147 Ų14755 Ų5564%0.63928%0.275SS*.THydrogen-bonded Turntrans-119.9-7.4-174.8-68-177.3-166148.30114D925 E926 S930D925-K928 HydrophobicContact CB-CB 4.06Å; D925-K928 HydrophobicContact CB-CD 4.25Å; D925-K928 HydrophobicContact CB-CG 4.32Å; D925-K928 PolarHBondContact O-N 2.77Å; D925-K928 WeakPolarHBondContact OD2-CD 3.14Å; D925-K928 WeakPolarHBondContact OD2-CE 3.41Å; D925-K928 IonicContact OD2-NZ 3.88Å; D925-K928 PolarHBondContact OD2-NZ 3Å; E926-K928 VanDerWaalsContact C-N 3.29Å; E926-K928 PolarHBondContact O-N 2.97Å; K928-S930 VanDerWaalsContact CB-OG 3.28Å; K928-S930 WeakPolarHBondContact CB-OG 3.31Å; K928-S930 PolarHBondContact O-N 3.05Å
929L79.8Confident82.4Confident72 Ų7253.3 Ų53.338%0.37728%0.276SS..THydrogen-bonded Turntrans53.540.8-168.3-55.1175.4000112G900 F901 D925G900-L929 PolarHBondContact N-O 3.21Å; F901-L929 WeakPolarHBondContact CE1-O 3.48Å; F901-L929 VanDerWaalsContact CZ-C 3.4Å; D925-L929 PolarHBondContact O-N 3.21Å
930S83.6Confident82.5Confident13 Ų1354.3 Ų54.39%0.09128%0.281CS..EExtended strand (participates in β ladder)trans-128.2134177.759.70000111.2I898 D925 K928I898-S930 CarbonylContact O-C 3.56Å; I898-S930 VanDerWaalsContact O-CA 3.24Å; I898-S930 WeakPolarHBondContact O-CA 3.43Å; D925-S930 WeakPolarHBondContact CB-O 3.31Å; D925-S930 PolarHBondContact N-O 3.38Å; K928-S930 VanDerWaalsContact CB-OG 3.28Å; K928-S930 WeakPolarHBondContact CB-OG 3.31Å; K928-S930 PolarHBondContact O-N 3.05Å
931A85.9Confident82.8Confident1 Ų151.5 Ų51.51%0.00827%0.268CS..EExtended strand (participates in β ladder)trans-129.2125.6179.600000110.9I898 F901 L909 Q923 I924I898-A931 PolarHBondContact N-O 3.39Å; I898-A931 PolarHBondContact O-N 3.26Å; F901-A931 HydrophobicContact CE1-CB 3.8Å; F901-A931 HydrophobicContact CZ-CB 3.75Å; L909-A931 HydrophobicContact CD2-CB 3.83Å; Q923-A931 CarbonylContact O-C 3.59Å; Q923-A931 VanDerWaalsContact O-CA 3.31Å; Q923-A931 WeakPolarHBondContact O-CA 3.45Å; I924-A931 HydrophobicContact CG1-CB 4.08Å; I924-A931 HydrophobicContact CG2-CB 4.5Å
932V90.5Very high83.3Confident21 Ų2152.8 Ų52.813%0.12727%0.272CS..EExtended strand (participates in β ladder)trans-95113.1173.6-179.60000109A895 L896 E897 C922 Q923 T934 H961A895-V932 HydrophobicContact CB-CG1 4.23Å; L896-V932 CarbonylContact O-C 3.58Å; L896-V932 VanDerWaalsContact O-CA 3.31Å; L896-V932 WeakPolarHBondContact O-CA 3.42Å; E897-V932 HydrophobicContact CB-CG2 4.41Å; C922-V932 CarbonylContact C-O 3.56Å; C922-V932 WeakPolarHBondContact CA-O 3.32Å; Q923-V932 HydrophobicContact CB-CB 4.48Å; Q923-V932 PolarHBondContact N-O 2.97Å; Q923-V932 PolarHBondContact O-N 3.47Å; V932-T934 HydrophobicContact CG1-CG2 4.39Å; V932-H961 HydrophobicContact CG1-CB 3.99Å
933V90Very high83.5Confident5 Ų557.2 Ų57.23%0.0329%0.292CS..EExtended strand (participates in β ladder)trans-111.1128177.7175.10000109.4A895 L896 I898 I919 C922 Y935A895-V933 CarbonylContact C-O 3.59Å; A895-V933 WeakPolarHBondContact CA-O 3.4Å; L896-V933 PolarHBondContact N-O 3.11Å; L896-V933 PolarHBondContact O-N 2.99Å; I898-V933 HydrophobicContact CD1-CB 4.01Å; I898-V933 HydrophobicContact CD1-CG2 3.59Å; I919-V933 HydrophobicContact CD1-CG1 3.69Å; I919-V933 HydrophobicContact CG1-CG1 3.79Å; I919-V933 HydrophobicContact CG2-CG1 4.04Å; C922-V933 HydrophobicContact CB-CG2 4.18Å; V933-Y935 HydrophobicContact CG1-CD2 4.3Å; V933-Y935 HydrophobicContact CG1-CE2 3.67Å
934T89.8Confident84Confident25 Ų2552 Ų5215%0.15327%0.268CS..EExtended strand (participates in β ladder)trans-114.6139.5179.985.40000111.1R894 A895 I919 E920 D921 V932R894-T934 WeakPolarHBondContact O-CA 3.32Å; A895-T934 HydrophobicContact CB-CG2 3.65Å; I919-T934 CarbonylContact C-O 3.52Å; I919-T934 WeakPolarHBondContact CA-O 2.97Å; E920-T934 PolarHBondContact N-O 3.31Å; D921-T934 HydrophobicContact CB-CG2 4.04Å; D921-T934 WeakPolarHBondContact CB-OG1 3.38Å; D921-T934 PolarHBondContact N-OG1 3Å; D921-T934 VanDerWaalsContact N-OG1 3.14Å; D921-T934 PolarHBondContact O-N 3.41Å; D921-T934 PolarHBondContact O-OG1 3.26Å; V932-T934 HydrophobicContact CG1-CG2 4.39Å
935Y90.4Very high84.3Confident0 Ų050.8 Ų50.80%027%0.265CS..EExtended strand (participates in β ladder)trans-114.4146.8-172.6-74.1-87.6000113.1R894 L896 F913 I919 V933 T937 E940 A941 A944R894-Y935 VanDerWaalsContact CZ-O 3.31Å; R894-Y935 PolarHBondContact NE-O 2.91Å; R894-Y935 PolarHBondContact NH2-O 2.9Å; R894-Y935 PolarHBondContact O-N 2.8Å; L896-Y935 HydrophobicContact CD1-CE2 4.23Å; F913-Y935 WeakPolarHBondContact CB-OH 3.41Å; F913-Y935 WeakPolarHBondContact CD1-OH 3.47Å; F913-Y935 PolarHBondContact O-OH 3.24Å; I919-Y935 HydrophobicContact CG1-CD1 4.28Å; I919-Y935 HydrophobicContact CG1-CE1 3.85Å; V933-Y935 HydrophobicContact CG1-CD2 4.3Å; V933-Y935 HydrophobicContact CG1-CE2 3.67Å; Y935-T937 PolarHBondContact O-N 3.45Å; Y935-E940 HydrophobicContact CD1-CB 4.02Å; Y935-E940 HydrophobicContact CG-CB 4.33Å; Y935-A941 HydrophobicContact CD2-CB 3.91Å; Y935-A941 HydrophobicContact CG-CB 4.24Å; Y935-A944 HydrophobicContact CD2-CB 4.41Å; Y935-A944 HydrophobicContact CE1-CB 4.28Å; Y935-A944 HydrophobicContact CE2-CB 3.54Å; Y935-A944 VanDerWaalsContact CZ-CB 3.45Å; Y935-A944 VanDerWaalsContact OH-CB 3.28Å; Y935-A944 WeakPolarHBondContact OH-CB 3.35Å
936K85.5Confident84.6Confident68 Ų6853.7 Ų53.730%0.29628%0.279SS..SBendtrans-61.1-27.4-180-70.1-175.7-160.4172.20113.9R894 E918 E920R894-K936 PolarHBondContact NH2-O 3.42Å; E918-K936 HydrophobicContact CB-CB 4.33Å; E918-K936 HydrophobicContact CB-CD 3.65Å; E918-K936 HydrophobicContact CB-CG 4.12Å; E918-K936 WeakPolarHBondContact O-CG 3.48Å; E918-K936 PolarHBondContact O-N 2.62Å; E918-K936 WeakPolarHBondContact OE2-CD 3.5Å; E918-K936 WeakPolarHBondContact OE2-CE 3.41Å; E918-K936 IonicContact OE2-NZ 3Å; E918-K936 PolarHBondContact OE2-NZ 3.11Å; E920-K936 HydrophobicContact CB-CG 3.98Å
937T85.7Confident85Confident59 Ų5954.7 Ų54.736%0.36228%0.284SS..SBendtrans-129.2156167.676.80000113.2Y935 A939 E940 A941Y935-T937 PolarHBondContact O-N 3.45Å; T937-A939 VanDerWaalsContact C-N 3.28Å; T937-A939 PolarHBondContact O-N 3.01Å; T937-E940 VanDerWaalsContact CB-OE1 3.31Å; T937-E940 WeakPolarHBondContact CB-OE1 3.39Å; T937-E940 WeakPolarHBondContact CG2-OE1 3.5Å; T937-E940 PolarHBondContact O-N 3.26Å; T937-E940 WeakPolarHBondContact OG1-CG 3.46Å; T937-E940 PolarHBondContact OG1-N 2.89Å; T937-E940 PolarHBondContact OG1-OE1 2.89Å; T937-A941 PolarHBondContact O-N 3.18Å; T937-A941 VanDerWaalsContact O-N 3.16Å
938R86.3Confident85.9Confident33 Ų3346.7 Ų46.713%0.12524%0.241CC..Hα-helixtrans-65.5-31.2173.7173.663.1-169.2-176.813.6112.1R892 P893 R894 A941 E942 W960R892-R938 HydrophobicContact CB-CG 4.5Å; P893-R938 WeakPolarHBondContact O-CD 3.28Å; P893-R938 PolarHBondContact O-NH1 3.07Å; R894-R938 HydrophobicContact CG-CB 4.08Å; R938-A941 PolarHBondContact O-N 2.96Å; R938-E942 IonicContact CZ-OE1 2.81Å; R938-E942 IonicContact NE-OE1 2.62Å; R938-E942 PolarHBondContact NE-OE1 2.96Å; R938-E942 IonicContact NH2-OE1 2.63Å; R938-E942 PolarHBondContact NH2-OE1 2.75Å; R938-E942 WeakPolarHBondContact O-CG 3.3Å; R938-E942 PolarHBondContact O-N 3.34Å; R938-W960 VanDerWaalsContact CZ-CH2 3.42Å; R938-W960 VanDerWaalsContact NH2-CZ2 3.32Å
939A85.8Confident86.8Confident55 Ų5542.2 Ų42.246%0.45523%0.226SC..Hα-helixtrans-68.5-40.317800000112.1T937 E942 Q943T937-A939 VanDerWaalsContact C-N 3.28Å; T937-A939 PolarHBondContact O-N 3.01Å; A939-E942 PolarHBondContact O-N 2.96Å; A939-Q943 WeakPolarHBondContact O-CG 3.3Å; A939-Q943 PolarHBondContact O-N 3.35Å
940E90Very high86.8Confident39 Ų3948 Ų4818%0.18224%0.243CC..Hα-helixtrans-61.6-45.7170.3-77155.6-115.200111.5E918 Y935 T937 E942 Q943 A944E918-E940 PolarHBondContact N-OE2 3.48Å; Y935-E940 HydrophobicContact CD1-CB 4.02Å; Y935-E940 HydrophobicContact CG-CB 4.33Å; T937-E940 VanDerWaalsContact CB-OE1 3.31Å; T937-E940 WeakPolarHBondContact CB-OE1 3.39Å; T937-E940 WeakPolarHBondContact CG2-OE1 3.5Å; T937-E940 PolarHBondContact O-N 3.26Å; T937-E940 WeakPolarHBondContact OG1-CG 3.46Å; T937-E940 PolarHBondContact OG1-N 2.89Å; T937-E940 PolarHBondContact OG1-OE1 2.89Å; E940-E942 VanDerWaalsContact C-N 3.28Å; E940-E942 PolarHBondContact O-N 3.47Å; E940-Q943 PolarHBondContact O-N 2.89Å; E940-A944 WeakPolarHBondContact O-CB 3.5Å; E940-A944 PolarHBondContact O-N 2.95Å
941A89.1Confident86.6Confident0 Ų047.8 Ų47.80%024%0.24CC..Hα-helixtrans-60-37.4174.200000112.3Y935 T937 R938 A944 A945 W960Y935-A941 HydrophobicContact CD2-CB 3.91Å; Y935-A941 HydrophobicContact CG-CB 4.24Å; T937-A941 PolarHBondContact O-N 3.18Å; T937-A941 VanDerWaalsContact O-N 3.16Å; R938-A941 PolarHBondContact O-N 2.96Å; A941-A944 PolarHBondContact O-N 3.12Å; A941-A945 VanDerWaalsContact O-CB 3.31Å; A941-A945 WeakPolarHBondContact O-CB 3.45Å; A941-A945 PolarHBondContact O-N 2.86Å; A941-W960 HydrophobicContact CB-CH2 3.77Å; A941-W960 HydrophobicContact CB-CZ3 3.72Å; A941-W960 WeakPolarHBondContact O-CH2 3.32Å
942E89.9Confident85.8Confident65 Ų6551.6 Ų51.630%0.30426%0.26SS..Hα-helixtrans-71-34.3176.7-76178.4170.300112.3R892 R938 A939 E940 A945 L946 W960R892-E942 IonicContact NH1-OE1 2.82Å; R938-E942 IonicContact CZ-OE1 2.81Å; R938-E942 IonicContact NE-OE1 2.62Å; R938-E942 PolarHBondContact NE-OE1 2.96Å; R938-E942 IonicContact NH2-OE1 2.63Å; R938-E942 PolarHBondContact NH2-OE1 2.75Å; R938-E942 WeakPolarHBondContact O-CG 3.3Å; R938-E942 PolarHBondContact O-N 3.34Å; A939-E942 PolarHBondContact O-N 2.96Å; E940-E942 VanDerWaalsContact C-N 3.28Å; E940-E942 PolarHBondContact O-N 3.47Å; E942-A945 PolarHBondContact O-N 3.06Å; E942-L946 WeakPolarHBondContact O-CB 3.22Å; E942-L946 WeakPolarHBondContact O-CD1 3.03Å; E942-L946 VanDerWaalsContact O-CG 3.25Å; E942-L946 WeakPolarHBondContact O-CG 3.29Å; E942-L946 PolarHBondContact O-N 2.88Å; E942-L946 VanDerWaalsContact O-N 3.11Å; E942-W960 HydrophobicContact CG-CH2 3.91Å; E942-W960 HydrophobicContact CG-CZ2 3.95Å
943Q87.9Confident84.9Confident103 Ų10356.7 Ų56.748%0.48130%0.297SS..Hα-helixtrans-66.2-43.5171.3-71.417417.800111.3A939 E940 A945 L946 H947A939-Q943 WeakPolarHBondContact O-CG 3.3Å; A939-Q943 PolarHBondContact O-N 3.35Å; E940-Q943 PolarHBondContact O-N 2.89Å; Q943-A945 VanDerWaalsContact C-N 3.34Å; Q943-A945 PolarHBondContact O-N 3.39Å; Q943-L946 PolarHBondContact O-N 3.2Å; Q943-H947 WeakPolarHBondContact O-CB 3.4Å; Q943-H947 PolarHBondContact O-CD2 3.18Å; Q943-H947 PolarHBondContact O-N 3.23Å
944A90Very high84.2Confident0 Ų060 Ų600%031%0.312CS..Hα-helixtrans-61.3-39.9173.200000112.5L896 F913 F916 Y935 E940 A941 L946 G948 L958L896-A944 HydrophobicContact CD1-CB 3.71Å; F913-A944 HydrophobicContact CD1-CB 4.29Å; F916-A944 HydrophobicContact CB-CB 3.89Å; Y935-A944 HydrophobicContact CD2-CB 4.41Å; Y935-A944 HydrophobicContact CE1-CB 4.28Å; Y935-A944 HydrophobicContact CE2-CB 3.54Å; Y935-A944 VanDerWaalsContact CZ-CB 3.45Å; Y935-A944 VanDerWaalsContact OH-CB 3.28Å; Y935-A944 WeakPolarHBondContact OH-CB 3.35Å; E940-A944 WeakPolarHBondContact O-CB 3.5Å; E940-A944 PolarHBondContact O-N 2.95Å; A941-A944 PolarHBondContact O-N 3.12Å; A944-L946 VanDerWaalsContact C-N 3.31Å; A944-L946 PolarHBondContact O-N 3.1Å; A944-G948 VanDerWaalsContact O-CA 3.26Å; A944-G948 WeakPolarHBondContact O-CA 3.47Å; A944-G948 PolarHBondContact O-N 3.48Å; A944-L958 WeakPolarHBondContact O-CD2 3.48Å
945A86.8Confident83.9Confident22 Ų2264.1 Ų64.118%0.18234%0.337CS..Hα-helixtrans-66.3-29.6177.100000113.6L896 A941 E942 Q943 V949 W960L896-A945 HydrophobicContact CD1-CB 4.1Å; L896-A945 HydrophobicContact CD2-CB 3.97Å; A941-A945 VanDerWaalsContact O-CB 3.31Å; A941-A945 WeakPolarHBondContact O-CB 3.45Å; A941-A945 PolarHBondContact O-N 2.86Å; E942-A945 PolarHBondContact O-N 3.06Å; Q943-A945 VanDerWaalsContact C-N 3.34Å; Q943-A945 PolarHBondContact O-N 3.39Å; A945-V949 WeakPolarHBondContact O-CG2 3.5Å; A945-W960 HydrophobicContact CB-CH2 4.07Å; A945-W960 HydrophobicContact CB-CZ2 3.56Å
946L85.5Confident83.7Confident133 Ų13364.3 Ų64.370%0.69634%0.338SS*.Hα-helixtrans-90.5-36.3-178.5-70.8169.8000113.1E942 Q943 A944E942-L946 WeakPolarHBondContact O-CB 3.22Å; E942-L946 WeakPolarHBondContact O-CD1 3.03Å; E942-L946 VanDerWaalsContact O-CG 3.25Å; E942-L946 WeakPolarHBondContact O-CG 3.29Å; E942-L946 PolarHBondContact O-N 2.88Å; E942-L946 VanDerWaalsContact O-N 3.11Å; Q943-L946 PolarHBondContact O-N 3.2Å; A944-L946 VanDerWaalsContact C-N 3.31Å; A944-L946 PolarHBondContact O-N 3.1Å
947H81.9Confident83.8Confident120 Ų12070.2 Ų70.256%0.55636%0.359SS*.Hα-helixtrans-105.9-32.8-173.9-63.8-68.7000113.7F916 Q943 V949F916-H947 HydrophobicContact CD1-CB 3.75Å; F916-H947 HydrophobicContact CE1-CB 3.43Å; F916-H947 VanDerWaalsContact CE1-CB 3.43Å; F916-H947 HydrophobicContact CZ-CB 4Å; Q943-H947 WeakPolarHBondContact O-CB 3.4Å; Q943-H947 PolarHBondContact O-CD2 3.18Å; Q943-H947 PolarHBondContact O-N 3.23Å; H947-V949 PolarHBondContact O-N 3.11Å
948G83.4Confident84Confident0 Ų069.3 Ų69.30%035%0.351CS..THydrogen-bonded Turntrans-69.9-1.2-178.800000115.3F913 A944 R950F913-G948 VanDerWaalsContact CZ-O 3.26Å; F913-G948 WeakPolarHBondContact CZ-O 3.32Å; A944-G948 VanDerWaalsContact O-CA 3.26Å; A944-G948 WeakPolarHBondContact O-CA 3.47Å; A944-G948 PolarHBondContact O-N 3.48Å; G948-R950 PolarHBondContact O-N 2.88Å
949V84.9Confident84.1Confident52 Ų5269.7 Ų69.732%0.31536%0.361SS..THydrogen-bonded Turntrans-64.7-25.7175.1-178.80000112.3A945 H947 T955 L956 L958A945-V949 WeakPolarHBondContact O-CG2 3.5Å; H947-V949 PolarHBondContact O-N 3.11Å; V949-T955 CarbonylContact O-C 3.58Å; V949-T955 VanDerWaalsContact O-CA 3.32Å; V949-T955 WeakPolarHBondContact O-CA 3.37Å; V949-L956 PolarHBondContact O-N 3.3Å; V949-L958 HydrophobicContact CG2-CD1 4.31Å; V949-L958 HydrophobicContact CG2-CD2 4.07Å
950R80.2Confident84.4Confident194 Ų19471.3 Ų71.373%0.73236%0.356SS*.EExtended strand (participates in β ladder)trans-108.7117.9-177.8-61.4-172.369.3-174.20.9110.6H912 G948H912-R950 PolarHBondContact CE1-O 3.15Å; H912-R950 PolarHBondContact NE2-O 2.77Å; G948-R950 PolarHBondContact O-N 2.88Å
951F79.8Confident84.1Confident8 Ų871.8 Ų71.84%0.03536%0.358CS..EExtended strand (participates in β ladder)trans-146.6132.2-174175.1-95.4000110.5D905 D908 H912 S953 Q954 L956D905-F951 HydrophobicContact CB-CE1 3.61Å; D905-F951 HydrophobicContact CB-CZ 4.32Å; D905-F951 WeakPolarHBondContact OD1-CE1 3.28Å; D908-F951 HydrophobicContact CB-CE2 4.15Å; D908-F951 HydrophobicContact CB-CZ 3.74Å; H912-F951 HydrophobicContact CB-CD2 3.63Å; H912-F951 HydrophobicContact CB-CE2 3.59Å; H912-F951 AromaticContact CD2-CD2 3.99Å; H912-F951 AromaticContact CE1-CD2 3.85Å; H912-F951 AromaticContact CG-CD2 3.46Å; H912-F951 VanDerWaalsContact CG-CD2 3.46Å; H912-F951 AromaticContact CG-CE2 3.98Å; H912-F951 AromaticContact ND1-CD2 3.4Å; H912-F951 WeakPolarHBondContact ND1-CD2 3.39Å; F951-S953 PolarHBondContact O-N 3.36Å; F951-Q954 PolarHBondContact N-O 3.27Å; F951-Q954 CarbonylContact O-C 3.51Å; F951-Q954 WeakPolarHBondContact O-CA 3.28Å; F951-Q954 WeakPolarHBondContact O-CB 3.31Å; F951-Q954 PolarHBondContact O-N 2.67Å; F951-Q954 VanDerWaalsContact O-O 3.12Å; F951-L956 HydrophobicContact CB-CD1 3.51Å; F951-L956 HydrophobicContact CB-CG 3.85Å; F951-L956 HydrophobicContact CD1-CD1 4.26Å; F951-L956 HydrophobicContact CD1-CD2 4.48Å; F951-L956 HydrophobicContact CG-CD1 3.93Å
952N69.1Low83.7Confident81 Ų8179.7 Ų79.743%0.43339%0.393SS..THydrogen-bonded Turntrans43.842.5-179.7-70.1-3.7000114.3D905 Q954D905-N952 PolarHBondContact OD1-ND2 3.31Å; N952-Q954 PolarHBondContact O-N 3.44Å; N952-Q954 VanDerWaalsContact O-N 3.09Å
953S70.8Confident82.6Confident128 Ų12881.2 Ų81.290%0.89541%0.408SS*.THydrogen-bonded Turntrans64.5-10.1-171.574.70000117.5F951F951-S953 PolarHBondContact O-N 3.36Å
954Q75.8Confident80.6Confident76 Ų7680.2 Ų80.236%0.35542%0.417SS..EExtended strand (participates in β ladder)trans-80.9165.7172.2-57178.346.100111.9D905 F951 N952D905-Q954 PolarHBondContact OD2-NE2 3.38Å; D905-Q954 VanDerWaalsContact OD2-NE2 3.17Å; F951-Q954 PolarHBondContact N-O 3.27Å; F951-Q954 CarbonylContact O-C 3.51Å; F951-Q954 WeakPolarHBondContact O-CA 3.28Å; F951-Q954 WeakPolarHBondContact O-CB 3.31Å; F951-Q954 PolarHBondContact O-N 2.67Å; F951-Q954 VanDerWaalsContact O-O 3.12Å; N952-Q954 PolarHBondContact O-N 3.44Å; N952-Q954 VanDerWaalsContact O-N 3.09Å
955T82.2Confident78Confident110 Ų11086.2 Ų86.268%0.67545%0.454SS*.EExtended strand (participates in β ladder)trans-112.4108.6173.452.90000110.7V949V949-T955 CarbonylContact O-C 3.58Å; V949-T955 VanDerWaalsContact O-CA 3.32Å; V949-T955 WeakPolarHBondContact O-CA 3.37Å
956L87.9Confident75.3Confident5 Ų591.7 Ų91.73%0.02649%0.485CS..  trans-75.3142.7178-59.7177.9000110.7I898 G900 F901 L909 F913 V949 F951 L958I898-L956 HydrophobicContact CG2-CB 4.21Å; I898-L956 HydrophobicContact CG2-CD1 3.87Å; I898-L956 HydrophobicContact CG2-CG 4.49Å; G900-L956 WeakPolarHBondContact O-CD2 3.19Å; F901-L956 HydrophobicContact CB-CD2 3.81Å; L909-L956 HydrophobicContact CD1-CD1 3.65Å; F913-L956 HydrophobicContact CE2-CD1 3.7Å; F913-L956 HydrophobicContact CZ-CD1 3.99Å; V949-L956 PolarHBondContact O-N 3.3Å; F951-L956 HydrophobicContact CB-CD1 3.51Å; F951-L956 HydrophobicContact CB-CG 3.85Å; F951-L956 HydrophobicContact CD1-CD1 4.26Å; F951-L956 HydrophobicContact CD1-CD2 4.48Å; F951-L956 HydrophobicContact CG-CD1 3.93Å; L956-L958 HydrophobicContact CB-CD1 3.52Å; L956-L958 WeakPolarHBondContact O-CD1 3.49Å; L956-L958 PolarHBondContact O-N 3.35Å
957R85.9Confident72.6Confident192 Ų19292.3 Ų92.373%0.72549%0.489SS*.EExtended strand (participates in β ladder)trans-90.4104.2173.8178.7-175.5-176.7-164.60.6109.4S899S899-R957 PolarHBondContact N-O 3.06Å; S899-R957 PolarHBondContact O-N 2.92Å; S899-R957 WeakPolarHBondContact OG-CB 3.31Å; S899-R957 PolarHBondContact OG-O 3.11Å
958L90.6Very high69.9Low39 Ų3992.4 Ų92.420%0.20450%0.502CS..EExtended strand (participates in β ladder)trans-95.9132.7177.8-75.362.4000110.4L896 E897 I898 F913 A944 V949 L956L896-L958 HydrophobicContact CD1-CD2 4.42Å; E897-L958 CarbonylContact O-C 3.55Å; E897-L958 WeakPolarHBondContact O-CA 3.32Å; I898-L958 HydrophobicContact CG1-CG 4.33Å; I898-L958 HydrophobicContact CG2-CD1 4.36Å; F913-L958 HydrophobicContact CE1-CD2 3.91Å; F913-L958 HydrophobicContact CZ-CD1 4.26Å; F913-L958 HydrophobicContact CZ-CD2 4.12Å; F913-L958 HydrophobicContact CZ-CG 4.36Å; A944-L958 WeakPolarHBondContact O-CD2 3.48Å; V949-L958 HydrophobicContact CG2-CD1 4.31Å; V949-L958 HydrophobicContact CG2-CD2 4.07Å; L956-L958 HydrophobicContact CB-CD1 3.52Å; L956-L958 WeakPolarHBondContact O-CD1 3.49Å; L956-L958 PolarHBondContact O-N 3.35Å
959A88.6Confident67.2Low41 Ų4198.9 Ų98.934%0.33954%0.541SS..EExtended strand (participates in β ladder)trans-128.9155.2173.900000110.6L896 E897 H961L896-A959 CarbonylContact C-O 3.56Å; L896-A959 WeakPolarHBondContact CA-O 3.31Å; E897-A959 HydrophobicContact CB-CB 4.37Å; E897-A959 PolarHBondContact N-O 3.27Å; E897-A959 PolarHBondContact O-N 3.27Å; A959-H961 PolarHBondContact O-N 3.07Å
960W91.8Very high64.5Low90 Ų9099.1 Ų99.134%0.34155%0.554SS.*EExtended strand (participates in β ladder)trans-82.6100.5176.8-76.1106000110.5P893 L896 R938 A941 E942 A945 K962P893-W960 HydrophobicContact CB-CE3 4.44Å; P893-W960 HydrophobicContact CG-CB 3.96Å; P893-W960 HydrophobicContact CG-CD2 4.43Å; P893-W960 HydrophobicContact CG-CE3 4.1Å; P893-W960 HydrophobicContact CG-CG 4.41Å; P893-W960 VanDerWaalsContact O-CZ3 3.28Å; P893-W960 WeakPolarHBondContact O-CZ3 3.44Å; L896-W960 HydrophobicContact CD2-CD2 3.71Å; L896-W960 HydrophobicContact CD2-CE3 3.51Å; L896-W960 HydrophobicContact CD2-CG 4.43Å; L896-W960 HydrophobicContact CD2-CH2 3.9Å; L896-W960 HydrophobicContact CD2-CZ2 4.08Å; L896-W960 HydrophobicContact CD2-CZ3 3.6Å; L896-W960 HydrophobicContact CG-CE3 4.29Å; L896-W960 HydrophobicContact CG-CH2 4.48Å; L896-W960 HydrophobicContact CG-CZ3 4.06Å; R938-W960 VanDerWaalsContact CZ-CH2 3.42Å; R938-W960 VanDerWaalsContact NH2-CZ2 3.32Å; A941-W960 HydrophobicContact CB-CH2 3.77Å; A941-W960 HydrophobicContact CB-CZ3 3.72Å; A941-W960 WeakPolarHBondContact O-CH2 3.32Å; E942-W960 HydrophobicContact CG-CH2 3.91Å; E942-W960 HydrophobicContact CG-CZ2 3.95Å; A945-W960 HydrophobicContact CB-CH2 4.07Å; A945-W960 HydrophobicContact CB-CZ2 3.56Å; W960-K962 PolarHBondContact O-N 3.46Å; W960-K962 VanDerWaalsContact O-N 3.13Å
961H84.3Confident61.9Low49 Ų4997.2 Ų97.223%0.22756%0.559CS.*EExtended strand (participates in β ladder)trans-66113.2178.6-177-101.1000110.3P893 A895 E897 V932 A959P893-H961 WeakPolarHBondContact CB-O 3.23Å; A895-H961 HydrophobicContact CB-CB 3.86Å; A895-H961 PolarHBondContact O-N 3.18Å; E897-H961 HydrophobicContact CB-CB 4.06Å; V932-H961 HydrophobicContact CG1-CB 3.99Å; A959-H961 PolarHBondContact O-N 3.07Å
962K79.6Confident59.5Low166 Ų166101.4 Ų101.472%0.72260%0.595SS**PPolyproline II helixtrans-91.5119162.7-62.9176.8-175.7174.70106.2W960 A964W960-K962 PolarHBondContact O-N 3.46Å; W960-K962 VanDerWaalsContact O-N 3.13Å; K962-A964 PolarHBondContact O-N 3.04Å; K962-A964 VanDerWaalsContact O-N 3.08Å
963P67.9Low57.5Low97 Ų97106.6 Ų106.663%0.6362%0.616SS**PPolyproline II helixtrans-60.9118.8172.526.5-32.6000108.3T965P963-T965 PolarHBondContact O-N 2.93Å
964A46.4Very low55.4Low82 Ų82109.7 Ų109.768%0.67862%0.617SS**PPolyproline II helixtrans-60.6120167.600000107.4K962 T966K962-A964 PolarHBondContact O-N 3.04Å; K962-A964 VanDerWaalsContact O-N 3.08Å; A964-T966 VanDerWaalsContact C-N 3.34Å; A964-T966 PolarHBondContact O-N 3.49Å
965T35.3Very low53.1Low126 Ų126115 Ų11577%0.77364%0.638SS**  trans-65.299.416937.80000107.8P963 L967P963-T965 PolarHBondContact O-N 2.93Å; T965-L967 PolarHBondContact O-N 2.81Å
966T28.7Very low50.4Low136 Ų136118.2 Ų118.283%0.83465%0.646SS**  trans-67.579.4171.452.70000108.9A964 C968A964-T966 VanDerWaalsContact C-N 3.34Å; A964-T966 PolarHBondContact O-N 3.49Å; T966-C968 PolarHBondContact O-N 3.27Å; T966-C968 VanDerWaalsContact O-N 3.12Å
967L29.4Very low47.8Very low147 Ų147122.2 Ų122.277%0.7767%0.672SS**  trans-62.3109.6163.7-70.1173.3000106.8T965 T969T965-L967 PolarHBondContact O-N 2.81Å; L967-T969 PolarHBondContact O-N 3.36Å; L967-T969 VanDerWaalsContact O-N 3.17Å
968C24.4Very low45.8Very low122 Ų122117.8 Ų117.882%0.82467%0.668SS**  trans-71.8105.3170-168.50000107.2T966T966-C968 PolarHBondContact O-N 3.27Å; T966-C968 VanDerWaalsContact O-N 3.12Å
969T27.2Very low42.7Very low135 Ų135124.4 Ų124.483%0.82870%0.698SS**  trans-81135174.445.30000110.4L967L967-T969 PolarHBondContact O-N 3.36Å; L967-T969 VanDerWaalsContact O-N 3.17Å
970G29.3Very low39.9Very low57 Ų57129.4 Ų129.459%0.58872%0.719SS**  trans102.7113.5-167.600000110
971D24.6Very low37Very low155 Ų155132 Ų13283%0.82974%0.735SS**  cis-121.3154.12.4-71.5-58.7000109.1
972A30.4Very low34.2Very low96 Ų96139.3 Ų139.379%0.79376%0.762SS**  cis65.258.748.200000113
973E25.8Very low32.4Very low190 Ų190137 Ų13789%0.88876%0.764SS**  trans-95.7132.1163.9-170.4165.2-151.100110.1
974E27.6Very low30.7Very low193 Ų193141 Ų14190%0.90277%0.774SS**  trans-74.7154.3-179.3-169.5173.4-162.400111.5
975K28.2Very low29.8Very low186 Ų186142.3 Ų142.381%0.80977%0.766SS**  trans-122.9113.3-166.8175.5-162.6171.8-171.20112
976E24.1Very low29.9Very low178 Ų178141.3 Ų141.383%0.83277%0.765SS**  trans-143156.2163.4-92.8-75.490.800108.5
977P33.1Very low30Very low89 Ų89143.1 Ų143.158%0.57877%0.768SS**  -131.7-151.6-126.935.3-12.4000113.9
978P43.9Very low29.9Very low99 Ų99141.1 Ų141.164%0.64377%0.767SS**  -126.1-159.8-78.740.4-25.1000113.7
979E27Very low30.1Very low178 Ų178143 Ų14383%0.83277%0.768SS**  trans73.6144.1165.1-67159-146.400118
980D28.3Very low30.5Very low147 Ų147144.1 Ų144.179%0.78677%0.769SS**  cis-164.6178-34.2-144.46.5000108
981E30.9Very low30.9Very low143 Ų143144.4 Ų144.467%0.66877%0.766SS**  cis-152.61271.2-176.1-150.5-173.300109.3
982Y26.5Very low31.2Very low204 Ų204146.5 Ų146.580%0.877%0.769SS**  trans52.2172.6155.6-79.1-126000120.4
983P40.3Very low31.4Very low116 Ų116149.7 Ų149.775%0.75377%0.771SS**  cis-126.2174.3-37.334.5-18.2000114.1
984E33.7Very low31.8Very low183 Ų183148.6 Ų148.686%0.85577%0.766SS**  trans-78.4151.1178.8-57-175.3120.600116
985E26.4Very low32.3Very low108 Ų108145.7 Ų145.751%0.50576%0.757SS.*  trans-134.9139.3140.5-84.8-157.2141.600110.1R152 R153R152-E985 WeakPolarHBondContact CA-OE2 3.36Å; R152-E985 PolarHBondContact N-OE2 2.76Å; R153-E985 WeakPolarHBondContact CB-OE1 3.45Å; R153-E985 PolarHBondContact N-OE1 3.29Å; R153-E985 PolarHBondContact N-OE2 3.37Å
986S37.6Very low33Very low106 Ų106143.7 Ų143.774%0.74176%0.755SS**  trans-98.7136.1-175.32.50000113
987L30.6Very low33.8Very low173 Ų173142.3 Ų142.391%0.90675%0.753SS**  trans-138.1152.9165-103.9173.7000112.4
988S27.8Very low34.1Very low106 Ų106146.6 Ų146.674%0.74177%0.766SS**  trans-100.9140.3-172.552.90000112.3
989D29.6Very low33.8Very low161 Ų161150.8 Ų150.886%0.86178%0.777SS**  trans-100.2107.2179-142.6-24.5000111.2
990D34Very low34.4Very low158 Ų158151.4 Ų151.485%0.84578%0.78SS**  trans-154.760173.9-176.433.6000110.4
991A38.1Very low34.7Very low64 Ų64152.1 Ų152.153%0.52978%0.783SS.*  trans-170118.6158.400000110.8
992F30.3Very low34.9Very low199 Ų199151.5 Ų151.587%0.87379%0.785SS**  trans162.289.5130.8-90.3-66000110.9
993L34.8Very low35.1Very low163 Ų163147.9 Ų147.985%0.85378%0.779SS**  trans-98.8171143.5-72.1170.6000107.4
994Q35.2Very low35Very low166 Ų166150.4 Ų150.478%0.77678%0.781SS**  trans83130.4-177.1-56.5-153.4-104.500114.7
995D37.5Very low35.5Very low132 Ų132145.8 Ų145.871%0.70677%0.767SS**  cis-143.5174-5.5-85.4-32.5000110.2
996D43.8Very low36Very low145 Ų145151.7 Ų151.778%0.77578%0.784SS**  trans-88.2168.4-173.7-63.3-64.8000115.5
997D39.5Very low35.7Very low149 Ų149151.2 Ų151.280%0.79778%0.781SS**  trans69.3156.8150.7-66.8-30.3000123.4
998E39.7Very low35.8Very low178 Ų178154.2 Ų154.283%0.83278%0.781SS**  trans65.2138.6170.8-68162.8-167.700116.9
999E37.3Very low36.3Very low187 Ų187160.8 Ų160.887%0.87479%0.789SS**  cis-152.4166.42.5-138.5171.4-167.500110
1000E40.1Very low36.6Very low192 Ų192168.2 Ų168.290%0.89781%0.805SS**  trans-123.7108.2173.7175.8172-123.300109.7
1001D34.7Very low36.7Very low162 Ų162168.8 Ų168.887%0.86680%0.803SS**  trans-158.5177.2158.1-139.6-15000114.2
1002D34.7Very low36.7Very low130 Ų130174.3 Ų174.370%0.69582%0.818SS**  trans-86.2167.2-141.6-129.4-12.2000120.5
1003N31.3Very low37Very low127 Ų127172.9 Ų172.968%0.67981%0.814SS**  trans76130.8144.8-90.5-48.9000126.4
1004E38.1Very low37.1Very low169 Ų169173.5 Ų173.579%0.7981%0.812SS**  trans73.2154.5140.4-76.2-114.791.500120.9
1005P45.3Very low37.3Very low86 Ų86173.9 Ų173.956%0.55881%0.814SS**  -136.7168.5-127.844.8-29.4000116.8
1006R35.4Very low37.2Very low232 Ų232176.7 Ų176.788%0.87582%0.822SS**  trans65.4125.7168.1-56.3162.3175.1171-1.5113.3
1007S31.9Very low36.8Very low96 Ų96179 Ų17967%0.67183%0.825SS**  154.9159.588.454.30000107.9
1008W33.4Very low36.6Very low237 Ų237181.3 Ų181.390%0.89883%0.827SS**  cis-133.4175.1-0.1-80.2-55.9000110.3
1009R37.3Very low36.3Very low244 Ų244181.6 Ų181.692%0.92183%0.827SS**  trans-62.5141.3152.3-58.5174.3176.2-171.9-1.7110.8
1010R36.2Very low36.2Very low317 Ų317181.1 Ų181.1100%1.19682%0.823SS**  trans-1430138.3-79.6-160.2173.8-104.3-3109.1

Retrieved 1,010 of 1,010 residues in 142.8 ms (Link to these results)

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