A0A096MQB2_PAPAN Loading...

U4/U6 small nuclear ribonucleoprotein Prp3

Plays a role in pre-mRNA splicing as component of the U4/U6-U5 tri-snRNP complex that is involved in spliceosome assembly, and as component of the precatalytic spliceosome (spliceosome B complex).

AlphaFold DB (A0A2I3M5L2), UniProt , Accession A0A096MQB2, Species PAPAN (Papio anubis, Olive baboon), Gene PRPF3, Length 683 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
1M51.1Low75.7Confident218 Ų21894.4 Ų94.4100%1.07447%0.474SS*.  01270-68.3-161-149.400108.4
2A63.7Low76.4Confident81 Ų8193.9 Ų93.967%0.66947%0.466SS*.PPolyproline II helixtrans-69.8141177.200000110.8G39A2-G39 VanDerWaalsContact CA-O 3.31Å; A2-G39 WeakPolarHBondContact CA-O 3.48Å; A2-G39 WeakPolarHBondContact CB-O 3.29Å
3L76.8Confident77.1Confident21 Ų2192.3 Ų92.311%0.1147%0.467CS..PPolyproline II helixtrans-83.2143.3-179.5-76.4168.8000111E7 L8 L11 V38 G39L3-E7 HydrophobicContact CD2-CB 4.22Å; L3-L8 HydrophobicContact CB-CD2 4.36Å; L3-L8 HydrophobicContact CB-CG 4.17Å; L3-L8 HydrophobicContact CD1-CD2 4.34Å; L3-L11 HydrophobicContact CD1-CD1 3.77Å; L3-V38 HydrophobicContact CD1-CG1 3.56Å; L3-G39 PolarHBondContact N-O 2.98Å
4S80.2Confident77.5Confident60 Ų6092.7 Ų92.742%0.4246%0.46SS..PPolyproline II helixtrans-70.6154.4175.867.50000111.5R6 E7 L8S4-R6 PolarHBondContact O-N 2.88Å; S4-R6 VanDerWaalsContact O-N 3.17Å; S4-E7 PolarHBondContact N-OE2 3.24Å; S4-E7 WeakPolarHBondContact O-CB 3.49Å; S4-E7 PolarHBondContact O-N 3.08Å; S4-E7 VanDerWaalsContact OG-CG 3.23Å; S4-E7 WeakPolarHBondContact OG-CG 3.41Å; S4-E7 PolarHBondContact OG-OE2 3.49Å; S4-L8 PolarHBondContact O-N 3.06Å; S4-L8 VanDerWaalsContact O-N 3.1Å
5K76.7Confident77.9Confident170 Ų17086.5 Ų86.574%0.73943%0.429SS*.Hα-helixtrans-53.5-39.2-179.7-172.4175.8-179.1178.20112.8E7 L8 D9K5-E7 VanDerWaalsContact C-N 3.31Å; K5-E7 PolarHBondContact O-N 3.15Å; K5-L8 PolarHBondContact O-N 3.49Å; K5-D9 PolarHBondContact O-N 3.33Å; K5-D9 VanDerWaalsContact O-N 3.08Å
6R78.5Confident78.4Confident194 Ų19486.1 Ų86.173%0.73243%0.426SS*.Hα-helixtrans-63.7-35.5177-173.7176.2177.71672.8112.5S4 E10S4-R6 PolarHBondContact O-N 2.88Å; S4-R6 VanDerWaalsContact O-N 3.17Å; R6-E10 WeakPolarHBondContact O-CG 3.09Å; R6-E10 PolarHBondContact O-N 3.37Å
7E79.4Confident78.8Confident58 Ų5888.6 Ų88.627%0.27143%0.434SS..Hα-helixtrans-76.1-31.6178.3-65.2174.811500112.4L3 S4 K5 E10 L11 R77L3-E7 HydrophobicContact CD2-CB 4.22Å; S4-E7 PolarHBondContact N-OE2 3.24Å; S4-E7 WeakPolarHBondContact O-CB 3.49Å; S4-E7 PolarHBondContact O-N 3.08Å; S4-E7 VanDerWaalsContact OG-CG 3.23Å; S4-E7 WeakPolarHBondContact OG-CG 3.41Å; S4-E7 PolarHBondContact OG-OE2 3.49Å; K5-E7 VanDerWaalsContact C-N 3.31Å; K5-E7 PolarHBondContact O-N 3.15Å; E7-E10 PolarHBondContact O-N 3.02Å; E7-L11 WeakPolarHBondContact O-CG 3.26Å; E7-L11 PolarHBondContact O-N 3.09Å; E7-L11 VanDerWaalsContact O-N 3.09Å; E7-R77 IonicContact OE1-NH1 2.73Å; E7-R77 PolarHBondContact OE1-NH1 3.47Å
8L79.8Confident79.1Confident36 Ų3683.9 Ų83.919%0.18841%0.411CS..Hα-helixtrans-67.1-41.9173.8-74169000112.1L3 S4 K5 E10 L11 K12 L35L3-L8 HydrophobicContact CB-CD2 4.36Å; L3-L8 HydrophobicContact CB-CG 4.17Å; L3-L8 HydrophobicContact CD1-CD2 4.34Å; S4-L8 PolarHBondContact O-N 3.06Å; S4-L8 VanDerWaalsContact O-N 3.1Å; K5-L8 PolarHBondContact O-N 3.49Å; L8-E10 VanDerWaalsContact C-N 3.25Å; L8-E10 PolarHBondContact O-N 2.95Å; L8-L11 PolarHBondContact O-N 3.12Å; L8-K12 PolarHBondContact O-N 3.01Å; L8-L35 HydrophobicContact CD2-CD2 4.09Å
9D81.9Confident79.4Confident100 Ų10079.5 Ų79.554%0.53539%0.389SS..Hα-helixtrans-63.5-32.1175.9-73.2-23.1000112.2K5K5-D9 PolarHBondContact O-N 3.33Å; K5-D9 VanDerWaalsContact O-N 3.08Å
10E83.3Confident79.6Confident94 Ų9482 Ų8244%0.43940%0.398SS..Hα-helixtrans-76.2-29.8175.5-73.7179.5-166.500113.4R6 E7 L8 P13 R77R6-E10 WeakPolarHBondContact O-CG 3.09Å; R6-E10 PolarHBondContact O-N 3.37Å; E7-E10 PolarHBondContact O-N 3.02Å; L8-E10 VanDerWaalsContact C-N 3.25Å; L8-E10 PolarHBondContact O-N 2.95Å; E10-P13 WeakPolarHBondContact O-CD 3.48Å; E10-R77 IonicContact OE2-CZ 3.69Å; E10-R77 IonicContact OE2-NE 3Å; E10-R77 PolarHBondContact OE2-NE 3.01Å; E10-R77 IonicContact OE2-NH2 2.86Å; E10-R77 PolarHBondContact OE2-NH2 3.23Å
11L81.4Confident79.8Confident6 Ų685.3 Ų85.33%0.03141%0.406CS..Hα-helixtrans-82.9-22.8177.3-74.8168.8000112.8L3 E7 L8 W14 I15 V38 V70L3-L11 HydrophobicContact CD1-CD1 3.77Å; E7-L11 WeakPolarHBondContact O-CG 3.26Å; E7-L11 PolarHBondContact O-N 3.09Å; E7-L11 VanDerWaalsContact O-N 3.09Å; L8-L11 PolarHBondContact O-N 3.12Å; L11-W14 WeakPolarHBondContact O-CB 3.31Å; L11-W14 PolarHBondContact O-N 3.37Å; L11-I15 HydrophobicContact CB-CD1 4.25Å; L11-I15 PolarHBondContact O-N 2.92Å; L11-V38 HydrophobicContact CD1-CG1 4.24Å; L11-V70 HydrophobicContact CD1-CG1 4.22Å; L11-V70 HydrophobicContact CD2-CG1 4.37Å; L11-V70 HydrophobicContact CD2-CG2 4.43Å
12K84.6Confident81.2Confident89 Ų8976.8 Ų76.839%0.38737%0.367SS..Hα-helixtrans-49.2-46.7-179176.4172-177.5-179.20114.3L8 W14 I15 E16 L35L8-K12 PolarHBondContact O-N 3.01Å; K12-W14 VanDerWaalsContact C-N 3.28Å; K12-W14 PolarHBondContact O-N 2.8Å; K12-I15 PolarHBondContact O-N 3.17Å; K12-E16 WeakPolarHBondContact CE-OE1 3.46Å; K12-E16 HydrophobicContact CG-CG 4.46Å; K12-E16 WeakPolarHBondContact O-CG 3.46Å; K12-E16 PolarHBondContact O-N 3.31Å; K12-L35 HydrophobicContact CB-CD1 4.11Å; K12-L35 HydrophobicContact CB-CD2 4.25Å; K12-L35 HydrophobicContact CD-CD1 4.2Å; K12-L35 HydrophobicContact CG-CD1 3.97Å
13P85.4Confident81.9Confident73 Ų7374.9 Ų74.947%0.47435%0.345SS..Hα-helixtrans-64.6-30.1178.7-21.734000113.9E10 K17E10-P13 WeakPolarHBondContact O-CD 3.48Å; P13-K17 VanDerWaalsContact O-CB 3.32Å; P13-K17 WeakPolarHBondContact O-CB 3.23Å; P13-K17 PolarHBondContact O-N 3.48Å; P13-K17 VanDerWaalsContact O-N 3.1Å
14W82.1Confident81.9Confident98 Ų9876.8 Ų76.837%0.37137%0.37SS..Hα-helixtrans-74.8-39.6177.9-67.587.6000111.2L11 K12 K17 T18L11-W14 WeakPolarHBondContact O-CB 3.31Å; L11-W14 PolarHBondContact O-N 3.37Å; K12-W14 VanDerWaalsContact C-N 3.28Å; K12-W14 PolarHBondContact O-N 2.8Å; W14-K17 PolarHBondContact O-N 3.1Å; W14-T18 WeakPolarHBondContact O-CB 3.5Å; W14-T18 PolarHBondContact O-N 3.19Å; W14-T18 PolarHBondContact O-OG1 3.24Å
15I83.9Confident81.9Confident0 Ų079.6 Ų79.60%037%0.374CS..Hα-helixtrans-67.6-44.5176.1-64.7171.6000110.2L11 K12 K17 T18 V19 V31 A34 L35 V38 L66L11-I15 HydrophobicContact CB-CD1 4.25Å; L11-I15 PolarHBondContact O-N 2.92Å; K12-I15 PolarHBondContact O-N 3.17Å; I15-K17 VanDerWaalsContact C-N 3.32Å; I15-K17 PolarHBondContact O-N 3.21Å; I15-T18 PolarHBondContact O-N 2.99Å; I15-T18 VanDerWaalsContact O-N 3.09Å; I15-V19 WeakPolarHBondContact O-CG2 3.48Å; I15-V19 PolarHBondContact O-N 2.99Å; I15-V31 HydrophobicContact CG2-CG1 4.36Å; I15-A34 HydrophobicContact CG2-CB 3.81Å; I15-L35 HydrophobicContact CD1-CD2 3.49Å; I15-L35 VanDerWaalsContact CD1-CD2 3.49Å; I15-L35 HydrophobicContact CD1-CG 3.92Å; I15-V38 HydrophobicContact CD1-CG2 4.47Å; I15-L66 HydrophobicContact CB-CD1 4.3Å; I15-L66 HydrophobicContact CD1-CD1 4.32Å; I15-L66 HydrophobicContact CG1-CD1 3.77Å; I15-L66 HydrophobicContact CG2-CD1 3.87Å
16E85.9Confident82Confident80 Ų8075.2 Ų75.237%0.37437%0.365SS..Hα-helixtrans-58-43173.6-76.7175.9-174.600112.3K12 T18 V19 K20 V31K12-E16 WeakPolarHBondContact CE-OE1 3.46Å; K12-E16 HydrophobicContact CG-CG 4.46Å; K12-E16 WeakPolarHBondContact O-CG 3.46Å; K12-E16 PolarHBondContact O-N 3.31Å; E16-T18 VanDerWaalsContact C-N 3.3Å; E16-T18 PolarHBondContact O-N 3.33Å; E16-V19 PolarHBondContact O-N 3.43Å; E16-K20 WeakPolarHBondContact O-CB 3.47Å; E16-K20 PolarHBondContact O-N 3.08Å; E16-V31 HydrophobicContact CG-CB 4.42Å; E16-V31 HydrophobicContact CG-CG1 3.62Å; E16-V31 HydrophobicContact CG-CG2 3.9Å
17K85.3Confident82.2Confident128 Ų12868.9 Ų68.956%0.55734%0.344SS*.Hα-helixtrans-65.6-33.9176.4-168.1175.3-175-179.70112.2P13 W14 I15 R21P13-K17 VanDerWaalsContact O-CB 3.32Å; P13-K17 WeakPolarHBondContact O-CB 3.23Å; P13-K17 PolarHBondContact O-N 3.48Å; P13-K17 VanDerWaalsContact O-N 3.1Å; W14-K17 PolarHBondContact O-N 3.1Å; I15-K17 VanDerWaalsContact C-N 3.32Å; I15-K17 PolarHBondContact O-N 3.21Å; K17-R21 VanDerWaalsContact O-CB 3.3Å; K17-R21 WeakPolarHBondContact O-CB 3.34Å; K17-R21 PolarHBondContact O-N 2.91Å
18T83.4Confident82.4Confident4 Ų470.6 Ų70.63%0.02536%0.36CS..Hα-helixtrans-73.3-43.3178.2-55.10000111.2W14 I15 E16 R21 V22 F62 K65 A69W14-T18 WeakPolarHBondContact O-CB 3.5Å; W14-T18 PolarHBondContact O-N 3.19Å; W14-T18 PolarHBondContact O-OG1 3.24Å; I15-T18 PolarHBondContact O-N 2.99Å; I15-T18 VanDerWaalsContact O-N 3.09Å; E16-T18 VanDerWaalsContact C-N 3.3Å; E16-T18 PolarHBondContact O-N 3.33Å; T18-R21 PolarHBondContact O-N 2.74Å; T18-R21 VanDerWaalsContact O-N 3.17Å; T18-V22 HydrophobicContact CG2-CG2 4.47Å; T18-V22 WeakPolarHBondContact O-CG2 3.33Å; T18-V22 PolarHBondContact O-N 3.02Å; T18-F62 HydrophobicContact CG2-CE2 4.34Å; T18-K65 HydrophobicContact CG2-CB 4.08Å; T18-A69 WeakPolarHBondContact OG1-CB 3.41Å
19V84.6Confident82.6Confident0 Ų072.3 Ų72.30%037%0.372CS..Hα-helixtrans-57.3-50.6172.2171.40000110.3I15 E16 R21 V22 L23 V30 V31 F62I15-V19 WeakPolarHBondContact O-CG2 3.48Å; I15-V19 PolarHBondContact O-N 2.99Å; E16-V19 PolarHBondContact O-N 3.43Å; V19-R21 VanDerWaalsContact C-N 3.25Å; V19-R21 PolarHBondContact O-N 3.02Å; V19-V22 PolarHBondContact O-N 2.87Å; V19-L23 HydrophobicContact CG1-CD1 4.04Å; V19-L23 WeakPolarHBondContact O-CB 3.46Å; V19-L23 PolarHBondContact O-N 3Å; V19-V30 HydrophobicContact CG1-CB 4.47Å; V19-V30 HydrophobicContact CG1-CG1 4.37Å; V19-V30 HydrophobicContact CG2-CG1 3.99Å; V19-V31 HydrophobicContact CB-CG2 3.96Å; V19-V31 HydrophobicContact CG1-CG2 4.09Å; V19-V31 HydrophobicContact CG2-CG2 3.72Å; V19-F62 HydrophobicContact CB-CE2 4.33Å; V19-F62 HydrophobicContact CG2-CE2 3.56Å; V19-F62 HydrophobicContact CG2-CZ 3.53Å
20K84.6Confident82.7Confident130 Ų13067.5 Ų67.557%0.56535%0.346SS*.Hα-helixtrans-61.2-33177.6-171.2173-177.9173.70113.2E16 G24 F25E16-K20 WeakPolarHBondContact O-CB 3.47Å; E16-K20 PolarHBondContact O-N 3.08Å; K20-G24 CarbonylContact O-C 3.44Å; K20-G24 WeakPolarHBondContact O-CA 3.45Å; K20-G24 PolarHBondContact O-N 3.38Å; K20-F25 WeakPolarHBondContact CA-O 3.41Å
21R83.1Confident82.9Confident152 Ų15263.3 Ų63.357%0.57433%0.327SS*.Hα-helixtrans-73.7-36.1178.2-173.2-171.7-63.5156.7-4.3112.5K17 T18 V19K17-R21 VanDerWaalsContact O-CB 3.3Å; K17-R21 WeakPolarHBondContact O-CB 3.34Å; K17-R21 PolarHBondContact O-N 2.91Å; T18-R21 PolarHBondContact O-N 2.74Å; T18-R21 VanDerWaalsContact O-N 3.17Å; V19-R21 VanDerWaalsContact C-N 3.25Å; V19-R21 PolarHBondContact O-N 3.02Å
22V80.5Confident83.3Confident39 Ų3967.4 Ų67.424%0.23635%0.353CS..Hα-helixtrans-87.6-40.5-175.1176.10000111.7T18 V19 F62 K65T18-V22 HydrophobicContact CG2-CG2 4.47Å; T18-V22 WeakPolarHBondContact O-CG2 3.33Å; T18-V22 PolarHBondContact O-N 3.02Å; V19-V22 PolarHBondContact O-N 2.87Å; V22-F62 HydrophobicContact CB-CD2 3.96Å; V22-F62 HydrophobicContact CG1-CB 4.16Å; V22-F62 HydrophobicContact CG1-CD2 4.04Å; V22-F62 HydrophobicContact CG2-CD2 4.06Å; V22-K65 HydrophobicContact CG2-CD 3.73Å
23L79.1Confident83.4Confident41 Ų4163.7 Ų63.722%0.21534%0.339CS..Hα-helixtrans-95.6-10.5-179-67.2175.8000113.6V19 F25 V30 L55V19-L23 HydrophobicContact CG1-CD1 4.04Å; V19-L23 WeakPolarHBondContact O-CB 3.46Å; V19-L23 PolarHBondContact O-N 3Å; L23-F25 HydrophobicContact CB-CD1 4.47Å; L23-F25 HydrophobicContact CB-CE1 4.28Å; L23-F25 WeakPolarHBondContact O-CD1 3.28Å; L23-F25 WeakPolarHBondContact O-CE1 3.33Å; L23-F25 PolarHBondContact O-N 2.96Å; L23-F25 VanDerWaalsContact O-N 3.13Å; L23-V30 HydrophobicContact CD1-CG1 4.4Å; L23-V30 HydrophobicContact CD1-CG2 4.3Å; L23-L55 HydrophobicContact CD1-CD2 3.48Å; L23-L55 VanDerWaalsContact CD1-CD2 3.48Å; L23-L55 HydrophobicContact CD2-CD2 3.71Å; L23-L55 HydrophobicContact CG-CD2 3.95Å
24G77.3Confident83.3Confident61 Ų6160.2 Ų60.263%0.62932%0.316SS*.SBendtrans78.2-18-176.500000114.4K20K20-G24 CarbonylContact O-C 3.44Å; K20-G24 WeakPolarHBondContact O-CA 3.45Å; K20-G24 PolarHBondContact O-N 3.38Å
25F79.1Confident83.6Confident119 Ų11956.9 Ų56.952%0.52231%0.305SS..SBendtrans-133.3162.5174.562-86000111.3K20 L23 E27K20-F25 WeakPolarHBondContact CA-O 3.41Å; L23-F25 HydrophobicContact CB-CD1 4.47Å; L23-F25 HydrophobicContact CB-CE1 4.28Å; L23-F25 WeakPolarHBondContact O-CD1 3.28Å; L23-F25 WeakPolarHBondContact O-CE1 3.33Å; L23-F25 PolarHBondContact O-N 2.96Å; L23-F25 VanDerWaalsContact O-N 3.13Å; F25-E27 HydrophobicContact CD2-CB 4.35Å; F25-E27 HydrophobicContact CE2-CB 3.96Å; F25-E27 HydrophobicContact CE2-CG 4.18Å
26S78.3Confident83.7Confident78 Ų7860.1 Ų60.155%0.54532%0.323SS..  trans-93.1109179.156.10000110.5
27E83.4Confident83.8Confident61 Ų6156.3 Ų56.329%0.28531%0.305SS..  trans-100.6114.7174.2-150.4-167.8146.700111.1F25 T29 V30 V31F25-E27 HydrophobicContact CD2-CB 4.35Å; F25-E27 HydrophobicContact CE2-CB 3.96Å; F25-E27 HydrophobicContact CE2-CG 4.18Å; E27-T29 VanDerWaalsContact C-N 3.31Å; E27-T29 VanDerWaalsContact CD-OG1 3.24Å; E27-T29 VanDerWaalsContact CG-OG1 3.32Å; E27-T29 WeakPolarHBondContact CG-OG1 3.38Å; E27-T29 PolarHBondContact O-N 3.29Å; E27-T29 PolarHBondContact OE1-OG1 3.09Å; E27-V30 HydrophobicContact CB-CB 4.3Å; E27-V30 HydrophobicContact CB-CG2 4.01Å; E27-V30 HydrophobicContact CG-CG2 4.36Å; E27-V30 PolarHBondContact O-N 3.42Å; E27-V30 WeakPolarHBondContact OE2-CG2 3.44Å; E27-V31 WeakPolarHBondContact O-CG2 3.35Å; E27-V31 PolarHBondContact O-N 3.42Å
28P82.8Confident83.8Confident94 Ų9450.6 Ų50.661%0.6128%0.28SS*.Hα-helixtrans-65.6-30.5-172.9-20.230.9000114.4T32P28-T32 WeakPolarHBondContact O-CB 3.43Å; P28-T32 PolarHBondContact O-N 3.19Å; P28-T32 PolarHBondContact O-OG1 3.34Å
29T84.6Confident83.8Confident71 Ų7150.8 Ų50.844%0.43628%0.284SS..Hα-helixtrans-62.6-50.5176.742.70000110.9E27 V31 T32 A33E27-T29 VanDerWaalsContact C-N 3.31Å; E27-T29 VanDerWaalsContact CD-OG1 3.24Å; E27-T29 VanDerWaalsContact CG-OG1 3.32Å; E27-T29 WeakPolarHBondContact CG-OG1 3.38Å; E27-T29 PolarHBondContact O-N 3.29Å; E27-T29 PolarHBondContact OE1-OG1 3.09Å; T29-V31 PolarHBondContact O-N 3.35Å; T29-T32 PolarHBondContact O-N 3.22Å; T29-A33 WeakPolarHBondContact O-CB 3.37Å; T29-A33 PolarHBondContact O-N 2.66Å
30V85Confident83.8Confident0 Ų057 Ų570%031%0.31CS..Hα-helixtrans-63.2-42.3176.8-179.90000111.1V19 L23 E27 T32 A33 A34 F54 L55 F62V19-V30 HydrophobicContact CG1-CB 4.47Å; V19-V30 HydrophobicContact CG1-CG1 4.37Å; V19-V30 HydrophobicContact CG2-CG1 3.99Å; L23-V30 HydrophobicContact CD1-CG1 4.4Å; L23-V30 HydrophobicContact CD1-CG2 4.3Å; E27-V30 HydrophobicContact CB-CB 4.3Å; E27-V30 HydrophobicContact CB-CG2 4.01Å; E27-V30 HydrophobicContact CG-CG2 4.36Å; E27-V30 PolarHBondContact O-N 3.42Å; E27-V30 WeakPolarHBondContact OE2-CG2 3.44Å; V30-T32 VanDerWaalsContact C-N 3.31Å; V30-T32 PolarHBondContact O-N 3.28Å; V30-A33 PolarHBondContact O-N 3.4Å; V30-A34 WeakPolarHBondContact O-CB 3.21Å; V30-A34 PolarHBondContact O-N 2.85Å; V30-F54 HydrophobicContact CG2-CB 4.09Å; V30-L55 HydrophobicContact CG1-CD1 4.14Å; V30-L55 HydrophobicContact CG1-CD2 4Å; V30-L55 HydrophobicContact CG1-CG 4.29Å; V30-L55 HydrophobicContact CG2-CD2 4.28Å; V30-F62 HydrophobicContact CG1-CE1 4.37Å; V30-F62 HydrophobicContact CG1-CZ 4.15Å
31V87Confident83.6Confident6 Ų652.4 Ų52.44%0.03630%0.3CS..Hα-helixtrans-60.1-42.8176172.40000111.1I15 E16 V19 E27 T29 L35I15-V31 HydrophobicContact CG2-CG1 4.36Å; E16-V31 HydrophobicContact CG-CB 4.42Å; E16-V31 HydrophobicContact CG-CG1 3.62Å; E16-V31 HydrophobicContact CG-CG2 3.9Å; V19-V31 HydrophobicContact CB-CG2 3.96Å; V19-V31 HydrophobicContact CG1-CG2 4.09Å; V19-V31 HydrophobicContact CG2-CG2 3.72Å; E27-V31 WeakPolarHBondContact O-CG2 3.35Å; E27-V31 PolarHBondContact O-N 3.42Å; T29-V31 PolarHBondContact O-N 3.35Å; V31-L35 HydrophobicContact CG1-CD1 4.01Å; V31-L35 WeakPolarHBondContact O-CB 3.47Å; V31-L35 WeakPolarHBondContact O-CG 3.28Å; V31-L35 PolarHBondContact O-N 2.92Å
32T88.5Confident83.7Confident92 Ų9247 Ų4756%0.56428%0.282SS*.Hα-helixtrans-69.7-41.8-179.7-55.30000111.5P28 T29 V30 L35 N36P28-T32 WeakPolarHBondContact O-CB 3.43Å; P28-T32 PolarHBondContact O-N 3.19Å; P28-T32 PolarHBondContact O-OG1 3.34Å; T29-T32 PolarHBondContact O-N 3.22Å; V30-T32 VanDerWaalsContact C-N 3.31Å; V30-T32 PolarHBondContact O-N 3.28Å; T32-L35 PolarHBondContact O-N 3.45Å; T32-N36 WeakPolarHBondContact O-CB 3.27Å; T32-N36 PolarHBondContact O-N 2.85Å
33A86.5Confident83.9Confident11 Ų1149.9 Ų49.99%0.09130%0.296CS..Hα-helixtrans-63.6-43.2174.700000111.8T29 V30 N36 C37 L51 F54T29-A33 WeakPolarHBondContact O-CB 3.37Å; T29-A33 PolarHBondContact O-N 2.66Å; V30-A33 PolarHBondContact O-N 3.4Å; A33-N36 WeakPolarHBondContact O-CB 3.22Å; A33-N36 PolarHBondContact O-N 3.35Å; A33-C37 PolarHBondContact O-N 3.19Å; A33-C37 PolarHBondContact O-SG 2.96Å; A33-L51 HydrophobicContact CB-CD2 3.76Å; A33-F54 HydrophobicContact CB-CD2 4.43Å; A33-F54 HydrophobicContact CB-CE2 4.22Å
34A85Confident84.2Confident0 Ų053 Ų530%031%0.308CS..Hα-helixtrans-64.5-42.2176.700000112.1I15 V30 N36 C37 V38 L51 F62 L66I15-A34 HydrophobicContact CG2-CB 3.81Å; V30-A34 WeakPolarHBondContact O-CB 3.21Å; V30-A34 PolarHBondContact O-N 2.85Å; A34-N36 VanDerWaalsContact C-N 3.3Å; A34-N36 PolarHBondContact O-N 2.96Å; A34-C37 PolarHBondContact O-N 3.18Å; A34-V38 WeakPolarHBondContact O-CG2 3.36Å; A34-V38 PolarHBondContact O-N 3.39Å; A34-L51 HydrophobicContact CB-CD2 4.47Å; A34-F62 HydrophobicContact CB-CE1 4.12Å; A34-F62 HydrophobicContact CB-CZ 4.16Å; A34-L66 HydrophobicContact CB-CD1 4.1Å; A34-L66 HydrophobicContact CB-CD2 3.89Å
35L87.3Confident84.5Confident27 Ų2758.5 Ų58.514%0.14131%0.314CS..Hα-helixtrans-61.1-37.9173.3-84167000112.4L8 K12 I15 V31 T32 G39L8-L35 HydrophobicContact CD2-CD2 4.09Å; K12-L35 HydrophobicContact CB-CD1 4.11Å; K12-L35 HydrophobicContact CB-CD2 4.25Å; K12-L35 HydrophobicContact CD-CD1 4.2Å; K12-L35 HydrophobicContact CG-CD1 3.97Å; I15-L35 HydrophobicContact CD1-CD2 3.49Å; I15-L35 VanDerWaalsContact CD1-CD2 3.49Å; I15-L35 HydrophobicContact CD1-CG 3.92Å; V31-L35 HydrophobicContact CG1-CD1 4.01Å; V31-L35 WeakPolarHBondContact O-CB 3.47Å; V31-L35 WeakPolarHBondContact O-CG 3.28Å; V31-L35 PolarHBondContact O-N 2.92Å; T32-L35 PolarHBondContact O-N 3.45Å; L35-G39 WeakPolarHBondContact O-CA 3.36Å; L35-G39 PolarHBondContact O-N 3.26Å
36N87.1Confident84.8Confident69 Ų6958.8 Ų58.837%0.36932%0.315SS..Hα-helixtrans-69-41.3177.5-162.1-3.4000111.6T32 A33 A34 G39 K40T32-N36 WeakPolarHBondContact O-CB 3.27Å; T32-N36 PolarHBondContact O-N 2.85Å; A33-N36 WeakPolarHBondContact O-CB 3.22Å; A33-N36 PolarHBondContact O-N 3.35Å; A34-N36 VanDerWaalsContact C-N 3.3Å; A34-N36 PolarHBondContact O-N 2.96Å; N36-G39 PolarHBondContact O-N 3.2Å; N36-K40 WeakPolarHBondContact O-CB 3.18Å; N36-K40 WeakPolarHBondContact O-CG 3.18Å; N36-K40 PolarHBondContact O-N 3.43Å; N36-K40 VanDerWaalsContact OD1-CD 3.29Å; N36-K40 WeakPolarHBondContact OD1-CD 3.47Å; N36-K40 WeakPolarHBondContact OD1-CE 3.37Å
37C87.3Confident85.2Confident0 Ų055 Ų550%029%0.289CS..Hα-helixtrans-60.5-46175.3-65.80000111.5A33 A34 G41 M42 A47A33-C37 PolarHBondContact O-N 3.19Å; A33-C37 PolarHBondContact O-SG 2.96Å; A34-C37 PolarHBondContact O-N 3.18Å; C37-G41 PolarHBondContact O-N 3.1Å; C37-M42 HydrophobicContact CB-SD 4.33Å; C37-M42 PolarHBondContact O-N 3.24Å; C37-A47 HydrophobicContact CB-CB 4.19Å
38V84.6Confident85.3Confident7 Ų752.5 Ų52.54%0.04228%0.279CS..Hα-helixtrans-69.6-39.5178.1172.30000111.2L3 L11 I15 A34 G41 L66 V70L3-V38 HydrophobicContact CD1-CG1 3.56Å; L11-V38 HydrophobicContact CD1-CG1 4.24Å; I15-V38 HydrophobicContact CD1-CG2 4.47Å; A34-V38 WeakPolarHBondContact O-CG2 3.36Å; A34-V38 PolarHBondContact O-N 3.39Å; V38-G41 PolarHBondContact O-N 3.06Å; V38-G41 VanDerWaalsContact O-N 3.15Å; V38-L66 HydrophobicContact CG2-CD2 4.09Å; V38-L66 HydrophobicContact CG2-CG 4.23Å; V38-V70 HydrophobicContact CG1-CG1 4.17Å; V38-V70 HydrophobicContact CG1-CG2 4.01Å; V38-V70 HydrophobicContact CG2-CG2 4.07Å
39G84.4Confident85.4Confident9 Ų953.4 Ų53.49%0.09328%0.278CS..Hα-helixtrans-66.5-41.118000000114.2A2 L3 L35 N36 G41A2-G39 VanDerWaalsContact CA-O 3.31Å; A2-G39 WeakPolarHBondContact CA-O 3.48Å; A2-G39 WeakPolarHBondContact CB-O 3.29Å; L3-G39 PolarHBondContact N-O 2.98Å; L35-G39 WeakPolarHBondContact O-CA 3.36Å; L35-G39 PolarHBondContact O-N 3.26Å; N36-G39 PolarHBondContact O-N 3.2Å; G39-G41 PolarHBondContact O-N 3.42Å
40K83.8Confident85.4Confident129 Ų12953.7 Ų53.756%0.56128%0.275SS*.THydrogen-bonded Turntrans-75.6-7.7174-71.1176.9173.6177.20113N36 M42N36-K40 WeakPolarHBondContact O-CB 3.18Å; N36-K40 WeakPolarHBondContact O-CG 3.18Å; N36-K40 PolarHBondContact O-N 3.43Å; N36-K40 VanDerWaalsContact OD1-CD 3.29Å; N36-K40 WeakPolarHBondContact OD1-CD 3.47Å; N36-K40 WeakPolarHBondContact OD1-CE 3.37Å; K40-M42 HydrophobicContact CB-CE 4.06Å; K40-M42 HydrophobicContact CB-CG 4.16Å; K40-M42 HydrophobicContact CD-CE 3.57Å; K40-M42 HydrophobicContact CG-CE 4.43Å
41G81.6Confident85.4Confident34 Ų3453.7 Ų53.735%0.35128%0.275SS..THydrogen-bonded Turntrans64.939.6-179.100000112.6C37 V38 G39C37-G41 PolarHBondContact O-N 3.1Å; V38-G41 PolarHBondContact O-N 3.06Å; V38-G41 VanDerWaalsContact O-N 3.15Å; G39-G41 PolarHBondContact O-N 3.42Å
42M84.8Confident85.3Confident39 Ų3959.5 Ų59.519%0.19230%0.299CS..  trans-67.5145.5177.3-61.6-173.2-170.100111C37 K40 K46 F67C37-M42 HydrophobicContact CB-SD 4.33Å; C37-M42 PolarHBondContact O-N 3.24Å; K40-M42 HydrophobicContact CB-CE 4.06Å; K40-M42 HydrophobicContact CB-CG 4.16Å; K40-M42 HydrophobicContact CD-CE 3.57Å; K40-M42 HydrophobicContact CG-CE 4.43Å; M42-K46 HydrophobicContact CB-CB 4.29Å; M42-F67 VanDerWaalsContact O-CZ 3.26Å; M42-F67 WeakPolarHBondContact O-CZ 3.04Å
43D84.4Confident85Confident100 Ų10059.7 Ų59.754%0.53530%0.303SS..  trans-70.3156173.3-56.2-50.6000111.1K45 K46 A47D43-K45 PolarHBondContact O-N 3Å; D43-K45 VanDerWaalsContact O-N 3.08Å; D43-K46 PolarHBondContact O-N 3.29Å; D43-K46 IonicContact OD2-NZ 3.43Å; D43-A47 PolarHBondContact O-N 3.5Å
44K84.8Confident84.5Confident105 Ų10563.7 Ų63.746%0.45732%0.318SS..Hα-helixtrans-48.1-41.8-178.9-70.6-172.2171.3-161.90113.6A47 A48 V63 D64 F67K44-A47 PolarHBondContact O-N 3.34Å; K44-A48 WeakPolarHBondContact O-CB 3.35Å; K44-A48 PolarHBondContact O-N 2.86Å; K44-V63 HydrophobicContact CB-CG1 4.19Å; K44-V63 HydrophobicContact CG-CG1 4.43Å; K44-D64 IonicContact NZ-OD1 3.36Å; K44-D64 PolarHBondContact NZ-OD1 3.19Å; K44-F67 HydrophobicContact CG-CD1 4.4Å; K44-F67 HydrophobicContact CG-CD2 4Å; K44-F67 HydrophobicContact CG-CE2 4.26Å; K44-F67 HydrophobicContact CG-CG 4.07Å
45K84.4Confident84.2Confident177 Ų17764.1 Ų64.177%0.7732%0.32SS*.Hα-helixtrans-64-47.5178.2-68.7-176.1176.3-179.70112.3D43 A47 A48 D49D43-K45 PolarHBondContact O-N 3Å; D43-K45 VanDerWaalsContact O-N 3.08Å; K45-A47 PolarHBondContact O-N 3.18Å; K45-A48 WeakPolarHBondContact O-CB 3.34Å; K45-A48 PolarHBondContact O-N 3.39Å; K45-D49 PolarHBondContact O-N 3.31Å; K45-D49 VanDerWaalsContact O-N 3.09Å
46K85.3Confident83.8Confident125 Ų12568.5 Ų68.554%0.54334%0.344SS..Hα-helixtrans-68.3-35.5178.8-66175.9-178.61630112.2M42 D43 A48 D49 H50M42-K46 HydrophobicContact CB-CB 4.29Å; D43-K46 PolarHBondContact O-N 3.29Å; D43-K46 IonicContact OD2-NZ 3.43Å; K46-A48 VanDerWaalsContact C-N 3.35Å; K46-D49 PolarHBondContact O-N 2.92Å; K46-H50 WeakPolarHBondContact O-CB 3.32Å; K46-H50 PolarHBondContact O-N 2.7Å; K46-H50 VanDerWaalsContact O-N 3.12Å
47A85.7Confident83.1Confident0 Ų074.6 Ų74.60%037%0.37CS..Hα-helixtrans-66.4-37.717400000111.6C37 D43 K44 K45 H50 L51 V63 F67C37-A47 HydrophobicContact CB-CB 4.19Å; D43-A47 PolarHBondContact O-N 3.5Å; K44-A47 PolarHBondContact O-N 3.34Å; K45-A47 PolarHBondContact O-N 3.18Å; A47-H50 PolarHBondContact O-N 3.24Å; A47-L51 VanDerWaalsContact O-CB 3.27Å; A47-L51 WeakPolarHBondContact O-CB 3.49Å; A47-L51 WeakPolarHBondContact O-CD1 3.47Å; A47-L51 VanDerWaalsContact O-CG 3.28Å; A47-L51 WeakPolarHBondContact O-CG 3.48Å; A47-L51 PolarHBondContact O-N 2.98Å; A47-V63 HydrophobicContact CB-CG1 4.29Å; A47-F67 HydrophobicContact CB-CE2 3.83Å; A47-F67 HydrophobicContact CB-CZ 4.22Å
48A85.5Confident82.6Confident8 Ų876.4 Ų76.47%0.06638%0.383CS..Hα-helixtrans-63.3-47.2173.500000111.4K44 K45 K46 H50 L51 K52 T59 L60 V63K44-A48 WeakPolarHBondContact O-CB 3.35Å; K44-A48 PolarHBondContact O-N 2.86Å; K45-A48 WeakPolarHBondContact O-CB 3.34Å; K45-A48 PolarHBondContact O-N 3.39Å; K46-A48 VanDerWaalsContact C-N 3.35Å; A48-H50 VanDerWaalsContact C-N 3.29Å; A48-H50 PolarHBondContact O-N 3.5Å; A48-L51 PolarHBondContact O-N 3.46Å; A48-K52 WeakPolarHBondContact O-CB 3.25Å; A48-K52 PolarHBondContact O-N 3.31Å; A48-T59 HydrophobicContact CB-CG2 4.17Å; A48-T59 WeakPolarHBondContact O-CG2 3.44Å; A48-L60 HydrophobicContact CB-CD2 4.08Å; A48-V63 HydrophobicContact CB-CG2 4.17Å
49D85.9Confident82.6Confident112 Ų11276.4 Ų76.460%0.59938%0.383SS*.Hα-helixtrans-61.9-37179.1-63.7-31.8000112.7K45 K46K45-D49 PolarHBondContact O-N 3.31Å; K45-D49 VanDerWaalsContact O-N 3.09Å; K46-D49 PolarHBondContact O-N 2.92Å
50H83.8Confident82.4Confident78 Ų7881.8 Ų81.836%0.36141%0.409SS..Hα-helixtrans-76.9-26.4178.8-167.2-65.6000113.5K46 A47 A48K46-H50 WeakPolarHBondContact O-CB 3.32Å; K46-H50 PolarHBondContact O-N 2.7Å; K46-H50 VanDerWaalsContact O-N 3.12Å; A47-H50 PolarHBondContact O-N 3.24Å; A48-H50 VanDerWaalsContact C-N 3.29Å; A48-H50 PolarHBondContact O-N 3.5Å
51L85.3Confident82.4Confident0 Ų085 Ų850%042%0.417CS..Hα-helixtrans-93.7-14178.6-70.3168000112.9A33 A34 A47 A48 P53 F54 L55 T59 F62 V63 L66A33-L51 HydrophobicContact CB-CD2 3.76Å; A34-L51 HydrophobicContact CB-CD2 4.47Å; A47-L51 VanDerWaalsContact O-CB 3.27Å; A47-L51 WeakPolarHBondContact O-CB 3.49Å; A47-L51 WeakPolarHBondContact O-CD1 3.47Å; A47-L51 VanDerWaalsContact O-CG 3.28Å; A47-L51 WeakPolarHBondContact O-CG 3.48Å; A47-L51 PolarHBondContact O-N 2.98Å; A48-L51 PolarHBondContact O-N 3.46Å; L51-P53 VanDerWaalsContact C-CD 3.44Å; L51-F54 PolarHBondContact O-N 3.43Å; L51-L55 HydrophobicContact CB-CD1 4.3Å; L51-L55 PolarHBondContact O-N 3.36Å; L51-T59 HydrophobicContact CB-CG2 4.05Å; L51-F62 HydrophobicContact CD1-CD1 4.09Å; L51-F62 HydrophobicContact CD1-CE1 3.92Å; L51-V63 HydrophobicContact CD1-CG2 3.83Å; L51-L66 HydrophobicContact CD1-CD2 4.21Å
52K85Confident82.6Confident127 Ų12783.3 Ų83.355%0.55240%0.4SS*.Hα-helixtrans-52.1-43.9179.1-164.5174.5-178.1-179.90113.9A48 F54 L55 D56 T59A48-K52 WeakPolarHBondContact O-CB 3.25Å; A48-K52 PolarHBondContact O-N 3.31Å; K52-F54 PolarHBondContact O-N 3.07Å; K52-F54 VanDerWaalsContact O-N 3.1Å; K52-L55 PolarHBondContact O-N 3.26Å; K52-D56 WeakPolarHBondContact O-CA 3.23Å; K52-D56 PolarHBondContact O-N 3.41Å; K52-T59 WeakPolarHBondContact CA-OG1 3.42Å; K52-T59 HydrophobicContact CB-CG2 4.3Å
53P81.9Confident82.8Confident97 Ų9781.7 Ų81.763%0.6339%0.392SS*.Hα-helixtrans-66.5-12.5-179.8-20.934.2000115L51L51-P53 VanDerWaalsContact C-CD 3.44Å
54F77.7Confident82.9Confident94 Ų9480.8 Ų80.841%0.41239%0.388SS..Hα-helixtrans-108-19.3-177.4-57.7-78.2000113.3V30 A33 L51 K52V30-F54 HydrophobicContact CG2-CB 4.09Å; A33-F54 HydrophobicContact CB-CD2 4.43Å; A33-F54 HydrophobicContact CB-CE2 4.22Å; L51-F54 PolarHBondContact O-N 3.43Å; K52-F54 PolarHBondContact O-N 3.07Å; K52-F54 VanDerWaalsContact O-N 3.1Å
55L78.5Confident82.9Confident10 Ų1080.1 Ų80.15%0.05239%0.385CS..Hα-helixtrans-130.6-6.9-168.1-66.1176.6000113.4L23 V30 L51 K52 E57 S58 T59 F62L23-L55 HydrophobicContact CD1-CD2 3.48Å; L23-L55 VanDerWaalsContact CD1-CD2 3.48Å; L23-L55 HydrophobicContact CD2-CD2 3.71Å; L23-L55 HydrophobicContact CG-CD2 3.95Å; V30-L55 HydrophobicContact CG1-CD1 4.14Å; V30-L55 HydrophobicContact CG1-CD2 4Å; V30-L55 HydrophobicContact CG1-CG 4.29Å; V30-L55 HydrophobicContact CG2-CD2 4.28Å; L51-L55 HydrophobicContact CB-CD1 4.3Å; L51-L55 PolarHBondContact O-N 3.36Å; K52-L55 PolarHBondContact O-N 3.26Å; L55-E57 PolarHBondContact O-N 3.03Å; L55-S58 PolarHBondContact O-N 3.43Å; L55-S58 PolarHBondContact O-OG 3.41Å; L55-T59 WeakPolarHBondContact CB-OG1 3.45Å; L55-F62 HydrophobicContact CD1-CB 3.79Å; L55-F62 HydrophobicContact CD1-CD1 3.18Å; L55-F62 HydrophobicContact CD1-CD2 4.25Å; L55-F62 HydrophobicContact CD1-CE1 3.76Å; L55-F62 HydrophobicContact CD1-CG 3.46Å; L55-F62 VanDerWaalsContact CD1-CG 3.46Å
56D78.8Confident82.9Confident119 Ų11971.7 Ų71.764%0.63635%0.348SS*.G310 helixtrans41.1-115.9179.3-66-27.9000112.6K52 S58 T59K52-D56 WeakPolarHBondContact O-CA 3.23Å; K52-D56 PolarHBondContact O-N 3.41Å; D56-S58 VanDerWaalsContact C-N 3.26Å; D56-S58 PolarHBondContact O-N 2.79Å; D56-T59 PolarHBondContact N-OG1 3.03Å; D56-T59 WeakPolarHBondContact O-CB 3.45Å; D56-T59 PolarHBondContact O-N 3.45Å; D56-T59 PolarHBondContact O-OG1 3.49Å
57E71.3Confident83Confident197 Ų19767.7 Ų67.792%0.92133%0.331SS*.G310 helixtrans-66.5-22.9-177.3-68.7-171.9157.700114.1L55 T59L55-E57 PolarHBondContact O-N 3.03Å; E57-T59 VanDerWaalsContact C-N 3.31Å; E57-T59 PolarHBondContact O-N 2.88Å
58S78Confident83Confident38 Ų3873.9 Ų73.927%0.26636%0.36SS..G310 helixtrans-84.1-6.2-177.973.80000113.8L55 D56 L60 R61 F62L55-S58 PolarHBondContact O-N 3.43Å; L55-S58 PolarHBondContact O-OG 3.41Å; D56-S58 VanDerWaalsContact C-N 3.26Å; D56-S58 PolarHBondContact O-N 2.79Å; S58-L60 PolarHBondContact O-N 2.68Å; S58-R61 PolarHBondContact O-N 3.24Å; S58-F62 WeakPolarHBondContact O-CB 3.33Å; S58-F62 PolarHBondContact O-N 3.31Å
59T83Confident82.8Confident6 Ų673.8 Ų73.84%0.03736%0.359CS..Hα-helixtrans-56.7-46.9-172.1-56.10000113.4A48 L51 K52 L55 D56 E57 F62 V63A48-T59 HydrophobicContact CB-CG2 4.17Å; A48-T59 WeakPolarHBondContact O-CG2 3.44Å; L51-T59 HydrophobicContact CB-CG2 4.05Å; K52-T59 WeakPolarHBondContact CA-OG1 3.42Å; K52-T59 HydrophobicContact CB-CG2 4.3Å; L55-T59 WeakPolarHBondContact CB-OG1 3.45Å; D56-T59 PolarHBondContact N-OG1 3.03Å; D56-T59 WeakPolarHBondContact O-CB 3.45Å; D56-T59 PolarHBondContact O-N 3.45Å; D56-T59 PolarHBondContact O-OG1 3.49Å; E57-T59 VanDerWaalsContact C-N 3.31Å; E57-T59 PolarHBondContact O-N 2.88Å; T59-F62 PolarHBondContact O-N 2.93Å; T59-V63 HydrophobicContact CG2-CG2 4.36Å; T59-V63 WeakPolarHBondContact O-CB 3.07Å; T59-V63 VanDerWaalsContact O-CG2 3.28Å; T59-V63 WeakPolarHBondContact O-CG2 3.4Å; T59-V63 PolarHBondContact O-N 3.35Å
60L81.8Confident82.5Confident123 Ų12368.8 Ų68.864%0.64433%0.332SS*.Hα-helixtrans-65-45.7-177.3-67173.1000111.5A48 S58 F62 V63 D64A48-L60 HydrophobicContact CB-CD2 4.08Å; S58-L60 PolarHBondContact O-N 2.68Å; L60-F62 VanDerWaalsContact C-N 3.31Å; L60-F62 PolarHBondContact O-N 3.27Å; L60-V63 PolarHBondContact O-N 2.83Å; L60-D64 PolarHBondContact O-N 3.03Å
61R82.6Confident82.3Confident195 Ų19571.2 Ų71.274%0.73634%0.344SS*.Hα-helixtrans-64.9-35.8176.9-70.4-172176.9-156.4-0.6112S58 K65S58-R61 PolarHBondContact O-N 3.24Å; R61-K65 WeakPolarHBondContact O-CG 3.27Å; R61-K65 PolarHBondContact O-N 3.47Å
62F86.1Confident81.9Confident0 Ų076.6 Ų76.60%037%0.369CS..Hα-helixtrans-68-46.8176177.6-101.6000111.6T18 V19 V22 V30 A34 L51 L55 S58 T59 L60 D64 K65 L66T18-F62 HydrophobicContact CG2-CE2 4.34Å; V19-F62 HydrophobicContact CB-CE2 4.33Å; V19-F62 HydrophobicContact CG2-CE2 3.56Å; V19-F62 HydrophobicContact CG2-CZ 3.53Å; V22-F62 HydrophobicContact CB-CD2 3.96Å; V22-F62 HydrophobicContact CG1-CB 4.16Å; V22-F62 HydrophobicContact CG1-CD2 4.04Å; V22-F62 HydrophobicContact CG2-CD2 4.06Å; V30-F62 HydrophobicContact CG1-CE1 4.37Å; V30-F62 HydrophobicContact CG1-CZ 4.15Å; A34-F62 HydrophobicContact CB-CE1 4.12Å; A34-F62 HydrophobicContact CB-CZ 4.16Å; L51-F62 HydrophobicContact CD1-CD1 4.09Å; L51-F62 HydrophobicContact CD1-CE1 3.92Å; L55-F62 HydrophobicContact CD1-CB 3.79Å; L55-F62 HydrophobicContact CD1-CD1 3.18Å; L55-F62 HydrophobicContact CD1-CD2 4.25Å; L55-F62 HydrophobicContact CD1-CE1 3.76Å; L55-F62 HydrophobicContact CD1-CG 3.46Å; L55-F62 VanDerWaalsContact CD1-CG 3.46Å; S58-F62 WeakPolarHBondContact O-CB 3.33Å; S58-F62 PolarHBondContact O-N 3.31Å; T59-F62 PolarHBondContact O-N 2.93Å; L60-F62 VanDerWaalsContact C-N 3.31Å; L60-F62 PolarHBondContact O-N 3.27Å; F62-D64 PolarHBondContact O-N 2.99Å; F62-K65 PolarHBondContact O-N 3.29Å; F62-L66 HydrophobicContact CE1-CB 4.41Å; F62-L66 HydrophobicContact CE1-CD2 4.03Å; F62-L66 HydrophobicContact CZ-CD1 4.3Å; F62-L66 VanDerWaalsContact O-CB 3.23Å; F62-L66 WeakPolarHBondContact O-CB 3.42Å; F62-L66 PolarHBondContact O-N 2.96Å
63V88.2Confident81.1Confident4 Ų470.9 Ų70.92%0.02435%0.346CS..Hα-helixtrans-62-42.3-180170.50000111.3K44 A47 A48 L51 T59 L60 K65 L66 F67K44-V63 HydrophobicContact CB-CG1 4.19Å; K44-V63 HydrophobicContact CG-CG1 4.43Å; A47-V63 HydrophobicContact CB-CG1 4.29Å; A48-V63 HydrophobicContact CB-CG2 4.17Å; L51-V63 HydrophobicContact CD1-CG2 3.83Å; T59-V63 HydrophobicContact CG2-CG2 4.36Å; T59-V63 WeakPolarHBondContact O-CB 3.07Å; T59-V63 VanDerWaalsContact O-CG2 3.28Å; T59-V63 WeakPolarHBondContact O-CG2 3.4Å; T59-V63 PolarHBondContact O-N 3.35Å; L60-V63 PolarHBondContact O-N 2.83Å; V63-K65 PolarHBondContact O-N 3.06Å; V63-L66 WeakPolarHBondContact O-CB 3.36Å; V63-L66 PolarHBondContact O-N 2.88Å; V63-F67 HydrophobicContact CG1-CD2 3.86Å; V63-F67 HydrophobicContact CG1-CE2 3.95Å; V63-F67 WeakPolarHBondContact O-CD2 3.19Å; V63-F67 PolarHBondContact O-N 3.26Å
64D86.8Confident80.7Confident81 Ų8171.7 Ų71.743%0.43334%0.337SS..Hα-helixtrans-62.3-46.2176.8-81.9-37.6000112.4K44 L60 F62 L66 F67 E68K44-D64 IonicContact NZ-OD1 3.36Å; K44-D64 PolarHBondContact NZ-OD1 3.19Å; L60-D64 PolarHBondContact O-N 3.03Å; F62-D64 PolarHBondContact O-N 2.99Å; D64-L66 VanDerWaalsContact C-N 3.31Å; D64-L66 PolarHBondContact O-N 3.16Å; D64-F67 PolarHBondContact O-N 3.21Å; D64-E68 WeakPolarHBondContact O-CB 3.4Å; D64-E68 PolarHBondContact O-N 3.38Å
65K84.7Confident80.1Confident91 Ų9170.9 Ų70.940%0.39634%0.343SS..Hα-helixtrans-65.9-32.3176-73178.6177178.60112.9T18 V22 R61 F62 V63 A69T18-K65 HydrophobicContact CG2-CB 4.08Å; V22-K65 HydrophobicContact CG2-CD 3.73Å; R61-K65 WeakPolarHBondContact O-CG 3.27Å; R61-K65 PolarHBondContact O-N 3.47Å; F62-K65 PolarHBondContact O-N 3.29Å; V63-K65 PolarHBondContact O-N 3.06Å; K65-A69 VanDerWaalsContact O-CB 3.27Å; K65-A69 WeakPolarHBondContact O-CB 3.39Å; K65-A69 PolarHBondContact O-N 3.49Å
66L85.8Confident79.4Confident0 Ų072.9 Ų72.90%036%0.357CS..Hα-helixtrans-65.7-48.8177.5178.669.3000110.7I15 A34 V38 L51 F62 V63 D64 A69 V70I15-L66 HydrophobicContact CB-CD1 4.3Å; I15-L66 HydrophobicContact CD1-CD1 4.32Å; I15-L66 HydrophobicContact CG1-CD1 3.77Å; I15-L66 HydrophobicContact CG2-CD1 3.87Å; A34-L66 HydrophobicContact CB-CD1 4.1Å; A34-L66 HydrophobicContact CB-CD2 3.89Å; V38-L66 HydrophobicContact CG2-CD2 4.09Å; V38-L66 HydrophobicContact CG2-CG 4.23Å; L51-L66 HydrophobicContact CD1-CD2 4.21Å; F62-L66 HydrophobicContact CE1-CB 4.41Å; F62-L66 HydrophobicContact CE1-CD2 4.03Å; F62-L66 HydrophobicContact CZ-CD1 4.3Å; F62-L66 VanDerWaalsContact O-CB 3.23Å; F62-L66 WeakPolarHBondContact O-CB 3.42Å; F62-L66 PolarHBondContact O-N 2.96Å; V63-L66 WeakPolarHBondContact O-CB 3.36Å; V63-L66 PolarHBondContact O-N 2.88Å; D64-L66 VanDerWaalsContact C-N 3.31Å; D64-L66 PolarHBondContact O-N 3.16Å; L66-A69 PolarHBondContact O-N 2.75Å; L66-V70 VanDerWaalsContact O-CG2 3.25Å; L66-V70 WeakPolarHBondContact O-CG2 3.28Å; L66-V70 PolarHBondContact O-N 2.92Å
67F86.9Confident78.5Confident42 Ų4270.8 Ų70.818%0.18434%0.341CS..Hα-helixtrans-69.7-36179-83.4-93.8000111.9M42 K44 A47 V63 D64 V70 E71M42-F67 VanDerWaalsContact O-CZ 3.26Å; M42-F67 WeakPolarHBondContact O-CZ 3.04Å; K44-F67 HydrophobicContact CG-CD1 4.4Å; K44-F67 HydrophobicContact CG-CD2 4Å; K44-F67 HydrophobicContact CG-CE2 4.26Å; K44-F67 HydrophobicContact CG-CG 4.07Å; A47-F67 HydrophobicContact CB-CE2 3.83Å; A47-F67 HydrophobicContact CB-CZ 4.22Å; V63-F67 HydrophobicContact CG1-CD2 3.86Å; V63-F67 HydrophobicContact CG1-CE2 3.95Å; V63-F67 WeakPolarHBondContact O-CD2 3.19Å; V63-F67 PolarHBondContact O-N 3.26Å; D64-F67 PolarHBondContact O-N 3.21Å; F67-V70 PolarHBondContact O-N 2.71Å; F67-E71 PolarHBondContact O-N 2.86Å
68E85.8Confident77.7Confident129 Ų12968.4 Ų68.460%0.60333%0.329SS*.Hα-helixtrans-61.2-46.2172.2-171.5179.8-170.900111.6D64 V70 E71 E72D64-E68 WeakPolarHBondContact O-CB 3.4Å; D64-E68 PolarHBondContact O-N 3.38Å; E68-V70 VanDerWaalsContact C-N 3.31Å; E68-V70 PolarHBondContact O-N 2.9Å; E68-E71 PolarHBondContact O-N 3.38Å; E68-E72 WeakPolarHBondContact O-CB 3.29Å; E68-E72 PolarHBondContact O-N 3.5Å
69A80.4Confident76.5Confident6 Ų670.6 Ų70.65%0.0534%0.344CS..Hα-helixtrans-64.4-33.9176.800000112.9T18 K65 L66 G73T18-A69 WeakPolarHBondContact OG1-CB 3.41Å; K65-A69 VanDerWaalsContact O-CB 3.27Å; K65-A69 WeakPolarHBondContact O-CB 3.39Å; K65-A69 PolarHBondContact O-N 3.49Å; L66-A69 PolarHBondContact O-N 2.75Å; A69-G73 PolarHBondContact O-N 3.23Å
70V80.1Confident75Confident7 Ų777.6 Ų77.64%0.04237%0.374CS..Hα-helixtrans-71.1-38.9175.2170.60000111.3L11 V38 L66 F67 E68 G73 R74L11-V70 HydrophobicContact CD1-CG1 4.22Å; L11-V70 HydrophobicContact CD2-CG1 4.37Å; L11-V70 HydrophobicContact CD2-CG2 4.43Å; V38-V70 HydrophobicContact CG1-CG1 4.17Å; V38-V70 HydrophobicContact CG1-CG2 4.01Å; V38-V70 HydrophobicContact CG2-CG2 4.07Å; L66-V70 VanDerWaalsContact O-CG2 3.25Å; L66-V70 WeakPolarHBondContact O-CG2 3.28Å; L66-V70 PolarHBondContact O-N 2.92Å; F67-V70 PolarHBondContact O-N 2.71Å; E68-V70 VanDerWaalsContact C-N 3.31Å; E68-V70 PolarHBondContact O-N 2.9Å; V70-G73 PolarHBondContact O-N 3.06Å; V70-R74 WeakPolarHBondContact O-CB 3.41Å; V70-R74 WeakPolarHBondContact O-CG 3.38Å; V70-R74 PolarHBondContact O-N 3.14Å
71E80.3Confident73.3Confident129 Ų12973.9 Ų73.960%0.60336%0.359SS*.Hα-helixtrans-68.6-39.3174.2-76.8-165.515600112.6F67 E68 R74 S75F67-E71 PolarHBondContact O-N 2.86Å; E68-E71 PolarHBondContact O-N 3.38Å; E71-R74 PolarHBondContact O-N 2.63Å; E71-S75 WeakPolarHBondContact O-CB 3.29Å; E71-S75 PolarHBondContact O-N 3.01Å; E71-S75 PolarHBondContact O-OG 3.41Å
72E76.9Confident71.2Confident113 Ų11368.7 Ų68.753%0.52835%0.352SS..Hα-helixtrans-63.9-43.6173.9-166.1-176.6-175.800110.7E68 R74 S75 S76E68-E72 WeakPolarHBondContact O-CB 3.29Å; E68-E72 PolarHBondContact O-N 3.5Å; E72-R74 VanDerWaalsContact C-N 3.3Å; E72-R74 PolarHBondContact O-N 3.22Å; E72-S75 PolarHBondContact O-N 2.91Å; E72-S76 WeakPolarHBondContact O-CB 3.36Å; E72-S76 PolarHBondContact O-N 3.26Å
73G68.6Low69.3Low7 Ų771.8 Ų71.87%0.07237%0.374CS..Hα-helixtrans-59.6-36.7173.300000113.2A69 V70A69-G73 PolarHBondContact O-N 3.23Å; V70-G73 PolarHBondContact O-N 3.06Å
74R71.8Confident67.1Low114 Ų11476.1 Ų76.143%0.4340%0.397SS..Hα-helixtrans-74.1-40.7174.3-77.9174.1155.8176.3-5.8112.8V70 E71 E72 S76 R77 H78V70-R74 WeakPolarHBondContact O-CB 3.41Å; V70-R74 WeakPolarHBondContact O-CG 3.38Å; V70-R74 PolarHBondContact O-N 3.14Å; E71-R74 PolarHBondContact O-N 2.63Å; E72-R74 VanDerWaalsContact C-N 3.3Å; E72-R74 PolarHBondContact O-N 3.22Å; R74-S76 VanDerWaalsContact C-N 3.32Å; R74-S76 PolarHBondContact O-N 3.23Å; R74-R77 VanDerWaalsContact O-CB 3.29Å; R74-R77 WeakPolarHBondContact O-CB 3.35Å; R74-R77 PolarHBondContact O-N 2.86Å; R74-H78 PolarHBondContact O-N 3.24Å
75S66.6Low65Low78 Ų7881.7 Ų81.755%0.54541%0.412SS..Hα-helixtrans-66.4-35.4179-61.20000112.1E71 E72 R77 H78 S79E71-S75 WeakPolarHBondContact O-CB 3.29Å; E71-S75 PolarHBondContact O-N 3.01Å; E71-S75 PolarHBondContact O-OG 3.41Å; E72-S75 PolarHBondContact O-N 2.91Å; S75-R77 VanDerWaalsContact C-N 3.26Å; S75-R77 PolarHBondContact O-N 3.12Å; S75-H78 PolarHBondContact O-N 3.06Å; S75-S79 PolarHBondContact O-N 3.02Å
76S63.6Low62.9Low51 Ų5181.7 Ų81.736%0.35742%0.423SS..Hα-helixtrans-53.8-37.9167.8153.70000112.8E72 R74 S79 K80E72-S76 WeakPolarHBondContact O-CB 3.36Å; E72-S76 PolarHBondContact O-N 3.26Å; R74-S76 VanDerWaalsContact C-N 3.32Å; R74-S76 PolarHBondContact O-N 3.23Å; S76-S79 PolarHBondContact O-OG 3.47Å; S76-K80 PolarHBondContact O-N 3.39Å
77R60Low61Low75 Ų7590.6 Ų90.628%0.28346%0.457SS..Hα-helixtrans-67.7-36.5175.2-63.8176.3167.5174.9-0.7112.3E7 E10 R74 S75 K80 S81E7-R77 IonicContact OE1-NH1 2.73Å; E7-R77 PolarHBondContact OE1-NH1 3.47Å; E10-R77 IonicContact OE2-CZ 3.69Å; E10-R77 IonicContact OE2-NE 3Å; E10-R77 PolarHBondContact OE2-NE 3.01Å; E10-R77 IonicContact OE2-NH2 2.86Å; E10-R77 PolarHBondContact OE2-NH2 3.23Å; R74-R77 VanDerWaalsContact O-CB 3.29Å; R74-R77 WeakPolarHBondContact O-CB 3.35Å; R74-R77 PolarHBondContact O-N 2.86Å; S75-R77 VanDerWaalsContact C-N 3.26Å; S75-R77 PolarHBondContact O-N 3.12Å; R77-K80 PolarHBondContact O-N 3.34Å; R77-S81 PolarHBondContact O-N 3.38Å
78H54Low58.9Low148 Ų14895.9 Ų95.969%0.68548%0.48SS*.Hα-helixtrans-68.7-36-178.7-136.262.6000111.9R74 S75 S81 S82R74-H78 PolarHBondContact O-N 3.24Å; S75-H78 PolarHBondContact O-N 3.06Å; H78-S81 PolarHBondContact O-N 2.86Å; H78-S81 PolarHBondContact O-OG 2.93Å; H78-S81 VanDerWaalsContact O-OG 3.12Å; H78-S82 PolarHBondContact O-N 3.41Å
79S52.9Low56.7Low83 Ų83100.8 Ų100.858%0.5849%0.493SS*.Hα-helixtrans-67.2-35.6174.875.40000113.3S75 S76S75-S79 PolarHBondContact O-N 3.02Å; S76-S79 PolarHBondContact O-OG 3.47Å
80K50.5Low54.8Low153 Ų153109.3 Ų109.367%0.66553%0.532SS*.Hα-helixtrans-72.5-34.1173.6-103.3169.3177.3160.70113S76 R77 D84S76-K80 PolarHBondContact O-N 3.39Å; R77-K80 PolarHBondContact O-N 3.34Å; K80-D84 PolarHBondContact O-N 3.32Å
81S46.5Very low52.9Low46 Ų46116.4 Ų116.432%0.32257%0.568SS.*Hα-helixtrans-72.9-29.6-179.683.70000113.7R77 H78 R85R77-S81 PolarHBondContact O-N 3.38Å; H78-S81 PolarHBondContact O-N 2.86Å; H78-S81 PolarHBondContact O-OG 2.93Å; H78-S81 VanDerWaalsContact O-OG 3.12Å; S81-R85 WeakPolarHBondContact O-CB 3.4Å; S81-R85 WeakPolarHBondContact O-CG 3.27Å; S81-R85 PolarHBondContact O-N 3.01Å
82S39Very low50.9Low85 Ų85119.1 Ų119.159%0.59458%0.578SS**Hα-helixtrans-71.5-39.2176.4-170.80000112.2H78 D84 S86H78-S82 PolarHBondContact O-N 3.41Å; S82-D84 VanDerWaalsContact C-N 3.34Å; S82-D84 PolarHBondContact O-N 3.27Å; S82-S86 PolarHBondContact O-N 3.38Å
83S45.3Very low49.2Very low65 Ų65122.7 Ų122.746%0.45560%0.595SS.*Hα-helixtrans-65.1-32.6174.4171.30000113.3
84D42.1Very low48.1Very low95 Ų95127.7 Ų127.751%0.50862%0.624SS.*Hα-helixtrans-90-26.9-178.8-106.7-34.7000113.4K80 S82 R87 K88K80-D84 PolarHBondContact O-N 3.32Å; S82-D84 VanDerWaalsContact C-N 3.34Å; S82-D84 PolarHBondContact O-N 3.27Å; D84-R87 PolarHBondContact O-N 3.32Å; D84-K88 PolarHBondContact O-N 3.04Å
85R42.8Very low46.4Very low199 Ų199131.8 Ų131.875%0.75165%0.645SS**Hα-helixtrans-71.2-34.4172.9-80.9-178.3166.3-174.3-3.2112.5S81 R87 K88 R89S81-R85 WeakPolarHBondContact O-CB 3.4Å; S81-R85 WeakPolarHBondContact O-CG 3.27Å; S81-R85 PolarHBondContact O-N 3.01Å; R85-R87 VanDerWaalsContact C-N 3.32Å; R85-R87 PolarHBondContact O-N 2.82Å; R85-K88 PolarHBondContact O-N 3.46Å; R85-R89 PolarHBondContact O-N 3.24Å
86S40.4Very low45.1Very low90 Ų90131.9 Ų131.963%0.62966%0.659SS**Hα-helixtrans-66.2-32.1174.6170.70000112.7S82S82-S86 PolarHBondContact O-N 3.38Å
87R47.4Very low43.6Very low188 Ų188136.9 Ų136.971%0.70968%0.681SS**Hα-helixtrans-86.1-14.3177.7-75.6-178.9176.8159.21.7114.9D84 R85D84-R87 PolarHBondContact O-N 3.32Å; R85-R87 VanDerWaalsContact C-N 3.32Å; R85-R87 PolarHBondContact O-N 2.82Å
88K41.2Very low42.4Very low153 Ų153140.4 Ų140.467%0.66571%0.706SS**Hα-helixtrans-95.5-15.7178.4-85.1-177.7174.2177.40114.9D84 R85D84-K88 PolarHBondContact O-N 3.04Å; R85-K88 PolarHBondContact O-N 3.46Å
89R40.2Very low41.4Very low232 Ų232138.7 Ų138.788%0.87571%0.71SS**SBendtrans-78.3-20.9175.5-116.4178-168.9171.12.4114R85R85-R89 PolarHBondContact O-N 3.24Å
90E39.7Very low40.5Very low185 Ų185143.2 Ų143.286%0.86472%0.722SS**SBendtrans-92.3-6.1177-87.6-170151.100114.9
91L41.3Very low39.6Very low155 Ų155142.9 Ų142.981%0.81273%0.726SS**SBendtrans-112.84.6-177.1-135.590.8000114.4
92K38.2Very low38.8Very low187 Ų187145.3 Ų145.381%0.81374%0.743SS**SBendtrans-112.224.6-173.2-157.3165.9177.91770114.8
93E41.2Very low38.4Very low187 Ų187149.7 Ų149.787%0.87475%0.751SS**SBendtrans-120.820.9171.8-81.5-159.2170.600114.5
94V46.1Very low37.6Very low113 Ų113154.1 Ų154.169%0.68577%0.765SS**SBendtrans-129.2-13-178.1-175.10000115.9
95F35.4Very low37Very low200 Ų200154 Ų15488%0.87777%0.771SS**SBendtrans-137.7114.7171.8-76.1-79.6000110.8
96G38.3Very low36.5Very low80 Ų80150.1 Ų150.183%0.82578%0.775SS**  trans-65.3156.7174.100000112.4
97D33.3Very low36Very low156 Ų156149.3 Ų149.383%0.83478%0.781SS**  trans-59.5139.2179.1-160.417.9000112.6
98D35.2Very low35.3Very low149 Ų149146.6 Ų146.680%0.79779%0.785SS**  trans-167.8141.9131.5-123.8-41000113.4
99S31.3Very low35Very low112 Ų112148.9 Ų148.978%0.78380%0.795SS**  trans82.3120163.9-78.80000122.6
100E34.6Very low34.6Very low178 Ų178147.5 Ų147.583%0.83280%0.795SS**  trans-63.5170.8167.4-64-161.2136.200115.3
101I31.5Very low34.2Very low146 Ų146150.4 Ų150.475%0.74980%0.798SS**  trans124.7103146.3-65.9170.8000116.1
102S30.4Very low33.6Very low97 Ų97154.8 Ų154.868%0.67880%0.804SS**  trans53.7121135.681.10000124
103K30.4Very low33.3Very low176 Ų176153.4 Ų153.477%0.76580%0.804SS**  66135.1124.5-87.1-172.8172.5-168.70123.1
104E28.7Very low33.1Very low159 Ų159150.4 Ų150.474%0.74380%0.8SS**  trans66.8150.1147.3-71.2177.4-159.100117.3
105S29.6Very low32.3Very low91 Ų91156.9 Ų156.964%0.63681%0.813SS**  cis-175.9174.6-19.658.60000105.1
106S31Very low31.9Very low118 Ų118155.7 Ų155.783%0.82581%0.807SS**  trans76.5119164.983.50000118
107G30.4Very low31.6Very low73 Ų73158.6 Ų158.675%0.75380%0.799SS**  trans-104157.6165.100000111
108V33.4Very low31.6Very low131 Ų131158.7 Ų158.779%0.79480%0.795SS**  trans-146.6126.6157.1177.80000109.4K110V108-K110 HydrophobicContact CG1-CG 4.44Å
109K33.5Very low31.5Very low202 Ų202157.2 Ų157.288%0.87879%0.791SS**  trans-76.7134.2166.9-64172.1177.8173.50108.9
110K32Very low31.7Very low203 Ų203161.4 Ų161.488%0.88380%0.798SS**  trans-134.6137.9155.3-81.7-168.9179.51770112.6V108V108-K110 HydrophobicContact CG1-CG 4.44Å
111R31.5Very low31.6Very low245 Ų245161.6 Ų161.693%0.92580%0.799SS**  trans-79.9151.1-170.5-69174165.5-169.7-4.7111.4
112R28.7Very low31.7Very low248 Ų248162.4 Ų162.494%0.93680%0.8SS**  trans-74.9142.5164.8-87.4176.9160.9-174.4-6.7111
113I32.3Very low32.3Very low158 Ų158163.8 Ų163.881%0.8181%0.806SS**  trans-133.4138.4154.5-61.7177000106.7
114P37.5Very low32.5Very low123 Ų123163 Ų16380%0.79981%0.806SS**  trans-92.9152.1-174.436-29.5000112.2
115R28.7Very low32.8Very low250 Ų250162.1 Ų162.194%0.94381%0.811SS**  trans-115.1132173.5-173.4172.1-179164.90109.3
116F26.8Very low33.2Very low174 Ų174165.2 Ų165.276%0.76382%0.818SS**  trans-116.1168.2175.7-168.4-100000108.8
117E32.1Very low33.6Very low141 Ų141165.4 Ų165.466%0.65982%0.817SS**  trans74.5138.6169.6-100.6148.5-163.900117.1
118E33.6Very low33.9Very low158 Ų158165.3 Ų165.374%0.73882%0.815SS**  cis-16714712.8-151.6161.8-165.300111
119V33.8Very low34.5Very low118 Ų118165.1 Ų165.172%0.71582%0.817SS**  trans14.1135.9148.2-173.20000122.1
120E34.1Very low35Very low201 Ų201161.4 Ų161.494%0.93981%0.814SS**  trans-158.7139.7131-113175.3-17100112.2
121E33.6Very low35.5Very low181 Ų181157.6 Ų157.685%0.84681%0.813SS**  trans-86.9150.3-171.4-73.5173.8137.600114.4
122E33.3Very low35.9Very low163 Ų163155.3 Ų155.376%0.76281%0.812SS**  trans8.5155.9147.3-96.8-173.8-157.500123.8
123P42Very low36.4Very low126 Ų126149 Ų14982%0.81881%0.806SS**  -148173.863.237-13.9000120
124E35.8Very low37.2Very low161 Ų161147.5 Ų147.575%0.75281%0.807SS**  trans-57.6145.2-173-54178.5135.900118.2
125V33.9Very low38Very low140 Ų140145 Ų14585%0.84880%0.803SS**  trans-151.9126.5144.9-175.60000110.4
126I39.2Very low39Very low156 Ų156141.6 Ų141.680%0.880%0.8SS**  trans-100.7136.1168.6-61.7164.7000107.9
127P38.8Very low40.8Very low122 Ų122139.1 Ų139.179%0.79279%0.794SS**  -152.3142103.633.4-12.2000117.8
128G36.6Very low42.8Very low70 Ų70136.1 Ų136.172%0.72279%0.786SS**  trans102.2120.7137.500000119.9
129P46.1Very low44.1Very low127 Ų127137.8 Ų137.883%0.82579%0.791SS**PPolyproline II helixtrans-88.2162.8173.834.9-31.3000114
130P44.7Very low46Very low125 Ų125138 Ų13881%0.81279%0.787SS**PPolyproline II helixtrans-92.2167.1-155.736.9-35.6000115.6
131S41.2Very low47.8Very low123 Ų123133 Ų13386%0.8676%0.763SS**PPolyproline II helixtrans-77.8138174.647.80000113.3
132E41.2Very low49.5Very low197 Ų197128.3 Ų128.392%0.92174%0.744SS**  trans-111.4140.6171.7-72.4-175.9164.700110.6
133S38.3Very low51.5Low114 Ų114127.2 Ų127.280%0.79774%0.736SS**  trans-147.2165.7166.767.20000108.5
134P48.8Very low53.5Low128 Ų128126.8 Ų126.883%0.83172%0.723SS**SBend-122.5122.8-73.125.7-8.2000110.4
135G55.2Low55.2Low70 Ų70125 Ų12572%0.72272%0.716SS**  trans17312.6177.200000118.5
136M49.7Very low57Low179 Ų179124.7 Ų124.788%0.88271%0.707SS**SBendtrans-132.4132178.7-73.1-8492.100111T138M136-T138 PolarHBondContact O-N 3.36Å
137L64.4Low59Low121 Ų121122.8 Ų122.863%0.63470%0.695SS**  trans-50.8133173.9-80.6150.2000110.5
138T73.9Confident61Low79 Ų79119.7 Ų119.749%0.48568%0.68SS.*  trans-62.5144.8-173.558.50000111.6M136 L140 Q141 I142M136-T138 PolarHBondContact O-N 3.36Å; T138-L140 PolarHBondContact O-N 3.38Å; T138-Q141 PolarHBondContact O-N 2.94Å; T138-Q141 PolarHBondContact OG1-OE1 3.31Å; T138-Q141 VanDerWaalsContact OG1-OE1 3.06Å; T138-I142 PolarHBondContact O-N 3.29Å
139K61.7Low62.7Low193 Ų193118.8 Ų118.884%0.83967%0.665SS**Hα-helixtrans-51.7-26.8176-79.6178.7177.5171.80113K143K139-K143 WeakPolarHBondContact O-CB 3.48Å; K139-K143 PolarHBondContact O-N 2.95Å; K139-K143 VanDerWaalsContact O-N 3.12Å
140L74Confident64Low122 Ų122116.6 Ų116.664%0.63965%0.65SS**Hα-helixtrans-70.3-39177.3-156.176.6000112.5T138 K143 Q144T138-L140 PolarHBondContact O-N 3.38Å; L140-K143 PolarHBondContact O-N 2.96Å; L140-Q144 WeakPolarHBondContact O-CG 3.39Å; L140-Q144 PolarHBondContact O-N 2.98Å
141Q71.4Confident65.9Low95 Ų95119.5 Ų119.544%0.44464%0.644SS.*Hα-helixtrans-71.6-35.2176.7-79.3168.6-46.400112.4T138 M145T138-Q141 PolarHBondContact O-N 2.94Å; T138-Q141 PolarHBondContact OG1-OE1 3.31Å; T138-Q141 VanDerWaalsContact OG1-OE1 3.06Å; Q141-M145 WeakPolarHBondContact O-CB 3.38Å; Q141-M145 PolarHBondContact O-N 2.74Å; Q141-M145 VanDerWaalsContact O-N 3.09Å
142I68.5Low67.6Low84 Ų84119.7 Ų119.743%0.43163%0.632SS.*Hα-helixtrans-68.7-37.5175.1-61.6168.5000110.7T138 M145 M146T138-I142 PolarHBondContact O-N 3.29Å; I142-M145 PolarHBondContact O-N 3.44Å; I142-M146 PolarHBondContact O-N 2.97Å
143K76Confident69Low139 Ų139115.6 Ų115.660%0.60462%0.615SS**Hα-helixtrans-63.9-46.4175.2-171.8177177.6-174.80111.6K139 L140 M145 M146 E147K139-K143 WeakPolarHBondContact O-CB 3.48Å; K139-K143 PolarHBondContact O-N 2.95Å; K139-K143 VanDerWaalsContact O-N 3.12Å; L140-K143 PolarHBondContact O-N 2.96Å; K143-M145 VanDerWaalsContact C-N 3.31Å; K143-M145 PolarHBondContact O-N 3.09Å; K143-M146 PolarHBondContact O-N 3.41Å; K143-E147 VanDerWaalsContact O-CB 3.27Å; K143-E147 WeakPolarHBondContact O-CB 3.46Å; K143-E147 PolarHBondContact O-N 3.3Å
144Q83.6Confident70.7Confident117 Ų117116.9 Ų116.955%0.54761%0.608SS.*Hα-helixtrans-62.3-36.6176.9-75176.6-13.800112.8L140 E147 A148L140-Q144 WeakPolarHBondContact O-CG 3.39Å; L140-Q144 PolarHBondContact O-N 2.98Å; Q144-E147 PolarHBondContact O-N 2.71Å; Q144-A148 WeakPolarHBondContact O-CB 3.15Å; Q144-A148 PolarHBondContact O-N 3.1Å
145M72.7Confident72.3Confident123 Ų123116.7 Ų116.761%0.60660%0.596SS**Hα-helixtrans-69.4-41.2178.1-162.4-167.5-33.700112.6Q141 I142 K143 A149Q141-M145 WeakPolarHBondContact O-CB 3.38Å; Q141-M145 PolarHBondContact O-N 2.74Å; Q141-M145 VanDerWaalsContact O-N 3.09Å; I142-M145 PolarHBondContact O-N 3.44Å; K143-M145 VanDerWaalsContact C-N 3.31Å; K143-M145 PolarHBondContact O-N 3.09Å; M145-A149 WeakPolarHBondContact O-CB 3.48Å; M145-A149 PolarHBondContact O-N 2.88Å; M145-A149 VanDerWaalsContact O-N 3.09Å
146M72.1Confident72.7Confident135 Ų135121.9 Ų121.967%0.66559%0.594SS**Hα-helixtrans-67.5-38.2173.6-87.4-171.7-178.200112I142 K143 A149 T150I142-M146 PolarHBondContact O-N 2.97Å; K143-M146 PolarHBondContact O-N 3.41Å; M146-A149 PolarHBondContact O-N 3.19Å; M146-T150 WeakPolarHBondContact O-CG2 3.5Å; M146-T150 PolarHBondContact O-N 2.96Å; M146-T150 PolarHBondContact O-OG1 3.25Å; M146-T150 VanDerWaalsContact O-OG1 3.09Å
147E80.4Confident73.5Confident116 Ų116120.9 Ų120.954%0.54259%0.585SS.*Hα-helixtrans-68.2-37.2-179.6-158.9165-147.800111.7K143 Q144 T150 R151K143-E147 VanDerWaalsContact O-CB 3.27Å; K143-E147 WeakPolarHBondContact O-CB 3.46Å; K143-E147 PolarHBondContact O-N 3.3Å; Q144-E147 PolarHBondContact O-N 2.71Å; E147-T150 WeakPolarHBondContact CA-OG1 3.3Å; E147-T150 PolarHBondContact O-OG1 3.17Å; E147-R151 WeakPolarHBondContact O-CB 3.41Å; E147-R151 PolarHBondContact O-N 3.03Å; E147-R151 VanDerWaalsContact O-N 3.09Å
148A80.4Confident73.8Confident57 Ų57122.2 Ų122.247%0.47159%0.586SS.*Hα-helixtrans-66.6-39.5170.400000112.5Q144 R151 Q152Q144-A148 WeakPolarHBondContact O-CB 3.15Å; Q144-A148 PolarHBondContact O-N 3.1Å; A148-R151 PolarHBondContact O-N 2.96Å; A148-Q152 PolarHBondContact O-N 3.47Å
149A73.4Confident73.2Confident50 Ų50125.7 Ų125.741%0.41360%0.596SS.*Hα-helixtrans-66.9-38.9176.900000112.3M145 M146 I153M145-A149 WeakPolarHBondContact O-CB 3.48Å; M145-A149 PolarHBondContact O-N 2.88Å; M145-A149 VanDerWaalsContact O-N 3.09Å; M146-A149 PolarHBondContact O-N 3.19Å; A149-I153 WeakPolarHBondContact O-CG1 3.32Å; A149-I153 PolarHBondContact O-N 3.1Å
150T72.3Confident72.7Confident81 Ų81123.8 Ų123.850%0.49759%0.594SS.*Hα-helixtrans-68.1-35.717547.70000112.2M146 E147 I153 E154M146-T150 WeakPolarHBondContact O-CG2 3.5Å; M146-T150 PolarHBondContact O-N 2.96Å; M146-T150 PolarHBondContact O-OG1 3.25Å; M146-T150 VanDerWaalsContact O-OG1 3.09Å; E147-T150 WeakPolarHBondContact CA-OG1 3.3Å; E147-T150 PolarHBondContact O-OG1 3.17Å; T150-I153 PolarHBondContact O-N 2.81Å; T150-E154 PolarHBondContact O-N 3.03Å
151R84Confident71.4Confident186 Ų186122.1 Ų122.170%0.70259%0.593SS**Hα-helixtrans-66.5-38.2178.8-149.2174.5-172.51651.4112.5E147 A148 I153 E154 E155E147-R151 WeakPolarHBondContact O-CB 3.41Å; E147-R151 PolarHBondContact O-N 3.03Å; E147-R151 VanDerWaalsContact O-N 3.09Å; A148-R151 PolarHBondContact O-N 2.96Å; R151-I153 VanDerWaalsContact C-N 3.34Å; R151-E154 PolarHBondContact O-N 3.43Å; R151-E155 PolarHBondContact O-N 3.43Å
152Q77.2Confident70.2Confident128 Ų128125.7 Ų125.760%0.59861%0.607SS**Hα-helixtrans-67.1-32.1173.4-86.7-173.9-2.800113.4A148 R156A148-Q152 PolarHBondContact O-N 3.47Å; Q152-R156 PolarHBondContact O-N 3.43Å
153I70.6Confident68.9Low110 Ų110129 Ų12956%0.56463%0.625SS**Hα-helixtrans-72.4-37.9176.8-66.3167.9000110.5A149 T150 R151 K157A149-I153 WeakPolarHBondContact O-CG1 3.32Å; A149-I153 PolarHBondContact O-N 3.1Å; T150-I153 PolarHBondContact O-N 2.81Å; R151-I153 VanDerWaalsContact C-N 3.34Å; I153-K157 PolarHBondContact O-N 3.13Å; I153-K157 VanDerWaalsContact O-N 3.09Å
154E74.3Confident67Low142 Ų142128 Ų12866%0.66463%0.634SS**Hα-helixtrans-68.5-41175.4-82.7-174.6151.700113.2T150 R151 R156 K157 K158T150-E154 PolarHBondContact O-N 3.03Å; R151-E154 PolarHBondContact O-N 3.43Å; E154-R156 VanDerWaalsContact C-N 3.35Å; E154-R156 PolarHBondContact O-N 2.94Å; E154-K157 PolarHBondContact O-N 3.41Å; E154-K158 WeakPolarHBondContact O-CB 3.37Å; E154-K158 PolarHBondContact O-N 3.27Å
155E81.7Confident65.4Low123 Ų123128 Ų12858%0.57565%0.645SS**Hα-helixtrans-62.5-40.2174.8-87.3-178159.900112.3R151 K157 K158 Q159R151-E155 PolarHBondContact O-N 3.43Å; E155-K157 PolarHBondContact O-N 3.43Å; E155-K158 PolarHBondContact O-N 2.95Å; E155-Q159 WeakPolarHBondContact O-CG 3.41Å; E155-Q159 PolarHBondContact O-N 3.28Å; E155-Q159 VanDerWaalsContact O-N 3.14Å
156R64.9Low63.9Low179 Ų179128.1 Ų128.168%0.67566%0.655SS**Hα-helixtrans-65.6-35.8174-92.2-164.3171.4106.8-2.2113.1Q152 E154 L160Q152-R156 PolarHBondContact O-N 3.43Å; E154-R156 VanDerWaalsContact C-N 3.35Å; E154-R156 PolarHBondContact O-N 2.94Å; R156-L160 PolarHBondContact O-N 3.49Å
157K66.8Low62.1Low159 Ų159128 Ų12869%0.69166%0.662SS**Hα-helixtrans-68-35.9174.2-105.4-176.5168-1770112.4I153 E154 E155 Q159 L160I153-K157 PolarHBondContact O-N 3.13Å; I153-K157 VanDerWaalsContact O-N 3.09Å; E154-K157 PolarHBondContact O-N 3.41Å; E155-K157 PolarHBondContact O-N 3.43Å; K157-Q159 VanDerWaalsContact C-N 3.34Å; K157-L160 PolarHBondContact O-N 3.48Å
158K69.8Low60.4Low149 Ų149127.9 Ų127.965%0.64867%0.671SS**Hα-helixtrans-71.3-27.3179.4-159.2174.7-177.4-179.20112.9E154 E155 S161E154-K158 WeakPolarHBondContact O-CB 3.37Å; E154-K158 PolarHBondContact O-N 3.27Å; E155-K158 PolarHBondContact O-N 2.95Å; K158-S161 PolarHBondContact O-OG 3.34Å
159Q61.6Low58.3Low152 Ų152134 Ų13471%0.7169%0.69SS**Hα-helixtrans-77.1-21.7173-70.5176.33.100113.3E155 K157E155-Q159 WeakPolarHBondContact O-CG 3.41Å; E155-Q159 PolarHBondContact O-N 3.28Å; E155-Q159 VanDerWaalsContact O-N 3.14Å; K157-Q159 VanDerWaalsContact C-N 3.34Å
160L50.7Low56.8Low152 Ų152136.6 Ų136.680%0.79670%0.703SS**SBendtrans-89.6-5.8179.8-82.6158.2000114.2R156 K157R156-L160 PolarHBondContact O-N 3.49Å; K157-L160 PolarHBondContact O-N 3.48Å
161S46.2Very low54.8Low87 Ų87142.5 Ų142.561%0.60872%0.721SS**SBendtrans-1048-17864.20000115.2K158K158-S161 PolarHBondContact O-OG 3.34Å
162F47.7Very low52.2Low170 Ų170140 Ų14075%0.74673%0.727SS**  trans-115.454.4179.7-86.1-78.7000112.4
163I40.8Very low50.5Low155 Ų155139.3 Ų139.380%0.79573%0.734SS**  trans-143.5100.4162.8-55.1178.4000109.8
164S34.8Very low48.6Very low116 Ų116139.5 Ų139.581%0.81175%0.745SS**  trans170.1158.4146.9-75.50000110.2
165P51.8Low46.5Very low119 Ų119138.1 Ų138.177%0.77375%0.751SS**  -115.9-172.8-65.136.7-19.6000110.9
166P40.6Very low44.1Very low125 Ų125137.7 Ų137.781%0.81276%0.761SS**  -159164.598.438.4-16.9000118.6
167T35Very low42.4Very low133 Ų133137.3 Ų137.382%0.81677%0.767SS**  trans-71.1174.2159.916.10000113.1
168P43.2Very low41.2Very low113 Ų113135.3 Ų135.373%0.73477%0.77SS**  cis-147.7164.224.238.5-15.3000120.9
169Q37.4Very low39.2Very low186 Ų186136.6 Ų136.687%0.86978%0.779SS**  trans39.5170.1147.3-62.3-164.4-0.100124.1
170P41.7Very low37.7Very low104 Ų104141.3 Ų141.368%0.67579%0.79SS**  cis-134.6171.3-6.537.3-17.6000116.9
171K30.3Very low36.8Very low204 Ų204141.9 Ų141.989%0.88779%0.793SS**  trans158.5136133.9-84.5175.4-172.4-177.20114.5
172T29.8Very low36.2Very low135 Ų135143.9 Ų143.983%0.82880%0.804SS**  trans-90.2-170.8173.254.20000110.8
173P41.7Very low35.5Very low113 Ų113143.6 Ų143.673%0.73481%0.808SS**  cis-136.9169-3.939.4-20.6000116.4
174S29.7Very low35Very low113 Ų113139.2 Ų139.279%0.7980%0.802SS**  169.9129.6121.8490000114
175S30.1Very low35.1Very low114 Ų114141.3 Ų141.380%0.79780%0.804SS**  trans53.7127.8140.9-175.80000119.7
176S31.2Very low34.5Very low113 Ų113142.4 Ų142.479%0.7981%0.809SS**  cis-167.7148.926.836.50000111.2
177Q30.5Very low34.9Very low171 Ų171143.1 Ų143.180%0.79980%0.804SS**  trans-62.7-179.2170.5-93.5-170.3-1800115.1
178P39.8Very low35.7Very low117 Ų117143.3 Ų143.376%0.7680%0.796SS**  cis-133.9168.6822.53000118
179E29.1Very low36Very low176 Ų176143.8 Ų143.882%0.82280%0.798SS**  trans-68.1153.2173.9-65.3176.2121.500115.5
180R28.9Very low37Very low251 Ų251138.4 Ų138.495%0.94778%0.782SS**  trans-146.8139.8138.7-93.1-171.6-177.8-154.7-0.2112.2
181L32.8Very low37.6Very low164 Ų164139.1 Ų139.186%0.85978%0.776SS**PPolyproline II helixtrans-47.4158.1-176.9-56.4157.6000117.6
182P33.9Very low38.7Very low129 Ų129131.9 Ų131.984%0.83875%0.754SS**PPolyproline II helixtrans-102138.3148.333.7-23.1000112.2
183I32.5Very low40Very low164 Ų164127.8 Ų127.884%0.84173%0.734SS**PPolyproline II helixtrans-72.7140.1-174.8-71.8154.5000111.2
184G30.4Very low40.9Very low63 Ų63126.9 Ų126.965%0.64973%0.727SS**PPolyproline II helixtrans-76.7142.4176.100000113.1
185N36.7Very low42.4Very low161 Ų161128.8 Ų128.886%0.86172%0.721SS**  trans-85.7113.7166.4-77.3-5.8000109.5
186T39.5Very low44Very low142 Ų142129.7 Ų129.787%0.87171%0.714SS**PPolyproline II helixtrans-71.5118.4171.125.60000110.6
187I48Very low45.8Very low139 Ų139129.3 Ų129.371%0.71370%0.703SS**PPolyproline II helixtrans-81.6127.2167.9-63.1170.7000107.8
188Q51.9Low47.8Very low138 Ų138124.6 Ų124.665%0.64568%0.684SS**PPolyproline II helixtrans-65.9140.2176.4-72.2-15728.700111.9S190 Q191Q188-S190 PolarHBondContact O-N 2.9Å; Q188-Q191 PolarHBondContact O-N 3.25Å
189P50.9Low49Very low122 Ų122121.9 Ų121.979%0.79267%0.671SS**Hα-helixtrans-66.8-8.9-173.322.8-31.1000115.3
190S57Low51Low74 Ų74118.6 Ų118.652%0.51766%0.658SS.*Hα-helixtrans-81-24.4178.758.90000114.1Q188 T194Q188-S190 PolarHBondContact O-N 2.9Å; S190-T194 PolarHBondContact O-OG1 3Å; S190-T194 VanDerWaalsContact O-OG1 3.08Å
191Q55.1Low53.2Low118 Ų118112.5 Ų112.555%0.55164%0.64SS**Hα-helixtrans-89.6-30-175.6-66.5-177.1-0.100113.2Q188 A193 T194 F195Q188-Q191 PolarHBondContact O-N 3.25Å; Q191-A193 VanDerWaalsContact C-N 3.32Å; Q191-A193 PolarHBondContact O-N 2.82Å; Q191-T194 PolarHBondContact O-N 3.48Å; Q191-F195 WeakPolarHBondContact O-CD2 3.12Å; Q191-F195 PolarHBondContact O-N 2.79Å
192A53.2Low55.1Low52 Ų52111 Ų11143%0.4363%0.627SS.*Hα-helixtrans-66.5-32.6176.300000112.8M196A192-M196 PolarHBondContact O-N 3.29Å
193A58Low56.6Low50 Ų50107.7 Ų107.741%0.41361%0.611SS.*Hα-helixtrans-69.2-32175.500000112.6Q191 N197Q191-A193 VanDerWaalsContact C-N 3.32Å; Q191-A193 PolarHBondContact O-N 2.82Å; A193-N197 WeakPolarHBondContact O-CB 3.38Å; A193-N197 PolarHBondContact O-N 2.78Å; A193-N197 VanDerWaalsContact O-N 3.16Å; A193-N197 PolarHBondContact O-ND2 3.36Å
194T60.1Low58.8Low94 Ų94109.3 Ų109.358%0.57761%0.606SS**Hα-helixtrans-73.8-37.8178.3-34.40000111.6S190 Q191 N197 D198S190-T194 PolarHBondContact O-OG1 3Å; S190-T194 VanDerWaalsContact O-OG1 3.08Å; Q191-T194 PolarHBondContact O-N 3.48Å; T194-N197 PolarHBondContact O-N 3.5Å; T194-D198 PolarHBondContact O-N 2.84Å
195F60.8Low61Low152 Ų152113.2 Ų113.267%0.66761%0.605SS**Hα-helixtrans-69-37.4175.2-78.6-71.1000113.1Q191 A199Q191-F195 WeakPolarHBondContact O-CD2 3.12Å; Q191-F195 PolarHBondContact O-N 2.79Å; F195-A199 WeakPolarHBondContact O-CB 3.44Å; F195-A199 PolarHBondContact O-N 2.84Å
196M62.8Low62.3Low133 Ų133108.1 Ų108.166%0.65559%0.585SS**Hα-helixtrans-67-39.8173.9-74.5-159.1-165.300112.1A192 A199 I200A192-M196 PolarHBondContact O-N 3.29Å; M196-A199 PolarHBondContact O-N 3.28Å; M196-I200 WeakPolarHBondContact O-CB 3.46Å; M196-I200 WeakPolarHBondContact O-CD1 3.37Å; M196-I200 WeakPolarHBondContact O-CG1 3.35Å; M196-I200 PolarHBondContact O-N 3.36Å
197N69.9Low63.8Low105 Ų105104 Ų10456%0.56157%0.565SS**Hα-helixtrans-67.1-40.5177-78.3-53.1000112.5A193 T194 A199 I200 E201A193-N197 WeakPolarHBondContact O-CB 3.38Å; A193-N197 PolarHBondContact O-N 2.78Å; A193-N197 VanDerWaalsContact O-N 3.16Å; A193-N197 PolarHBondContact O-ND2 3.36Å; T194-N197 PolarHBondContact O-N 3.5Å; N197-A199 PolarHBondContact O-N 3.14Å; N197-I200 PolarHBondContact O-N 2.99Å; N197-E201 WeakPolarHBondContact O-CB 3.29Å; N197-E201 PolarHBondContact O-N 3.15Å
198D71.4Confident65.1Low73 Ų73103.3 Ų103.339%0.3956%0.559SS.*Hα-helixtrans-68.5-33.3176.4-166.754.5000112.3T194 K202T194-D198 PolarHBondContact O-N 2.84Å; D198-K202 WeakPolarHBondContact O-CB 3.45Å; D198-K202 PolarHBondContact O-N 2.78Å; D198-K202 IonicContact OD2-NZ 3.99Å; D198-K202 PolarHBondContact OD2-NZ 2.86Å
199A66Low65.9Low59 Ų59102.1 Ų102.149%0.48856%0.557SS.*Hα-helixtrans-68.1-39.9173.500000112.3F195 M196 N197 A203F195-A199 WeakPolarHBondContact O-CB 3.44Å; F195-A199 PolarHBondContact O-N 2.84Å; M196-A199 PolarHBondContact O-N 3.28Å; N197-A199 PolarHBondContact O-N 3.14Å; A199-A203 WeakPolarHBondContact O-CB 3.29Å; A199-A203 PolarHBondContact O-N 2.76Å
200I71.3Confident66.4Low107 Ų107102.4 Ų102.455%0.54955%0.548SS..Hα-helixtrans-68.4-39.1176.3-68.9164.8000110.7M196 N197 A203 R204M196-I200 WeakPolarHBondContact O-CB 3.46Å; M196-I200 WeakPolarHBondContact O-CD1 3.37Å; M196-I200 WeakPolarHBondContact O-CG1 3.35Å; M196-I200 PolarHBondContact O-N 3.36Å; N197-I200 PolarHBondContact O-N 2.99Å; I200-A203 PolarHBondContact O-N 3.39Å; I200-R204 WeakPolarHBondContact O-CB 3.27Å; I200-R204 PolarHBondContact O-N 2.86Å
201E74.3Confident67.1Low123 Ų123101.5 Ų101.558%0.57555%0.545SS*.Hα-helixtrans-72.1-36.6179-140.9179-177.300112.5N197 R204 K205N197-E201 WeakPolarHBondContact O-CB 3.29Å; N197-E201 PolarHBondContact O-N 3.15Å; E201-R204 PolarHBondContact O-N 3.49Å; E201-K205 PolarHBondContact O-N 3.23Å
202K73.9Confident67.9Low132 Ų132104 Ų10457%0.57455%0.549SS*.Hα-helixtrans-65.1-40.4169.6-88.6174.2-179.6135.60112.6D198 R204 K205 A206D198-K202 WeakPolarHBondContact O-CB 3.45Å; D198-K202 PolarHBondContact O-N 2.78Å; D198-K202 IonicContact OD2-NZ 3.99Å; D198-K202 PolarHBondContact OD2-NZ 2.86Å; K202-R204 VanDerWaalsContact C-N 3.32Å; K202-K205 PolarHBondContact O-N 3.06Å; K202-A206 WeakPolarHBondContact O-CB 3.29Å; K202-A206 PolarHBondContact O-N 3.42Å
203A65.8Low68.4Low61 Ų61105.6 Ų105.650%0.50455%0.549SS..Hα-helixtrans-64.2-38.4174.600000111.6A199 I200 A206 A207A199-A203 WeakPolarHBondContact O-CB 3.29Å; A199-A203 PolarHBondContact O-N 2.76Å; I200-A203 PolarHBondContact O-N 3.39Å; A203-A206 PolarHBondContact O-N 3.26Å; A203-A207 WeakPolarHBondContact O-CB 3.44Å; A203-A207 PolarHBondContact O-N 3.21Å
204R77.7Confident68.6Low197 Ų197109.8 Ų109.874%0.74356%0.56SS**Hα-helixtrans-67.1-42.1176.9-148.1177.1-169.5172.43.4112.4I200 E201 K202 A207 E208I200-R204 WeakPolarHBondContact O-CB 3.27Å; I200-R204 PolarHBondContact O-N 2.86Å; E201-R204 PolarHBondContact O-N 3.49Å; K202-R204 VanDerWaalsContact C-N 3.32Å; R204-A207 PolarHBondContact O-N 2.72Å; R204-E208 WeakPolarHBondContact O-CB 3.24Å; R204-E208 PolarHBondContact O-N 3.24Å
205K77Confident68.9Low146 Ų146108 Ų10864%0.63556%0.555SS**Hα-helixtrans-66.8-36.7173.5-98.7173.8179.6156.70113E201 K202 E208 L209E201-K205 PolarHBondContact O-N 3.23Å; K202-K205 PolarHBondContact O-N 3.06Å; K205-E208 PolarHBondContact O-N 3.19Å; K205-L209 WeakPolarHBondContact O-CB 3.44Å; K205-L209 PolarHBondContact O-N 3.06Å
206A63.5Low68.8Low53 Ų53107.4 Ų107.444%0.43855%0.554SS.*Hα-helixtrans-67.5-40.9175.600000111.7K202 A203 L209 Q210K202-A206 WeakPolarHBondContact O-CB 3.29Å; K202-A206 PolarHBondContact O-N 3.42Å; A203-A206 PolarHBondContact O-N 3.26Å; A206-L209 PolarHBondContact O-N 3.01Å; A206-Q210 PolarHBondContact O-N 2.88Å
207A71.4Confident68.2Low55 Ų55107.1 Ų107.146%0.45556%0.555SS.*Hα-helixtrans-66.3-39.2174.500000112.4A203 R204 Q210 A211A203-A207 WeakPolarHBondContact O-CB 3.44Å; A203-A207 PolarHBondContact O-N 3.21Å; R204-A207 PolarHBondContact O-N 2.72Å; A207-Q210 PolarHBondContact O-N 2.79Å; A207-A211 WeakPolarHBondContact O-CB 3.28Å; A207-A211 PolarHBondContact O-N 3.1Å
208E75.6Confident67.3Low126 Ų126106.1 Ų106.159%0.58956%0.561SS**Hα-helixtrans-65.8-38.5174.7-168.9-178.4169.600111.9R204 K205 A211 R212R204-E208 WeakPolarHBondContact O-CB 3.24Å; R204-E208 PolarHBondContact O-N 3.24Å; K205-E208 PolarHBondContact O-N 3.19Å; E208-A211 PolarHBondContact O-N 2.89Å; E208-R212 VanDerWaalsContact O-CB 3.3Å; E208-R212 WeakPolarHBondContact O-CB 3.21Å; E208-R212 PolarHBondContact O-N 3.35Å
209L69.1Low66.3Low112 Ų112109.3 Ų109.359%0.58658%0.577SS**Hα-helixtrans-66.7-42174.8-162.183.1000111.5K205 A206 R212 I213K205-L209 WeakPolarHBondContact O-CB 3.44Å; K205-L209 PolarHBondContact O-N 3.06Å; A206-L209 PolarHBondContact O-N 3.01Å; L209-R212 PolarHBondContact O-N 3.06Å; L209-I213 HydrophobicContact CD2-CD1 4.46Å; L209-I213 HydrophobicContact CG-CD1 4.25Å; L209-I213 VanDerWaalsContact O-CG1 3.26Å; L209-I213 WeakPolarHBondContact O-CG1 3.31Å; L209-I213 PolarHBondContact O-N 3.48Å
210Q60.9Low65.7Low129 Ų129115.3 Ų115.360%0.60359%0.592SS**Hα-helixtrans-63.8-42.8174.4-103175.6-3100112.2A206 A207 R212 I213 Q214A206-Q210 PolarHBondContact O-N 2.88Å; A207-Q210 PolarHBondContact O-N 2.79Å; Q210-R212 VanDerWaalsContact C-N 3.3Å; Q210-R212 PolarHBondContact O-N 3.22Å; Q210-I213 PolarHBondContact O-N 2.91Å; Q210-Q214 WeakPolarHBondContact O-CB 3.45Å; Q210-Q214 WeakPolarHBondContact O-CG 3.42Å; Q210-Q214 PolarHBondContact O-N 3.08Å
211A70.7Confident64.2Low55 Ų55116.2 Ų116.246%0.45561%0.605SS.*Hα-helixtrans-63.5-36.6175.500000111.8A207 E208 A215A207-A211 WeakPolarHBondContact O-CB 3.28Å; A207-A211 PolarHBondContact O-N 3.1Å; E208-A211 PolarHBondContact O-N 2.89Å; A211-A215 VanDerWaalsContact O-CB 3.28Å; A211-A215 WeakPolarHBondContact O-CB 3.31Å; A211-A215 PolarHBondContact O-N 2.98Å
212R73.1Confident62.8Low170 Ų170113.6 Ų113.664%0.64261%0.611SS**Hα-helixtrans-71.4-36177-166.2168.3-176.7147.8-0.9113E208 L209 Q210 Q216E208-R212 VanDerWaalsContact O-CB 3.3Å; E208-R212 WeakPolarHBondContact O-CB 3.21Å; E208-R212 PolarHBondContact O-N 3.35Å; L209-R212 PolarHBondContact O-N 3.06Å; Q210-R212 VanDerWaalsContact C-N 3.3Å; Q210-R212 PolarHBondContact O-N 3.22Å; R212-Q216 PolarHBondContact O-N 3.49Å
213I62.3Low61.1Low86 Ų86115.6 Ų115.644%0.44163%0.627SS.*Hα-helixtrans-68.4-43.4173.7-69.9165.5000110.4L209 Q210 Q216 L217L209-I213 HydrophobicContact CD2-CD1 4.46Å; L209-I213 HydrophobicContact CG-CD1 4.25Å; L209-I213 VanDerWaalsContact O-CG1 3.26Å; L209-I213 WeakPolarHBondContact O-CG1 3.31Å; L209-I213 PolarHBondContact O-N 3.48Å; Q210-I213 PolarHBondContact O-N 2.91Å; I213-Q216 PolarHBondContact O-N 3.17Å; I213-L217 HydrophobicContact CG2-CD1 3.85Å; I213-L217 WeakPolarHBondContact O-CG 3.3Å; I213-L217 PolarHBondContact O-N 3.2Å
214Q62.3Low59.7Low138 Ų138121.2 Ų121.265%0.64565%0.647SS**Hα-helixtrans-64.6-39.2175-76.1-178.9-9.900112.3Q210 Q216 L217 A218Q210-Q214 WeakPolarHBondContact O-CB 3.45Å; Q210-Q214 WeakPolarHBondContact O-CG 3.42Å; Q210-Q214 PolarHBondContact O-N 3.08Å; Q214-Q216 PolarHBondContact O-N 2.96Å; Q214-L217 PolarHBondContact O-N 3.37Å; Q214-A218 PolarHBondContact O-N 3.16Å
215A66.8Low57.5Low55 Ų55115 Ų11546%0.45564%0.644SS.*Hα-helixtrans-66.5-34174.700000113A211 L219A211-A215 VanDerWaalsContact O-CB 3.28Å; A211-A215 WeakPolarHBondContact O-CB 3.31Å; A211-A215 PolarHBondContact O-N 2.98Å; A215-L219 WeakPolarHBondContact O-CD1 3.49Å
216Q59.3Low55.3Low140 Ų140115.9 Ų115.965%0.65466%0.656SS**Hα-helixtrans-74.2-31.3174.6-83.9-170.8-38.900113.4R212 I213 Q214R212-Q216 PolarHBondContact O-N 3.49Å; I213-Q216 PolarHBondContact O-N 3.17Å; Q214-Q216 PolarHBondContact O-N 2.96Å
217L49.8Very low53.7Low127 Ų127117.7 Ų117.767%0.66567%0.671SS**Hα-helixtrans-74.1-31.3175-77.7159.2000112.4I213 Q214 L219I213-L217 HydrophobicContact CG2-CD1 3.85Å; I213-L217 WeakPolarHBondContact O-CG 3.3Å; I213-L217 PolarHBondContact O-N 3.2Å; Q214-L217 PolarHBondContact O-N 3.37Å; L217-L219 PolarHBondContact O-N 2.87Å
218A50.2Low51.8Low84 Ų84122.3 Ų122.369%0.69469%0.688SS**THydrogen-bonded Turntrans-71.4-14.3175.400000114.1Q214Q214-A218 PolarHBondContact O-N 3.16Å
219L50.7Low49.7Very low140 Ų140124.3 Ų124.373%0.73370%0.699SS**THydrogen-bonded Turntrans-90.83.4-177.9-87158.7000114.5A215 L217A215-L219 WeakPolarHBondContact O-CD1 3.49Å; L217-L219 PolarHBondContact O-N 2.87Å
220K53.7Low47.9Very low185 Ų185126.1 Ų126.180%0.80471%0.714SS**  trans-145.188.6177.6-74-174.41761790113.4
221P39.7Very low46.5Very low127 Ų127123.6 Ų123.683%0.82572%0.723SS**  trans-93.9118161.630.6-20000109.9
222G45.9Very low44.6Very low68 Ų68129.4 Ų129.470%0.70175%0.745SS**  trans117.392.616300000115.2
223L38.1Very low42.6Very low173 Ų173125.2 Ų125.291%0.90675%0.747SS**  trans-177.770.9153.5-106.7149.1000110.9
224I36.6Very low41.3Very low180 Ų180128.4 Ų128.492%0.92377%0.765SS**  trans-142.895.3148.3-55.9-175.5000107.3
225G30.4Very low40Very low65 Ų65130.3 Ų130.367%0.6778%0.779SS**  trans-140.1114.4165.200000107.9
226N30.8Very low38.5Very low166 Ų166137.2 Ų137.289%0.88880%0.801SS**  trans97.1119.7160.7-58.1-8000120.4
227A30.3Very low37.6Very low91 Ų91134.8 Ų134.875%0.75281%0.805SS**  trans9395.2139.400000120.4
228N31.5Very low37Very low152 Ų152137.5 Ų137.581%0.81382%0.816SS**  70.4116.5123.2-74.7-4.1000122.8
229M31.7Very low36.5Very low168 Ų168137.6 Ų137.683%0.82883%0.826SS**  65.3108.1129.9-72.3-82.6-84.700118.3
230V31.6Very low35.9Very low149 Ų149138.7 Ų138.790%0.90383%0.831SS**  175123.5112.6168.30000107.2
231G31Very low34.9Very low76 Ų76134 Ų13478%0.78483%0.826SS**  trans151.953.9168.400000116.1A233G231-A233 PolarHBondContact O-N 2.98Å
232L30.1Very low34.8Very low177 Ų177133.9 Ų133.993%0.92783%0.825SS**  trans-87.8100.8169.8-154.3157.7000108.3
233A31.4Very low34.4Very low83 Ų83136.8 Ų136.869%0.68683%0.832SS**  trans-160.4126.1156.600000110.1G231G231-A233 PolarHBondContact O-N 2.98Å
234N36Very low34Very low152 Ų152138.2 Ų138.281%0.81383%0.831SS**SBendtrans85.468.7166.2-69.114000120
235L35Very low33.8Very low178 Ų178135.6 Ų135.693%0.93282%0.823SS**  trans-146.253.1142.8-73.1177.1000111
236H33.8Very low33.8Very low201 Ų201141.9 Ų141.993%0.93184%0.835SS**  trans-100.851.8167.9-104.993.9000110.5
237A41Very low34.2Very low88 Ų88141.6 Ų141.673%0.72783%0.833SS**  trans-13198.9167.700000106.8
238M38.4Very low34.3Very low184 Ų184146.4 Ų146.491%0.90684%0.837SS**SBendtrans136.180.4169.8-67.4-108.2102.500107.9I240M238-I240 PolarHBondContact O-N 3.1Å
239G38Very low34.4Very low86 Ų86146.5 Ų146.589%0.88784%0.837SS**  trans-70.4110-176.600000113.3
240I39.2Very low34.6Very low164 Ų164147 Ų14784%0.84184%0.837SS**  trans-132.3123.5161.3-60.5177.8000107.6M238M238-I240 PolarHBondContact O-N 3.1Å
241A32.9Very low35Very low86 Ų86145.5 Ų145.571%0.71183%0.829SS**  trans-71.5151.3178.400000111.7
242P37.8Very low35.5Very low124 Ų124151.2 Ų151.281%0.80583%0.832SS**  trans-89.6153.9-176.435.7-32.5000112.2
243P37.5Very low36.3Very low129 Ų129148.8 Ų148.884%0.83883%0.827SS**  trans-113.9156.4148.729.9-16.5000112.8
244K29.3Very low37.3Very low203 Ų203151.1 Ų151.188%0.88383%0.833SS**  trans-72.6142.2-165.2-75.3161.6165.5174.60114.5
245V32.6Very low38.4Very low126 Ų126149 Ų14976%0.76483%0.827SS**  trans-3.6127.4140-171.50000116.8
246E29.5Very low39.8Very low196 Ų196146 Ų14692%0.91681%0.812SS**  -151.5146128.2-71.7-154.4160.600111.4
247L40.7Very low41.3Very low161 Ų161141 Ų14184%0.84379%0.79SS**  trans-84.7146.8-175.2-68.9151.6000111.8
248K32.3Very low42.7Very low192 Ų192141.3 Ų141.384%0.83578%0.78SS**  trans-173120.8144.2-107.9164.4-174.21790115.1
249D32.9Very low44.3Very low154 Ų154134.9 Ų134.982%0.82475%0.749SS**  trans42.7139.6131.2-58.2-31.5000123.9
250Q36.2Very low46Very low177 Ų177140.7 Ų140.783%0.82775%0.753SS**  trans-79.1162.3-174.7-59.8175.80.700114.4
251T38.6Very low47.5Very low119 Ų119140 Ų14073%0.7375%0.746SS**  trans92.398.8152.372.60000119.5
252K42.8Very low49.2Very low196 Ų196138.4 Ų138.485%0.85274%0.738SS**  trans170.3147.4132.9-88.1159.5-164.3-172.70109.3
253P46.3Very low50.9Low126 Ų126137.5 Ų137.582%0.81872%0.719SS**PPolyproline II helixtrans-67.3135173.327.7-31.9000110.5
254T53Low52.5Low132 Ų132132.5 Ų132.581%0.8169%0.686SS**PPolyproline II helixtrans-65.7133-178-34.10000110.6
255P58.7Low54.6Low106 Ų106124.2 Ų124.269%0.68865%0.652SS**PPolyproline II helixtrans-64.7138.2175.826.6-33.9000111.1I257P255-I257 PolarHBondContact O-N 2.95Å
256L64.6Low56.2Low117 Ų117122.5 Ų122.561%0.61364%0.639SS**PPolyproline II helixtrans-74.2119.3177.3-157.778000108.9L258 T264L256-L258 HydrophobicContact CD2-CD2 4.38Å; L256-T264 HydrophobicContact CD1-CG2 4Å; L256-T264 HydrophobicContact CD2-CG2 3.51Å; L256-T264 HydrophobicContact CG-CG2 3.76Å
257I65.4Low58.1Low94 Ų94117.9 Ų117.948%0.48263%0.634SS.*PPolyproline II helixtrans-89123.9178.1-57.7174.2000107.8P255 V265P255-I257 PolarHBondContact O-N 2.95Å; I257-V265 HydrophobicContact CB-CG2 4.24Å; I257-V265 HydrophobicContact CG2-CG2 3.8Å; I257-V265 PolarHBondContact O-N 3.21Å
258L70.4Confident59.3Low96 Ų96116.2 Ų116.250%0.50363%0.63SS.*BIsolated β-bridgetrans-113.2138178.4-64163.1000109.1L256 R263 T264L256-L258 HydrophobicContact CD2-CD2 4.38Å; L258-R263 VanDerWaalsContact CA-O 3.3Å; L258-R263 WeakPolarHBondContact CA-O 3.38Å; L258-T264 HydrophobicContact CD2-CG2 3.79Å
259D70.8Confident60.8Low48 Ų48110 Ų11026%0.25762%0.621SS.*  trans-73.2172169.968.61.8000111.6Q261 G262 R263D259-Q261 PolarHBondContact O-N 3.02Å; D259-Q261 VanDerWaalsContact OD1-C 3.26Å; D259-Q261 WeakPolarHBondContact OD1-CA 3.25Å; D259-Q261 PolarHBondContact OD1-N 3.38Å; D259-Q261 VanDerWaalsContact OD1-N 3.12Å; D259-G262 PolarHBondContact O-N 3.38Å; D259-G262 PolarHBondContact OD1-N 3.48Å; D259-R263 PolarHBondContact N-O 3.15Å; D259-R263 PolarHBondContact OD1-N 2.83Å; D259-R263 IonicContact OD1-NE 2.58Å; D259-R263 IonicContact OD2-CZ 2.67Å; D259-R263 IonicContact OD2-NE 2.67Å; D259-R263 PolarHBondContact OD2-NE 3.4Å; D259-R263 IonicContact OD2-NH2 3.45Å; D259-R263 PolarHBondContact OD2-NH2 2.97Å
260E74.1Confident62.6Low209 Ų209110.3 Ų110.398%0.97762%0.615SS**THydrogen-bonded Turntrans-58.1-6.7176.1-82.1-174.815400113.9
261Q70.2Confident64.2Low148 Ų148108 Ų10869%0.69260%0.604SS**THydrogen-bonded Turntrans-112.36.1-179.2-65.2165.2-5.100112.3D259D259-Q261 PolarHBondContact O-N 3.02Å; D259-Q261 VanDerWaalsContact OD1-C 3.26Å; D259-Q261 WeakPolarHBondContact OD1-CA 3.25Å; D259-Q261 PolarHBondContact OD1-N 3.38Å; D259-Q261 VanDerWaalsContact OD1-N 3.12Å
262G68.8Low65.5Low53 Ų53105.3 Ų105.355%0.54659%0.585SS.*SBendtrans79.322.6171.800000115.7D259D259-G262 PolarHBondContact O-N 3.38Å; D259-G262 PolarHBondContact OD1-N 3.48Å
263R74.2Confident66.5Low106 Ų106104.4 Ų104.440%0.458%0.584SS.*  trans-102.6146.2178.3-62.3176.5-64-156.6-4.2112.4L258 D259L258-R263 VanDerWaalsContact CA-O 3.3Å; L258-R263 WeakPolarHBondContact CA-O 3.38Å; D259-R263 PolarHBondContact N-O 3.15Å; D259-R263 PolarHBondContact OD1-N 2.83Å; D259-R263 IonicContact OD1-NE 2.58Å; D259-R263 IonicContact OD2-CZ 2.67Å; D259-R263 IonicContact OD2-NE 2.67Å; D259-R263 PolarHBondContact OD2-NE 3.4Å; D259-R263 IonicContact OD2-NH2 3.45Å; D259-R263 PolarHBondContact OD2-NH2 2.97Å
264T71.8Confident67.2Low24 Ų24104 Ų10415%0.14757%0.574CS.*BIsolated β-bridgetrans-78.2119.8-178.149.60000112L256 L258 I272 L274L256-T264 HydrophobicContact CD1-CG2 4Å; L256-T264 HydrophobicContact CD2-CG2 3.51Å; L256-T264 HydrophobicContact CG-CG2 3.76Å; L258-T264 HydrophobicContact CD2-CG2 3.79Å; T264-I272 PolarHBondContact O-N 3.14Å; T264-I272 VanDerWaalsContact O-N 3.1Å; T264-I272 PolarHBondContact OG1-O 2.98Å; T264-I272 VanDerWaalsContact OG1-O 3.04Å; T264-L274 HydrophobicContact CG2-CD1 4.28Å
265V72.6Confident67.2Low28 Ų28104.3 Ų104.317%0.1758%0.576CS.*BIsolated β-bridgetrans-121.1145.1-178.1-65.20000111.9I257 K270I257-V265 HydrophobicContact CB-CG2 4.24Å; I257-V265 HydrophobicContact CG2-CG2 3.8Å; I257-V265 PolarHBondContact O-N 3.21Å; V265-K270 WeakPolarHBondContact CA-O 3.43Å
266D67.1Low67Low91 Ų91107.8 Ų107.849%0.48758%0.583SS.*  trans-72.8166.7171.4-98.9-31.1000111.4T268 G269 K270 I272D266-T268 PolarHBondContact O-N 3.45Å; D266-G269 PolarHBondContact O-N 2.76Å; D266-K270 PolarHBondContact N-O 3.21Å; D266-I272 HydrophobicContact CB-CD1 3.89Å; D266-I272 HydrophobicContact CB-CG1 4.07Å; D266-I272 WeakPolarHBondContact OD1-CD1 3.5Å; D266-I272 WeakPolarHBondContact OD2-CD1 3.41Å; D266-I272 WeakPolarHBondContact OD2-CG1 3.46Å
267A67.9Low66.7Low98 Ų98113.5 Ų113.581%0.8160%0.596SS**THydrogen-bonded Turntrans-57.7-10.4-178.600000115.4
268T65.9Low66.1Low126 Ų126116.8 Ų116.877%0.77361%0.611SS**THydrogen-bonded Turntrans-108.714.7175.159.30000113.5D266 K270D266-T268 PolarHBondContact O-N 3.45Å; T268-K270 PolarHBondContact O-N 2.74Å
269G65.4Low65.2Low62 Ų62118.5 Ų118.564%0.63963%0.628SS**SBendtrans73.618.9174.100000115.5D266D266-G269 PolarHBondContact O-N 2.76Å
270K70.1Confident64.8Low160 Ų160120.6 Ų120.670%0.69664%0.643SS**  trans-94.8137.9172.7-111.2178.6178.2179.50110V265 D266 T268V265-K270 WeakPolarHBondContact CA-O 3.43Å; D266-K270 PolarHBondContact N-O 3.21Å; T268-K270 PolarHBondContact O-N 2.74Å
271E69.1Low64.2Low129 Ų129117.7 Ų117.760%0.60363%0.633SS**BIsolated β-bridgetrans-67.5132.9-179.6-173.5171.2-167.100111.4
272I65.5Low63.5Low62 Ų62119.5 Ų119.532%0.31864%0.639SS.*  trans-110.9122.6174.4-47.3168.9000108T264 D266 L274T264-I272 PolarHBondContact O-N 3.14Å; T264-I272 VanDerWaalsContact O-N 3.1Å; T264-I272 PolarHBondContact OG1-O 2.98Å; T264-I272 VanDerWaalsContact OG1-O 3.04Å; D266-I272 HydrophobicContact CB-CD1 3.89Å; D266-I272 HydrophobicContact CB-CG1 4.07Å; D266-I272 WeakPolarHBondContact OD1-CD1 3.5Å; D266-I272 WeakPolarHBondContact OD2-CD1 3.41Å; D266-I272 WeakPolarHBondContact OD2-CG1 3.46Å; I272-L274 PolarHBondContact O-N 3.5Å
273E64.9Low62.7Low177 Ų177120.5 Ų120.583%0.82764%0.642SS**  trans-76.8109.3172.2-69.3-174.7170.100110.6T275E273-T275 PolarHBondContact O-N 3.31Å
274L61Low61.9Low117 Ų117120.5 Ų120.561%0.61365%0.65SS**  trans-70.7111.2170.1-113.573.7000109.6T264 I272 H276T264-L274 HydrophobicContact CG2-CD1 4.28Å; I272-L274 PolarHBondContact O-N 3.5Å; L274-H276 PolarHBondContact O-N 2.96Å
275T53.2Low61.2Low140 Ų140123 Ų12386%0.85966%0.662SS**  trans-63.310417958.90000111E273 R277E273-T275 PolarHBondContact O-N 3.31Å; T275-R277 PolarHBondContact O-N 2.78Å
276H55Low60.5Low178 Ų178131 Ų13182%0.82469%0.689SS**  trans-77117.6-179.5-146.7-91.8000110.3L274 M278L274-H276 PolarHBondContact O-N 2.96Å; H276-M278 PolarHBondContact O-N 2.85Å
277R57.9Low60.5Low237 Ų237129.2 Ų129.289%0.89469%0.687SS**  trans-77115.1179.3-139.9179.1-166.7-1083.3109.4T275T275-R277 PolarHBondContact O-N 2.78Å
278M51.5Low60.4Low164 Ų164128 Ų12881%0.80867%0.668SS**PPolyproline II helixtrans-65.7135.1179.5-60.2-179.17600111.5H276 T280H276-M278 PolarHBondContact O-N 2.85Å; M278-T280 PolarHBondContact O-N 3Å
279P52.8Low60.4Low131 Ų131128.7 Ų128.785%0.85166%0.661SS**PPolyproline II helixtrans-69.2123.9176.7-14.328.4000110.7
280T62.1Low60.5Low92 Ų92134.6 Ų134.656%0.56466%0.664SS**PPolyproline II helixtrans-96.3140.9172.952.20000110.4M278M278-T280 PolarHBondContact O-N 3Å
281L61.4Low60.4Low148 Ų148133.4 Ų133.478%0.77566%0.661SS**PPolyproline II helixtrans-54.3139.7-179.5-94.688.8000112.1A283 N284L281-A283 PolarHBondContact O-N 2.87Å; L281-N284 PolarHBondContact O-N 2.86Å
282K55.4Low60.2Low186 Ų186132.2 Ų132.281%0.80966%0.655SS**Hα-helixtrans-50.9-16.8-177.7-77.9179.6175.4174.50115.9R286K282-R286 PolarHBondContact O-N 3.32Å
283A52.8Low59.9Low74 Ų74135.6 Ų135.661%0.61267%0.668SS**Hα-helixtrans-66.8-40.3174.200000112.7L281 I285 R286 A287L281-A283 PolarHBondContact O-N 2.87Å; A283-I285 VanDerWaalsContact C-N 3.35Å; A283-R286 PolarHBondContact O-N 2.98Å; A283-A287 PolarHBondContact O-N 3.46Å
284N56Low59.7Low106 Ų106134.9 Ų134.957%0.56766%0.662SS**Hα-helixtrans-75.2-26.9178.4-73.7-13.5000112.1L281 A287 V288L281-N284 PolarHBondContact O-N 2.86Å; N284-A287 PolarHBondContact O-N 3.25Å; N284-V288 WeakPolarHBondContact O-CG2 3.16Å; N284-V288 PolarHBondContact O-N 3.04Å
285I58.2Low59.7Low77 Ų77136.3 Ų136.340%0.39567%0.665SS.*Hα-helixtrans-69.4-33.7175.3-58.3175000111.3A283 K289A283-I285 VanDerWaalsContact C-N 3.35Å; I285-K289 HydrophobicContact CG2-CD 4.46Å; I285-K289 WeakPolarHBondContact O-CB 3.42Å; I285-K289 PolarHBondContact O-N 2.89Å
286R57.4Low59.7Low197 Ų197136.2 Ų136.274%0.74366%0.655SS**Hα-helixtrans-72.3-35.2175-100.6-178.5-178.9178.50.9112.8K282 A283 R290K282-R286 PolarHBondContact O-N 3.32Å; A283-R286 PolarHBondContact O-N 2.98Å; R286-R290 WeakPolarHBondContact O-CB 3.41Å; R286-R290 PolarHBondContact O-N 2.83Å
287A66.9Low59.6Low53 Ų53133.7 Ų133.744%0.43865%0.647SS.*Hα-helixtrans-67.5-47.2175.200000111.1A283 N284 R290 E291A283-A287 PolarHBondContact O-N 3.46Å; N284-A287 PolarHBondContact O-N 3.25Å; A287-R290 PolarHBondContact O-N 2.83Å; A287-E291 PolarHBondContact O-N 3.39Å
288V66.7Low59.4Low71 Ų71131.5 Ų131.543%0.4364%0.644SS.*Hα-helixtrans-67.9-39.7176.31760000111.8N284 R290 E291 Q292N284-V288 WeakPolarHBondContact O-CG2 3.16Å; N284-V288 PolarHBondContact O-N 3.04Å; V288-R290 VanDerWaalsContact C-N 3.33Å; V288-R290 PolarHBondContact O-N 3.33Å; V288-E291 PolarHBondContact O-N 2.85Å; V288-Q292 HydrophobicContact CG1-CG 4.29Å; V288-Q292 WeakPolarHBondContact O-CB 3.37Å; V288-Q292 VanDerWaalsContact O-CG 3.32Å; V288-Q292 WeakPolarHBondContact O-CG 3.48Å; V288-Q292 PolarHBondContact O-N 3.37Å
289K65.4Low59.2Low141 Ų141131.2 Ų131.261%0.61364%0.641SS**Hα-helixtrans-63.9-35.7172.2-91.4-172.5170.2-178.90112.4I285 F293I285-K289 HydrophobicContact CG2-CD 4.46Å; I285-K289 WeakPolarHBondContact O-CB 3.42Å; I285-K289 PolarHBondContact O-N 2.89Å; K289-F293 WeakPolarHBondContact O-CB 3.31Å; K289-F293 PolarHBondContact O-N 3.25Å
290R67.6Low59Low187 Ų187134.2 Ų134.271%0.70664%0.64SS**Hα-helixtrans-69.1-37177-167.5-174.2-69.2159.2-5.2111.1R286 A287 V288 K294R286-R290 WeakPolarHBondContact O-CB 3.41Å; R286-R290 PolarHBondContact O-N 2.83Å; A287-R290 PolarHBondContact O-N 2.83Å; V288-R290 VanDerWaalsContact C-N 3.33Å; V288-R290 PolarHBondContact O-N 3.33Å; R290-K294 VanDerWaalsContact O-CB 3.28Å; R290-K294 WeakPolarHBondContact O-CB 3.35Å; R290-K294 PolarHBondContact O-N 3.17Å
291E67.5Low58Low134 Ų134135.3 Ų135.363%0.62665%0.649SS**Hα-helixtrans-70.4-42.5173.2-75-170150.200112.7A287 V288 K294 Q295A287-E291 PolarHBondContact O-N 3.39Å; V288-E291 PolarHBondContact O-N 2.85Å; E291-K294 PolarHBondContact O-N 3.39Å; E291-Q295 WeakPolarHBondContact O-CG 3.41Å; E291-Q295 PolarHBondContact O-N 3.39Å
292Q64.3Low57.1Low104 Ų104133 Ų13349%0.48665%0.646SS.*Hα-helixtrans-65.1-38.6174.7-74175.8-12.500112.1V288 K294 Q295 Q296V288-Q292 HydrophobicContact CG1-CG 4.29Å; V288-Q292 WeakPolarHBondContact O-CB 3.37Å; V288-Q292 VanDerWaalsContact O-CG 3.32Å; V288-Q292 WeakPolarHBondContact O-CG 3.48Å; V288-Q292 PolarHBondContact O-N 3.37Å; Q292-K294 VanDerWaalsContact C-N 3.34Å; Q292-K294 PolarHBondContact O-N 3Å; Q292-Q295 PolarHBondContact O-N 3.26Å; Q292-Q296 WeakPolarHBondContact O-CB 3.3Å; Q292-Q296 PolarHBondContact O-N 3.06Å
293F59.5Low56.3Low134 Ų134133 Ų13359%0.58865%0.648SS**Hα-helixtrans-67.3-35174.7-164.5-106.3000111.8K289 Q295 Q296 L297K289-F293 WeakPolarHBondContact O-CB 3.31Å; K289-F293 PolarHBondContact O-N 3.25Å; F293-Q295 VanDerWaalsContact C-N 3.34Å; F293-Q296 PolarHBondContact O-N 3.14Å; F293-L297 HydrophobicContact CD1-CD1 3.5Å; F293-L297 VanDerWaalsContact CD1-CD1 3.5Å; F293-L297 HydrophobicContact CD1-CG 4.44Å; F293-L297 HydrophobicContact CE1-CD1 3.38Å; F293-L297 HydrophobicContact CE1-CG 4.3Å; F293-L297 HydrophobicContact CG-CD1 4.35Å; F293-L297 HydrophobicContact CZ-CD1 4.15Å; F293-L297 WeakPolarHBondContact O-CB 3.29Å; F293-L297 WeakPolarHBondContact O-CD1 3.28Å; F293-L297 WeakPolarHBondContact O-CG 3.46Å; F293-L297 PolarHBondContact O-N 3.47Å
294K61.8Low55.6Low162 Ų162136.4 Ų136.470%0.70466%0.656SS**Hα-helixtrans-74.4-24.3175.4-155176.4-172.7-178.30112.8R290 E291 Q292R290-K294 VanDerWaalsContact O-CB 3.28Å; R290-K294 WeakPolarHBondContact O-CB 3.35Å; R290-K294 PolarHBondContact O-N 3.17Å; E291-K294 PolarHBondContact O-N 3.39Å; Q292-K294 VanDerWaalsContact C-N 3.34Å; Q292-K294 PolarHBondContact O-N 3Å
295Q59.5Low55Low146 Ų146140 Ų14068%0.68267%0.672SS**Hα-helixtrans-81.3-37.3171.2-73.8178.63.300111.9E291 Q292 F293 K298E291-Q295 WeakPolarHBondContact O-CG 3.41Å; E291-Q295 PolarHBondContact O-N 3.39Å; Q292-Q295 PolarHBondContact O-N 3.26Å; F293-Q295 VanDerWaalsContact C-N 3.34Å; Q295-K298 PolarHBondContact O-N 3.39Å
296Q53.9Low54.5Low139 Ų139145.2 Ų145.265%0.6570%0.695SS**Hα-helixtrans-72.1-30.1174.9-80.9174.5-15.400113.5Q292 F293 K298 E299Q292-Q296 WeakPolarHBondContact O-CB 3.3Å; Q292-Q296 PolarHBondContact O-N 3.06Å; F293-Q296 PolarHBondContact O-N 3.14Å; Q296-K298 PolarHBondContact O-N 3.18Å; Q296-E299 PolarHBondContact O-N 2.91Å
297L53.9Low54.2Low124 Ų124141.2 Ų141.265%0.64970%0.697SS**THydrogen-bonded Turntrans-71.5-1.7172.9-84.8162000114.7F293F293-L297 HydrophobicContact CD1-CD1 3.5Å; F293-L297 VanDerWaalsContact CD1-CD1 3.5Å; F293-L297 HydrophobicContact CD1-CG 4.44Å; F293-L297 HydrophobicContact CE1-CD1 3.38Å; F293-L297 HydrophobicContact CE1-CG 4.3Å; F293-L297 HydrophobicContact CG-CD1 4.35Å; F293-L297 HydrophobicContact CZ-CD1 4.15Å; F293-L297 WeakPolarHBondContact O-CB 3.29Å; F293-L297 WeakPolarHBondContact O-CD1 3.28Å; F293-L297 WeakPolarHBondContact O-CG 3.46Å; F293-L297 PolarHBondContact O-N 3.47Å
298K53.1Low53.5Low192 Ų192145.2 Ų145.284%0.83571%0.711SS**THydrogen-bonded Turntrans-98.2-6.3172.8-111177.8-179.4177.10113.7Q295 Q296Q295-K298 PolarHBondContact O-N 3.39Å; Q296-K298 PolarHBondContact O-N 3.18Å
299E47Very low53.1Low158 Ų158148 Ų14874%0.73873%0.728SS**SBendtrans-94.1120.5158.1-82.7-176.6142.300107.7Q296Q296-E299 PolarHBondContact O-N 2.91Å
300K48.3Very low52.8Low193 Ų193150.7 Ų150.784%0.83974%0.74SS**PPolyproline II helixtrans-59.3140.1173-82.1-178.3166.6-168.10109.2
301P41.1Very low52.4Low115 Ų115148.5 Ų148.575%0.74774%0.736SS**PPolyproline II helixtrans-59.9140.4160.2-10.125000108.8E303P301-E303 PolarHBondContact O-N 3.24Å
302S41.8Very low52.3Low100 Ų100146.2 Ų146.270%0.69973%0.728SS**PPolyproline II helixtrans-54.9117161.243.70000108.5D304S302-D304 PolarHBondContact O-N 2.81Å
303E38.7Very low52.4Low185 Ų185146.8 Ų146.886%0.86474%0.741SS**  trans-65.2104.8163.9-76.4174.5174.500106.7P301 M305P301-E303 PolarHBondContact O-N 3.24Å; E303-M305 PolarHBondContact O-N 3.36Å
304D38.8Very low52.9Low146 Ų146151.1 Ų151.178%0.78175%0.753SS**  trans-57.6119.6162.4-75.7-41.4000107.7S302 E306S302-D304 PolarHBondContact O-N 2.81Å; D304-E306 PolarHBondContact O-N 3.35Å
305M43Very low53.2Low183 Ų183147.4 Ų147.490%0.90174%0.744SS**  trans-61.5102.9178.9-80.7-105.5-9300110.2E303 S307E303-M305 PolarHBondContact O-N 3.36Å; M305-S307 PolarHBondContact O-N 3.41Å
306E47.8Very low53.4Low185 Ų185146.3 Ų146.386%0.86475%0.753SS**  trans-59.4120157-73.6-178.7165.900108.2D304 N308D304-E306 PolarHBondContact O-N 3.35Å; E306-N308 PolarHBondContact O-N 2.65Å; E306-N308 VanDerWaalsContact O-N 3.11Å
307S52.6Low54.1Low114 Ų114145.8 Ų145.880%0.79775%0.753SS**  trans-46.6109.3-178.451.10000112.7M305M305-S307 PolarHBondContact O-N 3.41Å
308N51.2Low54.7Low136 Ų136144 Ų14473%0.72776%0.757SS**  trans-85.2115.6172.9-135.9-12.3000109.3E306 F310E306-N308 PolarHBondContact O-N 2.65Å; E306-N308 VanDerWaalsContact O-N 3.11Å; N308-F310 PolarHBondContact O-N 3.29Å
309T57.7Low55.2Low129 Ų129140.4 Ų140.479%0.79175%0.753SS**THydrogen-bonded Turntrans-68.67.1-172.2-28.90000114.6
310F59.2Low55.9Low199 Ų199137.8 Ų137.887%0.87375%0.751SS**THydrogen-bonded Turntrans-126.229-174.7-68.3-79.6000113.7N308N308-F310 PolarHBondContact O-N 3.29Å
311F59.5Low56.5Low141 Ų141138.1 Ų138.162%0.61876%0.756SS**  trans-104.3116.7175.5-169.1-100.8000110.8P313F311-P313 WeakPolarHBondContact O-CD 3.34Å
312D66.5Low57.5Low85 Ų85143.1 Ų143.146%0.45576%0.76SS.*  trans-86.2114.2175.8-171.6-19000110.4R314 V315D312-R314 PolarHBondContact O-N 3.18Å; D312-R314 PolarHBondContact OD1-N 3.29Å; D312-R314 IonicContact OD1-NE 2.68Å; D312-V315 PolarHBondContact O-N 2.97Å
313P66.3Low58.7Low117 Ų117147.4 Ų147.476%0.7677%0.769SS**THydrogen-bonded Turntrans-65-9.5-177.5-2133.9000115.3F311F311-P313 WeakPolarHBondContact O-CD 3.34Å
314R70.2Confident60.1Low224 Ų224149.9 Ų149.985%0.84577%0.771SS**THydrogen-bonded Turntrans-85.8-7.3-178.6-69.3-179-106.2179.7-8.7114.1D312D312-R314 PolarHBondContact O-N 3.18Å; D312-R314 PolarHBondContact OD1-N 3.29Å; D312-R314 IonicContact OD1-NE 2.68Å
315V67.5Low61.5Low85 Ų85154.8 Ų154.852%0.51578%0.778SS.*SBendtrans-106.8110.9-178.8-174.30000110.1D312 I317D312-V315 PolarHBondContact O-N 2.97Å; V315-I317 HydrophobicContact CG1-CG1 4.2Å; V315-I317 PolarHBondContact O-N 3.17Å
316S64Low63Low123 Ų123152.1 Ų152.186%0.8677%0.772SS**  trans-79.5104.1175.658.50000110.9
317I68.1Low64Low128 Ų128152.1 Ų152.166%0.65677%0.77SS**  trans-94.4113.6173.3-56.5173.2000108.3V315V315-I317 HydrophobicContact CG1-CG1 4.2Å; V315-I317 PolarHBondContact O-N 3.17Å
318A67.1Low65.1Low87 Ų87155.3 Ų155.372%0.71977%0.769SS**  trans-65.6130.9173.500000110.2S320A318-S320 PolarHBondContact O-N 3.39Å
319P63.2Low66.4Low116 Ų116157.6 Ų157.675%0.75377%0.773SS**  trans-65.3131.9-179.324.9-32.4000111Q321P319-Q321 PolarHBondContact O-N 3.01Å; P319-Q321 VanDerWaalsContact O-N 3.07Å
320S61.8Low67.6Low102 Ų102155.9 Ų155.971%0.71376%0.756SS**  trans-58.1109.3175.8154.20000111.1A318 R322A318-S320 PolarHBondContact O-N 3.39Å; S320-R322 PolarHBondContact O-N 3.26Å; S320-R322 VanDerWaalsContact O-N 3.13Å
321Q61.2Low68.7Low201 Ų201152.8 Ų152.894%0.93975%0.749SS**  trans-68.9-2.3-179.8-81.9-175.5-16.100115.5P319P319-Q321 PolarHBondContact O-N 3.01Å; P319-Q321 VanDerWaalsContact O-N 3.07Å
322R61.9Low69.8Low219 Ų219156.5 Ų156.583%0.82677%0.765SS**SBendtrans-97.4112.5174.6-82-174.3-179.5-179.32.1111S320 R324S320-R322 PolarHBondContact O-N 3.26Å; S320-R322 VanDerWaalsContact O-N 3.13Å; R322-R324 PolarHBondContact O-N 3.23Å
323Q66.4Low70.7Confident190 Ų190153.4 Ų153.489%0.88875%0.752SS**  trans-55.8122.4165.2-67.6-175.8-9.600109.3R325Q323-R325 PolarHBondContact O-N 3.04Å
324R67.3Low71.7Confident238 Ų238152.7 Ų152.790%0.89874%0.737SS**  trans-65.1119.2175.4-72.2-169.8169.8-163.7-1.7108.8R322 T326R322-R324 PolarHBondContact O-N 3.23Å; R324-T326 PolarHBondContact O-N 3.21Å
325R69.2Low72.5Confident248 Ų248147.7 Ų147.794%0.93672%0.722SS**  trans-66.7115.3177.9-64.2178.5103.1177.56.1108.5Q323Q323-R325 PolarHBondContact O-N 3.04Å
326T74Confident73.5Confident128 Ų128150 Ų15079%0.78573%0.727SS**  trans-76146.4171.947.70000110.2R324 K328R324-T326 PolarHBondContact O-N 3.21Å; T326-K328 PolarHBondContact O-N 2.76Å
327F70.1Confident74.7Confident185 Ų185151 Ų15181%0.81172%0.716SS**  trans-67.7113.8176.6-69.9-76.4000110F329F327-F329 HydrophobicContact CB-CD2 4.24Å; F327-F329 HydrophobicContact CB-CE2 3.72Å; F327-F329 HydrophobicContact CB-CZ 4.3Å
328K75.6Confident75.7Confident181 Ų181148.8 Ų148.879%0.78770%0.704SS**  trans-96.991.3175-160.3173.3-173.6176.80108.9T326 H330T326-K328 PolarHBondContact O-N 2.76Å; K328-H330 PolarHBondContact O-ND1 2.91Å
329F78.6Confident76.8Confident183 Ų183146.4 Ų146.480%0.80369%0.685SS**PPolyproline II helixtrans-64.6136.3175.1-71-85.3000110F327F327-F329 HydrophobicContact CB-CD2 4.24Å; F327-F329 HydrophobicContact CB-CE2 3.72Å; F327-F329 HydrophobicContact CB-CZ 4.3Å
330H81.3Confident78.2Confident93 Ų93145.9 Ų145.943%0.43167%0.672SS.*PPolyproline II helixtrans-100.1139.2176.2-69.381.1000108.8K328 K334 F335K328-H330 PolarHBondContact O-ND1 2.91Å; H330-K334 HydrophobicContact CB-CD 4.49Å; H330-F335 HydrophobicContact CB-CD2 4.22Å; H330-F335 HydrophobicContact CB-CE2 3.49Å; H330-F335 VanDerWaalsContact CB-CE2 3.49Å; H330-F335 HydrophobicContact CB-CZ 4.22Å; H330-F335 AromaticContact CD2-CE2 3.79Å; H330-F335 AromaticContact CD2-CZ 3.6Å; H330-F335 AromaticContact CE1-CZ 3.87Å; H330-F335 AromaticContact CG-CE2 3.37Å; H330-F335 AromaticContact CG-CZ 3.62Å; H330-F335 AromaticContact ND1-CE2 3.71Å; H330-F335 AromaticContact ND1-CZ 3.79Å; H330-F335 AromaticContact NE2-CZ 3.77Å
331D83.3Confident79.6Confident135 Ų135149.5 Ų149.572%0.72267%0.67SS**PPolyproline II helixtrans-58.2140.5178.9-54.8-39.7000111.2G333 K334D331-G333 PolarHBondContact O-N 3.18Å; D331-K334 WeakPolarHBondContact O-CB 3.42Å; D331-K334 PolarHBondContact O-N 3.2Å; D331-K334 VanDerWaalsContact O-N 3.16Å
332K81.6Confident81.1Confident219 Ų219145.8 Ų145.895%0.95266%0.656SS**THydrogen-bonded Turntrans-54.1134.1-179.8-66.5-174.2177.8-175.90109.9
333G85.4Confident82.5Confident19 Ų19142.7 Ų142.720%0.19665%0.645CS.*THydrogen-bonded Turntrans85.3-6.3179.900000116.2D331 E336 K337D331-G333 PolarHBondContact O-N 3.18Å; G333-E336 PolarHBondContact O-N 3.41Å; G333-K337 WeakPolarHBondContact O-CG 3.27Å; G333-K337 PolarHBondContact O-N 3.24Å
334K88.5Confident83.6Confident102 Ų102137.1 Ų137.144%0.44362%0.623SS.*Hα-helixtrans-61.7-47.8176-175.9-178.7178.4179.60111.9H330 D331 I338H330-K334 HydrophobicContact CB-CD 4.49Å; D331-K334 WeakPolarHBondContact O-CB 3.42Å; D331-K334 PolarHBondContact O-N 3.2Å; D331-K334 VanDerWaalsContact O-N 3.16Å; K334-I338 HydrophobicContact CG-CD1 4.11Å; K334-I338 WeakPolarHBondContact O-CD1 3.28Å; K334-I338 VanDerWaalsContact O-CG1 3.25Å; K334-I338 WeakPolarHBondContact O-CG1 3.33Å; K334-I338 PolarHBondContact O-N 2.64Å; K334-I338 VanDerWaalsContact O-N 3.11Å
335F87.3Confident84.9Confident120 Ų120132.4 Ų132.453%0.52661%0.61SS.*Hα-helixtrans-74.5-29.1179.3-66.9-68.3000112.6H330 I338 A339H330-F335 HydrophobicContact CB-CD2 4.22Å; H330-F335 HydrophobicContact CB-CE2 3.49Å; H330-F335 VanDerWaalsContact CB-CE2 3.49Å; H330-F335 HydrophobicContact CB-CZ 4.22Å; H330-F335 AromaticContact CD2-CE2 3.79Å; H330-F335 AromaticContact CD2-CZ 3.6Å; H330-F335 AromaticContact CE1-CZ 3.87Å; H330-F335 AromaticContact CG-CE2 3.37Å; H330-F335 AromaticContact CG-CZ 3.62Å; H330-F335 AromaticContact ND1-CE2 3.71Å; H330-F335 AromaticContact ND1-CZ 3.79Å; H330-F335 AromaticContact NE2-CZ 3.77Å; F335-I338 HydrophobicContact CD1-CD1 4.18Å; F335-I338 PolarHBondContact O-N 3.44Å; F335-A339 VanDerWaalsContact O-CB 3.23Å; F335-A339 WeakPolarHBondContact O-CB 2.82Å; F335-A339 PolarHBondContact O-N 2.67Å
336E87.9Confident85.9Confident132 Ų132123.2 Ų123.262%0.61759%0.587SS**Hα-helixtrans-63.7-45172.3-67.3172.7179.900111.1G333 I338 A339 Q340G333-E336 PolarHBondContact O-N 3.41Å; E336-I338 VanDerWaalsContact C-N 3.34Å; E336-I338 PolarHBondContact O-N 3.49Å; E336-A339 PolarHBondContact O-N 3.45Å; E336-Q340 WeakPolarHBondContact O-CB 3.37Å; E336-Q340 WeakPolarHBondContact O-CG 3.33Å; E336-Q340 PolarHBondContact O-N 2.58Å
337K88.9Confident86.6Confident146 Ų146123.2 Ų123.264%0.63558%0.578SS**Hα-helixtrans-63.4-38.6174.4-72.4176.8-177.6179.30112.3G333 R341G333-K337 WeakPolarHBondContact O-CG 3.27Å; G333-K337 PolarHBondContact O-N 3.24Å; K337-R341 WeakPolarHBondContact O-CB 3.46Å; K337-R341 PolarHBondContact O-N 2.98Å
338I89.7Confident87.6Confident80 Ų80120 Ų12041%0.4157%0.569SS.*Hα-helixtrans-66.3-44.1175.7-68164.6000110.4K334 F335 E336 R341 L342K334-I338 HydrophobicContact CG-CD1 4.11Å; K334-I338 WeakPolarHBondContact O-CD1 3.28Å; K334-I338 VanDerWaalsContact O-CG1 3.25Å; K334-I338 WeakPolarHBondContact O-CG1 3.33Å; K334-I338 PolarHBondContact O-N 2.64Å; K334-I338 VanDerWaalsContact O-N 3.11Å; F335-I338 HydrophobicContact CD1-CD1 4.18Å; F335-I338 PolarHBondContact O-N 3.44Å; E336-I338 VanDerWaalsContact C-N 3.34Å; E336-I338 PolarHBondContact O-N 3.49Å; I338-R341 PolarHBondContact O-N 2.98Å; I338-L342 WeakPolarHBondContact O-CB 3.47Å; I338-L342 PolarHBondContact O-N 3.37Å
339A89.1Confident88.3Confident37 Ų37117.5 Ų117.531%0.30656%0.56SS.*Hα-helixtrans-67.2-38.7178.700000112.2F335 E336 L342 R343F335-A339 VanDerWaalsContact O-CB 3.23Å; F335-A339 WeakPolarHBondContact O-CB 2.82Å; F335-A339 PolarHBondContact O-N 2.67Å; E336-A339 PolarHBondContact O-N 3.45Å; A339-L342 PolarHBondContact O-N 3.4Å; A339-R343 WeakPolarHBondContact O-CB 3.33Å; A339-R343 WeakPolarHBondContact O-CG 3.35Å; A339-R343 PolarHBondContact O-N 3.36Å
340Q92.6Very high88.8Confident106 Ų106116.2 Ų116.250%0.49555%0.553SS.*Hα-helixtrans-63.9-44.7173-76.9174.7-2.500111E336 L342 R343 T344E336-Q340 WeakPolarHBondContact O-CB 3.37Å; E336-Q340 WeakPolarHBondContact O-CG 3.33Å; E336-Q340 PolarHBondContact O-N 2.58Å; Q340-L342 VanDerWaalsContact C-N 3.28Å; Q340-L342 PolarHBondContact O-N 3.18Å; Q340-R343 PolarHBondContact O-N 3.46Å; Q340-T344 WeakPolarHBondContact O-CG2 3.28Å; Q340-T344 PolarHBondContact O-N 2.76Å; Q340-T344 PolarHBondContact O-OG1 3.03Å
341R90.8Very high89.1Confident178 Ų178116.2 Ų116.267%0.67256%0.556SS**Hα-helixtrans-62-36.1174.6-170.6-177.5-68.5148.9-3.3112.4K337 I338 T344 K345K337-R341 WeakPolarHBondContact O-CB 3.46Å; K337-R341 PolarHBondContact O-N 2.98Å; I338-R341 PolarHBondContact O-N 2.98Å; R341-T344 WeakPolarHBondContact CA-OG1 3.43Å; R341-T344 PolarHBondContact O-OG1 2.93Å; R341-T344 VanDerWaalsContact O-OG1 3.09Å; R341-K345 VanDerWaalsContact O-CB 3.26Å; R341-K345 WeakPolarHBondContact O-CB 3.28Å; R341-K345 PolarHBondContact O-N 2.96Å
342L92.9Very high89.1Confident123 Ų123116.5 Ų116.564%0.64455%0.553SS**Hα-helixtrans-66.9-43.7175.3-162.684.2000111I338 A339 Q340 K345 A346I338-L342 WeakPolarHBondContact O-CB 3.47Å; I338-L342 PolarHBondContact O-N 3.37Å; A339-L342 PolarHBondContact O-N 3.4Å; Q340-L342 VanDerWaalsContact C-N 3.28Å; Q340-L342 PolarHBondContact O-N 3.18Å; L342-K345 PolarHBondContact O-N 3.23Å; L342-A346 WeakPolarHBondContact O-CB 3.3Å; L342-A346 PolarHBondContact O-N 3.49Å
343R92.5Very high89.2Confident154 Ų154108 Ų10858%0.58152%0.524SS*.Hα-helixtrans-63.8-45.2176.4-81.2-176.2-95156-12.3112.4A339 Q340 K345 A346 Q347A339-R343 WeakPolarHBondContact O-CB 3.33Å; A339-R343 WeakPolarHBondContact O-CG 3.35Å; A339-R343 PolarHBondContact O-N 3.36Å; Q340-R343 PolarHBondContact O-N 3.46Å; R343-K345 VanDerWaalsContact C-N 3.34Å; R343-K345 PolarHBondContact O-N 3.14Å; R343-A346 PolarHBondContact O-N 3.42Å; R343-Q347 WeakPolarHBondContact O-CG 3.25Å; R343-Q347 PolarHBondContact O-N 2.8Å
344T89.1Confident89.3Confident72 Ų72112.8 Ų112.844%0.44254%0.541SS..Hα-helixtrans-65.8-38.3176.856.60000111.5Q340 R341 Q347 L348Q340-T344 WeakPolarHBondContact O-CG2 3.28Å; Q340-T344 PolarHBondContact O-N 2.76Å; Q340-T344 PolarHBondContact O-OG1 3.03Å; R341-T344 WeakPolarHBondContact CA-OG1 3.43Å; R341-T344 PolarHBondContact O-OG1 2.93Å; R341-T344 VanDerWaalsContact O-OG1 3.09Å; T344-Q347 PolarHBondContact O-N 3.45Å; T344-L348 WeakPolarHBondContact O-CG 3.49Å; T344-L348 PolarHBondContact O-N 3.32Å
345K93.6Very high88.8Confident140 Ų140113.6 Ų113.661%0.60955%0.549SS*.Hα-helixtrans-60.4-45.7172.3-174.2-175.4175.6-169.70111.8R341 L342 R343 Q347 L348 E349R341-K345 VanDerWaalsContact O-CB 3.26Å; R341-K345 WeakPolarHBondContact O-CB 3.28Å; R341-K345 PolarHBondContact O-N 2.96Å; L342-K345 PolarHBondContact O-N 3.23Å; R343-K345 VanDerWaalsContact C-N 3.34Å; R343-K345 PolarHBondContact O-N 3.14Å; K345-Q347 VanDerWaalsContact C-N 3.35Å; K345-Q347 PolarHBondContact O-N 3.45Å; K345-L348 PolarHBondContact O-N 3.48Å; K345-E349 WeakPolarHBondContact O-CB 3.41Å; K345-E349 PolarHBondContact O-N 2.73Å
346A90.9Very high88.1Confident55 Ų55110 Ų11046%0.45554%0.539SS..Hα-helixtrans-65.1-37.1177.800000112.3L342 R343 E349 K350L342-A346 WeakPolarHBondContact O-CB 3.3Å; L342-A346 PolarHBondContact O-N 3.49Å; R343-A346 PolarHBondContact O-N 3.42Å; A346-E349 PolarHBondContact O-N 2.85Å; A346-K350 WeakPolarHBondContact O-CB 3.42Å; A346-K350 PolarHBondContact O-N 2.98Å
347Q89.8Confident87.7Confident128 Ų128109 Ų10960%0.59854%0.535SS*.Hα-helixtrans-65.9-42.2174-76.6179.7-19.300112.2R343 T344 K345 E349 K350 L351R343-Q347 WeakPolarHBondContact O-CG 3.25Å; R343-Q347 PolarHBondContact O-N 2.8Å; T344-Q347 PolarHBondContact O-N 3.45Å; K345-Q347 VanDerWaalsContact C-N 3.35Å; K345-Q347 PolarHBondContact O-N 3.45Å; Q347-E349 VanDerWaalsContact C-N 3.34Å; Q347-K350 PolarHBondContact O-N 3Å; Q347-L351 WeakPolarHBondContact O-CB 3.29Å; Q347-L351 WeakPolarHBondContact O-CG 3.07Å; Q347-L351 PolarHBondContact O-N 3Å
348L90.2Very high87Confident118 Ų118104.5 Ų104.562%0.61852%0.524SS*.Hα-helixtrans-64.3-39.4174.8-73.4174.1000111.9T344 K345 L351 Q352T344-L348 WeakPolarHBondContact O-CG 3.49Å; T344-L348 PolarHBondContact O-N 3.32Å; K345-L348 PolarHBondContact O-N 3.48Å; L348-L351 PolarHBondContact O-N 3.32Å; L348-Q352 VanDerWaalsContact O-CB 3.24Å; L348-Q352 WeakPolarHBondContact O-CB 3.36Å; L348-Q352 PolarHBondContact O-N 3.11Å
349E89.6Confident85.9Confident128 Ų128102 Ų10260%0.59852%0.516SS*.Hα-helixtrans-65.1-40.5175.2-174.2170.1-16800111.7K345 A346 Q347 Q352 A353K345-E349 WeakPolarHBondContact O-CB 3.41Å; K345-E349 PolarHBondContact O-N 2.73Å; A346-E349 PolarHBondContact O-N 2.85Å; Q347-E349 VanDerWaalsContact C-N 3.34Å; E349-Q352 PolarHBondContact O-N 3.45Å; E349-A353 WeakPolarHBondContact O-CB 3.03Å; E349-A353 PolarHBondContact O-N 3.49Å
350K89.6Confident84.9Confident155 Ų155109 Ų10967%0.67453%0.534SS*.Hα-helixtrans-64.4-45.6174.3-170.3176.8-179.5179.30112A346 Q347 Q352 A353 E354A346-K350 WeakPolarHBondContact O-CB 3.42Å; A346-K350 PolarHBondContact O-N 2.98Å; Q347-K350 PolarHBondContact O-N 3Å; K350-Q352 VanDerWaalsContact C-N 3.33Å; K350-Q352 PolarHBondContact O-N 2.95Å; K350-A353 PolarHBondContact O-N 2.67Å; K350-E354 WeakPolarHBondContact O-CB 3.34Å; K350-E354 PolarHBondContact O-N 3.36Å
351L87Confident83.9Confident93 Ų93112.5 Ų112.549%0.48755%0.548SS..Hα-helixtrans-62.2-41.3174.7-76.1169.4000111.4Q347 L348 E354 I355Q347-L351 WeakPolarHBondContact O-CB 3.29Å; Q347-L351 WeakPolarHBondContact O-CG 3.07Å; Q347-L351 PolarHBondContact O-N 3Å; L348-L351 PolarHBondContact O-N 3.32Å; L351-E354 PolarHBondContact O-N 3.24Å; L351-I355 WeakPolarHBondContact O-CB 3.47Å; L351-I355 WeakPolarHBondContact O-CD1 3.19Å; L351-I355 WeakPolarHBondContact O-CG1 3.31Å; L351-I355 PolarHBondContact O-N 2.86Å
352Q83.6Confident82.8Confident141 Ų141108.1 Ų108.166%0.65954%0.541SS*.Hα-helixtrans-64.1-41175.8-174.8175.55.600111.7L348 E349 K350 S356L348-Q352 VanDerWaalsContact O-CB 3.24Å; L348-Q352 WeakPolarHBondContact O-CB 3.36Å; L348-Q352 PolarHBondContact O-N 3.11Å; E349-Q352 PolarHBondContact O-N 3.45Å; K350-Q352 VanDerWaalsContact C-N 3.33Å; K350-Q352 PolarHBondContact O-N 2.95Å; Q352-S356 WeakPolarHBondContact O-CB 3.33Å; Q352-S356 PolarHBondContact O-N 3.14Å; Q352-S356 PolarHBondContact O-OG 2.75Å
353A84.7Confident81.1Confident42 Ų42103.4 Ų103.435%0.34752%0.522SS..Hα-helixtrans-64-43.7174.500000111.3E349 K350 S356 Q357E349-A353 WeakPolarHBondContact O-CB 3.03Å; E349-A353 PolarHBondContact O-N 3.49Å; K350-A353 PolarHBondContact O-N 2.67Å; A353-S356 WeakPolarHBondContact CA-OG 3.49Å; A353-S356 PolarHBondContact O-N 3.37Å; A353-S356 PolarHBondContact O-OG 2.91Å; A353-Q357 WeakPolarHBondContact O-CG 3.35Å; A353-Q357 PolarHBondContact O-N 2.99Å
354E86.4Confident79.8Confident118 Ų118101 Ų10155%0.55152%0.519SS*.Hα-helixtrans-65-44.2178.1-169168.2-166.900112.1K350 L351 S356 Q357 A358K350-E354 WeakPolarHBondContact O-CB 3.34Å; K350-E354 PolarHBondContact O-N 3.36Å; L351-E354 PolarHBondContact O-N 3.24Å; E354-S356 VanDerWaalsContact C-N 3.3Å; E354-S356 PolarHBondContact O-N 2.77Å; E354-Q357 PolarHBondContact O-N 3.04Å; E354-A358 WeakPolarHBondContact O-CB 3.39Å; E354-A358 PolarHBondContact O-N 3.48Å
355I79.4Confident78.5Confident120 Ų120102.4 Ų102.462%0.61552%0.521SS*.Hα-helixtrans-59.8-42.1171.6-68.4164.9000110.4L351 A358 A359L351-I355 WeakPolarHBondContact O-CB 3.47Å; L351-I355 WeakPolarHBondContact O-CD1 3.19Å; L351-I355 WeakPolarHBondContact O-CG1 3.31Å; L351-I355 PolarHBondContact O-N 2.86Å; I355-A358 PolarHBondContact O-N 3.31Å; I355-A359 VanDerWaalsContact O-CB 3.28Å; I355-A359 WeakPolarHBondContact O-CB 2.89Å; I355-A359 PolarHBondContact O-N 3.21Å
356S72.8Confident76.8Confident44 Ų4498.6 Ų98.631%0.30851%0.509SS..Hα-helixtrans-67.5-36.3178.480.10000113Q352 A353 E354 R360Q352-S356 WeakPolarHBondContact O-CB 3.33Å; Q352-S356 PolarHBondContact O-N 3.14Å; Q352-S356 PolarHBondContact O-OG 2.75Å; A353-S356 WeakPolarHBondContact CA-OG 3.49Å; A353-S356 PolarHBondContact O-N 3.37Å; A353-S356 PolarHBondContact O-OG 2.91Å; E354-S356 VanDerWaalsContact C-N 3.3Å; E354-S356 PolarHBondContact O-N 2.77Å; S356-R360 VanDerWaalsContact O-CG 3.29Å; S356-R360 WeakPolarHBondContact O-CG 3.47Å; S356-R360 PolarHBondContact O-N 3.2Å
357Q78.3Confident75.1Confident112 Ų11299.5 Ų99.552%0.52351%0.512SS..Hα-helixtrans-71.6-40.9175.5-74.5-178.57.400111.2A353 E354 R360 K361A353-Q357 WeakPolarHBondContact O-CG 3.35Å; A353-Q357 PolarHBondContact O-N 2.99Å; E354-Q357 PolarHBondContact O-N 3.04Å; Q357-R360 PolarHBondContact O-N 3.42Å; Q357-K361 WeakPolarHBondContact O-CB 3.4Å; Q357-K361 WeakPolarHBondContact O-CG 3.32Å; Q357-K361 PolarHBondContact O-N 3.25Å
358A74.8Confident73.7Confident50 Ų5096.8 Ų96.841%0.41351%0.505SS..Hα-helixtrans-61-45173.100000111.1E354 I355 R360 K361 T362E354-A358 WeakPolarHBondContact O-CB 3.39Å; E354-A358 PolarHBondContact O-N 3.48Å; I355-A358 PolarHBondContact O-N 3.31Å; A358-R360 VanDerWaalsContact C-N 3.3Å; A358-R360 PolarHBondContact O-N 2.94Å; A358-K361 PolarHBondContact O-N 3.31Å; A358-T362 WeakPolarHBondContact O-CG2 3.22Å; A358-T362 PolarHBondContact O-N 3.04Å; A358-T362 PolarHBondContact O-OG1 3.19Å; A358-T362 VanDerWaalsContact O-OG1 3.1Å
359A66.8Low72.3Confident28 Ų2895.1 Ų95.123%0.23149%0.49CS..Hα-helixtrans-65.8-28.1176.500000114I355 T362 H365I355-A359 VanDerWaalsContact O-CB 3.28Å; I355-A359 WeakPolarHBondContact O-CB 2.89Å; I355-A359 PolarHBondContact O-N 3.21Å; A359-T362 WeakPolarHBondContact CA-OG1 3.43Å; A359-T362 PolarHBondContact O-OG1 3.36Å; A359-H365 HydrophobicContact CB-CB 4.36Å; A359-H365 PolarHBondContact O-N 2.85Å
360R67.9Low70.9Confident184 Ų18492 Ų9269%0.69448%0.477SS*.Hα-helixtrans-74.2-43.2170.7-75.8175.9-175.1-173.63.1111.8S356 Q357 A358 T362 G363S356-R360 VanDerWaalsContact O-CG 3.29Å; S356-R360 WeakPolarHBondContact O-CG 3.47Å; S356-R360 PolarHBondContact O-N 3.2Å; Q357-R360 PolarHBondContact O-N 3.42Å; A358-R360 VanDerWaalsContact C-N 3.3Å; A358-R360 PolarHBondContact O-N 2.94Å; R360-T362 VanDerWaalsContact C-N 3.3Å; R360-T362 PolarHBondContact O-N 3.08Å; R360-G363 PolarHBondContact O-N 2.8Å
361K71.9Confident69.5Low179 Ų17987.1 Ų87.178%0.77847%0.466SS*.Hα-helixtrans-64.8-31.8178.2-75.7177178.6179.90112.8Q357 A358 G363Q357-K361 WeakPolarHBondContact O-CB 3.4Å; Q357-K361 WeakPolarHBondContact O-CG 3.32Å; Q357-K361 PolarHBondContact O-N 3.25Å; A358-K361 PolarHBondContact O-N 3.31Å; K361-G363 VanDerWaalsContact C-N 3.32Å
362T67Low68.4Low87 Ų8789.2 Ų89.253%0.53448%0.477SS..THydrogen-bonded Turntrans-83.7-2.8177.756.30000114A358 A359 R360 I364A358-T362 WeakPolarHBondContact O-CG2 3.22Å; A358-T362 PolarHBondContact O-N 3.04Å; A358-T362 PolarHBondContact O-OG1 3.19Å; A358-T362 VanDerWaalsContact O-OG1 3.1Å; A359-T362 WeakPolarHBondContact CA-OG1 3.43Å; A359-T362 PolarHBondContact O-OG1 3.36Å; R360-T362 VanDerWaalsContact C-N 3.3Å; R360-T362 PolarHBondContact O-N 3.08Å; T362-I364 PolarHBondContact O-N 3.18Å
363G57.6Low67.1Low23 Ų2383.8 Ų83.824%0.23745%0.452CS..SBendtrans66.3-3.5-178.200000115R360 K361 H365 T366 S367R360-G363 PolarHBondContact O-N 2.8Å; K361-G363 VanDerWaalsContact C-N 3.32Å; G363-H365 VanDerWaalsContact C-N 3.28Å; G363-H365 PolarHBondContact O-N 3.38Å; G363-T366 PolarHBondContact O-N 3.26Å; G363-T366 PolarHBondContact O-OG1 3.38Å; G363-S367 PolarHBondContact O-N 3.06Å; G363-S367 PolarHBondContact O-OG 3.03Å
364I64Low65.5Low104 Ų10484.2 Ų84.253%0.53346%0.455SS..Hα-helixtrans-63.6-37.4-178.7-63.2171.5000110.2T362 T368T362-I364 PolarHBondContact O-N 3.18Å; I364-T368 WeakPolarHBondContact O-CB 3.25Å; I364-T368 PolarHBondContact O-N 3.18Å; I364-T368 PolarHBondContact O-OG1 3.08Å
365H62.3Low63.7Low101 Ų10183.3 Ų83.347%0.46846%0.46SS..Hα-helixtrans-70.6-33.2-179.9-164.5-54.2000112.9A359 G363 R369A359-H365 HydrophobicContact CB-CB 4.36Å; A359-H365 PolarHBondContact O-N 2.85Å; G363-H365 VanDerWaalsContact C-N 3.28Å; G363-H365 PolarHBondContact O-N 3.38Å; H365-R369 VanDerWaalsContact O-CB 3.24Å; H365-R369 WeakPolarHBondContact O-CB 3.46Å; H365-R369 PolarHBondContact O-N 3.31Å; H365-R369 VanDerWaalsContact O-N 3.16Å
366T59Low62.2Low60 Ų6084.6 Ų84.637%0.36846%0.461SS..Hα-helixtrans-75.4-45.1176.638.60000110.7G363 R369 L370 T682G363-T366 PolarHBondContact O-N 3.26Å; G363-T366 PolarHBondContact O-OG1 3.38Å; T366-R369 PolarHBondContact O-N 2.99Å; T366-L370 WeakPolarHBondContact O-CB 3.43Å; T366-L370 VanDerWaalsContact O-CG 3.28Å; T366-L370 WeakPolarHBondContact O-CG 3.37Å; T366-L370 PolarHBondContact O-N 3.25Å; T366-T682 HydrophobicContact CG2-CG2 3.86Å
367S54.5Low61.1Low74 Ų7491 Ų9152%0.51748%0.483SS..Hα-helixtrans-64.7-39.6175.2-580000113.1G363 L370 A371G363-S367 PolarHBondContact O-N 3.06Å; G363-S367 PolarHBondContact O-OG 3.03Å; S367-L370 PolarHBondContact O-N 3.25Å; S367-A371 VanDerWaalsContact O-CB 3.24Å; S367-A371 WeakPolarHBondContact O-CB 3.49Å; S367-A371 PolarHBondContact O-N 3.03Å
368T60.6Low59.6Low72 Ų7292.4 Ų92.444%0.44249%0.49SS..Hα-helixtrans-67-38.8176-55.50000111.4I364 A371 L372I364-T368 WeakPolarHBondContact O-CB 3.25Å; I364-T368 PolarHBondContact O-N 3.18Å; I364-T368 PolarHBondContact O-OG1 3.08Å; T368-A371 PolarHBondContact O-N 2.82Å; T368-L372 HydrophobicContact CG2-CD1 4.11Å; T368-L372 WeakPolarHBondContact O-CD1 3.25Å; T368-L372 WeakPolarHBondContact O-CG 3.38Å; T368-L372 PolarHBondContact O-N 3Å
369R59.7Low58.3Low82 Ų8296.3 Ų96.331%0.30950%0.503SS..Hα-helixtrans-70.2-40.5177.5-163.9177-167.1175.32.1111.8H365 T366 A371 L372 I373 E654H365-R369 VanDerWaalsContact O-CB 3.24Å; H365-R369 WeakPolarHBondContact O-CB 3.46Å; H365-R369 PolarHBondContact O-N 3.31Å; H365-R369 VanDerWaalsContact O-N 3.16Å; T366-R369 PolarHBondContact O-N 2.99Å; R369-A371 VanDerWaalsContact C-N 3.33Å; R369-L372 PolarHBondContact O-N 3.24Å; R369-I373 HydrophobicContact CG-CD1 3.84Å; R369-I373 WeakPolarHBondContact O-CB 3.41Å; R369-I373 WeakPolarHBondContact O-CD1 3.44Å; R369-I373 VanDerWaalsContact O-CG1 3.24Å; R369-I373 WeakPolarHBondContact O-CG1 3.35Å; R369-I373 PolarHBondContact O-N 2.73Å; R369-E654 IonicContact CZ-OE1 2.65Å; R369-E654 IonicContact NE-OE1 3.9Å; R369-E654 IonicContact NH2-OE1 2.97Å; R369-E654 PolarHBondContact NH2-OE1 3.05Å
370L61.8Low57.5Low62 Ų62104 Ų10433%0.32553%0.531SS..Hα-helixtrans-62.5-39.7171.5-72171000111.5T366 S367 L372 I373 A374 V678 L679T366-L370 WeakPolarHBondContact O-CB 3.43Å; T366-L370 VanDerWaalsContact O-CG 3.28Å; T366-L370 WeakPolarHBondContact O-CG 3.37Å; T366-L370 PolarHBondContact O-N 3.25Å; S367-L370 PolarHBondContact O-N 3.25Å; L370-L372 VanDerWaalsContact C-N 3.33Å; L370-L372 PolarHBondContact O-N 2.91Å; L370-I373 PolarHBondContact O-N 3.36Å; L370-A374 WeakPolarHBondContact O-CB 3.48Å; L370-A374 PolarHBondContact O-N 3.04Å; L370-V678 HydrophobicContact CD2-CG1 3.74Å; L370-V678 HydrophobicContact CG-CG1 4.29Å; L370-L679 HydrophobicContact CD2-CD2 4.18Å
371A60.3Low56.6Low53 Ų53104.4 Ų104.444%0.43854%0.541SS..Hα-helixtrans-68.3-27.3176.400000113.9S367 T368 R369S367-A371 VanDerWaalsContact O-CB 3.24Å; S367-A371 WeakPolarHBondContact O-CB 3.49Å; S367-A371 PolarHBondContact O-N 3.03Å; T368-A371 PolarHBondContact O-N 2.82Å; R369-A371 VanDerWaalsContact C-N 3.33Å
372L62.1Low56Low138 Ų13898 Ų9872%0.72353%0.525SS*.Hα-helixtrans-81.3-26.5173.6-75.9161.9000113.1T368 R369 L370T368-L372 HydrophobicContact CG2-CD1 4.11Å; T368-L372 WeakPolarHBondContact O-CD1 3.25Å; T368-L372 WeakPolarHBondContact O-CG 3.38Å; T368-L372 PolarHBondContact O-N 3Å; R369-L372 PolarHBondContact O-N 3.24Å; L370-L372 VanDerWaalsContact C-N 3.33Å; L370-L372 PolarHBondContact O-N 2.91Å
373I57.6Low55.8Low26 Ų26100.9 Ų100.913%0.13354%0.538CS..Hα-helixtrans-92.8-33.5-177-70.8167.6000112.3R369 L370 P375 L674 V678R369-I373 HydrophobicContact CG-CD1 3.84Å; R369-I373 WeakPolarHBondContact O-CB 3.41Å; R369-I373 WeakPolarHBondContact O-CD1 3.44Å; R369-I373 VanDerWaalsContact O-CG1 3.24Å; R369-I373 WeakPolarHBondContact O-CG1 3.35Å; R369-I373 PolarHBondContact O-N 2.73Å; L370-I373 PolarHBondContact O-N 3.36Å; I373-P375 WeakPolarHBondContact O-CD 3.45Å; I373-L674 HydrophobicContact CD1-CD2 4.34Å; I373-L674 HydrophobicContact CD1-CG 4.1Å; I373-L674 HydrophobicContact CG1-CD2 4.12Å; I373-L674 HydrophobicContact CG1-CG 4.35Å; I373-V678 HydrophobicContact CD1-CB 3.96Å; I373-V678 HydrophobicContact CD1-CG1 4.14Å; I373-V678 HydrophobicContact CD1-CG2 3.37Å
374A50Low56.3Low51 Ų51107 Ų10742%0.42156%0.564SS.*SBendtrans-53.3117.116400000105.5L370 K376L370-A374 WeakPolarHBondContact O-CB 3.48Å; L370-A374 PolarHBondContact O-N 3.04Å; A374-K376 PolarHBondContact O-N 3.15Å
375P50.2Low56.8Low100 Ų100106 Ų10665%0.64956%0.564SS**  trans-62.896164.627.9-29.6000103.1I373 K377I373-P375 WeakPolarHBondContact O-CD 3.45Å; P375-K377 PolarHBondContact O-N 2.96Å
376K47.1Very low57.5Low147 Ų147110 Ų11064%0.63958%0.583SS**  trans-60.582.9143.6-58.5-171.2175.2-172.50103.7A374 E378A374-K376 PolarHBondContact O-N 3.15Å; K376-E378 VanDerWaalsContact CA-N 3.29Å; K376-E378 HydrophobicContact CB-CG 3.73Å; K376-E378 HydrophobicContact CD-CG 4.13Å; K376-E378 IonicContact NZ-OE1 2.64Å; K376-E378 PolarHBondContact O-N 3.2Å
377K50.5Low58.5Low178 Ų178109.8 Ų109.877%0.77458%0.579SS**  -52.879.7116.3-99.1-176.9171.6-178.40103.8P375 L379P375-K377 PolarHBondContact O-N 2.96Å; K377-L379 PolarHBondContact O-N 3Å
378E45.2Very low60Low142 Ų142110.6 Ų110.666%0.66457%0.574SS**  -51.286.8118.7-48.3-169.7167.800100.9K376 K380K376-E378 VanDerWaalsContact CA-N 3.29Å; K376-E378 HydrophobicContact CB-CG 3.73Å; K376-E378 HydrophobicContact CD-CG 4.13Å; K376-E378 IonicContact NZ-OE1 2.64Å; K376-E378 PolarHBondContact O-N 3.2Å; E378-K380 PolarHBondContact O-N 3.29Å
379L48.2Very low61.2Low131 Ų131117.1 Ų117.169%0.68659%0.591SS**  -34.9109.7128.8-77.3153.1000100.7K377 E381K377-L379 PolarHBondContact O-N 3Å; L379-E381 PolarHBondContact O-N 3.16Å
380K50.4Low62.4Low189 Ų189118.9 Ų118.982%0.82260%0.598SS**  trans-51.696.6157.5-77.5179.5170.9-173.90102.2E378 G382E378-K380 PolarHBondContact O-N 3.29Å; K380-G382 PolarHBondContact O-N 3.08Å
381E49.4Very low63.3Low194 Ų194117.9 Ų117.991%0.90759%0.593SS**  trans-57.978.3144-85.8179148.600102.4L379L379-E381 PolarHBondContact O-N 3.16Å
382G59Low64.3Low43 Ų43118.2 Ų118.244%0.44359%0.592SS.*SBendtrans-158.371.6-16600000101.8K380K380-G382 PolarHBondContact O-N 3.08Å
383D61.3Low65.3Low149 Ų149119.2 Ų119.280%0.79759%0.587SS**  trans66.287.2177.3-45.7-28.8000112.9P385D383-P385 WeakPolarHBondContact O-CD 3.07Å
384I69Low66.5Low152 Ų152120.1 Ų120.178%0.77959%0.591SS**  trans-51.8112.2147.8-67.6159.8000103.8E386I384-E386 PolarHBondContact O-N 3.35Å
385P74.7Confident67.9Low83 Ų83118.9 Ų118.954%0.53958%0.577SS.*  trans-56.5138.5178.6-23.836.2000107.8D383 I387D383-P385 WeakPolarHBondContact O-CD 3.07Å; P385-I387 WeakPolarHBondContact CB-O 3.25Å; P385-I387 PolarHBondContact O-N 2.84Å
386E76.1Confident68.9Low185 Ų185117 Ų11786%0.86457%0.566SS**SBendtrans-53-28176.9-65.8174.7173.700111.4I384I384-E386 PolarHBondContact O-N 3.35Å
387I80.4Confident69.6Low54 Ų54118 Ų11828%0.27758%0.578SS.*SBendtrans-133.6123.2177.1-56178.8000108.8P385 D391 I395 L401P385-I387 WeakPolarHBondContact CB-O 3.25Å; P385-I387 PolarHBondContact O-N 2.84Å; I387-D391 HydrophobicContact CG2-CB 3.42Å; I387-D391 VanDerWaalsContact CG2-CB 3.42Å; I387-I395 HydrophobicContact CG2-CD1 4.37Å; I387-L401 HydrophobicContact CG1-CD1 4.24Å
388E86.6Confident70.1Confident91 Ų91113.5 Ų113.543%0.42558%0.582SS.*  trans-68.8156.4174.5-66.2-166.5-160.800111.2W390 D391 S392E388-W390 HydrophobicContact CB-CD2 4.43Å; E388-W390 HydrophobicContact CB-CG 4.46Å; E388-W390 HydrophobicContact CB-CZ2 4.12Å; E388-W390 VanDerWaalsContact CB-NE1 3.31Å; E388-W390 HydrophobicContact CG-CZ2 4.39Å; E388-W390 PolarHBondContact O-N 2.9Å; E388-W390 VanDerWaalsContact O-N 3.07Å; E388-W390 PolarHBondContact OE2-NE1 3.21Å; E388-D391 WeakPolarHBondContact O-CB 3.06Å; E388-D391 PolarHBondContact O-N 3.27Å; E388-S392 PolarHBondContact O-N 3.09Å
389W85.2Confident70.9Confident209 Ų209109.8 Ų109.879%0.79256%0.564SS**THydrogen-bonded Turntrans-58.8-27.9-173.661-88.3000113.8S392W389-S392 PolarHBondContact O-OG 3.48Å
390W84.4Confident71.4Confident119 Ų119109.1 Ų109.145%0.45156%0.561SS.*THydrogen-bonded Turntrans-78.4-32.8176.151.5-89.8000112.6E388E388-W390 HydrophobicContact CB-CD2 4.43Å; E388-W390 HydrophobicContact CB-CG 4.46Å; E388-W390 HydrophobicContact CB-CZ2 4.12Å; E388-W390 VanDerWaalsContact CB-NE1 3.31Å; E388-W390 HydrophobicContact CG-CZ2 4.39Å; E388-W390 PolarHBondContact O-N 2.9Å; E388-W390 VanDerWaalsContact O-N 3.07Å; E388-W390 PolarHBondContact OE2-NE1 3.21Å
391D81.8Confident71.8Confident42 Ų42105.5 Ų105.523%0.22555%0.55CS..THydrogen-bonded Turntrans-71.5-37172.4-74.3-51.2000112I387 E388 Y393 I394 I395I387-D391 HydrophobicContact CG2-CB 3.42Å; I387-D391 VanDerWaalsContact CG2-CB 3.42Å; E388-D391 WeakPolarHBondContact O-CB 3.06Å; E388-D391 PolarHBondContact O-N 3.27Å; D391-Y393 PolarHBondContact O-N 3.07Å; D391-Y393 VanDerWaalsContact O-N 3.11Å; D391-I394 PolarHBondContact O-N 3.27Å; D391-I395 HydrophobicContact CB-CD1 4.21Å; D391-I395 PolarHBondContact O-N 3.28Å
392S82Confident72.2Confident59 Ų59101.5 Ų101.541%0.41354%0.539SS..THydrogen-bonded Turntrans-61.2-22.7-179.1740000114E388 W389E388-S392 PolarHBondContact O-N 3.09Å; W389-S392 PolarHBondContact O-OG 3.48Å
393Y82.4Confident72.1Confident160 Ų160107.6 Ų107.663%0.62756%0.556SS**THydrogen-bonded Turntrans-79.3-26.9175.6179-104000112.4D391D391-Y393 PolarHBondContact O-N 3.07Å; D391-Y393 VanDerWaalsContact O-N 3.11Å
394I83.1Confident72.1Confident44 Ų44108.2 Ų108.223%0.22655%0.554CS.*THydrogen-bonded Turntrans-94.1-36.4-172.8-63.8173.1000110.8D391 Y411 F412 I414D391-I394 PolarHBondContact O-N 3.27Å; I394-Y411 HydrophobicContact CG2-CD1 3.67Å; I394-Y411 HydrophobicContact CG2-CE1 4.49Å; I394-Y411 HydrophobicContact CG2-CG 4.26Å; I394-F412 PolarHBondContact O-N 3.4Å; I394-I414 HydrophobicContact CG2-CD1 3.64Å; I394-I414 HydrophobicContact CG2-CG1 4.01Å
395I78.9Confident71.7Confident25 Ų25108.3 Ų108.313%0.12856%0.556CS.*SBendtrans-90.3131-177.3-58.1174.1000109.8I387 D391 F399I387-I395 HydrophobicContact CG2-CD1 4.37Å; D391-I395 HydrophobicContact CB-CD1 4.21Å; D391-I395 PolarHBondContact O-N 3.28Å; I395-F399 HydrophobicContact CG2-CB 3.68Å; I395-F399 HydrophobicContact CG2-CG 4.3Å
396P70.5Confident71Confident62 Ų62105.5 Ų105.540%0.40354%0.538SS..PPolyproline II helixtrans-58.7142173.5-23.733.7000112.8G398 F399 D410P396-G398 PolarHBondContact O-N 2.87Å; P396-F399 PolarHBondContact O-N 3.2Å; P396-D410 VanDerWaalsContact CD-O 3.27Å; P396-D410 WeakPolarHBondContact CD-O 3.37Å; P396-D410 WeakPolarHBondContact CG-O 3.42Å
397N62.8Low70.5Confident167 Ų167103.6 Ų103.689%0.89353%0.527SS*.THydrogen-bonded Turntrans-59.4119.1178.9-68.5-22.2000111.3
398G61.3Low69.6Low84 Ų84111.4 Ų111.487%0.86655%0.553SS**THydrogen-bonded Turntrans103.215.3176.300000115.9P396P396-G398 PolarHBondContact O-N 2.87Å
399F61.4Low68.5Low63 Ų63115.6 Ų115.628%0.27657%0.572SS.*  trans-79121.4173.6-161.3-91.4000111.3I395 P396 E404 P406I395-F399 HydrophobicContact CG2-CB 3.68Å; I395-F399 HydrophobicContact CG2-CG 4.3Å; P396-F399 PolarHBondContact O-N 3.2Å; F399-E404 VanDerWaalsContact CZ-O 3.29Å; F399-E404 WeakPolarHBondContact CZ-O 3.47Å; F399-P406 HydrophobicContact CD1-CG 4.35Å; F399-P406 HydrophobicContact CE1-CB 4.49Å; F399-P406 HydrophobicContact CE1-CG 3.69Å; F399-P406 HydrophobicContact CE2-CB 4.22Å; F399-P406 HydrophobicContact CE2-CG 4.26Å; F399-P406 HydrophobicContact CZ-CB 3.96Å; F399-P406 HydrophobicContact CZ-CG 3.64Å
400D58.9Low67.6Low118 Ų118109.1 Ų109.163%0.63155%0.553SS**  trans-85.4116.1174.8-137.3-19.6000108.4T402D400-T402 PolarHBondContact O-N 2.88Å
401L59.5Low67Low112 Ų112107.4 Ų107.459%0.58655%0.547SS*.THydrogen-bonded Turntrans-64.90.6-174.5-79.1155.2000114.2I387I387-L401 HydrophobicContact CG1-CD1 4.24Å
402T57.7Low66.7Low111 Ų111112.2 Ų112.268%0.68157%0.567SS**THydrogen-bonded Turntrans-98.4-21.1-167.351.10000114.8D400D400-T402 PolarHBondContact O-N 2.88Å
403E57.2Low66.4Low171 Ų171111.8 Ų111.880%0.79957%0.571SS**SBendtrans-109.6-20.7-167.2-70.1-155.2151.800117.7
404E60.6Low66.4Low161 Ų161108.6 Ų108.675%0.75256%0.564SS**  trans-172.8148.2168.8-112.6167.6-160.700110.5F399F399-E404 VanDerWaalsContact CZ-O 3.29Å; F399-E404 WeakPolarHBondContact CZ-O 3.47Å
405N59.6Low66.5Low155 Ų155110.7 Ų110.783%0.82958%0.579SS**PPolyproline II helixtrans-63.9129.1173.6-79.9-30.9000109.5K407N405-K407 PolarHBondContact O-N 2.93Å
406P61.1Low66.9Low24 Ų24116.9 Ų116.916%0.15661%0.612CS.*PPolyproline II helixtrans-56.2136.3178.7-8.112.6000110.2F399 D410 Y411F399-P406 HydrophobicContact CD1-CG 4.35Å; F399-P406 HydrophobicContact CE1-CB 4.49Å; F399-P406 HydrophobicContact CE1-CG 3.69Å; F399-P406 HydrophobicContact CE2-CB 4.22Å; F399-P406 HydrophobicContact CE2-CG 4.26Å; F399-P406 HydrophobicContact CZ-CB 3.96Å; F399-P406 HydrophobicContact CZ-CG 3.64Å; P406-D410 HydrophobicContact CB-CB 4.1Å; P406-Y411 HydrophobicContact CB-CE1 4.12Å; P406-Y411 HydrophobicContact CB-CE2 4.35Å; P406-Y411 HydrophobicContact CG-CE1 3.98Å; P406-Y411 WeakPolarHBondContact CG-OH 3.22Å
407K65Low67.8Low144 Ų144120.6 Ų120.663%0.62663%0.628SS**PPolyproline II helixtrans-67.9154.5172.3-69.2176.4-174.9168.20107.7N405 E409 D410N405-K407 PolarHBondContact O-N 2.93Å; K407-E409 PolarHBondContact O-N 2.81Å; K407-D410 PolarHBondContact N-OD2 3.22Å; K407-D410 WeakPolarHBondContact O-CB 3.48Å; K407-D410 PolarHBondContact O-N 2.92Å
408R62Low69.1Low219 Ų219118.4 Ų118.483%0.82662%0.62SS**THydrogen-bonded Turntrans-55-23.2-177.9-168.5174.4-176.9172.52113.5D410R408-D410 VanDerWaalsContact C-N 3.33Å
409E63.2Low70.3Confident179 Ų179122.4 Ų122.484%0.83662%0.616SS**THydrogen-bonded Turntrans-77.1-17179.6-64.1168.1-164.800113.3K407K407-E409 PolarHBondContact O-N 2.81Å
410D66.1Low71.7Confident73 Ų73127.3 Ų127.339%0.3964%0.64SS.*SBendtrans-89.1-12.9-177.3-56.4-39.1000112.7P396 P406 K407 R408P396-D410 VanDerWaalsContact CD-O 3.27Å; P396-D410 WeakPolarHBondContact CD-O 3.37Å; P396-D410 WeakPolarHBondContact CG-O 3.42Å; P406-D410 HydrophobicContact CB-CB 4.1Å; K407-D410 PolarHBondContact N-OD2 3.22Å; K407-D410 WeakPolarHBondContact O-CB 3.48Å; K407-D410 PolarHBondContact O-N 2.92Å; R408-D410 VanDerWaalsContact C-N 3.33Å
411Y72.2Confident73.2Confident82 Ų82127 Ų12732%0.32264%0.644SS.*  trans-79.2122.3178.2-63.7-65.1000111.5I394 P406 I414I394-Y411 HydrophobicContact CG2-CD1 3.67Å; I394-Y411 HydrophobicContact CG2-CE1 4.49Å; I394-Y411 HydrophobicContact CG2-CG 4.26Å; P406-Y411 HydrophobicContact CB-CE1 4.12Å; P406-Y411 HydrophobicContact CB-CE2 4.35Å; P406-Y411 HydrophobicContact CG-CE1 3.98Å; P406-Y411 WeakPolarHBondContact CG-OH 3.22Å; Y411-I414 HydrophobicContact CD1-CD1 4.44Å; Y411-I414 HydrophobicContact CD2-CD1 4.42Å; Y411-I414 HydrophobicContact CG-CD1 3.97Å
412F74.4Confident74.6Confident144 Ų144125.9 Ų125.963%0.63265%0.651SS**SBendtrans-83.7135175.6-164.9-98.4000110.3I394 I414I394-F412 PolarHBondContact O-N 3.4Å; F412-I414 VanDerWaalsContact C-N 3.33Å; F412-I414 PolarHBondContact O-N 2.95Å
413G76Confident76.1Confident49 Ų49129.4 Ų129.451%0.50566%0.66SS.*SBendtrans82.1-5.1174.500000116.5
414I83.3Confident77.5Confident93 Ų93128.5 Ų128.548%0.47766%0.66SS.*  trans-86.9113.5171.7-57.2-176.8000109.5I394 Y411 F412I394-I414 HydrophobicContact CG2-CD1 3.64Å; I394-I414 HydrophobicContact CG2-CG1 4.01Å; Y411-I414 HydrophobicContact CD1-CD1 4.44Å; Y411-I414 HydrophobicContact CD2-CD1 4.42Å; Y411-I414 HydrophobicContact CG-CD1 3.97Å; F412-I414 VanDerWaalsContact C-N 3.33Å; F412-I414 PolarHBondContact O-N 2.95Å
415T84Confident78.6Confident88 Ų88126.5 Ų126.554%0.5465%0.654SS.*  trans-129.7177.6175.4700000110.8L417T415-L417 PolarHBondContact O-N 2.96Å; T415-L417 WeakPolarHBondContact OG1-CB 3.41Å; T415-L417 PolarHBondContact OG1-N 3.46Å
416N87.9Confident79.8Confident156 Ų156122.4 Ų122.483%0.83464%0.636SS**SBendtrans-78.54.5169.962.4-25.5000113.3
417L89.9Confident80.6Confident140 Ų140126.3 Ų126.373%0.73366%0.662SS**  trans-83.1130.8177.4-58.8175.1000110.2T415T415-L417 PolarHBondContact O-N 2.96Å; T415-L417 WeakPolarHBondContact OG1-CB 3.41Å; T415-L417 PolarHBondContact OG1-N 3.46Å
418V89.7Confident80.8Confident120 Ų120122.9 Ų122.973%0.72765%0.652SS**  trans-107.1117.3174.5-179.70000108.3
419E86.3Confident81Confident168 Ų168118 Ų11879%0.78564%0.643SS**  trans-78.2135172.5-173.3176.8178.800110.1P421E419-P421 WeakPolarHBondContact O-CD 3.27Å
420H90.3Very high81Confident166 Ų166113.4 Ų113.477%0.76962%0.624SS**  trans-91.9109.3166-66.177.8000107.1
421P91.4Very high80.9Confident111 Ų111117.1 Ų117.172%0.72164%0.644SS**  trans-60.9151.5-175.325.7-34.6000110.7E419 Q423E419-P421 WeakPolarHBondContact O-CD 3.27Å; P421-Q423 PolarHBondContact O-N 3.12Å; P421-Q423 VanDerWaalsContact O-N 3.12Å
422A89.3Confident80.9Confident89 Ų89118.1 Ų118.174%0.73666%0.659SS**  trans-53.3120.9-18000000111.1L424A422-L424 PolarHBondContact O-N 3.03Å
423Q88.9Confident80.9Confident186 Ų186116.5 Ų116.587%0.86966%0.663SS**  trans-70.1112.3178.7-173.5174.23.100109.6P421P421-Q423 PolarHBondContact O-N 3.12Å; P421-Q423 VanDerWaalsContact O-N 3.12Å
424L87.1Confident81Confident151 Ų151120.5 Ų120.579%0.79168%0.677SS**PPolyproline II helixtrans-86.2135.8173.9-62.2178.6000110.2A422A422-L424 PolarHBondContact O-N 3.03Å
425N83.8Confident81Confident119 Ų119122.3 Ų122.364%0.63669%0.692SS**PPolyproline II helixtrans-65.2139172-68.7-14.9000109.9
426P84.6Confident81.2Confident70 Ų70125.5 Ų125.546%0.45571%0.706SS.*PPolyproline II helixtrans-63.2139175.526.5-32000109.4V428 D429P426-V428 PolarHBondContact O-N 2.95Å; P426-D429 HydrophobicContact CG-CB 3.94Å; P426-D429 WeakPolarHBondContact CG-OD2 3.31Å; P426-D429 PolarHBondContact O-N 3.42Å
427P76.5Confident81.3Confident106 Ų106120.5 Ų120.569%0.68869%0.691SS**THydrogen-bonded Turntrans-66.7-11.3-170.724.8-34.2000114.8
428V69.4Low81.5Confident71 Ų71120 Ų12043%0.4369%0.693SS.*THydrogen-bonded Turntrans-103.1-28-174.9-1760000112.3P426 N430 Q539P426-V428 PolarHBondContact O-N 2.95Å; V428-N430 PolarHBondContact O-N 2.91Å; V428-N430 VanDerWaalsContact O-N 3.15Å; V428-N430 PolarHBondContact O-ND2 3.26Å; V428-Q539 HydrophobicContact CG1-CB 4.06Å; V428-Q539 HydrophobicContact CG1-CG 4.42Å
429D66.4Low81.7Confident116 Ų116124.4 Ų124.462%0.6270%0.698SS**  trans-79.4105.1176.6-69.3-36.2000108.9P426P426-D429 HydrophobicContact CG-CB 3.94Å; P426-D429 WeakPolarHBondContact CG-OD2 3.31Å; P426-D429 PolarHBondContact O-N 3.42Å
430N63.9Low82.2Confident84 Ų84119.7 Ų119.745%0.44968%0.678SS.*  trans-80.7137.3164.6-66.6-97.2000106.8V428 T432V428-N430 PolarHBondContact O-N 2.91Å; V428-N430 VanDerWaalsContact O-N 3.15Å; V428-N430 PolarHBondContact O-ND2 3.26Å; N430-T432 PolarHBondContact O-N 3.13Å
431D63.4Low82.6Confident150 Ų150115.5 Ų115.580%0.80266%0.664SS**SBendtrans-58.4-1.9177.7-66.3-38.2000114.2P433D431-P433 WeakPolarHBondContact O-CD 3.36Å
432T71.7Confident82.9Confident104 Ų104117.5 Ų117.564%0.63866%0.661SS**SBendtrans-68.111817155.80000110.4N430 V434N430-T432 PolarHBondContact O-N 3.13Å; T432-V434 PolarHBondContact O-N 2.9Å
433P75Confident83.3Confident110 Ų110121.9 Ų121.971%0.71466%0.664SS**  trans-59.9130.618025.2-33.4000110D431 T435D431-P433 WeakPolarHBondContact O-CD 3.36Å; P433-T435 PolarHBondContact O-N 3.01Å
434V78.9Confident83.7Confident132 Ų132117.6 Ų117.680%0.864%0.644SS**  trans-60.2110.3178.3179.10000108.8T432 L436T432-V434 PolarHBondContact O-N 2.9Å; V434-L436 PolarHBondContact O-N 3.4Å
435T83.8Confident84.2Confident131 Ų131114.6 Ų114.680%0.80463%0.626SS**  trans-74.2109.6177.658.30000109.8P433 G437P433-T435 PolarHBondContact O-N 3.01Å; T435-G437 PolarHBondContact O-N 3.44Å
436L87.8Confident84.9Confident156 Ų156115.2 Ų115.282%0.81762%0.623SS**PPolyproline II helixtrans-73.9122.1172.1-72.9165.9000109.2V434 V438V434-L436 PolarHBondContact O-N 3.4Å; L436-V438 PolarHBondContact O-N 3.35Å
437G90.1Very high85.5Confident51 Ų51118.3 Ų118.353%0.52663%0.629SS.*PPolyproline II helixtrans-62121.6173.500000110.3T435 Y439T435-G437 PolarHBondContact O-N 3.44Å; G437-Y439 WeakPolarHBondContact O-CD2 3.42Å; G437-Y439 WeakPolarHBondContact O-CE2 3.42Å; G437-Y439 PolarHBondContact O-N 2.85Å
438V93.9Very high86.5Confident128 Ų128117.6 Ų117.678%0.77662%0.619SS**PPolyproline II helixtrans-76.5117.4177.6-1770000109.4L436 L440L436-V438 PolarHBondContact O-N 3.35Å; V438-L440 HydrophobicContact CG1-CD1 4.16Å
439Y94.2Very high87.9Confident214 Ų214120.5 Ų120.584%0.83962%0.622SS**PPolyproline II helixtrans-99.8127.6175.7-62.3-84.3000110.2G437G437-Y439 WeakPolarHBondContact O-CD2 3.42Å; G437-Y439 WeakPolarHBondContact O-CE2 3.42Å; G437-Y439 PolarHBondContact O-N 2.85Å
440L96.7Very high89.3Confident68 Ų68122.9 Ų122.936%0.35662%0.623SS.*PPolyproline II helixtrans-99.4140.5175.1-73.579.2000110V438 E444 Q445 L448V438-L440 HydrophobicContact CG1-CD1 4.16Å; L440-E444 HydrophobicContact CB-CB 4.16Å; L440-E444 HydrophobicContact CD2-CB 4.16Å; L440-E444 HydrophobicContact CG-CB 4.44Å; L440-Q445 HydrophobicContact CB-CG 3.75Å; L440-Q445 PolarHBondContact O-NE2 2.82Å; L440-L448 HydrophobicContact CD2-CD2 4.02Å
441T97.7Very high90.9Very high78 Ų78122.2 Ų122.248%0.47962%0.617SS.*PPolyproline II helixtrans-64160.4168.767.90000110.9K443 E444 Q445T441-K443 PolarHBondContact O-N 3.07Å; T441-E444 VanDerWaalsContact CB-OE2 3.31Å; T441-E444 WeakPolarHBondContact CB-OE2 3.31Å; T441-E444 WeakPolarHBondContact CG2-OE2 3.33Å; T441-E444 PolarHBondContact N-OE2 2.87Å; T441-E444 PolarHBondContact O-N 3.24Å; T441-E444 VanDerWaalsContact OG1-CD 3.23Å; T441-E444 VanDerWaalsContact OG1-CG 3.31Å; T441-E444 WeakPolarHBondContact OG1-CG 3.24Å; T441-E444 PolarHBondContact OG1-N 3.24Å; T441-E444 PolarHBondContact OG1-OE2 3.13Å; T441-Q445 VanDerWaalsContact O-CG 3.3Å; T441-Q445 WeakPolarHBondContact O-CG 3.39Å; T441-Q445 PolarHBondContact O-N 3.22Å
442K97.8Very high92.5Very high153 Ų153118.6 Ų118.667%0.66560%0.6SS**Hα-helixtrans-60.9-29.5176.9-61.6-61.2-179.3-178.50112.9K446K442-K446 WeakPolarHBondContact O-CB 3.2Å; K442-K446 VanDerWaalsContact O-CG 3.29Å; K442-K446 WeakPolarHBondContact O-CG 3.41Å; K442-K446 PolarHBondContact O-N 3.02Å
443K98.1Very high93.8Very high182 Ų182120.1 Ų120.179%0.79159%0.594SS**Hα-helixtrans-69.3-45.5175.7-72.3-176.3-179.6177.30111T441 K446 K447T441-K443 PolarHBondContact O-N 3.07Å; K443-K446 WeakPolarHBondContact O-CB 3.47Å; K443-K446 PolarHBondContact O-N 2.94Å; K443-K447 PolarHBondContact O-N 3.27Å
444E97.5Very high94.9Very high96 Ų96122.5 Ų122.545%0.44959%0.589SS.*Hα-helixtrans-66.6-41.7176.6-67.9159.1148.800111.8L440 T441 K446 K447 L448L440-E444 HydrophobicContact CB-CB 4.16Å; L440-E444 HydrophobicContact CD2-CB 4.16Å; L440-E444 HydrophobicContact CG-CB 4.44Å; T441-E444 VanDerWaalsContact CB-OE2 3.31Å; T441-E444 WeakPolarHBondContact CB-OE2 3.31Å; T441-E444 WeakPolarHBondContact CG2-OE2 3.33Å; T441-E444 PolarHBondContact N-OE2 2.87Å; T441-E444 PolarHBondContact O-N 3.24Å; T441-E444 VanDerWaalsContact OG1-CD 3.23Å; T441-E444 VanDerWaalsContact OG1-CG 3.31Å; T441-E444 WeakPolarHBondContact OG1-CG 3.24Å; T441-E444 PolarHBondContact OG1-N 3.24Å; T441-E444 PolarHBondContact OG1-OE2 3.13Å; E444-K446 VanDerWaalsContact C-N 3.28Å; E444-K446 PolarHBondContact O-N 2.92Å; E444-K447 PolarHBondContact O-N 2.7Å; E444-K447 VanDerWaalsContact O-N 3.08Å; E444-L448 WeakPolarHBondContact O-CB 3.45Å; E444-L448 PolarHBondContact O-N 3.28Å
445Q96.9Very high95.7Very high87 Ų87121.8 Ų121.841%0.40758%0.577SS.*Hα-helixtrans-57.3-42.5172.8-69.6176.116.500111.5L440 T441 R449L440-Q445 HydrophobicContact CB-CG 3.75Å; L440-Q445 PolarHBondContact O-NE2 2.82Å; T441-Q445 VanDerWaalsContact O-CG 3.3Å; T441-Q445 WeakPolarHBondContact O-CG 3.39Å; T441-Q445 PolarHBondContact O-N 3.22Å; Q445-R449 VanDerWaalsContact O-CB 3.25Å; Q445-R449 WeakPolarHBondContact O-CB 3.33Å; Q445-R449 PolarHBondContact O-N 2.83Å
446K97.9Very high96.3Very high133 Ų133118.1 Ų118.158%0.57856%0.56SS**Hα-helixtrans-65.1-41.2174.5-78176.6-179.3179.20111.6K442 K443 E444 R450K442-K446 WeakPolarHBondContact O-CB 3.2Å; K442-K446 VanDerWaalsContact O-CG 3.29Å; K442-K446 WeakPolarHBondContact O-CG 3.41Å; K442-K446 PolarHBondContact O-N 3.02Å; K443-K446 WeakPolarHBondContact O-CB 3.47Å; K443-K446 PolarHBondContact O-N 2.94Å; E444-K446 VanDerWaalsContact C-N 3.28Å; E444-K446 PolarHBondContact O-N 2.92Å; K446-R450 WeakPolarHBondContact O-CB 2.68Å; K446-R450 VanDerWaalsContact O-CG 3.24Å; K446-R450 WeakPolarHBondContact O-CG 3.43Å; K446-R450 PolarHBondContact O-N 3.33Å
447K98.1Very high96.7Very high134 Ų134116.5 Ų116.558%0.58355%0.548SS*.Hα-helixtrans-64.6-51.2178.4-172.1179.3179-175.90111.3K443 E444 R449 R450 Q451K443-K447 PolarHBondContact O-N 3.27Å; E444-K447 PolarHBondContact O-N 2.7Å; E444-K447 VanDerWaalsContact O-N 3.08Å; K447-R449 PolarHBondContact O-N 3.07Å; K447-R450 WeakPolarHBondContact O-CB 3.32Å; K447-R450 PolarHBondContact O-N 3.02Å; K447-R450 VanDerWaalsContact O-N 3.1Å; K447-Q451 PolarHBondContact O-N 2.87Å
448L97.6Very high97Very high91 Ų91121 Ų12148%0.47655%0.553SS.*Hα-helixtrans-57.2-50.8177-177.264.1000110.9L440 E444 R450 Q451 T452L440-L448 HydrophobicContact CD2-CD2 4.02Å; E444-L448 WeakPolarHBondContact O-CB 3.45Å; E444-L448 PolarHBondContact O-N 3.28Å; L448-R450 VanDerWaalsContact C-N 3.26Å; L448-R450 PolarHBondContact O-N 3.13Å; L448-Q451 PolarHBondContact O-N 3.15Å; L448-Q451 VanDerWaalsContact O-N 3.16Å; L448-T452 PolarHBondContact O-N 2.78Å; L448-T452 PolarHBondContact O-OG1 2.88Å
449R97.8Very high97.1Very high132 Ų132119.7 Ų119.750%0.49854%0.539SS..Hα-helixtrans-57.5-37.2176.3178.4-179.9167.5-90.917.3112.8Q445 K447 R453Q445-R449 VanDerWaalsContact O-CB 3.25Å; Q445-R449 WeakPolarHBondContact O-CB 3.33Å; Q445-R449 PolarHBondContact O-N 2.83Å; K447-R449 PolarHBondContact O-N 3.07Å; R449-R453 VanDerWaalsContact CZ-NH1 3.28Å; R449-R453 VanDerWaalsContact O-CB 3.31Å; R449-R453 WeakPolarHBondContact O-CB 3.25Å; R449-R453 WeakPolarHBondContact O-CD 3.27Å; R449-R453 WeakPolarHBondContact O-CG 3.44Å; R449-R453 PolarHBondContact O-N 2.82Å; R449-R453 VanDerWaalsContact O-N 3.17Å
450R97.3Very high97.1Very high166 Ų166113.3 Ų113.363%0.62652%0.519SS*.Hα-helixtrans-71.2-42.5178-75.9175.3-174.8-154.81.6111.4K446 K447 L448 R453 R454K446-R450 WeakPolarHBondContact O-CB 2.68Å; K446-R450 VanDerWaalsContact O-CG 3.24Å; K446-R450 WeakPolarHBondContact O-CG 3.43Å; K446-R450 PolarHBondContact O-N 3.33Å; K447-R450 WeakPolarHBondContact O-CB 3.32Å; K447-R450 PolarHBondContact O-N 3.02Å; K447-R450 VanDerWaalsContact O-N 3.1Å; L448-R450 VanDerWaalsContact C-N 3.26Å; L448-R450 PolarHBondContact O-N 3.13Å; R450-R453 PolarHBondContact O-N 3.01Å; R450-R454 WeakPolarHBondContact O-CB 3.46Å; R450-R454 PolarHBondContact O-N 2.96Å
451Q97.2Very high96.9Very high71 Ų71115.7 Ų115.733%0.33253%0.528SS..Hα-helixtrans-63.7-52.6176.3-77.7174.5-33.600111.3K447 L448 R453 R454 E455K447-Q451 PolarHBondContact O-N 2.87Å; L448-Q451 PolarHBondContact O-N 3.15Å; L448-Q451 VanDerWaalsContact O-N 3.16Å; Q451-R453 PolarHBondContact O-N 3.13Å; Q451-R454 WeakPolarHBondContact O-CA 3.21Å; Q451-R454 WeakPolarHBondContact O-CB 3.26Å; Q451-R454 PolarHBondContact O-N 3.1Å; Q451-E455 WeakPolarHBondContact O-CG 3.24Å; Q451-E455 PolarHBondContact O-N 3.02Å
452T97.8Very high96.9Very high73 Ų73116.9 Ų116.945%0.44853%0.528SS..Hα-helixtrans-57.8-36.9177.5-500000112.3L448 A456L448-T452 PolarHBondContact O-N 2.78Å; L448-T452 PolarHBondContact O-OG1 2.88Å; T452-A456 VanDerWaalsContact O-CB 3.28Å; T452-A456 WeakPolarHBondContact O-CB 3.26Å; T452-A456 PolarHBondContact O-N 3.31Å
453R97.5Very high96.8Very high137 Ų137113.2 Ų113.252%0.51751%0.512SS..Hα-helixtrans-68.5-40.2174.4-78.9175.3172.5-150.3-8.2112.8R449 R450 Q451 Q457R449-R453 VanDerWaalsContact CZ-NH1 3.28Å; R449-R453 VanDerWaalsContact O-CB 3.31Å; R449-R453 WeakPolarHBondContact O-CB 3.25Å; R449-R453 WeakPolarHBondContact O-CD 3.27Å; R449-R453 WeakPolarHBondContact O-CG 3.44Å; R449-R453 PolarHBondContact O-N 2.82Å; R449-R453 VanDerWaalsContact O-N 3.17Å; R450-R453 PolarHBondContact O-N 3.01Å; Q451-R453 PolarHBondContact O-N 3.13Å; R453-Q457 WeakPolarHBondContact O-CB 2.69Å; R453-Q457 VanDerWaalsContact O-CG 3.29Å; R453-Q457 WeakPolarHBondContact O-CG 3.43Å; R453-Q457 PolarHBondContact O-N 3.2Å
454R97.6Very high96.6Very high159 Ų159106.5 Ų106.560%0.649%0.486SS*.Hα-helixtrans-66.2-43.4178.2-170.4-171.3-60.5132.4-5.3110.8R450 Q451 Q457 K458R450-R454 WeakPolarHBondContact O-CB 3.46Å; R450-R454 PolarHBondContact O-N 2.96Å; Q451-R454 WeakPolarHBondContact O-CA 3.21Å; Q451-R454 WeakPolarHBondContact O-CB 3.26Å; Q451-R454 PolarHBondContact O-N 3.1Å; R454-Q457 PolarHBondContact O-N 3.49Å; R454-K458 WeakPolarHBondContact O-CB 3.31Å; R454-K458 PolarHBondContact O-N 3.4Å
455E97.6Very high96.5Very high117 Ų117111.6 Ų111.655%0.54750%0.501SS..Hα-helixtrans-62.2-49.1175.5-72.5156.1-160.300111.1Q451 Q457 K458 E459Q451-E455 WeakPolarHBondContact O-CG 3.24Å; Q451-E455 PolarHBondContact O-N 3.02Å; E455-Q457 VanDerWaalsContact C-N 3.3Å; E455-Q457 PolarHBondContact O-N 2.85Å; E455-K458 WeakPolarHBondContact O-CB 3.32Å; E455-K458 PolarHBondContact O-N 2.84Å; E455-K458 VanDerWaalsContact O-N 3.1Å; E455-E459 WeakPolarHBondContact O-CB 3.27Å; E455-E459 PolarHBondContact O-N 2.9Å
456A96Very high96.5Very high54 Ų54113 Ų11345%0.44651%0.511SS..Hα-helixtrans-61.1-36.6176.600000112.9T452 L460T452-A456 VanDerWaalsContact O-CB 3.28Å; T452-A456 WeakPolarHBondContact O-CB 3.26Å; T452-A456 PolarHBondContact O-N 3.31Å; A456-L460 WeakPolarHBondContact O-CB 3.26Å; A456-L460 PolarHBondContact O-N 2.8Å
457Q95Very high96.3Very high123 Ų123109.5 Ų109.558%0.57551%0.513SS*.Hα-helixtrans-69-39.9173.7-77.7178.4-20.100112.1R453 R454 E455 L460 Q461R453-Q457 WeakPolarHBondContact O-CB 2.69Å; R453-Q457 VanDerWaalsContact O-CG 3.29Å; R453-Q457 WeakPolarHBondContact O-CG 3.43Å; R453-Q457 PolarHBondContact O-N 3.2Å; R454-Q457 PolarHBondContact O-N 3.49Å; E455-Q457 VanDerWaalsContact C-N 3.3Å; E455-Q457 PolarHBondContact O-N 2.85Å; Q457-L460 PolarHBondContact O-N 2.78Å; Q457-Q461 VanDerWaalsContact O-CG 3.28Å; Q457-Q461 WeakPolarHBondContact O-CG 3.39Å; Q457-Q461 PolarHBondContact O-N 2.85Å
458K96.9Very high96.1Very high144 Ų144109.4 Ų109.463%0.62652%0.518SS*.Hα-helixtrans-63.6-45.6176.5-169.6-176177.8-168.90110.6R454 E455 L460 Q461 E462R454-K458 WeakPolarHBondContact O-CB 3.31Å; R454-K458 PolarHBondContact O-N 3.4Å; E455-K458 WeakPolarHBondContact O-CB 3.32Å; E455-K458 PolarHBondContact O-N 2.84Å; E455-K458 VanDerWaalsContact O-N 3.1Å; K458-L460 VanDerWaalsContact C-N 3.35Å; K458-L460 PolarHBondContact O-N 3.14Å; K458-Q461 PolarHBondContact O-N 3.04Å; K458-E462 WeakPolarHBondContact O-CB 3.18Å; K458-E462 PolarHBondContact O-N 2.84Å
459E95.8Very high95.7Very high101 Ų101107.9 Ų107.947%0.47251%0.509SS..Hα-helixtrans-61.1-41.8175.7-169.1-163.8152.400111.7E455 E462 K463E455-E459 WeakPolarHBondContact O-CB 3.27Å; E455-E459 PolarHBondContact O-N 2.9Å; E459-E462 PolarHBondContact O-N 2.89Å; E459-K463 WeakPolarHBondContact O-CB 3.35Å; E459-K463 WeakPolarHBondContact O-CG 3.47Å; E459-K463 PolarHBondContact O-N 3.22Å; E459-K463 WeakPolarHBondContact OE1-CE 3.34Å; E459-K463 IonicContact OE1-NZ 3.66Å; E459-K463 PolarHBondContact OE1-NZ 3.43Å
460L93.9Very high95.4Very high81 Ų81107 Ų10742%0.42452%0.52SS..Hα-helixtrans-63.1-44.9175.5-16877000111.5A456 Q457 K458 E462 K463 V464 M469A456-L460 WeakPolarHBondContact O-CB 3.26Å; A456-L460 PolarHBondContact O-N 2.8Å; Q457-L460 PolarHBondContact O-N 2.78Å; K458-L460 VanDerWaalsContact C-N 3.35Å; K458-L460 PolarHBondContact O-N 3.14Å; L460-E462 VanDerWaalsContact C-N 3.31Å; L460-E462 PolarHBondContact O-N 2.98Å; L460-K463 PolarHBondContact O-N 2.82Å; L460-V464 WeakPolarHBondContact O-CG2 3.41Å; L460-V464 PolarHBondContact O-N 2.89Å; L460-M469 HydrophobicContact CD1-CE 3.81Å; L460-M469 HydrophobicContact CD1-SD 3.34Å; L460-M469 WeakPolarHBondContact CD1-SD 3.41Å; L460-M469 HydrophobicContact CG-SD 4.01Å
461Q93.9Very high95Very high117 Ų117103.6 Ų103.655%0.54752%0.52SS..Hα-helixtrans-64.3-37176.3-72.7172.315.400112.1Q457 K458 V464 R465Q457-Q461 VanDerWaalsContact O-CG 3.28Å; Q457-Q461 WeakPolarHBondContact O-CG 3.39Å; Q457-Q461 PolarHBondContact O-N 2.85Å; K458-Q461 PolarHBondContact O-N 3.04Å; Q461-V464 PolarHBondContact O-N 3.04Å; Q461-R465 VanDerWaalsContact O-CB 3.3Å; Q461-R465 WeakPolarHBondContact O-CB 3.38Å; Q461-R465 PolarHBondContact O-N 3.29Å
462E95.9Very high94.6Very high104 Ų104105 Ų10549%0.48654%0.535SS..Hα-helixtrans-67.2-42.9176.5-171.7167.1-172.100111.1K458 E459 L460 V464 R465 L466K458-E462 WeakPolarHBondContact O-CB 3.18Å; K458-E462 PolarHBondContact O-N 2.84Å; E459-E462 PolarHBondContact O-N 2.89Å; L460-E462 VanDerWaalsContact C-N 3.31Å; L460-E462 PolarHBondContact O-N 2.98Å; E462-V464 VanDerWaalsContact C-N 3.31Å; E462-V464 PolarHBondContact O-N 2.91Å; E462-R465 PolarHBondContact O-N 2.89Å; E462-R465 VanDerWaalsContact O-N 3.15Å; E462-L466 HydrophobicContact CG-CD1 4.18Å; E462-L466 WeakPolarHBondContact O-CB 3.44Å; E462-L466 VanDerWaalsContact O-CG 3.28Å; E462-L466 WeakPolarHBondContact O-CG 3.41Å; E462-L466 PolarHBondContact O-N 2.87Å
463K96.4Very high93.8Very high76 Ų76107.2 Ų107.233%0.3354%0.54SS..Hα-helixtrans-60-39.2172.2-75.5172.5170.2165.60112.8E459 L460 G467 L468 M469E459-K463 WeakPolarHBondContact O-CB 3.35Å; E459-K463 WeakPolarHBondContact O-CG 3.47Å; E459-K463 PolarHBondContact O-N 3.22Å; E459-K463 WeakPolarHBondContact OE1-CE 3.34Å; E459-K463 IonicContact OE1-NZ 3.66Å; E459-K463 PolarHBondContact OE1-NZ 3.43Å; L460-K463 PolarHBondContact O-N 2.82Å; K463-G467 PolarHBondContact O-N 2.84Å; K463-L468 PolarHBondContact O-N 3.32Å; K463-M469 HydrophobicContact CB-CE 4.26Å; K463-M469 HydrophobicContact CB-CG 3.81Å; K463-M469 HydrophobicContact CB-SD 3.84Å; K463-M469 HydrophobicContact CD-CE 4.07Å
464V95.1Very high93.2Very high40 Ų40105.3 Ų105.324%0.24255%0.546CS..Hα-helixtrans-67.6-43.9173.21740000110.9L460 Q461 E462 L466 G467 M469 P471L460-V464 WeakPolarHBondContact O-CG2 3.41Å; L460-V464 PolarHBondContact O-N 2.89Å; Q461-V464 PolarHBondContact O-N 3.04Å; E462-V464 VanDerWaalsContact C-N 3.31Å; E462-V464 PolarHBondContact O-N 2.91Å; V464-L466 VanDerWaalsContact C-N 3.28Å; V464-L466 PolarHBondContact O-N 3.49Å; V464-G467 PolarHBondContact O-N 3.26Å; V464-M469 HydrophobicContact CB-CG 4.49Å; V464-M469 HydrophobicContact CG2-CG 3.66Å; V464-M469 HydrophobicContact CG2-SD 3.94Å; V464-P471 HydrophobicContact CG1-CB 4.32Å; V464-P471 HydrophobicContact CG1-CG 3.86Å
465R94.6Very high92.7Very high203 Ų203104.7 Ų104.777%0.76655%0.548SS*.Hα-helixtrans-62.8-34.6179.2177.7174.2-90.2107.7-4.3112.3Q461 E462 G467Q461-R465 VanDerWaalsContact O-CB 3.3Å; Q461-R465 WeakPolarHBondContact O-CB 3.38Å; Q461-R465 PolarHBondContact O-N 3.29Å; E462-R465 PolarHBondContact O-N 2.89Å; E462-R465 VanDerWaalsContact O-N 3.15Å; R465-G467 VanDerWaalsContact C-N 3.27Å
466L96.6Very high92.2Very high116 Ų11699.6 Ų99.661%0.60752%0.524SS*.THydrogen-bonded Turntrans-79.9-6.5174.2-66.3170.8000113.2E462 V464 L468E462-L466 HydrophobicContact CG-CD1 4.18Å; E462-L466 WeakPolarHBondContact O-CB 3.44Å; E462-L466 VanDerWaalsContact O-CG 3.28Å; E462-L466 WeakPolarHBondContact O-CG 3.41Å; E462-L466 PolarHBondContact O-N 2.87Å; V464-L466 VanDerWaalsContact C-N 3.28Å; V464-L466 PolarHBondContact O-N 3.49Å; L466-L468 VanDerWaalsContact C-N 3.28Å; L466-L468 HydrophobicContact CB-CD1 3.58Å; L466-L468 PolarHBondContact O-N 3.39Å
467G93.3Very high91.7Very high60 Ų60103.6 Ų103.662%0.61953%0.528SS*.THydrogen-bonded Turntrans75.68.6-179.800000115.2K463 V464 R465 M469K463-G467 PolarHBondContact O-N 2.84Å; V464-G467 PolarHBondContact O-N 3.26Å; R465-G467 VanDerWaalsContact C-N 3.27Å; G467-M469 PolarHBondContact O-N 3.47Å
468L94.1Very high91.3Very high132 Ų132101.6 Ų101.669%0.69152%0.52SS*.SBendtrans-69.6-24177.9-87.173.1000112.5K463 L466K463-L468 PolarHBondContact O-N 3.32Å; L466-L468 VanDerWaalsContact C-N 3.28Å; L466-L468 HydrophobicContact CB-CD1 3.58Å; L466-L468 PolarHBondContact O-N 3.39Å
469M89.5Confident90.8Very high60 Ų6099 Ų9930%0.29652%0.521SS..SBendtrans-136.8139.1173.557.617541.600111L460 K463 V464 G467L460-M469 HydrophobicContact CD1-CE 3.81Å; L460-M469 HydrophobicContact CD1-SD 3.34Å; L460-M469 WeakPolarHBondContact CD1-SD 3.41Å; L460-M469 HydrophobicContact CG-SD 4.01Å; K463-M469 HydrophobicContact CB-CE 4.26Å; K463-M469 HydrophobicContact CB-CG 3.81Å; K463-M469 HydrophobicContact CB-SD 3.84Å; K463-M469 HydrophobicContact CD-CE 4.07Å; V464-M469 HydrophobicContact CB-CG 4.49Å; V464-M469 HydrophobicContact CG2-CG 3.66Å; V464-M469 HydrophobicContact CG2-SD 3.94Å; G467-M469 PolarHBondContact O-N 3.47Å
470P90.7Very high90.3Very high112 Ų11297.6 Ų97.673%0.72752%0.516SS*.PPolyproline II helixtrans-59146.9169-23.634000111.2
471P90.6Very high89.8Confident95 Ų9594.4 Ų94.462%0.61750%0.499SS*.PPolyproline II helixtrans-53.1136.2170.4-23.532.1000110.8V464 E473V464-P471 HydrophobicContact CG1-CB 4.32Å; V464-P471 HydrophobicContact CG1-CG 3.86Å; P471-E473 PolarHBondContact O-N 2.68Å
472P86.8Confident89.3Confident101 Ų10194.4 Ų94.466%0.65650%0.501SS*.PPolyproline II helixtrans-63.9133.2178.925.9-33.3000110.6
473E82.5Confident88.8Confident119 Ų119100.6 Ų100.656%0.55652%0.52SS*.PPolyproline II helixtrans-58.3146.1179.3-68.7172.5-16800112.3P471 K475 Q503P471-E473 PolarHBondContact O-N 2.68Å; E473-K475 PolarHBondContact O-N 3.17Å; E473-Q503 PolarHBondContact OE2-NE2 3.48Å
474P84.2Confident88.1Confident98 Ų98100.8 Ų100.864%0.63653%0.527SS*.PPolyproline II helixtrans-61.4139178.326.3-34.2000111V476 Q503P474-V476 PolarHBondContact O-N 3.19Å; P474-Q503 PolarHBondContact O-NE2 3.2Å
475K87.1Confident87.4Confident146 Ų146100.6 Ų100.664%0.63552%0.524SS*.  trans-76.491.1-177.5-171.6-172.9179176.80111E473 R507E473-K475 PolarHBondContact O-N 3.17Å; K475-R507 VanDerWaalsContact CG-NH1 3.35Å
476V86.8Confident86.6Confident9 Ų992 Ų926%0.05550%0.5CS..  trans-78.9135.7171.6-162.20000110.4P474 L481 V484 V500 R507P474-V476 PolarHBondContact O-N 3.19Å; V476-L481 HydrophobicContact CG1-CD1 4.48Å; V476-V484 HydrophobicContact CG2-CG1 4.2Å; V476-V500 HydrophobicContact CB-CG1 4.18Å; V476-V500 HydrophobicContact CB-CG2 3.88Å; V476-V500 HydrophobicContact CG1-CB 4.47Å; V476-V500 HydrophobicContact CG1-CG1 3.99Å; V476-V500 HydrophobicContact CG1-CG2 3.56Å; V476-R507 VanDerWaalsContact N-NH2 3.16Å; V476-R507 PolarHBondContact O-NH1 3.11Å; V476-R507 VanDerWaalsContact O-NH1 3.1Å; V476-R507 PolarHBondContact O-NH2 3.22Å
477R86.5Confident85.9Confident138 Ų13892.2 Ų92.252%0.52151%0.506SS..  trans-117155.3169.6-62.8-179.682.8-177.82107.1S479 N480 L481R477-S479 PolarHBondContact O-N 3.01Å; R477-N480 HydrophobicContact CB-CB 4.48Å; R477-N480 CarbonylContact O-C 3.59Å; R477-N480 WeakPolarHBondContact O-CA 3.39Å; R477-N480 PolarHBondContact O-N 3.15Å; R477-L481 PolarHBondContact O-N 3.27Å
478I85.9Confident85.2Confident82 Ų8294.6 Ų94.642%0.42150%0.501SS..G310 helixtrans-53.8-38.7174.1-61.3167.8000110.5N480 L481 V500 R501 M504I478-N480 VanDerWaalsContact C-N 3.25Å; I478-N480 PolarHBondContact O-N 3.39Å; I478-L481 VanDerWaalsContact O-CB 3.27Å; I478-L481 WeakPolarHBondContact O-CB 3.42Å; I478-L481 PolarHBondContact O-N 2.78Å; I478-V500 HydrophobicContact CG1-CG1 4.37Å; I478-R501 HydrophobicContact CD1-CG 4.25Å; I478-M504 HydrophobicContact CD1-SD 4.24Å; I478-M504 HydrophobicContact CG1-SD 3.99Å
479S86.5Confident84.4Confident90 Ų9088.5 Ų88.563%0.62947%0.469SS*.G310 helixtrans-61.5-27.817463.20000114.7R477R477-S479 PolarHBondContact O-N 3.01Å
480N85.4Confident84Confident71 Ų7191.3 Ų91.338%0.3849%0.49SS..G310 helixtrans-105.31.3-176.2-64.718000111.9R477 I478 R483 V484R477-N480 HydrophobicContact CB-CB 4.48Å; R477-N480 CarbonylContact O-C 3.59Å; R477-N480 WeakPolarHBondContact O-CA 3.39Å; R477-N480 PolarHBondContact O-N 3.15Å; I478-N480 VanDerWaalsContact C-N 3.25Å; I478-N480 PolarHBondContact O-N 3.39Å; N480-R483 PolarHBondContact O-N 3Å; N480-V484 HydrophobicContact CB-CG2 4.3Å; N480-V484 WeakPolarHBondContact O-CG2 3.38Å; N480-V484 PolarHBondContact O-N 2.99Å
481L84Confident83.7Confident13 Ų1393.5 Ų93.57%0.06849%0.49CS..Hα-helixtrans-57-54.8-173.7178.974.4000111.3V476 R477 I478 R483 V484 L485 V496 V500V476-L481 HydrophobicContact CG1-CD1 4.48Å; R477-L481 PolarHBondContact O-N 3.27Å; I478-L481 VanDerWaalsContact O-CB 3.27Å; I478-L481 WeakPolarHBondContact O-CB 3.42Å; I478-L481 PolarHBondContact O-N 2.78Å; L481-R483 PolarHBondContact O-N 2.73Å; L481-V484 PolarHBondContact O-N 2.95Å; L481-L485 HydrophobicContact CD1-CD1 4.26Å; L481-L485 PolarHBondContact O-N 2.95Å; L481-V496 HydrophobicContact CD1-CB 4.23Å; L481-V496 HydrophobicContact CD1-CG2 4.15Å; L481-V496 HydrophobicContact CD2-CG2 4.27Å; L481-V496 HydrophobicContact CG-CG2 4.48Å; L481-V500 HydrophobicContact CD1-CB 4.08Å; L481-V500 HydrophobicContact CD1-CG2 3.44Å; L481-V500 VanDerWaalsContact CD1-CG2 3.44Å
482M82.5Confident83.6Confident117 Ų11793.1 Ų93.158%0.57648%0.483SS*.Hα-helixtrans-62.3-27.4-179.5-66.2-67.1111.200113.1G486 A489M482-G486 WeakPolarHBondContact O-CA 3.31Å; M482-G486 PolarHBondContact O-N 3.36Å; M482-A489 HydrophobicContact CE-CB 3.47Å; M482-A489 VanDerWaalsContact CE-CB 3.47Å; M482-A489 HydrophobicContact SD-CB 4.44Å
483R84.9Confident83.5Confident235 Ų23591.9 Ų91.989%0.88748%0.475SS*.Hα-helixtrans-83.2-31.3-179.7-158.2179.5-148.6-126.65112.8N480 L481N480-R483 PolarHBondContact O-N 3Å; L481-R483 PolarHBondContact O-N 2.73Å
484V81.8Confident83.8Confident80 Ų8091.4 Ų91.449%0.48548%0.48SS..Hα-helixtrans-97.7-37-173.2178.50000112V476 N480 L481V476-V484 HydrophobicContact CG2-CG1 4.2Å; N480-V484 HydrophobicContact CB-CG2 4.3Å; N480-V484 WeakPolarHBondContact O-CG2 3.38Å; N480-V484 PolarHBondContact O-N 2.99Å; L481-V484 PolarHBondContact O-N 2.95Å
485L81.4Confident84Confident35 Ų3593.9 Ų93.918%0.18348%0.481CS..SBendtrans-121.127.9-177.2-64.2173000111.3L481 T487 E488 A489 V500L481-L485 HydrophobicContact CD1-CD1 4.26Å; L481-L485 PolarHBondContact O-N 2.95Å; L485-T487 VanDerWaalsContact C-N 3.3Å; L485-T487 PolarHBondContact O-N 3.2Å; L485-E488 PolarHBondContact O-N 3.02Å; L485-E488 VanDerWaalsContact O-N 3.16Å; L485-A489 WeakPolarHBondContact O-CB 3.46Å; L485-A489 PolarHBondContact O-N 3.27Å; L485-V500 HydrophobicContact CD1-CG2 4.2Å
486G78Confident84Confident24 Ų2487.5 Ų87.525%0.24745%0.454CS..Hα-helixtrans-55-38.7-170.500000114.8M482 V490M482-G486 WeakPolarHBondContact O-CA 3.31Å; M482-G486 PolarHBondContact O-N 3.36Å; G486-V490 WeakPolarHBondContact O-CG2 3.37Å; G486-V490 PolarHBondContact O-N 3.34Å
487T80.7Confident84Confident120 Ų12089.8 Ų89.874%0.73646%0.464SS*.Hα-helixtrans-69.1-42.4178.4470000112.8L485L485-T487 VanDerWaalsContact C-N 3.3Å; L485-T487 PolarHBondContact O-N 3.2Å
488E78.4Confident84.2Confident110 Ų11085.9 Ų85.951%0.51446%0.461SS..Hα-helixtrans-76-31.6177.1-65.2-179.3176.500112.1L485 V490 Q491 D492 V496L485-E488 PolarHBondContact O-N 3.02Å; L485-E488 VanDerWaalsContact O-N 3.16Å; E488-V490 VanDerWaalsContact C-N 3.34Å; E488-Q491 PolarHBondContact O-N 3.24Å; E488-D492 PolarHBondContact O-N 2.86Å; E488-D492 VanDerWaalsContact O-N 3.14Å; E488-V496 HydrophobicContact CB-CG1 4.11Å
489A78.8Confident84.3Confident3 Ų387.4 Ų87.43%0.02547%0.467CS..Hα-helixtrans-73.8-25.6-17900000113.4M482 L485 P493 V496M482-A489 HydrophobicContact CE-CB 3.47Å; M482-A489 VanDerWaalsContact CE-CB 3.47Å; M482-A489 HydrophobicContact SD-CB 4.44Å; L485-A489 WeakPolarHBondContact O-CB 3.46Å; L485-A489 PolarHBondContact O-N 3.27Å; A489-P493 WeakPolarHBondContact O-CA 3.49Å; A489-V496 HydrophobicContact CB-CB 4.5Å; A489-V496 HydrophobicContact CB-CG2 3.63Å
490V81.6Confident84.4Confident120 Ų12083.1 Ų83.173%0.72744%0.437SS*.Hα-helixtrans-74.1-30.2172169.50000111.2G486 E488G486-V490 WeakPolarHBondContact O-CG2 3.37Å; G486-V490 PolarHBondContact O-N 3.34Å; E488-V490 VanDerWaalsContact C-N 3.34Å
491Q84.4Confident84.7Confident158 Ų15886.5 Ų86.574%0.73844%0.444SS*.Hα-helixtrans-74.9-53.3177.6-67.3-176.3-300111.7E488E488-Q491 PolarHBondContact O-N 3.24Å
492D86.6Confident85.1Confident87 Ų8788.8 Ų88.847%0.46546%0.464SS..  trans-136.282.4-178.3-75.6-34.4000111.9E488 T494 K495 V496E488-D492 PolarHBondContact O-N 2.86Å; E488-D492 VanDerWaalsContact O-N 3.14Å; D492-T494 VanDerWaalsContact C-N 3.32Å; D492-T494 PolarHBondContact O-N 3.33Å; D492-K495 HydrophobicContact CB-CB 3.83Å; D492-K495 HydrophobicContact CB-CD 4.44Å; D492-K495 PolarHBondContact O-N 3.48Å; D492-V496 PolarHBondContact O-N 2.9Å
493P85.4Confident85.5Confident74 Ų7484.1 Ų84.148%0.48144%0.441SS..Hα-helixtrans-61-37.8-173.221.9-32.9000113.2A489 V496 E497A489-P493 WeakPolarHBondContact O-CA 3.49Å; P493-V496 WeakPolarHBondContact O-CG2 3.28Å; P493-E497 VanDerWaalsContact O-CB 3.28Å; P493-E497 WeakPolarHBondContact O-CB 3.33Å; P493-E497 PolarHBondContact O-N 2.92Å
494T88.9Confident85.7Confident110 Ų11075.4 Ų75.468%0.67541%0.411SS*.Hα-helixtrans-69.4-37.4-179.2-48.50000112.2D492 E497 A498D492-T494 VanDerWaalsContact C-N 3.32Å; D492-T494 PolarHBondContact O-N 3.33Å; T494-E497 PolarHBondContact O-N 3.38Å; T494-A498 VanDerWaalsContact O-CB 3.29Å; T494-A498 WeakPolarHBondContact O-CB 3.47Å; T494-A498 PolarHBondContact O-N 2.68Å
495K88.8Confident86.3Confident149 Ų14974 Ų7465%0.64841%0.408SS*.Hα-helixtrans-70.3-45.4-178.3-174.1179.1179-178.20111D492 E497 A498 H499D492-K495 HydrophobicContact CB-CB 3.83Å; D492-K495 HydrophobicContact CB-CD 4.44Å; D492-K495 PolarHBondContact O-N 3.48Å; K495-E497 VanDerWaalsContact C-N 3.32Å; K495-E497 PolarHBondContact O-N 2.84Å; K495-A498 PolarHBondContact O-N 2.97Å; K495-H499 WeakPolarHBondContact O-CB 3.42Å; K495-H499 PolarHBondContact O-N 3.06Å
496V86.8Confident86.8Confident13 Ų1379.2 Ų79.28%0.07943%0.429CS..Hα-helixtrans-67.1-35.7176.6-60.60000111.5L481 E488 A489 D492 P493 H499 V500L481-V496 HydrophobicContact CD1-CB 4.23Å; L481-V496 HydrophobicContact CD1-CG2 4.15Å; L481-V496 HydrophobicContact CD2-CG2 4.27Å; L481-V496 HydrophobicContact CG-CG2 4.48Å; E488-V496 HydrophobicContact CB-CG1 4.11Å; A489-V496 HydrophobicContact CB-CB 4.5Å; A489-V496 HydrophobicContact CB-CG2 3.63Å; D492-V496 PolarHBondContact O-N 2.9Å; P493-V496 WeakPolarHBondContact O-CG2 3.28Å; V496-H499 PolarHBondContact O-N 3.26Å; V496-V500 WeakPolarHBondContact O-CG2 3.34Å; V496-V500 PolarHBondContact O-N 3.26Å
497E87.4Confident87.4Confident57 Ų5781.5 Ų81.527%0.26643%0.431SS..Hα-helixtrans-66.9-45.9176.1-166.9-169178.100111P493 T494 K495 H499 V500 R501P493-E497 VanDerWaalsContact O-CB 3.28Å; P493-E497 WeakPolarHBondContact O-CB 3.33Å; P493-E497 PolarHBondContact O-N 2.92Å; T494-E497 PolarHBondContact O-N 3.38Å; K495-E497 VanDerWaalsContact C-N 3.32Å; K495-E497 PolarHBondContact O-N 2.84Å; E497-H499 VanDerWaalsContact C-N 3.32Å; E497-H499 PolarHBondContact O-N 3.26Å; E497-V500 PolarHBondContact O-N 3.15Å; E497-R501 HydrophobicContact CG-CG 4.47Å; E497-R501 WeakPolarHBondContact O-CB 3.47Å; E497-R501 WeakPolarHBondContact O-CG 3.41Å; E497-R501 PolarHBondContact O-N 3.41Å; E497-R501 IonicContact OE1-CZ 3.81Å; E497-R501 IonicContact OE1-NE 2.7Å; E497-R501 PolarHBondContact OE1-NE 3.38Å; E497-R501 IonicContact OE1-NH2 3.46Å; E497-R501 PolarHBondContact OE1-NH2 3.09Å; E497-R501 IonicContact OE2-NH2 3.43Å; E497-R501 PolarHBondContact OE2-NH2 3.05Å
498A90.4Very high88Confident55 Ų5581.4 Ų81.446%0.45542%0.422SS..Hα-helixtrans-59-43.1175.500000111.5T494 K495 R501 A502T494-A498 VanDerWaalsContact O-CB 3.29Å; T494-A498 WeakPolarHBondContact O-CB 3.47Å; T494-A498 PolarHBondContact O-N 2.68Å; K495-A498 PolarHBondContact O-N 2.97Å; A498-R501 PolarHBondContact O-N 2.82Å; A498-A502 VanDerWaalsContact O-CB 3.29Å; A498-A502 WeakPolarHBondContact O-CB 3.48Å; A498-A502 PolarHBondContact O-N 2.97Å
499H87.8Confident88.8Confident115 Ų11582.1 Ų82.153%0.53242%0.423SS..Hα-helixtrans-62.2-45.6176-173.876.4000112K495 V496 E497 A502 Q503K495-H499 WeakPolarHBondContact O-CB 3.42Å; K495-H499 PolarHBondContact O-N 3.06Å; V496-H499 PolarHBondContact O-N 3.26Å; E497-H499 VanDerWaalsContact C-N 3.32Å; E497-H499 PolarHBondContact O-N 3.26Å; H499-A502 PolarHBondContact O-N 3.1Å; H499-Q503 WeakPolarHBondContact O-CB 3.38Å; H499-Q503 PolarHBondContact O-N 3.32Å
500V89.4Confident89.6Confident0 Ų084.5 Ų84.50%044%0.442CS..Hα-helixtrans-69.2-36.9178.4171.80000112.2V476 I478 L481 L485 V496 E497 Q503 M504V476-V500 HydrophobicContact CB-CG1 4.18Å; V476-V500 HydrophobicContact CB-CG2 3.88Å; V476-V500 HydrophobicContact CG1-CB 4.47Å; V476-V500 HydrophobicContact CG1-CG1 3.99Å; V476-V500 HydrophobicContact CG1-CG2 3.56Å; I478-V500 HydrophobicContact CG1-CG1 4.37Å; L481-V500 HydrophobicContact CD1-CB 4.08Å; L481-V500 HydrophobicContact CD1-CG2 3.44Å; L481-V500 VanDerWaalsContact CD1-CG2 3.44Å; L485-V500 HydrophobicContact CD1-CG2 4.2Å; V496-V500 WeakPolarHBondContact O-CG2 3.34Å; V496-V500 PolarHBondContact O-N 3.26Å; E497-V500 PolarHBondContact O-N 3.15Å; V500-Q503 PolarHBondContact O-N 3.03Å; V500-M504 HydrophobicContact CG1-SD 4.43Å; V500-M504 WeakPolarHBondContact O-CB 3.33Å; V500-M504 WeakPolarHBondContact O-CG 3.29Å; V500-M504 PolarHBondContact O-N 3.18Å
501R91.4Very high90.2Very high142 Ų14284.5 Ų84.554%0.53643%0.434SS..Hα-helixtrans-63-43.5171.1-75.2-175-162.9176.96.1110.9I478 E497 A498 Q503 M504 A505I478-R501 HydrophobicContact CD1-CG 4.25Å; E497-R501 HydrophobicContact CG-CG 4.47Å; E497-R501 WeakPolarHBondContact O-CB 3.47Å; E497-R501 WeakPolarHBondContact O-CG 3.41Å; E497-R501 PolarHBondContact O-N 3.41Å; E497-R501 IonicContact OE1-CZ 3.81Å; E497-R501 IonicContact OE1-NE 2.7Å; E497-R501 PolarHBondContact OE1-NE 3.38Å; E497-R501 IonicContact OE1-NH2 3.46Å; E497-R501 PolarHBondContact OE1-NH2 3.09Å; E497-R501 IonicContact OE2-NH2 3.43Å; E497-R501 PolarHBondContact OE2-NH2 3.05Å; A498-R501 PolarHBondContact O-N 2.82Å; R501-Q503 VanDerWaalsContact C-N 3.35Å; R501-Q503 PolarHBondContact O-N 3.28Å; R501-M504 PolarHBondContact O-N 2.88Å; R501-A505 VanDerWaalsContact O-CB 3.27Å; R501-A505 WeakPolarHBondContact O-CB 3.3Å; R501-A505 PolarHBondContact O-N 3.38Å
502A91.3Very high90.8Very high60 Ų6083.2 Ų83.250%0.49643%0.428SS..Hα-helixtrans-62.3-41.7175.200000111.4A498 H499 A505 K506A498-A502 VanDerWaalsContact O-CB 3.29Å; A498-A502 WeakPolarHBondContact O-CB 3.48Å; A498-A502 PolarHBondContact O-N 2.97Å; H499-A502 PolarHBondContact O-N 3.1Å; A502-A505 PolarHBondContact O-N 2.87Å; A502-K506 VanDerWaalsContact O-CB 3.29Å; A502-K506 WeakPolarHBondContact O-CB 3.38Å; A502-K506 PolarHBondContact O-N 3.38Å
503Q90.6Very high91.2Very high19 Ų1984.1 Ų84.19%0.08943%0.43CS..Hα-helixtrans-66.4-39.8175.9-153.5-165.532.200111.8E473 P474 H499 V500 R501 K506 R507E473-Q503 PolarHBondContact OE2-NE2 3.48Å; P474-Q503 PolarHBondContact O-NE2 3.2Å; H499-Q503 WeakPolarHBondContact O-CB 3.38Å; H499-Q503 PolarHBondContact O-N 3.32Å; V500-Q503 PolarHBondContact O-N 3.03Å; R501-Q503 VanDerWaalsContact C-N 3.35Å; R501-Q503 PolarHBondContact O-N 3.28Å; Q503-K506 PolarHBondContact O-N 3.31Å; Q503-R507 WeakPolarHBondContact O-CG 3.2Å; Q503-R507 PolarHBondContact O-N 2.81Å
504M90.9Very high91.7Very high53 Ų5382.3 Ų82.326%0.26142%0.421SS..Hα-helixtrans-64-44.8173-79.3-175.454.100111.8I478 V500 R501 R507 Q508I478-M504 HydrophobicContact CD1-SD 4.24Å; I478-M504 HydrophobicContact CG1-SD 3.99Å; V500-M504 HydrophobicContact CG1-SD 4.43Å; V500-M504 WeakPolarHBondContact O-CB 3.33Å; V500-M504 WeakPolarHBondContact O-CG 3.29Å; V500-M504 PolarHBondContact O-N 3.18Å; R501-M504 PolarHBondContact O-N 2.88Å; M504-R507 PolarHBondContact O-N 3.45Å; M504-Q508 WeakPolarHBondContact O-CG 3.42Å; M504-Q508 PolarHBondContact O-N 2.83Å
505A92.6Very high92Very high51 Ų5180.2 Ų80.242%0.42141%0.406SS..Hα-helixtrans-63.4-4217600000111.1R501 A502 R507 Q508 K509R501-A505 VanDerWaalsContact O-CB 3.27Å; R501-A505 WeakPolarHBondContact O-CB 3.3Å; R501-A505 PolarHBondContact O-N 3.38Å; A502-A505 PolarHBondContact O-N 2.87Å; A505-R507 VanDerWaalsContact C-N 3.33Å; A505-R507 PolarHBondContact O-N 2.88Å; A505-Q508 PolarHBondContact O-N 3.3Å; A505-K509 WeakPolarHBondContact O-CB 3.32Å; A505-K509 PolarHBondContact O-N 3.42Å
506K92.4Very high92.2Very high143 Ų14376.2 Ų76.262%0.62240%0.401SS*.Hα-helixtrans-59.6-41.9173.6-173.5176.5-178.6-1800111.4A502 Q503 A510A502-K506 VanDerWaalsContact O-CB 3.29Å; A502-K506 WeakPolarHBondContact O-CB 3.38Å; A502-K506 PolarHBondContact O-N 3.38Å; Q503-K506 PolarHBondContact O-N 3.31Å; K506-A510 VanDerWaalsContact O-CB 3.28Å; K506-A510 WeakPolarHBondContact O-CB 3.35Å; K506-A510 PolarHBondContact O-N 2.83Å
507R91.1Very high92.5Very high73 Ų7379.8 Ų79.828%0.27543%0.432SS..Hα-helixtrans-66.1-42.2174.8-74.7-177.7-118.2137.9-8.9112.7K475 V476 Q503 M504 A505 H511K475-R507 VanDerWaalsContact CG-NH1 3.35Å; V476-R507 VanDerWaalsContact N-NH2 3.16Å; V476-R507 PolarHBondContact O-NH1 3.11Å; V476-R507 VanDerWaalsContact O-NH1 3.1Å; V476-R507 PolarHBondContact O-NH2 3.22Å; Q503-R507 WeakPolarHBondContact O-CG 3.2Å; Q503-R507 PolarHBondContact O-N 2.81Å; M504-R507 PolarHBondContact O-N 3.45Å; A505-R507 VanDerWaalsContact C-N 3.33Å; A505-R507 PolarHBondContact O-N 2.88Å; R507-H511 WeakPolarHBondContact O-CB 3.41Å; R507-H511 PolarHBondContact O-N 3.1Å
508Q93.4Very high92.7Very high117 Ų11786.1 Ų86.155%0.54745%0.453SS..Hα-helixtrans-63.9-48.1175.8-76.4175-17.900110.8M504 A505 A510 H511 E512M504-Q508 WeakPolarHBondContact O-CG 3.42Å; M504-Q508 PolarHBondContact O-N 2.83Å; A505-Q508 PolarHBondContact O-N 3.3Å; Q508-A510 PolarHBondContact O-N 2.98Å; Q508-H511 WeakPolarHBondContact O-CB 3.36Å; Q508-H511 PolarHBondContact O-N 2.92Å; Q508-H511 VanDerWaalsContact O-N 3.15Å; Q508-E512 WeakPolarHBondContact O-CG 3.33Å; Q508-E512 PolarHBondContact O-N 3.06Å
509K95.9Very high92.8Very high126 Ų12690.5 Ų90.555%0.54846%0.462SS..Hα-helixtrans-57.6-49.1175.8-177.6172.8172.8175.60111.5A505 H511 E512 E513A505-K509 WeakPolarHBondContact O-CB 3.32Å; A505-K509 PolarHBondContact O-N 3.42Å; K509-H511 VanDerWaalsContact C-N 3.29Å; K509-H511 PolarHBondContact O-N 2.92Å; K509-E512 CarbonylContact O-C 3.59Å; K509-E512 PolarHBondContact O-N 2.84Å; K509-E512 VanDerWaalsContact O-N 3.14Å; K509-E513 WeakPolarHBondContact CE-OE1 3.44Å; K509-E513 HydrophobicContact CG-CG 4.22Å; K509-E513 WeakPolarHBondContact CG-OE1 3.38Å; K509-E513 IonicContact NZ-OE1 3.82Å; K509-E513 WeakPolarHBondContact O-CB 3.38Å; K509-E513 VanDerWaalsContact O-CG 3.28Å; K509-E513 WeakPolarHBondContact O-CG 3.49Å; K509-E513 PolarHBondContact O-N 3.49Å
510A94.6Very high93.1Very high52 Ų5287.8 Ų87.843%0.4345%0.451SS..Hα-helixtrans-60.8-36.7176.700000112.8K506 Q508 A514K506-A510 VanDerWaalsContact O-CB 3.28Å; K506-A510 WeakPolarHBondContact O-CB 3.35Å; K506-A510 PolarHBondContact O-N 2.83Å; Q508-A510 PolarHBondContact O-N 2.98Å; A510-A514 VanDerWaalsContact O-CB 3.25Å; A510-A514 WeakPolarHBondContact O-CB 3.26Å; A510-A514 PolarHBondContact O-N 3.5Å
511H95Very high93.2Very high120 Ų12091.1 Ų91.156%0.55647%0.471SS*.Hα-helixtrans-67.7-43.3173.9169.9-98.8000112.1R507 Q508 K509 A514 N515R507-H511 WeakPolarHBondContact O-CB 3.41Å; R507-H511 PolarHBondContact O-N 3.1Å; Q508-H511 WeakPolarHBondContact O-CB 3.36Å; Q508-H511 PolarHBondContact O-N 2.92Å; Q508-H511 VanDerWaalsContact O-N 3.15Å; K509-H511 VanDerWaalsContact C-N 3.29Å; K509-H511 PolarHBondContact O-N 2.92Å; H511-A514 PolarHBondContact O-N 2.84Å; H511-N515 PolarHBondContact CE1-ND2 2.85Å; H511-N515 PolarHBondContact ND1-ND2 3.45Å; H511-N515 PolarHBondContact NE2-ND2 3.27Å; H511-N515 VanDerWaalsContact NE2-ND2 3.14Å; H511-N515 WeakPolarHBondContact O-CB 3.48Å; H511-N515 PolarHBondContact O-N 3.33Å; H511-N515 PolarHBondContact O-ND2 2.83Å
512E96Very high93.3Very high131 Ų13187.6 Ų87.661%0.61247%0.472SS*.Hα-helixtrans-66.2-42.7176.6-72.8179.1-17800112.1Q508 K509 N515 A516Q508-E512 WeakPolarHBondContact O-CG 3.33Å; Q508-E512 PolarHBondContact O-N 3.06Å; K509-E512 CarbonylContact O-C 3.59Å; K509-E512 PolarHBondContact O-N 2.84Å; K509-E512 VanDerWaalsContact O-N 3.14Å; E512-N515 CarbonylContact O-C 3.44Å; E512-N515 PolarHBondContact O-N 3.34Å; E512-A516 VanDerWaalsContact O-CB 3.27Å; E512-A516 WeakPolarHBondContact O-CB 3.45Å; E512-A516 PolarHBondContact O-N 3.02Å
513E96.1Very high93.4Very high106 Ų10692 Ų9250%0.49548%0.483SS..Hα-helixtrans-61.5-46174.1-75173.6173.400111.2K509 N515 A516 A517K509-E513 WeakPolarHBondContact CE-OE1 3.44Å; K509-E513 HydrophobicContact CG-CG 4.22Å; K509-E513 WeakPolarHBondContact CG-OE1 3.38Å; K509-E513 IonicContact NZ-OE1 3.82Å; K509-E513 WeakPolarHBondContact O-CB 3.38Å; K509-E513 VanDerWaalsContact O-CG 3.28Å; K509-E513 WeakPolarHBondContact O-CG 3.49Å; K509-E513 PolarHBondContact O-N 3.49Å; E513-N515 VanDerWaalsContact C-N 3.28Å; E513-N515 PolarHBondContact O-N 3.36Å; E513-A516 PolarHBondContact O-N 2.88Å; E513-A517 VanDerWaalsContact O-CB 3.31Å; E513-A517 WeakPolarHBondContact O-CB 3.48Å; E513-A517 PolarHBondContact O-N 2.91Å
514A94.1Very high93.5Very high37 Ų3795.8 Ų95.831%0.30650%0.501SS..Hα-helixtrans-62.3-36.2175.200000112.1A510 H511 R518A510-A514 VanDerWaalsContact O-CB 3.25Å; A510-A514 WeakPolarHBondContact O-CB 3.26Å; A510-A514 PolarHBondContact O-N 3.5Å; H511-A514 PolarHBondContact O-N 2.84Å; A514-R518 VanDerWaalsContact O-CG 3.3Å; A514-R518 WeakPolarHBondContact O-CG 3.22Å; A514-R518 PolarHBondContact O-N 3.34Å; A514-R518 VanDerWaalsContact O-N 3.14Å
515N95.4Very high93.6Very high66 Ų6699.7 Ų99.735%0.35351%0.513SS..Hα-helixtrans-73.1-39175.6-70.9-22.6000112.1H511 E512 E513 R518 K519H511-N515 PolarHBondContact CE1-ND2 2.85Å; H511-N515 PolarHBondContact ND1-ND2 3.45Å; H511-N515 PolarHBondContact NE2-ND2 3.27Å; H511-N515 VanDerWaalsContact NE2-ND2 3.14Å; H511-N515 WeakPolarHBondContact O-CB 3.48Å; H511-N515 PolarHBondContact O-N 3.33Å; H511-N515 PolarHBondContact O-ND2 2.83Å; E512-N515 CarbonylContact O-C 3.44Å; E512-N515 PolarHBondContact O-N 3.34Å; E513-N515 VanDerWaalsContact C-N 3.28Å; E513-N515 PolarHBondContact O-N 3.36Å; N515-R518 PolarHBondContact O-N 3.43Å; N515-K519 VanDerWaalsContact O-CB 3.29Å; N515-K519 WeakPolarHBondContact O-CB 3.29Å; N515-K519 PolarHBondContact O-N 2.93Å
516A92.8Very high93.6Very high65 Ų65104 Ų10454%0.53752%0.522SS..Hα-helixtrans-63.8-44175.900000110.8E512 E513 R518 K519E512-A516 VanDerWaalsContact O-CB 3.27Å; E512-A516 WeakPolarHBondContact O-CB 3.45Å; E512-A516 PolarHBondContact O-N 3.02Å; E513-A516 PolarHBondContact O-N 2.88Å; A516-R518 PolarHBondContact O-N 2.94Å; A516-K519 WeakPolarHBondContact O-CB 3.44Å; A516-K519 PolarHBondContact O-N 3.5Å
517A93.9Very high93.6Very high88 Ų88101.8 Ų101.873%0.72752%0.52SS*.Hα-helixtrans-63.4-38.4175.700000112.7E513 K519E513-A517 VanDerWaalsContact O-CB 3.31Å; E513-A517 WeakPolarHBondContact O-CB 3.48Å; E513-A517 PolarHBondContact O-N 2.91Å; A517-K519 VanDerWaalsContact C-N 3.35Å
518R91.6Very high93.7Very high189 Ų189104.6 Ų104.671%0.71353%0.534SS*.Hα-helixtrans-76.3-21174.8-70.4-178.5-152.5136.12.6113.6A514 N515 A516 L520A514-R518 VanDerWaalsContact O-CG 3.3Å; A514-R518 WeakPolarHBondContact O-CG 3.22Å; A514-R518 PolarHBondContact O-N 3.34Å; A514-R518 VanDerWaalsContact O-N 3.14Å; N515-R518 PolarHBondContact O-N 3.43Å; A516-R518 PolarHBondContact O-N 2.94Å; R518-L520 PolarHBondContact O-N 3.33Å; R518-L520 VanDerWaalsContact O-N 3.17Å
519K92.8Very high93.5Very high147 Ų147106 Ų10664%0.63954%0.538SS*.SBendtrans-71.2113.5-178-173.1176.1-176.1179.70108.2N515 A516 A517 T521N515-K519 VanDerWaalsContact O-CB 3.29Å; N515-K519 WeakPolarHBondContact O-CB 3.29Å; N515-K519 PolarHBondContact O-N 2.93Å; A516-K519 WeakPolarHBondContact O-CB 3.44Å; A516-K519 PolarHBondContact O-N 3.5Å; A517-K519 VanDerWaalsContact C-N 3.35Å; K519-T521 PolarHBondContact O-N 3.35Å
520L93.1Very high93.2Very high58 Ų58102.3 Ų102.330%0.30452%0.524SS..  trans-49.1128.5174.3-71.1155.6000110R518 Q524 R525 K528R518-L520 PolarHBondContact O-N 3.33Å; R518-L520 VanDerWaalsContact O-N 3.17Å; L520-Q524 HydrophobicContact CB-CB 4.26Å; L520-Q524 HydrophobicContact CD2-CB 3.81Å; L520-R525 HydrophobicContact CB-CG 3.43Å; L520-R525 VanDerWaalsContact CB-CG 3.43Å; L520-R525 HydrophobicContact CD1-CG 4.21Å; L520-R525 HydrophobicContact CG-CG 4.45Å; L520-R525 PolarHBondContact O-NE 2.91Å; L520-K528 HydrophobicContact CD1-CD 3.98Å; L520-K528 HydrophobicContact CD2-CD 4.05Å
521T92.8Very high93Very high70 Ų70106 Ų10643%0.42953%0.53SS..  trans-57.3158173.769.20000109.5K519 E523 Q524 R525K519-T521 PolarHBondContact O-N 3.35Å; T521-E523 PolarHBondContact O-N 2.9Å; T521-Q524 PolarHBondContact O-N 3.5Å; T521-Q524 WeakPolarHBondContact OG1-CB 3.28Å; T521-Q524 WeakPolarHBondContact OG1-CG 3.42Å; T521-Q524 PolarHBondContact OG1-N 3.4Å; T521-R525 WeakPolarHBondContact O-CG 3.44Å; T521-R525 PolarHBondContact O-N 2.86Å
522A93.4Very high92.5Very high68 Ų68107 Ų10756%0.56253%0.533SS*.Hα-helixtrans-55.7-37.7-179.800000111.8R525 K526A522-R525 PolarHBondContact O-N 3.28Å; A522-K526 PolarHBondContact O-N 3.09Å
523E93Very high91.7Very high152 Ų152101.7 Ų101.771%0.7151%0.509SS*.Hα-helixtrans-67.2-48.2176.5-62.7178.3172.800112.2T521 R525 K526 V527T521-E523 PolarHBondContact O-N 2.9Å; E523-R525 VanDerWaalsContact C-N 3.26Å; E523-R525 PolarHBondContact O-N 3.21Å; E523-K526 CarbonylContact O-C 3.58Å; E523-K526 WeakPolarHBondContact O-CA 3.22Å; E523-K526 WeakPolarHBondContact O-CB 3.49Å; E523-K526 PolarHBondContact O-N 3.39Å; E523-V527 WeakPolarHBondContact O-CG2 3.25Å; E523-V527 PolarHBondContact O-N 2.92Å
524Q93.3Very high91Very high99 Ų99103.6 Ų103.646%0.46352%0.515SS..Hα-helixtrans-60.7-37.3176.7-72.3171.3-7.100111.9L520 T521 V527 K528L520-Q524 HydrophobicContact CB-CB 4.26Å; L520-Q524 HydrophobicContact CD2-CB 3.81Å; T521-Q524 PolarHBondContact O-N 3.5Å; T521-Q524 WeakPolarHBondContact OG1-CB 3.28Å; T521-Q524 WeakPolarHBondContact OG1-CG 3.42Å; T521-Q524 PolarHBondContact OG1-N 3.4Å; Q524-V527 PolarHBondContact O-N 2.99Å; Q524-K528 WeakPolarHBondContact O-CB 3.36Å; Q524-K528 WeakPolarHBondContact O-CG 3.48Å; Q524-K528 PolarHBondContact O-N 3.34Å
525R93.2Very high89.7Confident136 Ų136107.2 Ų107.251%0.51353%0.526SS..Hα-helixtrans-64.4-42.3173.2-71.9-172.9-76.1136.70.7111.6L520 T521 A522 E523 K529L520-R525 HydrophobicContact CB-CG 3.43Å; L520-R525 VanDerWaalsContact CB-CG 3.43Å; L520-R525 HydrophobicContact CD1-CG 4.21Å; L520-R525 HydrophobicContact CG-CG 4.45Å; L520-R525 PolarHBondContact O-NE 2.91Å; T521-R525 WeakPolarHBondContact O-CG 3.44Å; T521-R525 PolarHBondContact O-N 2.86Å; A522-R525 PolarHBondContact O-N 3.28Å; E523-R525 VanDerWaalsContact C-N 3.26Å; E523-R525 PolarHBondContact O-N 3.21Å; R525-K529 WeakPolarHBondContact O-CB 3.37Å; R525-K529 PolarHBondContact O-N 2.81Å
526K91.5Very high88.5Confident142 Ų142105.7 Ų105.762%0.61752%0.518SS*.Hα-helixtrans-60.7-50.4175.5-173.9-178.1177.3-175.50110.2A522 E523 K528 K529 I530A522-K526 PolarHBondContact O-N 3.09Å; E523-K526 CarbonylContact O-C 3.58Å; E523-K526 WeakPolarHBondContact O-CA 3.22Å; E523-K526 WeakPolarHBondContact O-CB 3.49Å; E523-K526 PolarHBondContact O-N 3.39Å; K526-K528 PolarHBondContact O-N 2.89Å; K526-K529 WeakPolarHBondContact O-CB 3.5Å; K526-K529 PolarHBondContact O-N 3.34Å; K526-K529 VanDerWaalsContact O-N 3.11Å; K526-I530 HydrophobicContact CG-CD1 3.86Å; K526-I530 HydrophobicContact CG-CG1 4.44Å; K526-I530 VanDerWaalsContact O-CG1 3.27Å; K526-I530 WeakPolarHBondContact O-CG1 3.16Å; K526-I530 PolarHBondContact O-N 2.8Å
527V93.4Very high87.6Confident95 Ų95104.2 Ų104.258%0.57650%0.5SS*.Hα-helixtrans-59.5-47.6179173.90000111.7E523 Q524 K529 I530 K531E523-V527 WeakPolarHBondContact O-CG2 3.25Å; E523-V527 PolarHBondContact O-N 2.92Å; Q524-V527 PolarHBondContact O-N 2.99Å; V527-K529 VanDerWaalsContact C-N 3.27Å; V527-K529 PolarHBondContact O-N 3.29Å; V527-I530 PolarHBondContact O-N 3.46Å; V527-K531 WeakPolarHBondContact O-CB 2.97Å; V527-K531 PolarHBondContact O-N 3.33Å
528K92.6Very high86.5Confident133 Ų133104.1 Ų104.158%0.57850%0.495SS*.Hα-helixtrans-60.1-36.9175.8-76.4-171.2176.7-173.50112.5L520 Q524 K526 K532L520-K528 HydrophobicContact CD1-CD 3.98Å; L520-K528 HydrophobicContact CD2-CD 4.05Å; Q524-K528 WeakPolarHBondContact O-CB 3.36Å; Q524-K528 WeakPolarHBondContact O-CG 3.48Å; Q524-K528 PolarHBondContact O-N 3.34Å; K526-K528 PolarHBondContact O-N 2.89Å; K528-K532 WeakPolarHBondContact O-CB 3.33Å; K528-K532 PolarHBondContact O-N 3.42Å; K528-K532 VanDerWaalsContact O-N 3.16Å
529K89.4Confident85.6Confident147 Ų147102.3 Ų102.364%0.63949%0.494SS*.Hα-helixtrans-69.2-40.3176.7-171.1177.5-179-177.30112R525 K526 V527 L533R525-K529 WeakPolarHBondContact O-CB 3.37Å; R525-K529 PolarHBondContact O-N 2.81Å; K526-K529 WeakPolarHBondContact O-CB 3.5Å; K526-K529 PolarHBondContact O-N 3.34Å; K526-K529 VanDerWaalsContact O-N 3.11Å; V527-K529 VanDerWaalsContact C-N 3.27Å; V527-K529 PolarHBondContact O-N 3.29Å; K529-L533 WeakPolarHBondContact O-CG 3.24Å; K529-L533 PolarHBondContact O-N 3.26Å
530I89.1Confident85.2Confident47 Ų4796.3 Ų96.324%0.24147%0.474CS..Hα-helixtrans-65.7-48.9177-66.6173.5000110.2K526 V527 K532 L533 K534 Y568K526-I530 HydrophobicContact CG-CD1 3.86Å; K526-I530 HydrophobicContact CG-CG1 4.44Å; K526-I530 VanDerWaalsContact O-CG1 3.27Å; K526-I530 WeakPolarHBondContact O-CG1 3.16Å; K526-I530 PolarHBondContact O-N 2.8Å; V527-I530 PolarHBondContact O-N 3.46Å; I530-K532 VanDerWaalsContact C-N 3.32Å; I530-K532 PolarHBondContact O-N 3.25Å; I530-L533 PolarHBondContact O-N 3.03Å; I530-K534 PolarHBondContact O-N 3.45Å; I530-Y568 HydrophobicContact CB-CE2 4.37Å; I530-Y568 VanDerWaalsContact CD1-OH 3.31Å; I530-Y568 WeakPolarHBondContact CD1-OH 3.32Å; I530-Y568 HydrophobicContact CG1-CE2 4.03Å; I530-Y568 VanDerWaalsContact CG1-OH 3.26Å; I530-Y568 WeakPolarHBondContact CG1-OH 3.42Å; I530-Y568 HydrophobicContact CG2-CE2 4.07Å
531K89.5Confident85.1Confident129 Ų12993.6 Ų93.656%0.56146%0.46SS*.Hα-helixtrans-53.9-49178-176.2169.7178.2174.70111.2V527 L533 K534 E535V527-K531 WeakPolarHBondContact O-CB 2.97Å; V527-K531 PolarHBondContact O-N 3.33Å; K531-L533 VanDerWaalsContact C-N 3.26Å; K531-L533 PolarHBondContact O-N 2.85Å; K531-K534 PolarHBondContact O-N 2.86Å; K531-K534 VanDerWaalsContact O-N 3.15Å; K531-E535 WeakPolarHBondContact CE-OE1 3.35Å; K531-E535 HydrophobicContact CG-CG 4.23Å; K531-E535 WeakPolarHBondContact CG-OE1 3.28Å; K531-E535 IonicContact NZ-OE1 2.86Å; K531-E535 WeakPolarHBondContact O-CG 3.35Å; K531-E535 PolarHBondContact O-N 3.11Å; K531-E535 VanDerWaalsContact O-N 3.08Å
532K85.9Confident85.2Confident141 Ų14193.4 Ų93.461%0.61345%0.454SS*.Hα-helixtrans-57.5-32.7175.9-180173.9-179.2171.90114.4K528 I530K528-K532 WeakPolarHBondContact O-CB 3.33Å; K528-K532 PolarHBondContact O-N 3.42Å; K528-K532 VanDerWaalsContact O-N 3.16Å; I530-K532 VanDerWaalsContact C-N 3.32Å; I530-K532 PolarHBondContact O-N 3.25Å
533L79.4Confident85.3Confident20 Ų2090.1 Ų90.111%0.10543%0.427CS..Hα-helixtrans-84.4-29.9179.8-69.7169.9000112.3K529 I530 K531 Y568K529-L533 WeakPolarHBondContact O-CG 3.24Å; K529-L533 PolarHBondContact O-N 3.26Å; I530-L533 PolarHBondContact O-N 3.03Å; K531-L533 VanDerWaalsContact C-N 3.26Å; K531-L533 PolarHBondContact O-N 2.85Å; L533-Y568 HydrophobicContact CB-CD2 3.93Å; L533-Y568 HydrophobicContact CD1-CD2 4.02Å; L533-Y568 HydrophobicContact CD1-CE2 4.23Å
534K80.6Confident85.5Confident146 Ų14683 Ų8364%0.63539%0.393SS*.Hα-helixtrans-84.3-32.5-175.2-166.2174.9-179.5-177.80113.5I530 K531 D536I530-K534 PolarHBondContact O-N 3.45Å; K531-K534 PolarHBondContact O-N 2.86Å; K531-K534 VanDerWaalsContact O-N 3.15Å; K534-D536 PolarHBondContact O-N 2.87Å
535E67.9Low85.7Confident114 Ų11478.3 Ų78.353%0.53337%0.372SS..G310 helixtrans-66.8-17.2-179.7-71.8170.7158.300113.8K531 I537K531-E535 WeakPolarHBondContact CE-OE1 3.35Å; K531-E535 HydrophobicContact CG-CG 4.23Å; K531-E535 WeakPolarHBondContact CG-OE1 3.28Å; K531-E535 IonicContact NZ-OE1 2.86Å; K531-E535 WeakPolarHBondContact O-CG 3.35Å; K531-E535 PolarHBondContact O-N 3.11Å; K531-E535 VanDerWaalsContact O-N 3.08Å; E535-I537 PolarHBondContact O-N 3.49Å; E535-I537 VanDerWaalsContact O-N 3.07Å
536D69Low85.9Confident33 Ų3371.8 Ų71.818%0.17635%0.347CS..G310 helixtrans-71.73.9-176.4-79.2-13.1000114.5K534 G587 P588 K589K534-D536 PolarHBondContact O-N 2.87Å; D536-G587 WeakPolarHBondContact O-CA 3.39Å; D536-P588 VanDerWaalsContact O-CD 3.31Å; D536-P588 WeakPolarHBondContact O-CD 3.37Å; D536-K589 IonicContact OD1-NZ 3.19Å; D536-K589 PolarHBondContact OD1-NZ 3.23Å; D536-K589 WeakPolarHBondContact OD2-CB 3.36Å; D536-K589 WeakPolarHBondContact OD2-CD 3.3Å; D536-K589 WeakPolarHBondContact OD2-CG 3.4Å; D536-K589 IonicContact OD2-NZ 3.01Å; D536-K589 PolarHBondContact OD2-NZ 3.35Å
537I75.1Confident86Confident34 Ų3466.4 Ų66.417%0.17432%0.323CS..G310 helixtrans-111.4-2.3-174.2-51168.4000112.5E535 Q539 G540 V541E535-I537 PolarHBondContact O-N 3.49Å; E535-I537 VanDerWaalsContact O-N 3.07Å; I537-Q539 VanDerWaalsContact C-N 3.29Å; I537-Q539 PolarHBondContact O-N 3.44Å; I537-G540 PolarHBondContact O-N 3.3Å; I537-V541 HydrophobicContact CG2-CB 4.22Å; I537-V541 HydrophobicContact CG2-CG2 4.42Å
538S69.8Low86Confident87 Ų8762 Ų6261%0.60830%0.296SS*.THydrogen-bonded Turntrans-68.1-20.8-172-164.80000115.3
539Q73.2Confident85.9Confident151 Ų15159.4 Ų59.471%0.70628%0.283SS*.THydrogen-bonded Turntrans-102.316.3-176.3-69.6179.8-25.700112.3V428 I537V428-Q539 HydrophobicContact CG1-CB 4.06Å; V428-Q539 HydrophobicContact CG1-CG 4.42Å; I537-Q539 VanDerWaalsContact C-N 3.29Å; I537-Q539 PolarHBondContact O-N 3.44Å
540G84.5Confident85.8Confident20 Ų2056 Ų5621%0.20627%0.271CS..  trans112.7163.2-170.600000112I537I537-G540 PolarHBondContact O-N 3.3Å
541V91.5Very high85.9Confident1 Ų153.8 Ų53.81%0.00626%0.26CS..EExtended strand (participates in β ladder)trans-100.6128.9-178.965.80000110.5I537 I543 E585 G586 T637 A638 D640 R641I537-V541 HydrophobicContact CG2-CB 4.22Å; I537-V541 HydrophobicContact CG2-CG2 4.42Å; V541-I543 HydrophobicContact CG1-CD1 4.35Å; V541-I543 HydrophobicContact CG1-CG1 4.29Å; V541-E585 HydrophobicContact CG2-CB 3.74Å; V541-G586 VanDerWaalsContact CG2-N 3.25Å; V541-T637 CarbonylContact O-C 3.6Å; V541-T637 VanDerWaalsContact O-CA 3.26Å; V541-T637 WeakPolarHBondContact O-CA 3.28Å; V541-A638 HydrophobicContact CG1-CB 3.95Å; V541-A638 WeakPolarHBondContact CG1-O 3.09Å; V541-A638 PolarHBondContact N-O 2.92Å; V541-A638 PolarHBondContact O-N 2.99Å; V541-D640 VanDerWaalsContact CG1-O 3.25Å; V541-D640 WeakPolarHBondContact CG1-O 3.42Å; V541-R641 HydrophobicContact CB-CG 4.32Å; V541-R641 HydrophobicContact CG2-CG 4.13Å
542H93.8Very high85.8Confident66 Ų6651.4 Ų51.431%0.30626%0.26SS..EExtended strand (participates in β ladder)trans-83.7136.2170.2-73-100.7000109.6E585 G586 Q591 G636 T637H542-E585 CarbonylContact O-C 3.57Å; H542-E585 WeakPolarHBondContact O-CA 3.44Å; H542-G586 WeakPolarHBondContact CA-O 3.43Å; H542-G586 WeakPolarHBondContact CB-O 3.44Å; H542-G586 PolarHBondContact N-O 3.18Å; H542-G586 PolarHBondContact O-N 3.37Å; H542-G586 VanDerWaalsContact O-O 3.08Å; H542-Q591 HydrophobicContact CB-CG 3.84Å; H542-Q591 PolarHBondContact O-NE2 3.29Å; H542-G636 CarbonylContact C-O 3.34Å; H542-G636 WeakPolarHBondContact CA-O 3.28Å; H542-T637 VanDerWaalsContact CE1-CG2 3.42Å; H542-T637 WeakPolarHBondContact CE1-CG2 3.5Å; H542-T637 WeakPolarHBondContact ND1-CG2 3.36Å
543I95.4Very high86Confident0 Ų046.2 Ų46.20%024%0.239CC..EExtended strand (participates in β ladder)trans-121140.5-176.8-55.3-175.8000108.9V541 V545 V583 V584 E585 W634 E635 G636 A638 Y669V541-I543 HydrophobicContact CG1-CD1 4.35Å; V541-I543 HydrophobicContact CG1-CG1 4.29Å; I543-V545 HydrophobicContact CG2-CG2 4.35Å; I543-V583 HydrophobicContact CG2-CG1 4.08Å; I543-V584 CarbonylContact C-O 3.59Å; I543-V584 VanDerWaalsContact CA-O 3.31Å; I543-V584 WeakPolarHBondContact CA-O 3.35Å; I543-E585 HydrophobicContact CD1-CG 4.15Å; I543-E585 HydrophobicContact CG1-CB 4.23Å; I543-E585 HydrophobicContact CG1-CG 3.93Å; I543-E585 HydrophobicContact CG2-CG 4.27Å; I543-W634 HydrophobicContact CB-CE3 4.46Å; I543-W634 HydrophobicContact CB-CZ3 3.7Å; I543-W634 HydrophobicContact CG2-CE3 4.2Å; I543-W634 HydrophobicContact CG2-CZ3 3.74Å; I543-E635 WeakPolarHBondContact O-CA 3.49Å; I543-G636 PolarHBondContact N-O 2.79Å; I543-G636 PolarHBondContact O-N 3.36Å; I543-A638 HydrophobicContact CD1-CB 3.48Å; I543-A638 VanDerWaalsContact CD1-CB 3.48Å; I543-A638 HydrophobicContact CG1-CB 4.39Å; I543-Y669 HydrophobicContact CD1-CE2 4.47Å; I543-Y669 VanDerWaalsContact CD1-OH 3.29Å; I543-Y669 WeakPolarHBondContact CD1-OH 3.42Å; I543-Y669 HydrophobicContact CG2-CE2 4.4Å
544S96.9Very high86.6Confident1 Ų150.2 Ų50.21%0.00727%0.266CS..EExtended strand (participates in β ladder)trans-132.5129.4170.4-61.80000109.3Y546 V584 Q591 W634S544-Y546 VanDerWaalsContact CB-CE2 3.49Å; S544-Y546 WeakPolarHBondContact CB-OH 3.33Å; S544-V584 PolarHBondContact N-O 2.9Å; S544-V584 PolarHBondContact O-N 3.04Å; S544-Q591 PolarHBondContact OG-OE1 3.26Å; S544-W634 CarbonylContact C-O 3.6Å; S544-W634 WeakPolarHBondContact CA-O 3.3Å
545V97.4Very high87.1Confident1 Ų145.8 Ų45.81%0.00626%0.256CS..EExtended strand (participates in β ladder)trans-111120.6177.4-178.90000107.6I543 V581 V583 V633 W634 Y669I543-V545 HydrophobicContact CG2-CG2 4.35Å; V545-V581 HydrophobicContact CG1-CG1 3.88Å; V545-V583 HydrophobicContact CG1-CG2 4.23Å; V545-V583 HydrophobicContact CG2-CG1 4.32Å; V545-V583 HydrophobicContact CG2-CG2 4.09Å; V545-V633 HydrophobicContact CB-CB 4.45Å; V545-V633 HydrophobicContact CG1-CB 4.2Å; V545-V633 PolarHBondContact O-N 3.48Å; V545-W634 HydrophobicContact CB-CB 4.19Å; V545-W634 HydrophobicContact CG2-CB 4.37Å; V545-W634 HydrophobicContact CG2-CE3 4.05Å; V545-W634 PolarHBondContact N-O 3.28Å; V545-W634 PolarHBondContact O-N 3.14Å; V545-Y669 HydrophobicContact CG2-CD1 3.82Å; V545-Y669 HydrophobicContact CG2-CD2 4.39Å; V545-Y669 HydrophobicContact CG2-CE1 4.44Å; V545-Y669 HydrophobicContact CG2-CG 3.82Å
546Y97.1Very high88.4Confident0 Ų040.9 Ų40.90%023%0.233CC..EExtended strand (participates in β ladder)trans-112.6143.6175.1-52.6-91.5000109.6S544 V581 V582 F594 K595 M598 L599 V631 L632S544-Y546 VanDerWaalsContact CB-CE2 3.49Å; S544-Y546 WeakPolarHBondContact CB-OH 3.33Å; Y546-V581 WeakPolarHBondContact O-CA 3.32Å; Y546-V582 HydrophobicContact CD2-CG1 4.41Å; Y546-V582 PolarHBondContact N-O 3.16Å; Y546-V582 PolarHBondContact O-N 2.86Å; Y546-F594 HydrophobicContact CD2-CE1 4.38Å; Y546-F594 AromaticContact CE2-CD1 3.89Å; Y546-F594 HydrophobicContact CE2-CD1 3.89Å; Y546-F594 HydrophobicContact CE2-CE1 4Å; Y546-K595 WeakPolarHBondContact OH-CA 3.46Å; Y546-K595 VanDerWaalsContact OH-CB 3.32Å; Y546-K595 WeakPolarHBondContact OH-CB 3.34Å; Y546-M598 HydrophobicContact CD1-CB 4.11Å; Y546-M598 HydrophobicContact CD1-CG 4.45Å; Y546-M598 HydrophobicContact CD2-CG 4.35Å; Y546-M598 HydrophobicContact CE1-CB 3.99Å; Y546-M598 HydrophobicContact CE1-CG 4.36Å; Y546-M598 HydrophobicContact CE2-CG 4.28Å; Y546-M598 HydrophobicContact CG-CE 4.29Å; Y546-M598 HydrophobicContact CG-CG 4.45Å; Y546-L599 HydrophobicContact CD1-CD2 4.43Å; Y546-L599 HydrophobicContact CE1-CD2 4.49Å; Y546-L599 HydrophobicContact CE1-CG 4.4Å; Y546-V631 VanDerWaalsContact CA-O 3.24Å; Y546-V631 WeakPolarHBondContact CA-O 3.38Å; Y546-L632 HydrophobicContact CD1-CB 4.15Å; Y546-L632 HydrophobicContact CD1-CD1 3.91Å; Y546-L632 HydrophobicContact CE1-CB 4.13Å; Y546-L632 HydrophobicContact CE1-CD1 3.53Å; Y546-L632 HydrophobicContact CE1-CG 4.41Å
547R94.3Very high89.5Confident29 Ų2942.2 Ų42.211%0.10924%0.237CC..EExtended strand (participates in β ladder)trans-109.6139.3163.974167.9179.3-102.34.5110.4N580 C630 V631 V633 E676 E680R547-N580 CarbonylContact C-O 3.58Å; R547-N580 WeakPolarHBondContact CA-O 3.4Å; R547-C630 WeakPolarHBondContact O-CA 3.45Å; R547-V631 HydrophobicContact CG-CG2 3.28Å; R547-V631 PolarHBondContact N-O 3.29Å; R547-V631 PolarHBondContact O-N 2.79Å; R547-V633 HydrophobicContact CB-CG2 3.78Å; R547-V633 HydrophobicContact CG-CG2 3.64Å; R547-E676 IonicContact CZ-OE2 3.92Å; R547-E676 IonicContact NH1-OE2 3.03Å; R547-E676 PolarHBondContact NH1-OE2 2.94Å; R547-E680 IonicContact CZ-OE2 2.81Å; R547-E680 IonicContact NE-OE2 3.38Å; R547-E680 PolarHBondContact NE-OE2 2.83Å; R547-E680 IonicContact NH2-OE2 3.78Å; R547-E680 PolarHBondContact NH2-OE2 3.18Å
548V93.9Very high90.5Very high1 Ų147 Ų471%0.00626%0.258CS..EExtended strand (participates in β ladder)trans-130.2128.1176.3-176.60000108.2L551 N580 M598 W604 C630V548-L551 HydrophobicContact CG1-CB 4.45Å; V548-N580 HydrophobicContact CB-CB 4.44Å; V548-N580 PolarHBondContact N-O 3.03Å; V548-N580 WeakPolarHBondContact O-CA 3.48Å; V548-N580 VanDerWaalsContact O-CB 3.27Å; V548-N580 WeakPolarHBondContact O-CB 3.19Å; V548-N580 PolarHBondContact O-N 2.97Å; V548-N580 PolarHBondContact O-ND2 3.33Å; V548-M598 HydrophobicContact CG2-CE 4.24Å; V548-W604 HydrophobicContact CG1-CD2 4.36Å; V548-W604 HydrophobicContact CG1-CE3 3.66Å; V548-W604 HydrophobicContact CG1-CH2 4.3Å; V548-W604 HydrophobicContact CG1-CZ3 3.64Å; V548-W604 HydrophobicContact CG2-CH2 4.14Å; V548-W604 HydrophobicContact CG2-CZ2 4.36Å; V548-W604 HydrophobicContact CG2-CZ3 4.31Å; V548-C630 HydrophobicContact CG2-CB 3.87Å
549R89.7Confident91.7Very high80 Ų8047.4 Ų47.430%0.30225%0.248SC..SBendtrans-62.5-49.7-179.2179.7176.5-98.7165.4-14.1112.2D578 N580 K625 T627 K629R549-D578 WeakPolarHBondContact CA-O 3.42Å; R549-D578 CarbonylContact O-C 3.57Å; R549-N580 PolarHBondContact O-ND2 2.98Å; R549-K625 PolarHBondContact NH1-O 3.01Å; R549-T627 PolarHBondContact NH1-O 2.81Å; R549-K629 PolarHBondContact N-O 2.99Å
550N88.7Confident92.8Very high74 Ų7440.2 Ų40.240%0.39621%0.214SC..  trans-130.9114.4179.9-170.8-38000111.5S552 N628N550-S552 VanDerWaalsContact OD1-CB 3.24Å; N550-S552 WeakPolarHBondContact OD1-CB 3.39Å; N550-S552 PolarHBondContact OD1-N 3.4Å; N550-S552 PolarHBondContact OD1-OG 2.64Å; N550-S552 VanDerWaalsContact OD1-OG 3.13Å; N550-N628 PolarHBondContact N-OD1 2.99Å; N550-N628 PolarHBondContact O-ND2 3.4Å; N550-N628 PolarHBondContact O-OD1 3.35Å
551L89.8Confident93.4Very high1 Ų143.7 Ų43.71%0.00523%0.226CC..  trans-112.234.5175.5-170.954.6000111.9V548 N553 K556 K557 I560 V573 L575 N580 V582 W604 F648V548-L551 HydrophobicContact CG1-CB 4.45Å; L551-N553 VanDerWaalsContact C-N 3.31Å; L551-N553 PolarHBondContact O-N 3.44Å; L551-K556 HydrophobicContact CD1-CB 4.12Å; L551-K557 HydrophobicContact CD1-CG 4.22Å; L551-K557 HydrophobicContact CG-CG 3.98Å; L551-K557 WeakPolarHBondContact O-CE 3.48Å; L551-I560 HydrophobicContact CD1-CD1 3.71Å; L551-I560 HydrophobicContact CD2-CD1 3.7Å; L551-I560 HydrophobicContact CG-CD1 4.37Å; L551-V573 HydrophobicContact CD2-CG1 3.61Å; L551-L575 HydrophobicContact CB-CD2 3.98Å; L551-L575 HydrophobicContact CD2-CD2 3.92Å; L551-L575 HydrophobicContact CG-CD2 4.14Å; L551-N580 HydrophobicContact CB-CB 4.06Å; L551-N580 PolarHBondContact N-ND2 3.42Å; L551-V582 HydrophobicContact CD2-CG2 4.22Å; L551-W604 HydrophobicContact CD1-CH2 3.93Å; L551-W604 HydrophobicContact CD1-CZ3 3.67Å; L551-F648 HydrophobicContact CD2-CE1 4.32Å
552S87.4Confident93.6Very high79 Ų7944.6 Ų44.655%0.55223%0.233SC*.  trans-73.3-19.3-178.5-65.80000114.1N550 P554N550-S552 VanDerWaalsContact OD1-CB 3.24Å; N550-S552 WeakPolarHBondContact OD1-CB 3.39Å; N550-S552 PolarHBondContact OD1-N 3.4Å; N550-S552 PolarHBondContact OD1-OG 2.64Å; N550-S552 VanDerWaalsContact OD1-OG 3.13Å; S552-P554 WeakPolarHBondContact O-CD 3.24Å
553N89.8Confident93.7Very high33 Ų3342.9 Ų42.918%0.17623%0.226CC..  trans-63.6121.7-178.7-157-47.5000113.1L551 A555 K556 K557 Q607L551-N553 VanDerWaalsContact C-N 3.31Å; L551-N553 PolarHBondContact O-N 3.44Å; N553-A555 VanDerWaalsContact C-N 3.31Å; N553-A555 PolarHBondContact O-N 3.19Å; N553-A555 VanDerWaalsContact OD1-CB 3.31Å; N553-A555 WeakPolarHBondContact OD1-CB 3.46Å; N553-A555 PolarHBondContact OD1-N 2.9Å; N553-K556 HydrophobicContact CB-CB 3.89Å; N553-K556 HydrophobicContact CB-CD 3.9Å; N553-K556 HydrophobicContact CB-CG 3.77Å; N553-K556 PolarHBondContact O-N 3.14Å; N553-K557 WeakPolarHBondContact O-CG 3.38Å; N553-K557 PolarHBondContact O-N 3.09Å; N553-Q607 VanDerWaalsContact CB-CD 3.44Å; N553-Q607 VanDerWaalsContact CB-OE1 3.32Å; N553-Q607 VanDerWaalsContact CG-NE2 3.28Å; N553-Q607 WeakPolarHBondContact ND2-CG 3.5Å; N553-Q607 PolarHBondContact ND2-NE2 3.33Å; N553-Q607 PolarHBondContact ND2-OE1 2.95Å
554P92.1Very high93.7Very high103 Ų10342.9 Ų42.967%0.66923%0.226SC*.Hα-helixtrans-59.2-38.8172.7-24.335.1000113.4S552 K557 F558S552-P554 WeakPolarHBondContact O-CD 3.24Å; P554-K557 PolarHBondContact O-N 3.36Å; P554-F558 WeakPolarHBondContact O-CB 3.26Å; P554-F558 PolarHBondContact O-N 2.98Å
555A92.9Very high93.5Very high53 Ų5344.2 Ų44.244%0.43824%0.24SC..Hα-helixtrans-69.1-36.5-179.200000112.5N553 K559N553-A555 VanDerWaalsContact C-N 3.31Å; N553-A555 PolarHBondContact O-N 3.19Å; N553-A555 VanDerWaalsContact OD1-CB 3.31Å; N553-A555 WeakPolarHBondContact OD1-CB 3.46Å; N553-A555 PolarHBondContact OD1-N 2.9Å; A555-K559 VanDerWaalsContact O-CG 3.27Å; A555-K559 WeakPolarHBondContact O-CG 3.42Å; A555-K559 PolarHBondContact O-N 3.44Å
556K93.2Very high93.3Very high12 Ų1250.5 Ų50.55%0.05227%0.27CS..Hα-helixtrans-73.1-40.8176.1-59.4177.2-178.9168.20110.6L551 N553 K559 I560 I602 K603 W604L551-K556 HydrophobicContact CD1-CB 4.12Å; N553-K556 HydrophobicContact CB-CB 3.89Å; N553-K556 HydrophobicContact CB-CD 3.9Å; N553-K556 HydrophobicContact CB-CG 3.77Å; N553-K556 PolarHBondContact O-N 3.14Å; K556-K559 PolarHBondContact O-N 3.45Å; K556-I560 WeakPolarHBondContact O-CG1 3.25Å; K556-I560 PolarHBondContact O-N 3.41Å; K556-I602 HydrophobicContact CB-CG2 4.48Å; K556-I602 HydrophobicContact CD-CG2 3.99Å; K556-I602 HydrophobicContact CG-CG2 3.96Å; K556-K603 WeakPolarHBondContact CE-O 3.41Å; K556-K603 PolarHBondContact NZ-O 3.41Å; K556-W604 HydrophobicContact CB-CH2 4.4Å; K556-W604 HydrophobicContact CB-CZ3 4.14Å; K556-W604 HydrophobicContact CD-CE3 3.8Å; K556-W604 HydrophobicContact CD-CZ3 3.74Å; K556-W604 HydrophobicContact CG-CZ3 4.46Å; K556-W604 PolarHBondContact NZ-O 2.97Å
557K93.9Very high93.1Very high60 Ų6051.7 Ų51.726%0.26128%0.276SS..Hα-helixtrans-56-50.7171.5-71.2-179.1-171.8-174.70111.4L551 N553 P554 K559 I560 E561 F648L551-K557 HydrophobicContact CD1-CG 4.22Å; L551-K557 HydrophobicContact CG-CG 3.98Å; L551-K557 WeakPolarHBondContact O-CE 3.48Å; N553-K557 WeakPolarHBondContact O-CG 3.38Å; N553-K557 PolarHBondContact O-N 3.09Å; P554-K557 PolarHBondContact O-N 3.36Å; K557-K559 VanDerWaalsContact C-N 3.32Å; K557-K559 PolarHBondContact O-N 3.5Å; K557-I560 WeakPolarHBondContact O-CB 3.23Å; K557-I560 PolarHBondContact O-N 3.47Å; K557-I560 VanDerWaalsContact O-N 3.12Å; K557-E561 PolarHBondContact O-N 3.35Å; K557-F648 HydrophobicContact CB-CE1 3.94Å; K557-F648 HydrophobicContact CB-CZ 3.99Å; K557-F648 HydrophobicContact CD-CE1 4.35Å; K557-F648 HydrophobicContact CG-CD1 4.48Å; K557-F648 HydrophobicContact CG-CE1 3.84Å; K557-F648 HydrophobicContact CG-CZ 4.4Å; K557-F648 WeakPolarHBondContact O-CZ 3.46Å
558F95.3Very high93Very high136 Ų13654.9 Ų54.960%0.59629%0.288SS*.Hα-helixtrans-59.5-41.3177.4176.9-100.9000112.3P554 I560 E561 A562P554-F558 WeakPolarHBondContact O-CB 3.26Å; P554-F558 PolarHBondContact O-N 2.98Å; F558-I560 VanDerWaalsContact C-N 3.34Å; F558-I560 PolarHBondContact O-N 3.28Å; F558-E561 PolarHBondContact O-N 3.06Å; F558-A562 HydrophobicContact CE1-CB 4.19Å; F558-A562 HydrophobicContact CE2-CB 4.16Å; F558-A562 HydrophobicContact CZ-CB 3.99Å; F558-A562 WeakPolarHBondContact O-CB 3.32Å; F558-A562 PolarHBondContact O-N 3.12Å
559K95.9Very high93Very high94 Ų9455 Ų5541%0.40929%0.289SS..Hα-helixtrans-60.6-43.4175.6-77172.3-176177.70111.6A555 K556 K557 N563 I602A555-K559 VanDerWaalsContact O-CG 3.27Å; A555-K559 WeakPolarHBondContact O-CG 3.42Å; A555-K559 PolarHBondContact O-N 3.44Å; K556-K559 PolarHBondContact O-N 3.45Å; K557-K559 VanDerWaalsContact C-N 3.32Å; K557-K559 PolarHBondContact O-N 3.5Å; K559-N563 VanDerWaalsContact O-CB 3.25Å; K559-N563 WeakPolarHBondContact O-CB 3.46Å; K559-N563 PolarHBondContact O-N 3.46Å; K559-N563 VanDerWaalsContact O-N 3.14Å; K559-N563 PolarHBondContact O-ND2 2.87Å; K559-I602 HydrophobicContact CB-CD1 4.15Å; K559-I602 HydrophobicContact CD-CG1 4.26Å
560I96.2Very high93.2Very high0 Ų051.9 Ų51.90%028%0.279CS..Hα-helixtrans-60.6-54.9176.1-69.8172.5000110L551 K556 K557 F558 A564 V573 V582 F594 M598 I602 W604 M646 F648L551-I560 HydrophobicContact CD1-CD1 3.71Å; L551-I560 HydrophobicContact CD2-CD1 3.7Å; L551-I560 HydrophobicContact CG-CD1 4.37Å; K556-I560 WeakPolarHBondContact O-CG1 3.25Å; K556-I560 PolarHBondContact O-N 3.41Å; K557-I560 WeakPolarHBondContact O-CB 3.23Å; K557-I560 PolarHBondContact O-N 3.47Å; K557-I560 VanDerWaalsContact O-N 3.12Å; F558-I560 VanDerWaalsContact C-N 3.34Å; F558-I560 PolarHBondContact O-N 3.28Å; I560-A564 VanDerWaalsContact O-CB 3.26Å; I560-A564 WeakPolarHBondContact O-CB 3.45Å; I560-A564 PolarHBondContact O-N 3.19Å; I560-V573 HydrophobicContact CG2-CG2 3.89Å; I560-V582 HydrophobicContact CD1-CG2 4.29Å; I560-V582 HydrophobicContact CG2-CG1 4.23Å; I560-F594 HydrophobicContact CG2-CZ 4.16Å; I560-M598 HydrophobicContact CD1-CE 4.08Å; I560-M598 HydrophobicContact CD1-SD 4.17Å; I560-M598 HydrophobicContact CG1-CE 4.33Å; I560-M598 HydrophobicContact CG1-SD 3.75Å; I560-I602 HydrophobicContact CG1-CD1 4.46Å; I560-W604 HydrophobicContact CD1-CH2 4.12Å; I560-M646 HydrophobicContact CG2-CE 3.65Å; I560-F648 HydrophobicContact CB-CZ 4.4Å; I560-F648 HydrophobicContact CG2-CZ 4.24Å
561E95.5Very high93.5Very high94 Ų9448.5 Ų48.544%0.43926%0.261SS..Hα-helixtrans-59-55.4-176.3-161.6179.3-179.400112.3K557 F558 N563 A564 G565 F648K557-E561 PolarHBondContact O-N 3.35Å; F558-E561 PolarHBondContact O-N 3.06Å; E561-N563 PolarHBondContact O-N 3.09Å; E561-A564 PolarHBondContact O-N 3.39Å; E561-G565 PolarHBondContact O-N 3.49Å; E561-F648 HydrophobicContact CB-CE2 3.74Å; E561-F648 HydrophobicContact CB-CZ 4.32Å; E561-F648 HydrophobicContact CG-CE2 3.91Å
562A95.9Very high93.8Very high20 Ų2048.6 Ų48.617%0.16526%0.262CS..Hα-helixtrans-66.6-38.8-174.300000111.6F558 Q566F558-A562 HydrophobicContact CE1-CB 4.19Å; F558-A562 HydrophobicContact CE2-CB 4.16Å; F558-A562 HydrophobicContact CZ-CB 3.99Å; F558-A562 WeakPolarHBondContact O-CB 3.32Å; F558-A562 PolarHBondContact O-N 3.12Å; A562-Q566 WeakPolarHBondContact O-CB 3.16Å; A562-Q566 WeakPolarHBondContact O-CG 3.41Å; A562-Q566 PolarHBondContact O-N 3.41Å
563N96.3Very high94.2Very high29 Ų2944.8 Ų44.816%0.15524%0.236CC..Hα-helixtrans-73.6-33.9177.8-74.5-99.5000111.7K559 E561 L567 F594 L597K559-N563 VanDerWaalsContact O-CB 3.25Å; K559-N563 WeakPolarHBondContact O-CB 3.46Å; K559-N563 PolarHBondContact O-N 3.46Å; K559-N563 VanDerWaalsContact O-N 3.14Å; K559-N563 PolarHBondContact O-ND2 2.87Å; E561-N563 PolarHBondContact O-N 3.09Å; N563-L567 VanDerWaalsContact O-CB 3.25Å; N563-L567 WeakPolarHBondContact O-CB 3.24Å; N563-L567 VanDerWaalsContact O-CG 3.25Å; N563-L567 WeakPolarHBondContact O-CG 3.24Å; N563-L567 PolarHBondContact O-N 2.98Å; N563-L567 VanDerWaalsContact O-N 3.09Å; N563-F594 HydrophobicContact CB-CE2 4.48Å; N563-L597 HydrophobicContact CB-CD2 3.39Å; N563-L597 VanDerWaalsContact CG-CD2 3.49Å
564A95.3Very high94.5Very high0 Ų043.2 Ų43.20%023%0.227CC..Hα-helixtrans-61.6-51.8173.100000110.4I560 E561 Q566 L567 Y568 L569 F594 M646I560-A564 VanDerWaalsContact O-CB 3.26Å; I560-A564 WeakPolarHBondContact O-CB 3.45Å; I560-A564 PolarHBondContact O-N 3.19Å; E561-A564 PolarHBondContact O-N 3.39Å; A564-Q566 PolarHBondContact O-N 3.06Å; A564-L567 PolarHBondContact O-N 3.45Å; A564-Y568 PolarHBondContact O-N 3.12Å; A564-L569 HydrophobicContact CB-CB 4.29Å; A564-L569 PolarHBondContact O-N 3.24Å; A564-F594 HydrophobicContact CB-CE2 4.06Å; A564-M646 HydrophobicContact CB-CB 3.91Å; A564-M646 HydrophobicContact CB-CG 3.84Å
565G93.4Very high94.6Very high30 Ų3039.3 Ų39.331%0.30920%0.2SC..Hα-helixtrans-60.8-46177.400000113.5E561 L567 Y568E561-G565 PolarHBondContact O-N 3.49Å; G565-L567 VanDerWaalsContact C-N 3.26Å; G565-L567 PolarHBondContact O-N 2.99Å; G565-Y568 PolarHBondContact O-N 3.39Å; G565-Y568 VanDerWaalsContact O-N 3.07Å
566Q91.9Very high94.5Very high133 Ų13337.8 Ų37.862%0.62118%0.184SC*.Hα-helixtrans-64.9-27.2179.2-73.6168.815.500113.8A562 A564A562-Q566 WeakPolarHBondContact O-CB 3.16Å; A562-Q566 WeakPolarHBondContact O-CG 3.41Å; A562-Q566 PolarHBondContact O-N 3.41Å; A564-Q566 PolarHBondContact O-N 3.06Å
567L93.1Very high94Very high24 Ų2444.5 Ų44.513%0.12621%0.213CC..THydrogen-bonded Turntrans-92.64.7176.9-68.8173.6000112.9N563 A564 G565 L569 A590 K593 F594N563-L567 VanDerWaalsContact O-CB 3.25Å; N563-L567 WeakPolarHBondContact O-CB 3.24Å; N563-L567 VanDerWaalsContact O-CG 3.25Å; N563-L567 WeakPolarHBondContact O-CG 3.24Å; N563-L567 PolarHBondContact O-N 2.98Å; N563-L567 VanDerWaalsContact O-N 3.09Å; A564-L567 PolarHBondContact O-N 3.45Å; G565-L567 VanDerWaalsContact C-N 3.26Å; G565-L567 PolarHBondContact O-N 2.99Å; L567-L569 HydrophobicContact CB-CD1 3.83Å; L567-L569 HydrophobicContact CB-CG 3.86Å; L567-L569 HydrophobicContact CD1-CD1 4.01Å; L567-L569 PolarHBondContact O-N 3.16Å; L567-A590 HydrophobicContact CB-CB 4.2Å; L567-K593 HydrophobicContact CD1-CB 3.95Å; L567-K593 HydrophobicContact CD2-CD 3.72Å; L567-F594 HydrophobicContact CD1-CB 4.5Å
568Y92Very high93.4Very high96 Ų9647.3 Ų47.338%0.37623%0.231SC..THydrogen-bonded Turntrans56.129.9-174.4-64.5-81.1000113.4I530 L533 A564 G565 R641I530-Y568 HydrophobicContact CB-CE2 4.37Å; I530-Y568 VanDerWaalsContact CD1-OH 3.31Å; I530-Y568 WeakPolarHBondContact CD1-OH 3.32Å; I530-Y568 HydrophobicContact CG1-CE2 4.03Å; I530-Y568 VanDerWaalsContact CG1-OH 3.26Å; I530-Y568 WeakPolarHBondContact CG1-OH 3.42Å; I530-Y568 HydrophobicContact CG2-CE2 4.07Å; L533-Y568 HydrophobicContact CB-CD2 3.93Å; L533-Y568 HydrophobicContact CD1-CD2 4.02Å; L533-Y568 HydrophobicContact CD1-CE2 4.23Å; A564-Y568 PolarHBondContact O-N 3.12Å; G565-Y568 PolarHBondContact O-N 3.39Å; G565-Y568 VanDerWaalsContact O-N 3.07Å; Y568-R641 PolarHBondContact O-NH2 2.95Å
569L94Very high93.1Very high4 Ų441 Ų412%0.02120%0.204CC..  trans-82140.6172-61.8169.1000109A564 L567 V584 E585 A590 F594A564-L569 HydrophobicContact CB-CB 4.29Å; A564-L569 PolarHBondContact O-N 3.24Å; L567-L569 HydrophobicContact CB-CD1 3.83Å; L567-L569 HydrophobicContact CB-CG 3.86Å; L567-L569 HydrophobicContact CD1-CD1 4.01Å; L567-L569 PolarHBondContact O-N 3.16Å; L569-V584 HydrophobicContact CB-CG1 3.68Å; L569-V584 HydrophobicContact CD1-CG1 3.71Å; L569-V584 HydrophobicContact CD2-CG1 4.17Å; L569-V584 HydrophobicContact CG-CG1 4.04Å; L569-E585 WeakPolarHBondContact CA-O 3.46Å; L569-A590 HydrophobicContact CD1-CB 4.33Å; L569-A590 HydrophobicContact CD2-CB 3.54Å; L569-A590 HydrophobicContact CG-CB 4.01Å; L569-F594 HydrophobicContact CD1-CB 3.61Å; L569-F594 HydrophobicContact CD1-CD2 3.66Å; L569-F594 HydrophobicContact CD1-CG 3.79Å
570T94.4Very high93Very high15 Ų1537.1 Ų37.19%0.09219%0.187CC..EExtended strand (participates in β ladder)trans-104.916817448.70000108.9V584 E585 R641 F643 G644T570-V584 CarbonylContact O-C 3.6Å; T570-V584 WeakPolarHBondContact O-CA 3.21Å; T570-E585 PolarHBondContact N-O 3.24Å; T570-E585 PolarHBondContact O-N 2.89Å; T570-E585 WeakPolarHBondContact OG1-CB 3.44Å; T570-E585 PolarHBondContact OG1-O 3.09Å; T570-R641 VanDerWaalsContact N-NH2 3.17Å; T570-R641 PolarHBondContact OG1-NE 3.45Å; T570-R641 PolarHBondContact OG1-NH2 3.45Å; T570-F643 WeakPolarHBondContact CB-O 3.32Å; T570-G644 WeakPolarHBondContact CA-O 3.46Å; T570-G644 WeakPolarHBondContact CB-O 3.34Å; T570-G644 WeakPolarHBondContact CG2-O 3.48Å
571G95.4Very high93Very high2 Ų237.1 Ų37.12%0.02119%0.187CC..EExtended strand (participates in β ladder)trans150.5-165.8177.700000114.4V583 G644 M646G571-V583 CarbonylContact C-O 3.6Å; G571-V583 WeakPolarHBondContact CA-O 3.47Å; G571-G644 PolarHBondContact N-O 3.21Å; G571-M646 WeakPolarHBondContact O-CA 3.09Å
572V96.3Very high93Very high3 Ų332.6 Ų32.62%0.01817%0.167CC..EExtended strand (participates in β ladder)trans-145.5146.1178.765.60000110.5V574 V583 F643 M646 K647 F661V572-V574 HydrophobicContact CG1-CG2 4.49Å; V572-V574 HydrophobicContact CG2-CG2 4.02Å; V572-V583 HydrophobicContact CG1-CB 4.27Å; V572-V583 PolarHBondContact N-O 3.09Å; V572-V583 PolarHBondContact O-N 3.44Å; V572-F643 HydrophobicContact CB-CD1 3.96Å; V572-F643 HydrophobicContact CB-CE1 4.01Å; V572-F643 HydrophobicContact CG1-CD1 3.85Å; V572-F643 HydrophobicContact CG1-CE1 3.44Å; V572-F643 VanDerWaalsContact CG1-CE1 3.44Å; V572-F643 HydrophobicContact CG1-CE2 4.3Å; V572-F643 HydrophobicContact CG1-CG 4.43Å; V572-F643 HydrophobicContact CG1-CZ 3.7Å; V572-M646 PolarHBondContact N-SD 3.06Å; V572-K647 WeakPolarHBondContact CG2-O 3.4Å; V572-F661 HydrophobicContact CG1-CE1 3.62Å; V572-F661 HydrophobicContact CG1-CZ 3.76Å
573V96.6Very high93.1Very high0 Ų031.7 Ų31.70%016%0.159CC..EExtended strand (participates in β ladder)trans-111.6111.9165.5-175.80000108.7L551 I560 L575 V581 V582 M646 K647 F648 K649L551-V573 HydrophobicContact CD2-CG1 3.61Å; I560-V573 HydrophobicContact CG2-CG2 3.89Å; V573-L575 HydrophobicContact CG1-CD2 3.93Å; V573-L575 HydrophobicContact CG1-CG 4.47Å; V573-V581 CarbonylContact C-O 3.58Å; V573-V581 WeakPolarHBondContact CA-O 3.38Å; V573-V582 HydrophobicContact CG1-CG2 3.93Å; V573-V582 HydrophobicContact CG2-CG1 4.19Å; V573-V582 HydrophobicContact CG2-CG2 4.15Å; V573-M646 HydrophobicContact CG2-CE 3.32Å; V573-M646 HydrophobicContact CG2-SD 4.15Å; V573-K647 PolarHBondContact N-O 3.17Å; V573-F648 HydrophobicContact CB-CD1 3.6Å; V573-F648 HydrophobicContact CB-CE1 3.69Å; V573-F648 HydrophobicContact CB-CG 4.17Å; V573-F648 HydrophobicContact CB-CZ 4.29Å; V573-F648 HydrophobicContact CG1-CD1 3.66Å; V573-F648 HydrophobicContact CG1-CE1 3.62Å; V573-F648 HydrophobicContact CG2-CD1 4.13Å; V573-F648 HydrophobicContact CG2-CE1 3.75Å; V573-F648 HydrophobicContact CG2-CE2 4.4Å; V573-F648 HydrophobicContact CG2-CZ 3.89Å; V573-F648 CarbonylContact O-C 3.43Å; V573-F648 WeakPolarHBondContact O-CA 3.46Å; V573-K649 PolarHBondContact O-N 2.72Å
574V95.3Very high93.1Very high0 Ų030.3 Ų30.30%015%0.151CC..EExtended strand (participates in β ladder)trans-95.2122.1171.7178.90000109.2V572 N580 V581 K649 C651 A657 F661 W670V572-V574 HydrophobicContact CG1-CG2 4.49Å; V572-V574 HydrophobicContact CG2-CG2 4.02Å; V574-N580 CarbonylContact O-C 3.55Å; V574-N580 WeakPolarHBondContact O-CA 3.47Å; V574-V581 PolarHBondContact N-O 3.17Å; V574-V581 PolarHBondContact O-N 2.84Å; V574-K649 WeakPolarHBondContact CA-O 3.37Å; V574-C651 HydrophobicContact CG1-CB 4.04Å; V574-A657 HydrophobicContact CG1-CB 3.76Å; V574-F661 HydrophobicContact CB-CE2 3.87Å; V574-F661 HydrophobicContact CB-CZ 4.37Å; V574-F661 HydrophobicContact CG1-CE2 4.5Å; V574-F661 HydrophobicContact CG2-CD2 4.15Å; V574-F661 HydrophobicContact CG2-CE2 3.32Å; V574-F661 HydrophobicContact CG2-CZ 3.74Å; V574-W670 HydrophobicContact CG1-CZ3 4.08Å
575L94Very high93.1Very high21 Ų2130.3 Ų30.311%0.1115%0.151CC..EExtended strand (participates in β ladder)trans-96.2116.6176.9-57.9175.5000109.1L551 V573 N580 F648 K649 C651L551-L575 HydrophobicContact CB-CD2 3.98Å; L551-L575 HydrophobicContact CD2-CD2 3.92Å; L551-L575 HydrophobicContact CG-CD2 4.14Å; V573-L575 HydrophobicContact CG1-CD2 3.93Å; V573-L575 HydrophobicContact CG1-CG 4.47Å; L575-N580 VanDerWaalsContact CA-OD1 3.32Å; L575-N580 WeakPolarHBondContact CA-OD1 3.35Å; L575-N580 HydrophobicContact CD2-CB 4.27Å; L575-N580 WeakPolarHBondContact CD2-OD1 3.42Å; L575-F648 HydrophobicContact CD1-CD1 4.37Å; L575-K649 PolarHBondContact N-O 2.67Å; L575-C651 PolarHBondContact O-N 2.94Å
576H89.8Confident93.1Very high20 Ų2028.9 Ų28.99%0.09314%0.137CC..  trans-136161.2174.7178.4-88.7000109.6D578 V579 N580 C651 E654 W670H576-D578 PolarHBondContact O-N 2.9Å; H576-V579 CarbonylContact C-O 3.55Å; H576-V579 HydrophobicContact CB-CG1 4.43Å; H576-V579 VanDerWaalsContact CB-O 3.3Å; H576-V579 WeakPolarHBondContact CB-O 3.4Å; H576-V579 PolarHBondContact N-O 3.34Å; H576-V579 WeakPolarHBondContact ND1-CG1 3.17Å; H576-N580 PolarHBondContact N-OD1 3.11Å; H576-N580 PolarHBondContact O-OD1 3.14Å; H576-C651 PolarHBondContact CD2-O 2.99Å; H576-E654 VanDerWaalsContact CE1-CG 3.47Å; H576-E654 WeakPolarHBondContact CE1-CG 3.35Å; H576-E654 IonicContact CE1-OE1 3.81Å; H576-E654 VanDerWaalsContact NE2-CG 3.35Å; H576-E654 WeakPolarHBondContact NE2-CG 3.36Å; H576-W670 HydrophobicContact CB-CH2 3.75Å; H576-W670 HydrophobicContact CB-CZ3 4.44Å; H576-W670 AromaticContact CG-CH2 3.94Å
577K83.4Confident93Very high153 Ų15322.7 Ų22.767%0.66511%0.108SC*.SBendtrans-61.7125-179.6-64.1-179.6-179.2178.70109.4V579K577-V579 PolarHBondContact O-N 3.23Å
578D81.2Confident93Very high119 Ų11924.2 Ų24.264%0.63612%0.12SC*.SBendtrans60.8-6.2178-52.9-42.5000117.5R549 H576R549-D578 WeakPolarHBondContact CA-O 3.42Å; R549-D578 CarbonylContact O-C 3.57Å; H576-D578 PolarHBondContact O-N 2.9Å
579V89.3Confident92.9Very high4 Ų424.9 Ų24.92%0.02413%0.125CC..  trans-139.5105.4174.456.90000109.7H576 K577 V581 W670 L674H576-V579 CarbonylContact C-O 3.55Å; H576-V579 HydrophobicContact CB-CG1 4.43Å; H576-V579 VanDerWaalsContact CB-O 3.3Å; H576-V579 WeakPolarHBondContact CB-O 3.4Å; H576-V579 PolarHBondContact N-O 3.34Å; H576-V579 WeakPolarHBondContact ND1-CG1 3.17Å; K577-V579 PolarHBondContact O-N 3.23Å; V579-V581 HydrophobicContact CG2-CG2 4.05Å; V579-W670 HydrophobicContact CG1-CH2 4.17Å; V579-L674 HydrophobicContact CG1-CD1 4Å
580N93.6Very high92.9Very high12 Ų1224.8 Ų24.86%0.06413%0.125CC..EExtended strand (participates in β ladder)trans-104.4125.6171.1-52.4-84.5000108R547 V548 R549 L551 V574 L575 H576R547-N580 CarbonylContact C-O 3.58Å; R547-N580 WeakPolarHBondContact CA-O 3.4Å; V548-N580 HydrophobicContact CB-CB 4.44Å; V548-N580 PolarHBondContact N-O 3.03Å; V548-N580 WeakPolarHBondContact O-CA 3.48Å; V548-N580 VanDerWaalsContact O-CB 3.27Å; V548-N580 WeakPolarHBondContact O-CB 3.19Å; V548-N580 PolarHBondContact O-N 2.97Å; V548-N580 PolarHBondContact O-ND2 3.33Å; R549-N580 PolarHBondContact O-ND2 2.98Å; L551-N580 HydrophobicContact CB-CB 4.06Å; L551-N580 PolarHBondContact N-ND2 3.42Å; V574-N580 CarbonylContact O-C 3.55Å; V574-N580 WeakPolarHBondContact O-CA 3.47Å; L575-N580 VanDerWaalsContact CA-OD1 3.32Å; L575-N580 WeakPolarHBondContact CA-OD1 3.35Å; L575-N580 HydrophobicContact CD2-CB 4.27Å; L575-N580 WeakPolarHBondContact CD2-OD1 3.42Å; H576-N580 PolarHBondContact N-OD1 3.11Å; H576-N580 PolarHBondContact O-OD1 3.14Å
581V95.7Very high92.9Very high0 Ų024.2 Ų24.20%012%0.121CC..EExtended strand (participates in β ladder)trans-105.5126-177.8-177.50000108.9V545 Y546 V573 V574 V579 V583 F661 W670 A673V545-V581 HydrophobicContact CG1-CG1 3.88Å; Y546-V581 WeakPolarHBondContact O-CA 3.32Å; V573-V581 CarbonylContact C-O 3.58Å; V573-V581 WeakPolarHBondContact CA-O 3.38Å; V574-V581 PolarHBondContact N-O 3.17Å; V574-V581 PolarHBondContact O-N 2.84Å; V579-V581 HydrophobicContact CG2-CG2 4.05Å; V581-V583 HydrophobicContact CG1-CG2 3.94Å; V581-F661 HydrophobicContact CB-CZ 4.48Å; V581-F661 HydrophobicContact CG1-CZ 4.14Å; V581-W670 HydrophobicContact CB-CE3 4.16Å; V581-W670 HydrophobicContact CB-CZ3 4.26Å; V581-W670 HydrophobicContact CG2-CE3 3.6Å; V581-W670 HydrophobicContact CG2-CZ3 3.58Å; V581-A673 HydrophobicContact CG1-CB 4.21Å; V581-A673 HydrophobicContact CG2-CB 3.63Å
582V96.9Very high92.9Very high0 Ų032 Ų320%015%0.154CC..EExtended strand (participates in β ladder)trans-115.5103.9179.11780000106.8Y546 L551 I560 V573 V584 F594 M598 M646Y546-V582 HydrophobicContact CD2-CG1 4.41Å; Y546-V582 PolarHBondContact N-O 3.16Å; Y546-V582 PolarHBondContact O-N 2.86Å; L551-V582 HydrophobicContact CD2-CG2 4.22Å; I560-V582 HydrophobicContact CD1-CG2 4.29Å; I560-V582 HydrophobicContact CG2-CG1 4.23Å; V573-V582 HydrophobicContact CG1-CG2 3.93Å; V573-V582 HydrophobicContact CG2-CG1 4.19Å; V573-V582 HydrophobicContact CG2-CG2 4.15Å; V582-V584 HydrophobicContact CG1-CG2 3.86Å; V582-F594 HydrophobicContact CG1-CE1 4.48Å; V582-M598 HydrophobicContact CB-CE 4.44Å; V582-M598 HydrophobicContact CG1-CE 4.26Å; V582-M598 HydrophobicContact CG2-CE 4.31Å; V582-M646 HydrophobicContact CG1-CE 3.75Å
583V97.1Very high92.8Very high0 Ų036.9 Ų36.90%018%0.175CC..EExtended strand (participates in β ladder)trans-98.2130.8174.3-177.70000108.6I543 V545 G571 V572 V581 E585 F643 F661 Y669I543-V583 HydrophobicContact CG2-CG1 4.08Å; V545-V583 HydrophobicContact CG1-CG2 4.23Å; V545-V583 HydrophobicContact CG2-CG1 4.32Å; V545-V583 HydrophobicContact CG2-CG2 4.09Å; G571-V583 CarbonylContact C-O 3.6Å; G571-V583 WeakPolarHBondContact CA-O 3.47Å; V572-V583 HydrophobicContact CG1-CB 4.27Å; V572-V583 PolarHBondContact N-O 3.09Å; V572-V583 PolarHBondContact O-N 3.44Å; V581-V583 HydrophobicContact CG1-CG2 3.94Å; V583-E585 HydrophobicContact CG1-CG 4.44Å; V583-F643 HydrophobicContact CB-CE2 4.42Å; V583-F643 HydrophobicContact CG1-CD2 4.27Å; V583-F643 HydrophobicContact CG1-CE2 3.9Å; V583-F661 HydrophobicContact CB-CE1 4.4Å; V583-F661 HydrophobicContact CG2-CE1 3.55Å; V583-F661 HydrophobicContact CG2-CZ 3.89Å; V583-Y669 HydrophobicContact CG1-CD2 4.09Å; V583-Y669 HydrophobicContact CG1-CE2 4.39Å; V583-Y669 HydrophobicContact CG2-CD2 4.37Å
584V96.8Very high92.8Very high0 Ų036.9 Ų36.90%018%0.175CC..EExtended strand (participates in β ladder)trans-133.6131.5-177.6-173.80000109.5I543 S544 L569 T570 V582 Q591 F594 M646I543-V584 CarbonylContact C-O 3.59Å; I543-V584 VanDerWaalsContact CA-O 3.31Å; I543-V584 WeakPolarHBondContact CA-O 3.35Å; S544-V584 PolarHBondContact N-O 2.9Å; S544-V584 PolarHBondContact O-N 3.04Å; L569-V584 HydrophobicContact CB-CG1 3.68Å; L569-V584 HydrophobicContact CD1-CG1 3.71Å; L569-V584 HydrophobicContact CD2-CG1 4.17Å; L569-V584 HydrophobicContact CG-CG1 4.04Å; T570-V584 CarbonylContact O-C 3.6Å; T570-V584 WeakPolarHBondContact O-CA 3.21Å; V582-V584 HydrophobicContact CG1-CG2 3.86Å; V584-Q591 VanDerWaalsContact C-NE2 3.33Å; V584-Q591 PolarHBondContact O-NE2 3.09Å; V584-F594 HydrophobicContact CB-CD1 4.4Å; V584-F594 HydrophobicContact CB-CE1 4.36Å; V584-F594 HydrophobicContact CG1-CD1 4.2Å; V584-F594 HydrophobicContact CG1-CE1 4.41Å; V584-F594 HydrophobicContact CG1-CG 4.33Å; V584-F594 HydrophobicContact CG2-CD1 3.99Å; V584-F594 HydrophobicContact CG2-CE1 3.49Å; V584-F594 VanDerWaalsContact CG2-CE1 3.49Å; V584-F594 HydrophobicContact CG2-CZ 3.87Å; V584-M646 HydrophobicContact CG2-CE 3.92Å
585E94.5Very high92.9Very high0 Ų039.9 Ų39.90%019%0.188CC..EExtended strand (participates in β ladder)trans-128.5133.8-176.6-46.2180144.600110.6V541 H542 I543 L569 T570 V583 R641 S642 F643V541-E585 HydrophobicContact CG2-CB 3.74Å; H542-E585 CarbonylContact O-C 3.57Å; H542-E585 WeakPolarHBondContact O-CA 3.44Å; I543-E585 HydrophobicContact CD1-CG 4.15Å; I543-E585 HydrophobicContact CG1-CB 4.23Å; I543-E585 HydrophobicContact CG1-CG 3.93Å; I543-E585 HydrophobicContact CG2-CG 4.27Å; L569-E585 WeakPolarHBondContact CA-O 3.46Å; T570-E585 PolarHBondContact N-O 3.24Å; T570-E585 PolarHBondContact O-N 2.89Å; T570-E585 WeakPolarHBondContact OG1-CB 3.44Å; T570-E585 PolarHBondContact OG1-O 3.09Å; V583-E585 HydrophobicContact CG1-CG 4.44Å; E585-R641 PolarHBondContact O-NH2 2.94Å; E585-S642 WeakPolarHBondContact OE1-CB 3.27Å; E585-S642 PolarHBondContact OE1-N 3.47Å; E585-S642 PolarHBondContact OE2-N 2.98Å; E585-S642 VanDerWaalsContact OE2-N 3.09Å; E585-F643 HydrophobicContact CG-CD2 4.3Å; E585-F643 WeakPolarHBondContact OE1-CD2 3.43Å; E585-F643 PolarHBondContact OE2-N 3.24Å
586G93.3Very high93.1Very high0 Ų045.6 Ų45.60%021%0.208CC..EExtended strand (participates in β ladder)trans166.7-158.6173.300000113V541 H542V541-G586 VanDerWaalsContact CG2-N 3.25Å; H542-G586 WeakPolarHBondContact CA-O 3.43Å; H542-G586 WeakPolarHBondContact CB-O 3.44Å; H542-G586 PolarHBondContact N-O 3.18Å; H542-G586 PolarHBondContact O-N 3.37Å; H542-G586 VanDerWaalsContact O-O 3.08Å
587G91.5Very high93.4Very high3 Ų344.9 Ų44.93%0.03121%0.205CC..  trans-72.5153.4-175.600000113.4D536 K589 A590 Q591D536-G587 WeakPolarHBondContact O-CA 3.39Å; G587-K589 VanDerWaalsContact C-N 3.31Å; G587-K589 PolarHBondContact O-N 2.86Å; G587-A590 WeakPolarHBondContact O-CB 3.43Å; G587-A590 PolarHBondContact O-N 3.18Å; G587-Q591 PolarHBondContact O-N 3.05Å
588P91.5Very high94Very high56 Ų5637.6 Ų37.636%0.36417%0.173SC..Hα-helixtrans-62.6-34.8-173.522.4-31.4000113.1D536 A590 Q591 K592D536-P588 VanDerWaalsContact O-CD 3.31Å; D536-P588 WeakPolarHBondContact O-CD 3.37Å; P588-A590 VanDerWaalsContact C-N 3.33Å; P588-A590 PolarHBondContact O-N 3.36Å; P588-Q591 PolarHBondContact O-N 3.12Å; P588-K592 PolarHBondContact O-N 2.83Å
589K91.2Very high94.7Very high111 Ų11134.6 Ų34.648%0.48316%0.157SC..Hα-helixtrans-68.2-34.7176.8-55.9-170.3-168.8105.90112.2D536 G587 K593D536-K589 IonicContact OD1-NZ 3.19Å; D536-K589 PolarHBondContact OD1-NZ 3.23Å; D536-K589 WeakPolarHBondContact OD2-CB 3.36Å; D536-K589 WeakPolarHBondContact OD2-CD 3.3Å; D536-K589 WeakPolarHBondContact OD2-CG 3.4Å; D536-K589 IonicContact OD2-NZ 3.01Å; D536-K589 PolarHBondContact OD2-NZ 3.35Å; G587-K589 VanDerWaalsContact C-N 3.31Å; G587-K589 PolarHBondContact O-N 2.86Å; K589-K593 WeakPolarHBondContact O-CG 3.44Å; K589-K593 PolarHBondContact O-N 3.49Å
590A93.2Very high94.9Very high2 Ų239 Ų392%0.01718%0.177CC..Hα-helixtrans-72.6-43.8176.100000110.3L567 L569 G587 P588 K592 K593 F594L567-A590 HydrophobicContact CB-CB 4.2Å; L569-A590 HydrophobicContact CD1-CB 4.33Å; L569-A590 HydrophobicContact CD2-CB 3.54Å; L569-A590 HydrophobicContact CG-CB 4.01Å; G587-A590 WeakPolarHBondContact O-CB 3.43Å; G587-A590 PolarHBondContact O-N 3.18Å; P588-A590 VanDerWaalsContact C-N 3.33Å; P588-A590 PolarHBondContact O-N 3.36Å; A590-K592 PolarHBondContact O-N 3.03Å; A590-K593 WeakPolarHBondContact O-CB 3.4Å; A590-K593 PolarHBondContact O-N 3.29Å; A590-K593 VanDerWaalsContact O-N 3.14Å; A590-F594 PolarHBondContact O-N 3Å
591Q94.3Very high95Very high3 Ų345.3 Ų45.31%0.01420%0.2CC..Hα-helixtrans-56.9-46.6174.6-72.8-66.26.600112.4H542 S544 V584 G587 P588 K593 F594 K595H542-Q591 HydrophobicContact CB-CG 3.84Å; H542-Q591 PolarHBondContact O-NE2 3.29Å; S544-Q591 PolarHBondContact OG-OE1 3.26Å; V584-Q591 VanDerWaalsContact C-NE2 3.33Å; V584-Q591 PolarHBondContact O-NE2 3.09Å; G587-Q591 PolarHBondContact O-N 3.05Å; P588-Q591 PolarHBondContact O-N 3.12Å; Q591-K593 VanDerWaalsContact C-N 3.27Å; Q591-K593 PolarHBondContact O-N 3.38Å; Q591-F594 CarbonylContact O-C 3.58Å; Q591-F594 PolarHBondContact O-N 3.36Å; Q591-K595 WeakPolarHBondContact O-CB 3.4Å; Q591-K595 PolarHBondContact O-N 3.34Å
592K94.8Very high94.9Very high164 Ų16445.6 Ų45.671%0.71320%0.201SC*.Hα-helixtrans-58.7-37177.5-168.8167.3-173.4167.20113.1P588 A590 R596P588-K592 PolarHBondContact O-N 2.83Å; A590-K592 PolarHBondContact O-N 3.03Å; K592-R596 PolarHBondContact O-N 2.94Å
593K95.4Very high94.7Very high107 Ų10750.5 Ų50.547%0.46522%0.223SC..Hα-helixtrans-70.3-39.5175.2-68.6171.7-173.2168.70111.6L567 K589 A590 Q591 R596 L597L567-K593 HydrophobicContact CD1-CB 3.95Å; L567-K593 HydrophobicContact CD2-CD 3.72Å; K589-K593 WeakPolarHBondContact O-CG 3.44Å; K589-K593 PolarHBondContact O-N 3.49Å; A590-K593 WeakPolarHBondContact O-CB 3.4Å; A590-K593 PolarHBondContact O-N 3.29Å; A590-K593 VanDerWaalsContact O-N 3.14Å; Q591-K593 VanDerWaalsContact C-N 3.27Å; Q591-K593 PolarHBondContact O-N 3.38Å; K593-R596 PolarHBondContact O-N 2.67Å; K593-L597 PolarHBondContact O-N 3.09Å
594F96.8Very high94.4Very high0 Ų051.1 Ų51.10%023%0.225CC..Hα-helixtrans-70.9-42.4179.6-163.3-88.7000112Y546 I560 N563 A564 L567 L569 V582 V584 A590 Q591 R596 L597 M598Y546-F594 HydrophobicContact CD2-CE1 4.38Å; Y546-F594 AromaticContact CE2-CD1 3.89Å; Y546-F594 HydrophobicContact CE2-CD1 3.89Å; Y546-F594 HydrophobicContact CE2-CE1 4Å; I560-F594 HydrophobicContact CG2-CZ 4.16Å; N563-F594 HydrophobicContact CB-CE2 4.48Å; A564-F594 HydrophobicContact CB-CE2 4.06Å; L567-F594 HydrophobicContact CD1-CB 4.5Å; L569-F594 HydrophobicContact CD1-CB 3.61Å; L569-F594 HydrophobicContact CD1-CD2 3.66Å; L569-F594 HydrophobicContact CD1-CG 3.79Å; V582-F594 HydrophobicContact CG1-CE1 4.48Å; V584-F594 HydrophobicContact CB-CD1 4.4Å; V584-F594 HydrophobicContact CB-CE1 4.36Å; V584-F594 HydrophobicContact CG1-CD1 4.2Å; V584-F594 HydrophobicContact CG1-CE1 4.41Å; V584-F594 HydrophobicContact CG1-CG 4.33Å; V584-F594 HydrophobicContact CG2-CD1 3.99Å; V584-F594 HydrophobicContact CG2-CE1 3.49Å; V584-F594 VanDerWaalsContact CG2-CE1 3.49Å; V584-F594 HydrophobicContact CG2-CZ 3.87Å; A590-F594 PolarHBondContact O-N 3Å; Q591-F594 CarbonylContact O-C 3.58Å; Q591-F594 PolarHBondContact O-N 3.36Å; F594-R596 VanDerWaalsContact C-N 3.31Å; F594-R596 PolarHBondContact O-N 2.63Å; F594-L597 HydrophobicContact CD2-CD2 4.23Å; F594-L597 HydrophobicContact CE2-CD2 4.13Å; F594-L597 CarbonylContact O-C 3.54Å; F594-L597 WeakPolarHBondContact O-CA 3.47Å; F594-L597 VanDerWaalsContact O-CB 3.25Å; F594-L597 WeakPolarHBondContact O-CB 3.37Å; F594-L597 PolarHBondContact O-N 3.5Å; F594-M598 HydrophobicContact CD1-CG 3.66Å; F594-M598 HydrophobicContact CE1-CG 3.26Å; F594-M598 HydrophobicContact CE1-SD 3.74Å; F594-M598 HydrophobicContact CZ-CG 3.99Å; F594-M598 HydrophobicContact CZ-SD 3.92Å; F594-M598 WeakPolarHBondContact O-CG 3.4Å; F594-M598 PolarHBondContact O-N 3.24Å
595K97Very high93.7Very high63 Ų6355.8 Ų55.827%0.27425%0.25SS..Hα-helixtrans-55.2-45.3170-175171.2178.1167.90111.8Y546 Q591 L597 M598 L599 L632 E635Y546-K595 WeakPolarHBondContact OH-CA 3.46Å; Y546-K595 VanDerWaalsContact OH-CB 3.32Å; Y546-K595 WeakPolarHBondContact OH-CB 3.34Å; Q591-K595 WeakPolarHBondContact O-CB 3.4Å; Q591-K595 PolarHBondContact O-N 3.34Å; K595-L597 VanDerWaalsContact C-N 3.29Å; K595-L597 PolarHBondContact O-N 2.95Å; K595-M598 PolarHBondContact O-N 3.5Å; K595-L599 HydrophobicContact CG-CD1 3.76Å; K595-L599 HydrophobicContact CG-CG 4.45Å; K595-L599 WeakPolarHBondContact O-CB 3.26Å; K595-L599 PolarHBondContact O-N 2.85Å; K595-L632 HydrophobicContact CD-CD2 4.28Å; K595-E635 IonicContact NZ-OE1 2.63Å; K595-E635 IonicContact NZ-OE2 3.38Å; K595-E635 PolarHBondContact NZ-OE2 3.26Å
596R97.3Very high92.6Very high141 Ų14162.1 Ų62.153%0.53228%0.279SS..Hα-helixtrans-63.8-34.5174.7-171.562.4179.2-175.1-0.3112.4K592 K593 F594 H600 R601K592-R596 PolarHBondContact O-N 2.94Å; K593-R596 PolarHBondContact O-N 2.67Å; F594-R596 VanDerWaalsContact C-N 3.31Å; F594-R596 PolarHBondContact O-N 2.63Å; R596-H600 VanDerWaalsContact CD-CD2 3.49Å; R596-H600 WeakPolarHBondContact CD-CD2 3.46Å; R596-H600 PolarHBondContact NH1-CD2 2.81Å; R596-H600 VanDerWaalsContact NH1-CG 3.29Å; R596-H600 PolarHBondContact NH1-NE2 2.94Å; R596-H600 PolarHBondContact O-N 3.47Å; R596-R601 PolarHBondContact O-N 3.05Å
597L97Very high91Very high4 Ų465 Ų652%0.02129%0.293CS..Iπ-helixtrans-63.7-55.5173.6174.572.6000111N563 K593 F594 K595 R601 I602N563-L597 HydrophobicContact CB-CD2 3.39Å; N563-L597 VanDerWaalsContact CG-CD2 3.49Å; K593-L597 PolarHBondContact O-N 3.09Å; F594-L597 HydrophobicContact CD2-CD2 4.23Å; F594-L597 HydrophobicContact CE2-CD2 4.13Å; F594-L597 CarbonylContact O-C 3.54Å; F594-L597 WeakPolarHBondContact O-CA 3.47Å; F594-L597 VanDerWaalsContact O-CB 3.25Å; F594-L597 WeakPolarHBondContact O-CB 3.37Å; F594-L597 PolarHBondContact O-N 3.5Å; K595-L597 VanDerWaalsContact C-N 3.29Å; K595-L597 PolarHBondContact O-N 2.95Å; L597-R601 HydrophobicContact CD1-CB 4.2Å; L597-R601 PolarHBondContact O-N 2.95Å; L597-I602 HydrophobicContact CD1-CD1 4.16Å; L597-I602 HydrophobicContact CD1-CG1 3.98Å; L597-I602 HydrophobicContact CG-CD1 3.98Å; L597-I602 HydrophobicContact CG-CG1 4.22Å; L597-I602 PolarHBondContact O-N 3.22Å
598M95.9Very high89.1Confident0 Ų071.4 Ų71.40%033%0.332CS..Iπ-helixtrans-64.9-46.7-174.6-67.9-61.9-7200112.4Y546 V548 I560 V582 F594 K595 I602 W604Y546-M598 HydrophobicContact CD1-CB 4.11Å; Y546-M598 HydrophobicContact CD1-CG 4.45Å; Y546-M598 HydrophobicContact CD2-CG 4.35Å; Y546-M598 HydrophobicContact CE1-CB 3.99Å; Y546-M598 HydrophobicContact CE1-CG 4.36Å; Y546-M598 HydrophobicContact CE2-CG 4.28Å; Y546-M598 HydrophobicContact CG-CE 4.29Å; Y546-M598 HydrophobicContact CG-CG 4.45Å; V548-M598 HydrophobicContact CG2-CE 4.24Å; I560-M598 HydrophobicContact CD1-CE 4.08Å; I560-M598 HydrophobicContact CD1-SD 4.17Å; I560-M598 HydrophobicContact CG1-CE 4.33Å; I560-M598 HydrophobicContact CG1-SD 3.75Å; V582-M598 HydrophobicContact CB-CE 4.44Å; V582-M598 HydrophobicContact CG1-CE 4.26Å; V582-M598 HydrophobicContact CG2-CE 4.31Å; F594-M598 HydrophobicContact CD1-CG 3.66Å; F594-M598 HydrophobicContact CE1-CG 3.26Å; F594-M598 HydrophobicContact CE1-SD 3.74Å; F594-M598 HydrophobicContact CZ-CG 3.99Å; F594-M598 HydrophobicContact CZ-SD 3.92Å; F594-M598 WeakPolarHBondContact O-CG 3.4Å; F594-M598 PolarHBondContact O-N 3.24Å; K595-M598 PolarHBondContact O-N 3.5Å; M598-I602 HydrophobicContact SD-CD1 4.24Å; M598-W604 HydrophobicContact CE-CH2 4.2Å; M598-W604 HydrophobicContact CE-CZ2 3.79Å; M598-W604 PolarHBondContact O-NE1 3.47Å; M598-W604 HydrophobicContact SD-CZ2 4.12Å
599L95.2Very high87.1Confident56 Ų5673.3 Ų73.329%0.29335%0.347SS..Iπ-helixtrans-88.6-24.4-171-60.7178.1000114.3Y546 K595 L632Y546-L599 HydrophobicContact CD1-CD2 4.43Å; Y546-L599 HydrophobicContact CE1-CD2 4.49Å; Y546-L599 HydrophobicContact CE1-CG 4.4Å; K595-L599 HydrophobicContact CG-CD1 3.76Å; K595-L599 HydrophobicContact CG-CG 4.45Å; K595-L599 WeakPolarHBondContact O-CB 3.26Å; K595-L599 PolarHBondContact O-N 2.85Å; L599-L632 HydrophobicContact CD1-CB 4.4Å
600H94.8Very high84.9Confident96 Ų9675.1 Ų75.144%0.44436%0.361SS..Iπ-helixtrans-125.9-37.5-170.8-62.5-77.2000115.3R596 K603R596-H600 VanDerWaalsContact CD-CD2 3.49Å; R596-H600 WeakPolarHBondContact CD-CD2 3.46Å; R596-H600 PolarHBondContact NH1-CD2 2.81Å; R596-H600 VanDerWaalsContact NH1-CG 3.29Å; R596-H600 PolarHBondContact NH1-NE2 2.94Å; R596-H600 PolarHBondContact O-N 3.47Å; H600-K603 PolarHBondContact O-NZ 3.37Å
601R95.2Very high82.5Confident146 Ų14680.6 Ų80.655%0.55140%0.395SS*.Iπ-helixtrans-86.9-35.3-174.7-66.117056.6-153.1-0.9112.6R596 L597R596-R601 PolarHBondContact O-N 3.05Å; L597-R601 HydrophobicContact CD1-CB 4.2Å; L597-R601 PolarHBondContact O-N 2.95Å
602I94.4Very high79.9Confident5 Ų589.3 Ų89.33%0.02643%0.433CS..SBendtrans-83124.6171.6-60.4175.2000107.7K556 K559 I560 L597 M598 W604K556-I602 HydrophobicContact CB-CG2 4.48Å; K556-I602 HydrophobicContact CD-CG2 3.99Å; K556-I602 HydrophobicContact CG-CG2 3.96Å; K559-I602 HydrophobicContact CB-CD1 4.15Å; K559-I602 HydrophobicContact CD-CG1 4.26Å; I560-I602 HydrophobicContact CG1-CD1 4.46Å; L597-I602 HydrophobicContact CD1-CD1 4.16Å; L597-I602 HydrophobicContact CD1-CG1 3.98Å; L597-I602 HydrophobicContact CG-CD1 3.98Å; L597-I602 HydrophobicContact CG-CG1 4.22Å; L597-I602 PolarHBondContact O-N 3.22Å; M598-I602 HydrophobicContact SD-CD1 4.24Å; I602-W604 HydrophobicContact CB-CZ2 3.9Å; I602-W604 HydrophobicContact CD1-CH2 4.26Å; I602-W604 HydrophobicContact CD1-CZ2 3.89Å; I602-W604 HydrophobicContact CG2-CD2 3.79Å; I602-W604 VanDerWaalsContact CG2-CE2 3.45Å; I602-W604 HydrophobicContact CG2-CE3 4.15Å; I602-W604 HydrophobicContact CG2-CG 4.36Å; I602-W604 HydrophobicContact CG2-CH2 3.9Å; I602-W604 HydrophobicContact CG2-CZ2 3.54Å; I602-W604 HydrophobicContact CG2-CZ3 4.19Å
603K92.3Very high77.6Confident103 Ų10385.5 Ų85.545%0.44844%0.44SS..  trans-92110173.9-56.3-55-172.5-170.80108.3K556 H600 E606K556-K603 WeakPolarHBondContact CE-O 3.41Å; K556-K603 PolarHBondContact NZ-O 3.41Å; H600-K603 PolarHBondContact O-NZ 3.37Å; K603-E606 HydrophobicContact CB-CB 4.3Å; K603-E606 HydrophobicContact CB-CG 3.7Å; K603-E606 WeakPolarHBondContact CB-OE2 3.47Å; K603-E606 HydrophobicContact CG-CG 4.5Å; K603-E606 WeakPolarHBondContact CG-OE1 3.44Å
604W89.3Confident74.8Confident14 Ų1487.5 Ų87.55%0.05346%0.455CS..SBendtrans-83.3-30.2-168.4-68.6101.5000112.7V548 L551 K556 I560 M598 I602 N628 C630V548-W604 HydrophobicContact CG1-CD2 4.36Å; V548-W604 HydrophobicContact CG1-CE3 3.66Å; V548-W604 HydrophobicContact CG1-CH2 4.3Å; V548-W604 HydrophobicContact CG1-CZ3 3.64Å; V548-W604 HydrophobicContact CG2-CH2 4.14Å; V548-W604 HydrophobicContact CG2-CZ2 4.36Å; V548-W604 HydrophobicContact CG2-CZ3 4.31Å; L551-W604 HydrophobicContact CD1-CH2 3.93Å; L551-W604 HydrophobicContact CD1-CZ3 3.67Å; K556-W604 HydrophobicContact CB-CH2 4.4Å; K556-W604 HydrophobicContact CB-CZ3 4.14Å; K556-W604 HydrophobicContact CD-CE3 3.8Å; K556-W604 HydrophobicContact CD-CZ3 3.74Å; K556-W604 HydrophobicContact CG-CZ3 4.46Å; K556-W604 PolarHBondContact NZ-O 2.97Å; I560-W604 HydrophobicContact CD1-CH2 4.12Å; M598-W604 HydrophobicContact CE-CH2 4.2Å; M598-W604 HydrophobicContact CE-CZ2 3.79Å; M598-W604 PolarHBondContact O-NE1 3.47Å; M598-W604 HydrophobicContact SD-CZ2 4.12Å; I602-W604 HydrophobicContact CB-CZ2 3.9Å; I602-W604 HydrophobicContact CD1-CH2 4.26Å; I602-W604 HydrophobicContact CD1-CZ2 3.89Å; I602-W604 HydrophobicContact CG2-CD2 3.79Å; I602-W604 VanDerWaalsContact CG2-CE2 3.45Å; I602-W604 HydrophobicContact CG2-CE3 4.15Å; I602-W604 HydrophobicContact CG2-CG 4.36Å; I602-W604 HydrophobicContact CG2-CH2 3.9Å; I602-W604 HydrophobicContact CG2-CZ2 3.54Å; I602-W604 HydrophobicContact CG2-CZ3 4.19Å; W604-N628 CarbonylContact C-O 3.54Å; W604-N628 WeakPolarHBondContact CB-O 3.43Å; W604-N628 PolarHBondContact O-ND2 3.18Å; W604-C630 VanDerWaalsContact CD1-CB 3.5Å; W604-C630 HydrophobicContact CD2-CB 3.89Å; W604-C630 VanDerWaalsContact CE2-CB 3.43Å; W604-C630 HydrophobicContact CG-CB 3.93Å; W604-C630 HydrophobicContact CZ2-CB 4.02Å
605D83.8Confident72.5Confident98 Ų9895.1 Ų95.152%0.52450%0.496SS..SBendtrans-72.8-32.3179.354-28.4000115Q607D605-Q607 PolarHBondContact O-N 2.95Å
606E71.4Confident69.8Low132 Ų13299 Ų9962%0.61752%0.52SS*.THydrogen-bonded Turntrans-64.613.8-171.6-72.1178.9174.900116.8K603K603-E606 HydrophobicContact CB-CB 4.3Å; K603-E606 HydrophobicContact CB-CG 3.7Å; K603-E606 WeakPolarHBondContact CB-OE2 3.47Å; K603-E606 HydrophobicContact CG-CG 4.5Å; K603-E606 WeakPolarHBondContact CG-OE1 3.44Å
607Q58.4Low67.5Low60 Ų60102.1 Ų102.128%0.2854%0.541SS..THydrogen-bonded Turntrans-107.6-8.5-167.2-124.9-172.1-53.500117.1N553 D605N553-Q607 VanDerWaalsContact CB-CD 3.44Å; N553-Q607 VanDerWaalsContact CB-OE1 3.32Å; N553-Q607 VanDerWaalsContact CG-NE2 3.28Å; N553-Q607 WeakPolarHBondContact ND2-CG 3.5Å; N553-Q607 PolarHBondContact ND2-NE2 3.33Å; N553-Q607 PolarHBondContact ND2-OE1 2.95Å; D605-Q607 PolarHBondContact O-N 2.95Å
608T52.9Low64.9Low138 Ų138110.4 Ų110.485%0.84758%0.579SS**SBendtrans-82.6-15.8-179.5-48.10000112.5
609S48.4Very low62.2Low97 Ų97113.9 Ų113.968%0.67860%0.604SS**SBendtrans-94.2-11.1-168.867.20000116.8
610N44.4Very low60Low148 Ų148118.1 Ų118.179%0.79163%0.627SS**SBendtrans-109.710.8-167.8-87.214.8000115.6
611T43.2Very low57.7Low117 Ų117121.6 Ų121.672%0.71864%0.643SS**SBendtrans-11988.4172.9-38.40000109.8
612K40.4Very low55.3Low187 Ų187119.8 Ų119.881%0.81364%0.641SS**  trans65123.2168.8-60.6-177.6176.7-176.50115.2D614K612-D614 PolarHBondContact O-N 3.43Å
613G46.3Very low53Low83 Ų83122.7 Ų122.786%0.85667%0.665SS**  trans-59.9117.5156.800000108.1
614D37.1Very low50.8Low149 Ų149122.9 Ų122.980%0.79768%0.675SS**  trans-137.5123.4148.8-118-19.8000104.4K612 D616K612-D614 PolarHBondContact O-N 3.43Å; D614-D616 PolarHBondContact O-N 3.32Å
615D47Very low49Very low160 Ų160129.4 Ų129.486%0.85670%0.704SS**  trans-63.5106.6171.4-70.8-46.8000107.8
616D40.4Very low47.9Very low146 Ų146131 Ų13178%0.78171%0.706SS**  trans-129.796.7158.3-88.7-36.7000107.5D614 E618D614-D616 PolarHBondContact O-N 3.32Å; D616-E618 PolarHBondContact O-N 2.93Å
617E49.5Very low48.1Very low206 Ų206128 Ų12896%0.96370%0.697SS**  trans-63.279.8161.7-70.2-174.9160.400109
618E41.6Very low49.5Very low177 Ų177126.1 Ų126.183%0.82769%0.689SS**  trans-121.5100.6168.6-153177.6-15900110.7D616D616-E618 PolarHBondContact O-N 2.93Å
619S40.5Very low51.2Low74 Ų74123.9 Ų123.952%0.51767%0.667SS.*  trans52.496.1157.6-164.60000117.9E621 E622S619-E621 PolarHBondContact O-N 3.39Å; S619-E622 PolarHBondContact O-N 2.9Å
620D47.8Very low53.3Low145 Ų145119.9 Ų119.978%0.77564%0.639SS**THydrogen-bonded Turntrans-64.8-2.1178.5-141.24.6000114.5
621E47.2Very low55.7Low169 Ų169114.7 Ų114.779%0.7961%0.613SS**THydrogen-bonded Turntrans-97.8-25.9179.8-64.3-168.9171.600114.1S619S619-E621 PolarHBondContact O-N 3.39Å
622E45.4Very low58.3Low108 Ų108111.5 Ų111.551%0.50559%0.591SS.*THydrogen-bonded Turntrans-89-22.8178.5-93-92.1147.300112.9S619 K626S619-E622 PolarHBondContact O-N 2.9Å; E622-K626 IonicContact OE2-NZ 3.64Å; E622-K626 PolarHBondContact OE2-NZ 3.05Å
623A45.9Very low60.9Low65 Ų65103.5 Ų103.554%0.53756%0.558SS.*SBendtrans-72.4-32.7-179.800000112.6K625 K626A623-K625 VanDerWaalsContact C-N 3.34Å; A623-K625 PolarHBondContact O-N 3.26Å; A623-K626 PolarHBondContact O-N 3.05Å
624V46.3Very low63.3Low107 Ų107103.5 Ų103.565%0.64853%0.532SS*.G310 helixtrans-68.1-32.8179.6-1760000111.6K626V624-K626 VanDerWaalsContact C-N 3.31Å; V624-K626 PolarHBondContact O-N 3.5Å
625K50.1Low66.1Low152 Ų152100.8 Ų100.866%0.66152%0.515SS*.G310 helixtrans-73.7-15.5176.6-78.5-175.7175.5-173.70114.2R549 A623R549-K625 PolarHBondContact NH1-O 3.01Å; A623-K625 VanDerWaalsContact C-N 3.34Å; A623-K625 PolarHBondContact O-N 3.26Å
626K61.9Low68.3Low130 Ų13094 Ų9457%0.56548%0.483SS*.G310 helixtrans-105.621-174.7-72.6175.3-167.4144.80114.9E622 A623 V624 N628E622-K626 IonicContact OE2-NZ 3.64Å; E622-K626 PolarHBondContact OE2-NZ 3.05Å; A623-K626 PolarHBondContact O-N 3.05Å; V624-K626 VanDerWaalsContact C-N 3.31Å; V624-K626 PolarHBondContact O-N 3.5Å; K626-N628 PolarHBondContact O-N 3.31Å
627T75.7Confident70.8Confident70 Ų7091.4 Ų91.443%0.42947%0.472SS..  trans-61.5133.4173.8-172.60000111.6R549 K629R549-T627 PolarHBondContact NH1-O 2.81Å; T627-K629 PolarHBondContact O-N 2.83Å
628N87Confident72.8Confident20 Ų2083 Ų8311%0.10744%0.438CS..  trans-78.1110.9176.5-175.222.7000108.8N550 W604 K626N550-N628 PolarHBondContact N-OD1 2.99Å; N550-N628 PolarHBondContact O-ND2 3.4Å; N550-N628 PolarHBondContact O-OD1 3.35Å; W604-N628 CarbonylContact C-O 3.54Å; W604-N628 WeakPolarHBondContact CB-O 3.43Å; W604-N628 PolarHBondContact O-ND2 3.18Å; K626-N628 PolarHBondContact O-N 3.31Å
629K89.3Confident74.9Confident91 Ų9181.9 Ų81.940%0.39643%0.43SS..  trans-121.7153176.464.8-177.3179.3-175.30111.5R549 T627 V631 E680R549-K629 PolarHBondContact N-O 2.99Å; T627-K629 PolarHBondContact O-N 2.83Å; K629-V631 HydrophobicContact CD-CG1 4.2Å; K629-V631 HydrophobicContact CG-CG1 4.28Å; K629-E680 WeakPolarHBondContact CE-OE1 3.36Å; K629-E680 IonicContact NZ-OE1 3.95Å; K629-E680 PolarHBondContact NZ-OE1 3.07Å
630C93Very high77.1Confident14 Ų1483.6 Ų83.610%0.09543%0.433CS..EExtended strand (participates in β ladder)trans-107.1126.4168.4178.10000107.9R547 V548 W604R547-C630 WeakPolarHBondContact O-CA 3.45Å; V548-C630 HydrophobicContact CG2-CB 3.87Å; W604-C630 VanDerWaalsContact CD1-CB 3.5Å; W604-C630 HydrophobicContact CD2-CB 3.89Å; W604-C630 VanDerWaalsContact CE2-CB 3.43Å; W604-C630 HydrophobicContact CG-CB 3.93Å; W604-C630 HydrophobicContact CZ2-CB 4.02Å
631V94.2Very high79.1Confident38 Ų3881.1 Ų81.123%0.2341%0.413CS..EExtended strand (participates in β ladder)trans-120.8149174.1-56.80000109.8Y546 R547 K629 V633Y546-V631 VanDerWaalsContact CA-O 3.24Å; Y546-V631 WeakPolarHBondContact CA-O 3.38Å; R547-V631 HydrophobicContact CG-CG2 3.28Å; R547-V631 PolarHBondContact N-O 3.29Å; R547-V631 PolarHBondContact O-N 2.79Å; K629-V631 HydrophobicContact CD-CG1 4.2Å; K629-V631 HydrophobicContact CG-CG1 4.28Å; V631-V633 HydrophobicContact CG2-CG2 4.43Å
632L96.9Very high81.2Confident51 Ų5175.2 Ų75.227%0.26739%0.391SS..EExtended strand (participates in β ladder)trans-83.8114.7169.6175.970.4000107Y546 K595 L599 W634 E635Y546-L632 HydrophobicContact CD1-CB 4.15Å; Y546-L632 HydrophobicContact CD1-CD1 3.91Å; Y546-L632 HydrophobicContact CE1-CB 4.13Å; Y546-L632 HydrophobicContact CE1-CD1 3.53Å; Y546-L632 HydrophobicContact CE1-CG 4.41Å; K595-L632 HydrophobicContact CD-CD2 4.28Å; L599-L632 HydrophobicContact CD1-CB 4.4Å; L632-W634 WeakPolarHBondContact CD1-O 3.47Å; L632-E635 HydrophobicContact CD1-CB 4.35Å; L632-E635 HydrophobicContact CD2-CB 4.13Å
633V95.9Very high83.5Confident19 Ų1970.6 Ų70.612%0.11537%0.369CS..EExtended strand (participates in β ladder)trans-82.6-48.9179.6176.10000109.4V545 R547 V631 L672 A673V545-V633 HydrophobicContact CB-CB 4.45Å; V545-V633 HydrophobicContact CG1-CB 4.2Å; V545-V633 PolarHBondContact O-N 3.48Å; R547-V633 HydrophobicContact CB-CG2 3.78Å; R547-V633 HydrophobicContact CG-CG2 3.64Å; V631-V633 HydrophobicContact CG2-CG2 4.43Å; V633-L672 HydrophobicContact CG1-CD2 3.82Å; V633-L672 HydrophobicContact CG1-CG 3.75Å; V633-A673 HydrophobicContact CG1-CB 4.31Å; V633-A673 HydrophobicContact CG2-CB 4.28Å
634W96.1Very high85.6Confident83 Ų8369.7 Ų69.731%0.31437%0.366SS..EExtended strand (participates in β ladder)trans-145.7143.4-176.9-174.476000111.7I543 S544 V545 L632 Y669 L672I543-W634 HydrophobicContact CB-CE3 4.46Å; I543-W634 HydrophobicContact CB-CZ3 3.7Å; I543-W634 HydrophobicContact CG2-CE3 4.2Å; I543-W634 HydrophobicContact CG2-CZ3 3.74Å; S544-W634 CarbonylContact C-O 3.6Å; S544-W634 WeakPolarHBondContact CA-O 3.3Å; V545-W634 HydrophobicContact CB-CB 4.19Å; V545-W634 HydrophobicContact CG2-CB 4.37Å; V545-W634 HydrophobicContact CG2-CE3 4.05Å; V545-W634 PolarHBondContact N-O 3.28Å; V545-W634 PolarHBondContact O-N 3.14Å; L632-W634 WeakPolarHBondContact CD1-O 3.47Å; W634-Y669 HydrophobicContact CD2-CE1 4.42Å; W634-Y669 HydrophobicContact CE3-CD1 4.11Å; W634-Y669 AromaticContact CE3-CE1 3.61Å; W634-Y669 HydrophobicContact CE3-CE1 3.61Å; W634-Y669 HydrophobicContact CH2-CE1 4.03Å; W634-Y669 HydrophobicContact CZ3-CD1 4.29Å; W634-Y669 AromaticContact CZ3-CE1 3.36Å; W634-Y669 HydrophobicContact CZ3-CE1 3.36Å; W634-Y669 AromaticContact CZ3-CZ 3.81Å; W634-L672 HydrophobicContact CB-CD2 3.99Å; W634-L672 HydrophobicContact CG-CD2 4.39Å
635E95.8Very high87.7Confident92 Ų9271.6 Ų71.643%0.4337%0.368SS..EExtended strand (participates in β ladder)trans-137.2124.3172.2-176.3172.3-166.700108.2I543 K595 L632I543-E635 WeakPolarHBondContact O-CA 3.49Å; K595-E635 IonicContact NZ-OE1 2.63Å; K595-E635 IonicContact NZ-OE2 3.38Å; K595-E635 PolarHBondContact NZ-OE2 3.26Å; L632-E635 HydrophobicContact CD1-CB 4.35Å; L632-E635 HydrophobicContact CD2-CB 4.13Å
636G93.9Very high89.9Confident18 Ų1864.7 Ų64.719%0.18634%0.338CS..EExtended strand (participates in β ladder)trans-166.1-163.3-175.800000112.5H542 I543H542-G636 CarbonylContact C-O 3.34Å; H542-G636 WeakPolarHBondContact CA-O 3.28Å; I543-G636 PolarHBondContact N-O 2.79Å; I543-G636 PolarHBondContact O-N 3.36Å
637T92.8Very high91.4Very high91 Ų9165.4 Ų65.456%0.55834%0.341SS*.EExtended strand (participates in β ladder)trans-130.6142.6-178.548.90000110.7V541 H542V541-T637 CarbonylContact O-C 3.6Å; V541-T637 VanDerWaalsContact O-CA 3.26Å; V541-T637 WeakPolarHBondContact O-CA 3.28Å; H542-T637 VanDerWaalsContact CE1-CG2 3.42Å; H542-T637 WeakPolarHBondContact CE1-CG2 3.5Å; H542-T637 WeakPolarHBondContact ND1-CG2 3.36Å
638A90.7Very high92.2Very high29 Ų2965 Ų6524%0.2433%0.333CS..EExtended strand (participates in β ladder)trans-122.7164.7168.100000110.2V541 I543V541-A638 HydrophobicContact CG1-CB 3.95Å; V541-A638 WeakPolarHBondContact CG1-O 3.09Å; V541-A638 PolarHBondContact N-O 2.92Å; V541-A638 PolarHBondContact O-N 2.99Å; I543-A638 HydrophobicContact CD1-CB 3.48Å; I543-A638 VanDerWaalsContact CD1-CB 3.48Å; I543-A638 HydrophobicContact CG1-CB 4.39Å
639K87.1Confident92.6Very high153 Ų15368.7 Ų68.767%0.66535%0.349SS*.SBendtrans-63.8-57.8179.3-171.7179.7179.5-178.90111
640D86.6Confident92.7Very high110 Ų11071.4 Ų71.459%0.58836%0.363SS*.SBendtrans-125.1165-174.7-57.3-49.1000111.4V541V541-D640 VanDerWaalsContact CG1-O 3.25Å; V541-D640 WeakPolarHBondContact CG1-O 3.42Å
641R89.7Confident92.6Very high93 Ų9370.9 Ų70.935%0.35136%0.359SS..  trans-76.2124.8176.9-50-178.188.7162.212.6109.6V541 Y568 T570 E585V541-R641 HydrophobicContact CB-CG 4.32Å; V541-R641 HydrophobicContact CG2-CG 4.13Å; Y568-R641 PolarHBondContact O-NH2 2.95Å; T570-R641 VanDerWaalsContact N-NH2 3.17Å; T570-R641 PolarHBondContact OG1-NE 3.45Å; T570-R641 PolarHBondContact OG1-NH2 3.45Å; E585-R641 PolarHBondContact O-NH2 2.94Å
642S91.6Very high92.3Very high45 Ų4573 Ų7332%0.31537%0.373SS..  trans-84.2-30.1175.9-680000112.2E585 H664E585-S642 WeakPolarHBondContact OE1-CB 3.27Å; E585-S642 PolarHBondContact OE1-N 3.47Å; E585-S642 PolarHBondContact OE2-N 2.98Å; E585-S642 VanDerWaalsContact OE2-N 3.09Å; S642-H664 WeakPolarHBondContact CB-O 3.35Å; S642-H664 PolarHBondContact O-ND1 3.44Å; S642-H664 PolarHBondContact OG-O 2.97Å
643F92.8Very high92Very high12 Ų1273.8 Ų73.85%0.05338%0.381CS..  trans-107.7150.8-176.3-61.6-80.4000112.9T570 V572 V583 E585 F661 H664 A666T570-F643 WeakPolarHBondContact CB-O 3.32Å; V572-F643 HydrophobicContact CB-CD1 3.96Å; V572-F643 HydrophobicContact CB-CE1 4.01Å; V572-F643 HydrophobicContact CG1-CD1 3.85Å; V572-F643 HydrophobicContact CG1-CE1 3.44Å; V572-F643 VanDerWaalsContact CG1-CE1 3.44Å; V572-F643 HydrophobicContact CG1-CE2 4.3Å; V572-F643 HydrophobicContact CG1-CG 4.43Å; V572-F643 HydrophobicContact CG1-CZ 3.7Å; V583-F643 HydrophobicContact CB-CE2 4.42Å; V583-F643 HydrophobicContact CG1-CD2 4.27Å; V583-F643 HydrophobicContact CG1-CE2 3.9Å; E585-F643 HydrophobicContact CG-CD2 4.3Å; E585-F643 WeakPolarHBondContact OE1-CD2 3.43Å; E585-F643 PolarHBondContact OE2-N 3.24Å; F643-F661 HydrophobicContact CE1-CD1 4.45Å; F643-F661 AromaticContact CZ-CD1 3.73Å; F643-F661 HydrophobicContact CZ-CD1 3.73Å; F643-F661 AromaticContact CZ-CE1 3.8Å; F643-F661 HydrophobicContact CZ-CE1 3.8Å; F643-H664 HydrophobicContact CD1-CB 4.07Å; F643-H664 AromaticContact CD1-CD2 3.88Å; F643-H664 AromaticContact CD1-CE1 3.92Å; F643-H664 AromaticContact CD1-CG 3.6Å; F643-H664 AromaticContact CD1-ND1 3.63Å; F643-H664 HydrophobicContact CE1-CB 3.54Å; F643-H664 AromaticContact CE1-CD2 3.59Å; F643-H664 AromaticContact CE1-CG 3.41Å; F643-H664 VanDerWaalsContact CE1-CG 3.41Å; F643-H664 AromaticContact CE1-ND1 3.95Å; F643-H664 HydrophobicContact CZ-CB 3.83Å; F643-A666 HydrophobicContact CE2-CB 3.9Å; F643-A666 HydrophobicContact CZ-CB 3.7Å
644G90.1Very high91.6Very high46 Ų4675.3 Ų75.347%0.47439%0.387SS..  trans-80.4-148.5166.800000111.9T570 G571T570-G644 WeakPolarHBondContact CA-O 3.46Å; T570-G644 WeakPolarHBondContact CB-O 3.34Å; T570-G644 WeakPolarHBondContact CG2-O 3.48Å; G571-G644 PolarHBondContact N-O 3.21Å
645E91.6Very high91.3Very high146 Ų14677.1 Ų77.168%0.68240%0.402SS*.BIsolated β-bridgetrans-57.1152.4175.8-172166.8-153.800112.7K647E645-K647 WeakPolarHBondContact O-CG 3.35Å; E645-K647 PolarHBondContact O-N 2.95Å; E645-K647 VanDerWaalsContact O-N 3.1Å
646M94.7Very high91.1Very high7 Ų777.8 Ų77.83%0.03441%0.407CS..  trans-59.8111.3-178.9-16860.4153.800111.4I560 A564 G571 V572 V573 V582 V584I560-M646 HydrophobicContact CG2-CE 3.65Å; A564-M646 HydrophobicContact CB-CB 3.91Å; A564-M646 HydrophobicContact CB-CG 3.84Å; G571-M646 WeakPolarHBondContact O-CA 3.09Å; V572-M646 PolarHBondContact N-SD 3.06Å; V573-M646 HydrophobicContact CG2-CE 3.32Å; V573-M646 HydrophobicContact CG2-SD 4.15Å; V582-M646 HydrophobicContact CG1-CE 3.75Å; V584-M646 HydrophobicContact CG2-CE 3.92Å
647K93.2Very high91Very high145 Ų14577 Ų7763%0.6340%0.398SS*.EExtended strand (participates in β ladder)trans-119.8142.2-179.6-72.3175.9-176.2-179.50111.9V572 V573 E645V572-K647 WeakPolarHBondContact CG2-O 3.4Å; V573-K647 PolarHBondContact N-O 3.17Å; E645-K647 WeakPolarHBondContact O-CG 3.35Å; E645-K647 PolarHBondContact O-N 2.95Å; E645-K647 VanDerWaalsContact O-N 3.1Å
648F94.4Very high91Very high61 Ų6177.5 Ų77.527%0.26839%0.39SS..EExtended strand (participates in β ladder)trans-90121.6170.4-70.8-98.9000109.7L551 K557 I560 E561 V573 L575L551-F648 HydrophobicContact CD2-CE1 4.32Å; K557-F648 HydrophobicContact CB-CE1 3.94Å; K557-F648 HydrophobicContact CB-CZ 3.99Å; K557-F648 HydrophobicContact CD-CE1 4.35Å; K557-F648 HydrophobicContact CG-CD1 4.48Å; K557-F648 HydrophobicContact CG-CE1 3.84Å; K557-F648 HydrophobicContact CG-CZ 4.4Å; K557-F648 WeakPolarHBondContact O-CZ 3.46Å; I560-F648 HydrophobicContact CB-CZ 4.4Å; I560-F648 HydrophobicContact CG2-CZ 4.24Å; E561-F648 HydrophobicContact CB-CE2 3.74Å; E561-F648 HydrophobicContact CB-CZ 4.32Å; E561-F648 HydrophobicContact CG-CE2 3.91Å; V573-F648 HydrophobicContact CB-CD1 3.6Å; V573-F648 HydrophobicContact CB-CE1 3.69Å; V573-F648 HydrophobicContact CB-CG 4.17Å; V573-F648 HydrophobicContact CB-CZ 4.29Å; V573-F648 HydrophobicContact CG1-CD1 3.66Å; V573-F648 HydrophobicContact CG1-CE1 3.62Å; V573-F648 HydrophobicContact CG2-CD1 4.13Å; V573-F648 HydrophobicContact CG2-CE1 3.75Å; V573-F648 HydrophobicContact CG2-CE2 4.4Å; V573-F648 HydrophobicContact CG2-CZ 3.89Å; V573-F648 CarbonylContact O-C 3.43Å; V573-F648 WeakPolarHBondContact O-CA 3.46Å; L575-F648 HydrophobicContact CD1-CD1 4.37Å
649K93.4Very high91.2Very high99 Ų9980.3 Ų80.343%0.4340%0.398SS..EExtended strand (participates in β ladder)trans-116.6121.6172.6-168.570.3-179176.90109.5V573 V574 L575V573-K649 PolarHBondContact O-N 2.72Å; V574-K649 WeakPolarHBondContact CA-O 3.37Å; L575-K649 PolarHBondContact N-O 2.67Å
650Q93.1Very high91.5Very high148 Ų14874.8 Ų74.869%0.69238%0.375SS*.EExtended strand (participates in β ladder)trans-88.7120.6171.9-171.4171.28.700109.2
651C89.9Confident91.9Very high2 Ų269.6 Ų69.61%0.01435%0.347CS..  trans-122.5106.1177.7-700000108V574 L575 H576 T653 M656 A657V574-C651 HydrophobicContact CG1-CB 4.04Å; L575-C651 PolarHBondContact O-N 2.94Å; H576-C651 PolarHBondContact CD2-O 2.99Å; C651-T653 PolarHBondContact O-N 3.41Å; C651-M656 HydrophobicContact CB-CB 4.28Å; C651-A657 HydrophobicContact CB-CB 3.82Å
652P88.9Confident92.1Very high82 Ų8271.3 Ų71.353%0.53236%0.357SS..SBendtrans-67.3-22.3-179.4-23.635000114.3
653T89.4Confident92.2Very high69 Ų6976.5 Ų76.542%0.42337%0.373SS..SBendtrans-121.9148.6-179.263.90000111C651 N655 M656 A657C651-T653 PolarHBondContact O-N 3.41Å; T653-N655 VanDerWaalsContact C-N 3.3Å; T653-N655 PolarHBondContact O-N 2.92Å; T653-M656 PolarHBondContact O-N 3.49Å; T653-M656 WeakPolarHBondContact OG1-CB 3.46Å; T653-M656 WeakPolarHBondContact OG1-CG 3.33Å; T653-M656 PolarHBondContact OG1-N 3.25Å; T653-A657 PolarHBondContact O-N 2.88Å
654E88.6Confident92.2Very high51 Ų5179 Ų7924%0.23839%0.385CS..Hα-helixtrans-61.6-38.9-180-60.6174177.800111.3R369 H576 M656 A657 R658 W670 L674R369-E654 IonicContact CZ-OE1 2.65Å; R369-E654 IonicContact NE-OE1 3.9Å; R369-E654 IonicContact NH2-OE1 2.97Å; R369-E654 PolarHBondContact NH2-OE1 3.05Å; H576-E654 VanDerWaalsContact CE1-CG 3.47Å; H576-E654 WeakPolarHBondContact CE1-CG 3.35Å; H576-E654 IonicContact CE1-OE1 3.81Å; H576-E654 VanDerWaalsContact NE2-CG 3.35Å; H576-E654 WeakPolarHBondContact NE2-CG 3.36Å; E654-M656 PolarHBondContact O-N 2.92Å; E654-A657 WeakPolarHBondContact O-CB 3.42Å; E654-A657 PolarHBondContact O-N 3.45Å; E654-R658 PolarHBondContact O-N 2.83Å; E654-W670 HydrophobicContact CB-CZ2 4.26Å; E654-W670 HydrophobicContact CG-CZ2 4.38Å; E654-L674 HydrophobicContact CB-CD2 4.39Å; E654-L674 HydrophobicContact CG-CD2 4.4Å
655N89.8Confident92.4Very high120 Ų12079.1 Ų79.164%0.64239%0.386SS*.Hα-helixtrans-65.3-37.9179.2-159.713.5000112.4T653 R658 E659T653-N655 VanDerWaalsContact C-N 3.3Å; T653-N655 PolarHBondContact O-N 2.92Å; N655-R658 PolarHBondContact O-N 2.94Å; N655-E659 VanDerWaalsContact O-CB 3.3Å; N655-E659 WeakPolarHBondContact O-CB 3.21Å; N655-E659 PolarHBondContact O-N 3.38Å
656M91.7Very high92.5Very high107 Ų10772.1 Ų72.153%0.52735%0.354SS..Hα-helixtrans-68.3-35.1174.5-74.3-178.372.800112.6C651 T653 E654 H660C651-M656 HydrophobicContact CB-CB 4.28Å; T653-M656 PolarHBondContact O-N 3.49Å; T653-M656 WeakPolarHBondContact OG1-CB 3.46Å; T653-M656 WeakPolarHBondContact OG1-CG 3.33Å; T653-M656 PolarHBondContact OG1-N 3.25Å; E654-M656 PolarHBondContact O-N 2.92Å; M656-H660 PolarHBondContact O-N 2.92Å; M656-H660 VanDerWaalsContact O-N 3.11Å
657A91.9Very high92.4Very high0 Ų074.9 Ų74.90%037%0.366CS..Hα-helixtrans-64.1-49.5173.600000110.5V574 C651 T653 E654 E659 H660 F661 W670V574-A657 HydrophobicContact CG1-CB 3.76Å; C651-A657 HydrophobicContact CB-CB 3.82Å; T653-A657 PolarHBondContact O-N 2.88Å; E654-A657 WeakPolarHBondContact O-CB 3.42Å; E654-A657 PolarHBondContact O-N 3.45Å; A657-E659 PolarHBondContact O-N 2.88Å; A657-H660 WeakPolarHBondContact O-CB 3.49Å; A657-H660 PolarHBondContact O-N 2.91Å; A657-H660 VanDerWaalsContact O-N 3.14Å; A657-F661 VanDerWaalsContact O-CD2 3.32Å; A657-F661 WeakPolarHBondContact O-CD2 3.45Å; A657-F661 PolarHBondContact O-N 3.33Å; A657-F661 VanDerWaalsContact O-N 3.09Å; A657-W670 HydrophobicContact CB-CD2 3.88Å; A657-W670 HydrophobicContact CB-CE3 3.98Å; A657-W670 HydrophobicContact CB-CH2 3.62Å; A657-W670 HydrophobicContact CB-CZ2 3.49Å; A657-W670 VanDerWaalsContact CB-CZ2 3.49Å; A657-W670 HydrophobicContact CB-CZ3 3.85Å
658R92.8Very high92.4Very high102 Ų10272.4 Ų72.439%0.38536%0.357SS..Hα-helixtrans-58.9-46.1177.4-165.8177-170.2-134-0.7112.4E654 N655 H660 F661 K662 E667 D671E654-R658 PolarHBondContact O-N 2.83Å; N655-R658 PolarHBondContact O-N 2.94Å; R658-H660 VanDerWaalsContact C-N 3.28Å; R658-H660 PolarHBondContact O-N 3.11Å; R658-F661 PolarHBondContact O-N 3.49Å; R658-F661 VanDerWaalsContact O-N 3.12Å; R658-K662 WeakPolarHBondContact O-CB 3.41Å; R658-K662 PolarHBondContact O-N 2.93Å; R658-E667 HydrophobicContact CG-CB 4.4Å; R658-D671 WeakPolarHBondContact CD-OD1 2.99Å; R658-D671 IonicContact CZ-OD1 3.95Å; R658-D671 IonicContact CZ-OD2 2.79Å; R658-D671 IonicContact NE-OD1 3.02Å; R658-D671 PolarHBondContact NE-OD1 3.02Å; R658-D671 IonicContact NE-OD2 2.8Å; R658-D671 PolarHBondContact NE-OD2 3.46Å; R658-D671 IonicContact NH2-OD2 3.36Å; R658-D671 PolarHBondContact NH2-OD2 3.16Å
659E93.4Very high92.4Very high89 Ų8970 Ų7042%0.41635%0.346SS..Hα-helixtrans-61-36.1176.6-177.160.7-159.900112.2N655 A657 K662 K663N655-E659 VanDerWaalsContact O-CB 3.3Å; N655-E659 WeakPolarHBondContact O-CB 3.21Å; N655-E659 PolarHBondContact O-N 3.38Å; A657-E659 PolarHBondContact O-N 2.88Å; E659-K662 PolarHBondContact O-N 2.97Å; E659-K663 WeakPolarHBondContact O-CG 3.43Å; E659-K663 PolarHBondContact O-N 3.4Å
660H93.6Very high92.5Very high37 Ų3765.4 Ų65.417%0.17133%0.326CS..Hα-helixtrans-65-42.9174-177.1-79.7000111.9M656 A657 R658 K663 H664M656-H660 PolarHBondContact O-N 2.92Å; M656-H660 VanDerWaalsContact O-N 3.11Å; A657-H660 WeakPolarHBondContact O-CB 3.49Å; A657-H660 PolarHBondContact O-N 2.91Å; A657-H660 VanDerWaalsContact O-N 3.14Å; R658-H660 VanDerWaalsContact C-N 3.28Å; R658-H660 PolarHBondContact O-N 3.11Å; H660-K663 PolarHBondContact O-N 3.43Å; H660-H664 PolarHBondContact O-CD2 3.05Å
661F94.4Very high92.4Very high0 Ų060.2 Ų60.20%030%0.303CS..Hα-helixtrans-67.7-36.9175.7-83.6-79.2000112.5V572 V574 V581 V583 F643 A657 R658 K663 H664 G665 A666 W670V572-F661 HydrophobicContact CG1-CE1 3.62Å; V572-F661 HydrophobicContact CG1-CZ 3.76Å; V574-F661 HydrophobicContact CB-CE2 3.87Å; V574-F661 HydrophobicContact CB-CZ 4.37Å; V574-F661 HydrophobicContact CG1-CE2 4.5Å; V574-F661 HydrophobicContact CG2-CD2 4.15Å; V574-F661 HydrophobicContact CG2-CE2 3.32Å; V574-F661 HydrophobicContact CG2-CZ 3.74Å; V581-F661 HydrophobicContact CB-CZ 4.48Å; V581-F661 HydrophobicContact CG1-CZ 4.14Å; V583-F661 HydrophobicContact CB-CE1 4.4Å; V583-F661 HydrophobicContact CG2-CE1 3.55Å; V583-F661 HydrophobicContact CG2-CZ 3.89Å; F643-F661 HydrophobicContact CE1-CD1 4.45Å; F643-F661 AromaticContact CZ-CD1 3.73Å; F643-F661 HydrophobicContact CZ-CD1 3.73Å; F643-F661 AromaticContact CZ-CE1 3.8Å; F643-F661 HydrophobicContact CZ-CE1 3.8Å; A657-F661 VanDerWaalsContact O-CD2 3.32Å; A657-F661 WeakPolarHBondContact O-CD2 3.45Å; A657-F661 PolarHBondContact O-N 3.33Å; A657-F661 VanDerWaalsContact O-N 3.09Å; R658-F661 PolarHBondContact O-N 3.49Å; R658-F661 VanDerWaalsContact O-N 3.12Å; F661-K663 VanDerWaalsContact C-N 3.3Å; F661-K663 PolarHBondContact O-N 2.96Å; F661-H664 CarbonylContact O-C 3.48Å; F661-H664 WeakPolarHBondContact O-CA 3.36Å; F661-H664 PolarHBondContact O-N 3.36Å; F661-G665 PolarHBondContact O-N 3.43Å; F661-A666 HydrophobicContact CD1-CB 4.09Å; F661-A666 WeakPolarHBondContact CD1-O 3.38Å; F661-A666 PolarHBondContact O-N 3.43Å; F661-W670 HydrophobicContact CB-CB 4.35Å; F661-W670 HydrophobicContact CD2-CB 3.6Å; F661-W670 HydrophobicContact CD2-CD2 4.37Å; F661-W670 HydrophobicContact CD2-CE3 4.25Å; F661-W670 HydrophobicContact CD2-CG 4.12Å; F661-W670 HydrophobicContact CE2-CB 4.03Å; F661-W670 HydrophobicContact CE2-CD2 4.38Å; F661-W670 AromaticContact CE2-CE3 3.83Å; F661-W670 HydrophobicContact CE2-CE3 3.83Å; F661-W670 HydrophobicContact CE2-CG 4.49Å; F661-W670 HydrophobicContact CG-CB 3.99Å
662K94.5Very high92.6Very high129 Ų12962.9 Ų62.956%0.56132%0.317SS*.Hα-helixtrans-60.7-36176.5-169.1178.1-178-177.70112.8R658 E659 H664 G665 E667R658-K662 WeakPolarHBondContact O-CB 3.41Å; R658-K662 PolarHBondContact O-N 2.93Å; E659-K662 PolarHBondContact O-N 2.97Å; K662-H664 PolarHBondContact O-N 2.94Å; K662-H664 VanDerWaalsContact O-N 3.14Å; K662-G665 PolarHBondContact O-N 2.94Å; K662-E667 HydrophobicContact CB-CB 4.41Å
663K93.8Very high92.8Very high154 Ų15459 Ų5967%0.6729%0.291SS*.THydrogen-bonded Turntrans-59.5-23.4173.1-72172.7-174.7-176.40113.7E659 H660 F661E659-K663 WeakPolarHBondContact O-CG 3.43Å; E659-K663 PolarHBondContact O-N 3.4Å; H660-K663 PolarHBondContact O-N 3.43Å; F661-K663 VanDerWaalsContact C-N 3.3Å; F661-K663 PolarHBondContact O-N 2.96Å
664H93.3Very high92.8Very high66 Ų6656 Ų5631%0.30627%0.273SS..THydrogen-bonded Turntrans-105.27.3177.5-70.2-86.5000112.6S642 F643 H660 F661 K662 A666S642-H664 WeakPolarHBondContact CB-O 3.35Å; S642-H664 PolarHBondContact O-ND1 3.44Å; S642-H664 PolarHBondContact OG-O 2.97Å; F643-H664 HydrophobicContact CD1-CB 4.07Å; F643-H664 AromaticContact CD1-CD2 3.88Å; F643-H664 AromaticContact CD1-CE1 3.92Å; F643-H664 AromaticContact CD1-CG 3.6Å; F643-H664 AromaticContact CD1-ND1 3.63Å; F643-H664 HydrophobicContact CE1-CB 3.54Å; F643-H664 AromaticContact CE1-CD2 3.59Å; F643-H664 AromaticContact CE1-CG 3.41Å; F643-H664 VanDerWaalsContact CE1-CG 3.41Å; F643-H664 AromaticContact CE1-ND1 3.95Å; F643-H664 HydrophobicContact CZ-CB 3.83Å; H660-H664 PolarHBondContact O-CD2 3.05Å; F661-H664 CarbonylContact O-C 3.48Å; F661-H664 WeakPolarHBondContact O-CA 3.36Å; F661-H664 PolarHBondContact O-N 3.36Å; K662-H664 PolarHBondContact O-N 2.94Å; K662-H664 VanDerWaalsContact O-N 3.14Å; H664-A666 VanDerWaalsContact C-N 3.26Å; H664-A666 HydrophobicContact CB-CB 4.34Å; H664-A666 PolarHBondContact O-N 3.34Å
665G93.1Very high92.8Very high47 Ų4755.4 Ų55.449%0.48527%0.274SS..THydrogen-bonded Turntrans6035.9-175.600000113.1F661 K662 H668F661-G665 PolarHBondContact O-N 3.43Å; K662-G665 PolarHBondContact O-N 2.94Å; G665-H668 PolarHBondContact O-CE1 2.91Å
666A94.2Very high92.7Very high0 Ų052.6 Ų52.60%026%0.257CS..  trans-131.422.7-168.800000112.8F643 F661 H664 H668 Y669F643-A666 HydrophobicContact CE2-CB 3.9Å; F643-A666 HydrophobicContact CZ-CB 3.7Å; F661-A666 HydrophobicContact CD1-CB 4.09Å; F661-A666 WeakPolarHBondContact CD1-O 3.38Å; F661-A666 PolarHBondContact O-N 3.43Å; H664-A666 VanDerWaalsContact C-N 3.26Å; H664-A666 HydrophobicContact CB-CB 4.34Å; H664-A666 PolarHBondContact O-N 3.34Å; A666-H668 PolarHBondContact O-N 3.47Å; A666-Y669 HydrophobicContact CB-CD2 3.74Å; A666-Y669 HydrophobicContact CB-CE2 3.87Å; A666-Y669 PolarHBondContact O-N 3.45Å
667E93.4Very high92.4Very high64 Ų6448.6 Ų48.630%0.29924%0.24SC..Hα-helixtrans-61.1-31.1-177.866.1-81.8-167.300113.3R658 K662 Y669 W670 D671R658-E667 HydrophobicContact CG-CB 4.4Å; K662-E667 HydrophobicContact CB-CB 4.41Å; E667-Y669 PolarHBondContact O-N 3.18Å; E667-W670 WeakPolarHBondContact O-CB 3.47Å; E667-W670 PolarHBondContact O-N 3.08Å; E667-D671 PolarHBondContact O-N 3.28Å
668H93.4Very high92Very high93 Ų9349 Ų4943%0.43124%0.242SC..Hα-helixtrans-61-30.8178.251.8-73.8000112.8G665 A666 W670 L672G665-H668 PolarHBondContact O-CE1 2.91Å; A666-H668 PolarHBondContact O-N 3.47Å; H668-W670 VanDerWaalsContact C-N 3.35Å; H668-L672 WeakPolarHBondContact O-CB 3.18Å; H668-L672 PolarHBondContact O-N 2.91Å
669Y94.7Very high91.5Very high12 Ų1248.3 Ų48.35%0.04725%0.246CC..Hα-helixtrans-68.4-36.3175.3-57.6-36.2000112.4I543 V545 V583 W634 A666 E667 A673I543-Y669 HydrophobicContact CD1-CE2 4.47Å; I543-Y669 VanDerWaalsContact CD1-OH 3.29Å; I543-Y669 WeakPolarHBondContact CD1-OH 3.42Å; I543-Y669 HydrophobicContact CG2-CE2 4.4Å; V545-Y669 HydrophobicContact CG2-CD1 3.82Å; V545-Y669 HydrophobicContact CG2-CD2 4.39Å; V545-Y669 HydrophobicContact CG2-CE1 4.44Å; V545-Y669 HydrophobicContact CG2-CG 3.82Å; V583-Y669 HydrophobicContact CG1-CD2 4.09Å; V583-Y669 HydrophobicContact CG1-CE2 4.39Å; V583-Y669 HydrophobicContact CG2-CD2 4.37Å; W634-Y669 HydrophobicContact CD2-CE1 4.42Å; W634-Y669 HydrophobicContact CE3-CD1 4.11Å; W634-Y669 AromaticContact CE3-CE1 3.61Å; W634-Y669 HydrophobicContact CE3-CE1 3.61Å; W634-Y669 HydrophobicContact CH2-CE1 4.03Å; W634-Y669 HydrophobicContact CZ3-CD1 4.29Å; W634-Y669 AromaticContact CZ3-CE1 3.36Å; W634-Y669 HydrophobicContact CZ3-CE1 3.36Å; W634-Y669 AromaticContact CZ3-CZ 3.81Å; A666-Y669 HydrophobicContact CB-CD2 3.74Å; A666-Y669 HydrophobicContact CB-CE2 3.87Å; A666-Y669 PolarHBondContact O-N 3.45Å; E667-Y669 PolarHBondContact O-N 3.18Å; Y669-A673 WeakPolarHBondContact O-CB 3.29Å; Y669-A673 PolarHBondContact O-N 3.33Å; Y669-A673 VanDerWaalsContact O-N 3.15Å
670W94.4Very high90.7Very high1 Ų147.2 Ų47.20%0.00424%0.241CC..Hα-helixtrans-71.5-48.9176.4173.3-98.7000110.9V574 H576 V579 V581 E654 A657 F661 E667 H668 L672 A673 L674V574-W670 HydrophobicContact CG1-CZ3 4.08Å; H576-W670 HydrophobicContact CB-CH2 3.75Å; H576-W670 HydrophobicContact CB-CZ3 4.44Å; H576-W670 AromaticContact CG-CH2 3.94Å; V579-W670 HydrophobicContact CG1-CH2 4.17Å; V581-W670 HydrophobicContact CB-CE3 4.16Å; V581-W670 HydrophobicContact CB-CZ3 4.26Å; V581-W670 HydrophobicContact CG2-CE3 3.6Å; V581-W670 HydrophobicContact CG2-CZ3 3.58Å; E654-W670 HydrophobicContact CB-CZ2 4.26Å; E654-W670 HydrophobicContact CG-CZ2 4.38Å; A657-W670 HydrophobicContact CB-CD2 3.88Å; A657-W670 HydrophobicContact CB-CE3 3.98Å; A657-W670 HydrophobicContact CB-CH2 3.62Å; A657-W670 HydrophobicContact CB-CZ2 3.49Å; A657-W670 VanDerWaalsContact CB-CZ2 3.49Å; A657-W670 HydrophobicContact CB-CZ3 3.85Å; F661-W670 HydrophobicContact CB-CB 4.35Å; F661-W670 HydrophobicContact CD2-CB 3.6Å; F661-W670 HydrophobicContact CD2-CD2 4.37Å; F661-W670 HydrophobicContact CD2-CE3 4.25Å; F661-W670 HydrophobicContact CD2-CG 4.12Å; F661-W670 HydrophobicContact CE2-CB 4.03Å; F661-W670 HydrophobicContact CE2-CD2 4.38Å; F661-W670 AromaticContact CE2-CE3 3.83Å; F661-W670 HydrophobicContact CE2-CE3 3.83Å; F661-W670 HydrophobicContact CE2-CG 4.49Å; F661-W670 HydrophobicContact CG-CB 3.99Å; E667-W670 WeakPolarHBondContact O-CB 3.47Å; E667-W670 PolarHBondContact O-N 3.08Å; H668-W670 VanDerWaalsContact C-N 3.35Å; W670-L672 VanDerWaalsContact C-N 3.3Å; W670-L672 PolarHBondContact O-N 3Å; W670-A673 PolarHBondContact O-N 3.26Å; W670-L674 HydrophobicContact CZ2-CD1 4.42Å; W670-L674 HydrophobicContact CZ2-CD2 4.26Å; W670-L674 WeakPolarHBondContact O-CB 3.27Å; W670-L674 PolarHBondContact O-N 3.04Å
671D92.2Very high89.6Confident39 Ų3949.4 Ų49.421%0.20926%0.26CS..Hα-helixtrans-61.2-40.1-178.4-68.1-11.1000110.7R658 E667 S675R658-D671 WeakPolarHBondContact CD-OD1 2.99Å; R658-D671 IonicContact CZ-OD1 3.95Å; R658-D671 IonicContact CZ-OD2 2.79Å; R658-D671 IonicContact NE-OD1 3.02Å; R658-D671 PolarHBondContact NE-OD1 3.02Å; R658-D671 IonicContact NE-OD2 2.8Å; R658-D671 PolarHBondContact NE-OD2 3.46Å; R658-D671 IonicContact NH2-OD2 3.36Å; R658-D671 PolarHBondContact NH2-OD2 3.16Å; E667-D671 PolarHBondContact O-N 3.28Å; D671-S675 VanDerWaalsContact O-CB 3.26Å; D671-S675 WeakPolarHBondContact O-CB 3.07Å; D671-S675 PolarHBondContact O-N 3.42Å; D671-S675 PolarHBondContact O-OG 2.86Å
672L92.9Very high88.1Confident58 Ų5852.1 Ų52.130%0.30428%0.277SS..Hα-helixtrans-64.6-50.5174.1-177.664.9000112.5V633 W634 H668 W670 L674 S675 E676V633-L672 HydrophobicContact CG1-CD2 3.82Å; V633-L672 HydrophobicContact CG1-CG 3.75Å; W634-L672 HydrophobicContact CB-CD2 3.99Å; W634-L672 HydrophobicContact CG-CD2 4.39Å; H668-L672 WeakPolarHBondContact O-CB 3.18Å; H668-L672 PolarHBondContact O-N 2.91Å; W670-L672 VanDerWaalsContact C-N 3.3Å; W670-L672 PolarHBondContact O-N 3Å; L672-L674 VanDerWaalsContact C-N 3.3Å; L672-L674 PolarHBondContact O-N 3.1Å; L672-S675 WeakPolarHBondContact CA-OG 3.21Å; L672-S675 PolarHBondContact O-N 2.86Å; L672-S675 PolarHBondContact O-OG 3.38Å; L672-E676 HydrophobicContact CD1-CG 4.3Å; L672-E676 WeakPolarHBondContact CD1-OE1 3.38Å; L672-E676 WeakPolarHBondContact O-CG 3.48Å; L672-E676 PolarHBondContact O-N 3.35Å; L672-E676 VanDerWaalsContact O-N 3.1Å
673A92.9Very high86Confident0 Ų054.4 Ų54.40%030%0.295CS..Hα-helixtrans-65.3-35.4-178.700000112.5V581 V633 Y669 W670 S677V581-A673 HydrophobicContact CG1-CB 4.21Å; V581-A673 HydrophobicContact CG2-CB 3.63Å; V633-A673 HydrophobicContact CG1-CB 4.31Å; V633-A673 HydrophobicContact CG2-CB 4.28Å; Y669-A673 WeakPolarHBondContact O-CB 3.29Å; Y669-A673 PolarHBondContact O-N 3.33Å; Y669-A673 VanDerWaalsContact O-N 3.15Å; W670-A673 PolarHBondContact O-N 3.26Å; A673-S677 VanDerWaalsContact O-CB 3.28Å; A673-S677 WeakPolarHBondContact O-CB 3.19Å; A673-S677 PolarHBondContact O-N 3.06Å; A673-S677 PolarHBondContact O-OG 3.3Å
674L90.8Very high85.6Confident8 Ų849.5 Ų49.54%0.04228%0.276CS..Hα-helixtrans-70.6-50.5177.2-179.763.4000111.3I373 V579 E654 W670 L672 E676 S677 V678I373-L674 HydrophobicContact CD1-CD2 4.34Å; I373-L674 HydrophobicContact CD1-CG 4.1Å; I373-L674 HydrophobicContact CG1-CD2 4.12Å; I373-L674 HydrophobicContact CG1-CG 4.35Å; V579-L674 HydrophobicContact CG1-CD1 4Å; E654-L674 HydrophobicContact CB-CD2 4.39Å; E654-L674 HydrophobicContact CG-CD2 4.4Å; W670-L674 HydrophobicContact CZ2-CD1 4.42Å; W670-L674 HydrophobicContact CZ2-CD2 4.26Å; W670-L674 WeakPolarHBondContact O-CB 3.27Å; W670-L674 PolarHBondContact O-N 3.04Å; L672-L674 VanDerWaalsContact C-N 3.3Å; L672-L674 PolarHBondContact O-N 3.1Å; L674-E676 PolarHBondContact O-N 3.44Å; L674-S677 PolarHBondContact O-N 3Å; L674-S677 VanDerWaalsContact O-N 3.13Å; L674-S677 PolarHBondContact O-OG 2.96Å; L674-V678 HydrophobicContact CD1-CG2 4.47Å; L674-V678 PolarHBondContact O-N 3.35Å
675S88.3Confident85.2Confident38 Ų3848.6 Ų48.627%0.26628%0.275SS..Hα-helixtrans-58.4-49.918052.80000111.9D671 L672 S677 V678 L679D671-S675 VanDerWaalsContact O-CB 3.26Å; D671-S675 WeakPolarHBondContact O-CB 3.07Å; D671-S675 PolarHBondContact O-N 3.42Å; D671-S675 PolarHBondContact O-OG 2.86Å; L672-S675 WeakPolarHBondContact CA-OG 3.21Å; L672-S675 PolarHBondContact O-N 2.86Å; L672-S675 PolarHBondContact O-OG 3.38Å; S675-S677 VanDerWaalsContact C-N 3.27Å; S675-S677 PolarHBondContact O-N 2.85Å; S675-V678 PolarHBondContact O-N 3.27Å; S675-V678 VanDerWaalsContact O-N 3.15Å; S675-L679 WeakPolarHBondContact O-CG 3.47Å; S675-L679 PolarHBondContact O-N 3.44Å
676E87.6Confident84.8Confident61 Ų6148.7 Ų48.729%0.28526%0.263SS..Hα-helixtrans-63.3-32.1176.4-69-178.5-163.300113.1R547 L672 L674 V678 E680R547-E676 IonicContact CZ-OE2 3.92Å; R547-E676 IonicContact NH1-OE2 3.03Å; R547-E676 PolarHBondContact NH1-OE2 2.94Å; L672-E676 HydrophobicContact CD1-CG 4.3Å; L672-E676 WeakPolarHBondContact CD1-OE1 3.38Å; L672-E676 WeakPolarHBondContact O-CG 3.48Å; L672-E676 PolarHBondContact O-N 3.35Å; L672-E676 VanDerWaalsContact O-N 3.1Å; L674-E676 PolarHBondContact O-N 3.44Å; E676-V678 VanDerWaalsContact C-N 3.33Å; E676-E680 WeakPolarHBondContact O-CB 3.3Å; E676-E680 PolarHBondContact O-N 3.18Å
677S85.8Confident84.2Confident22 Ų2251.5 Ų51.515%0.15428%0.279CS..Hα-helixtrans-69.9-32176.875.30000112.8A673 L674 S675 S681A673-S677 VanDerWaalsContact O-CB 3.28Å; A673-S677 WeakPolarHBondContact O-CB 3.19Å; A673-S677 PolarHBondContact O-N 3.06Å; A673-S677 PolarHBondContact O-OG 3.3Å; L674-S677 PolarHBondContact O-N 3Å; L674-S677 VanDerWaalsContact O-N 3.13Å; L674-S677 PolarHBondContact O-OG 2.96Å; S675-S677 VanDerWaalsContact C-N 3.27Å; S675-S677 PolarHBondContact O-N 2.85Å; S677-S681 PolarHBondContact O-N 2.86Å
678V82.6Confident83.6Confident9 Ų950.8 Ų50.86%0.05528%0.277CS..Hα-helixtrans-77.3-40.3176.5173.80000110.6L370 I373 L674 S675 E676 S681 T682L370-V678 HydrophobicContact CD2-CG1 3.74Å; L370-V678 HydrophobicContact CG-CG1 4.29Å; I373-V678 HydrophobicContact CD1-CB 3.96Å; I373-V678 HydrophobicContact CD1-CG1 4.14Å; I373-V678 HydrophobicContact CD1-CG2 3.37Å; L674-V678 HydrophobicContact CD1-CG2 4.47Å; L674-V678 PolarHBondContact O-N 3.35Å; S675-V678 PolarHBondContact O-N 3.27Å; S675-V678 VanDerWaalsContact O-N 3.15Å; E676-V678 VanDerWaalsContact C-N 3.33Å; V678-S681 WeakPolarHBondContact O-CB 3.48Å; V678-S681 PolarHBondContact O-N 3.05Å; V678-S681 VanDerWaalsContact O-N 3.08Å; V678-T682 WeakPolarHBondContact O-CG2 3.44Å; V678-T682 PolarHBondContact O-N 3.02Å; V678-T682 VanDerWaalsContact O-N 3.13Å; V678-T682 PolarHBondContact O-OG1 3.12Å
679L81.6Confident83Confident87 Ų8747.9 Ų47.946%0.45527%0.267SS..Hα-helixtrans-59.4-46.6173.6-68.7173.4000111.9L370 S675 S681 T682 D683L370-L679 HydrophobicContact CD2-CD2 4.18Å; S675-L679 WeakPolarHBondContact O-CG 3.47Å; S675-L679 PolarHBondContact O-N 3.44Å; L679-S681 PolarHBondContact O-N 2.8Å; L679-T682 WeakPolarHBondContact CA-OG1 3.33Å; L679-T682 PolarHBondContact O-N 2.96Å; L679-T682 PolarHBondContact O-OG1 2.96Å; L679-D683 PolarHBondContact O-N 2.88Å
680E78.4Confident82.2Confident67 Ų6750.5 Ų50.531%0.31328%0.283SS..Hα-helixtrans-63.9-21.9175.5176.3172.9-145.600113.5R547 K629 E676R547-E680 IonicContact CZ-OE2 2.81Å; R547-E680 IonicContact NE-OE2 3.38Å; R547-E680 PolarHBondContact NE-OE2 2.83Å; R547-E680 IonicContact NH2-OE2 3.78Å; R547-E680 PolarHBondContact NH2-OE2 3.18Å; K629-E680 WeakPolarHBondContact CE-OE1 3.36Å; K629-E680 IonicContact NZ-OE1 3.95Å; K629-E680 PolarHBondContact NZ-OE1 3.07Å; E676-E680 WeakPolarHBondContact O-CB 3.3Å; E676-E680 PolarHBondContact O-N 3.18Å
681S68.7Low81.2Confident83 Ų8354.3 Ų54.358%0.5831%0.305SS*.Hα-helixtrans-86.3-16.3175.4-172.50000113S677 V678 L679S677-S681 PolarHBondContact O-N 2.86Å; V678-S681 WeakPolarHBondContact O-CB 3.48Å; V678-S681 PolarHBondContact O-N 3.05Å; V678-S681 VanDerWaalsContact O-N 3.08Å; L679-S681 PolarHBondContact O-N 2.8Å
682T63.7Low80.3Confident57 Ų5755.6 Ų55.635%0.3531%0.312SS..Hα-helixtrans-95.6-30.2179.250.20000112.8T366 V678 L679T366-T682 HydrophobicContact CG2-CG2 3.86Å; V678-T682 WeakPolarHBondContact O-CG2 3.44Å; V678-T682 PolarHBondContact O-N 3.02Å; V678-T682 VanDerWaalsContact O-N 3.13Å; V678-T682 PolarHBondContact O-OG1 3.12Å; L679-T682 WeakPolarHBondContact CA-OG1 3.33Å; L679-T682 PolarHBondContact O-N 2.96Å; L679-T682 PolarHBondContact O-OG1 2.96Å
683D50.3Low79.1Confident177 Ų17755.4 Ų55.495%0.94731%0.313SS*.  trans-74.80168.2-61.7-24.6000111.1L679L679-D683 PolarHBondContact O-N 2.88Å

Retrieved 683 of 683 residues in 219.7 ms (Link to these results)

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