A0A077ZJ13_TRITR Loading...

Reverse transcriptase domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZJ13, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 96 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
1M58.9Low79.2Confident103 Ų10378.8 Ų78.851%0.50742%0.419SS..  0-590-98.6-155.3172.300114.9K3 A4 Y5 F43 M47 F61M1-K3 PolarHBondContact O-N 3.2Å; M1-K3 VanDerWaalsContact O-N 3.07Å; M1-A4 VanDerWaalsContact O-CB 3.23Å; M1-A4 WeakPolarHBondContact O-CB 3.28Å; M1-A4 PolarHBondContact O-N 2.97Å; M1-Y5 PolarHBondContact SD-OH 3.39Å; M1-F43 HydrophobicContact CE-CD1 3.72Å; M1-F43 HydrophobicContact CE-CE1 3.93Å; M1-M47 HydrophobicContact CE-CE 4.29Å; M1-F61 WeakPolarHBondContact CE-O 3.47Å
2A66Low79.7Confident50 Ų5083.7 Ų83.741%0.41345%0.446SS..Hα-helixtrans-43.4-50.3-170.200000115.8A4 Y5 F34A2-A4 PolarHBondContact O-N 2.77Å; A2-A4 VanDerWaalsContact O-N 3.09Å; A2-Y5 PolarHBondContact O-N 3.4Å; A2-Y5 VanDerWaalsContact O-N 3.11Å; A2-F34 VanDerWaalsContact C-CE1 3.41Å; A2-F34 VanDerWaalsContact CA-CE1 3.45Å; A2-F34 HydrophobicContact CB-CD1 3.99Å; A2-F34 HydrophobicContact CB-CE1 3.27Å; A2-F34 HydrophobicContact CB-CZ 3.83Å; A2-F34 WeakPolarHBondContact O-CE1 3.4Å; A2-F34 WeakPolarHBondContact O-CZ 3.48Å
3K77.2Confident80.2Confident180 Ų18087.2 Ų87.278%0.78346%0.464SS*.Hα-helixtrans-59.7-24.3179.3-66.5-178-179.8178.10114.6M1 L6M1-K3 PolarHBondContact O-N 3.2Å; M1-K3 VanDerWaalsContact O-N 3.07Å; K3-L6 PolarHBondContact O-N 2.97Å
4A78.8Confident80.5Confident22 Ų2284 Ų8418%0.18245%0.453CS..Hα-helixtrans-72.1-31.5178.900000112.2M1 A2 L6 Q7 F43M1-A4 VanDerWaalsContact O-CB 3.23Å; M1-A4 WeakPolarHBondContact O-CB 3.28Å; M1-A4 PolarHBondContact O-N 2.97Å; A2-A4 PolarHBondContact O-N 2.77Å; A2-A4 VanDerWaalsContact O-N 3.09Å; A4-L6 PolarHBondContact O-N 3.08Å; A4-Q7 VanDerWaalsContact O-CB 3.31Å; A4-Q7 WeakPolarHBondContact O-CB 3.46Å; A4-Q7 PolarHBondContact O-N 2.62Å; A4-F43 HydrophobicContact CB-CE2 3.56Å; A4-F43 HydrophobicContact CB-CZ 3.64Å
5Y78.7Confident80.9Confident25 Ų2579.1 Ų79.110%0.09843%0.427CS..Hα-helixtrans-62.5-30.8175.2-59.3-32.2000112.2M1 A2 Q7 L8 F34 A39 F43M1-Y5 PolarHBondContact SD-OH 3.39Å; A2-Y5 PolarHBondContact O-N 3.4Å; A2-Y5 VanDerWaalsContact O-N 3.11Å; Y5-Q7 PolarHBondContact O-N 3.3Å; Y5-L8 WeakPolarHBondContact O-CB 3.41Å; Y5-L8 PolarHBondContact O-N 2.85Å; Y5-F34 HydrophobicContact CD2-CD1 4.37Å; Y5-F34 HydrophobicContact CD2-CE1 4.24Å; Y5-A39 HydrophobicContact CE2-CB 4.36Å; Y5-F43 HydrophobicContact CD1-CB 4.12Å; Y5-F43 AromaticContact CD1-CD2 3.96Å; Y5-F43 HydrophobicContact CD1-CD2 3.96Å; Y5-F43 HydrophobicContact CD1-CG 4.11Å; Y5-F43 HydrophobicContact CE1-CB 3.56Å; Y5-F43 HydrophobicContact CE1-CD1 4.26Å; Y5-F43 HydrophobicContact CE1-CD2 4.02Å; Y5-F43 AromaticContact CE1-CG 3.69Å; Y5-F43 HydrophobicContact CE1-CG 3.69Å
6L83.3Confident81Confident78 Ų7881.5 Ų81.541%0.40843%0.434SS..THydrogen-bonded Turntrans-69.2-10.7175.3-57.9177.7000113.5K3 A4 C31 F34K3-L6 PolarHBondContact O-N 2.97Å; A4-L6 PolarHBondContact O-N 3.08Å; L6-C31 VanDerWaalsContact O-CB 3.29Å; L6-C31 WeakPolarHBondContact O-CB 3.47Å; L6-C31 PolarHBondContact O-SG 3.38Å; L6-F34 HydrophobicContact CD1-CE2 4.21Å; L6-F34 HydrophobicContact CD1-CZ 4Å; L6-F34 HydrophobicContact CD2-CE2 4.13Å; L6-F34 HydrophobicContact CD2-CZ 4.13Å; L6-F34 HydrophobicContact CG-CE2 4.32Å; L6-F34 HydrophobicContact CG-CZ 3.92Å
7Q83.8Confident81.2Confident158 Ų15882.1 Ų82.174%0.73845%0.454SS*.THydrogen-bonded Turntrans-86.6-11.3172.8-56.6-177.75.500112.5A4 Y5 P9A4-Q7 VanDerWaalsContact O-CB 3.31Å; A4-Q7 WeakPolarHBondContact O-CB 3.46Å; A4-Q7 PolarHBondContact O-N 2.62Å; Y5-Q7 PolarHBondContact O-N 3.3Å; Q7-P9 VanDerWaalsContact O-CD 3.26Å; Q7-P9 WeakPolarHBondContact O-CD 3.23Å
8L83.8Confident81.5Confident27 Ų2778.7 Ų78.714%0.14143%0.434CS..SBendtrans-90.9109.6-179.5-62.3-176.3000110.2Y5 C31 L32 I42 F43 I46Y5-L8 WeakPolarHBondContact O-CB 3.41Å; Y5-L8 PolarHBondContact O-N 2.85Å; L8-C31 VanDerWaalsContact O-CA 3.23Å; L8-C31 WeakPolarHBondContact O-CA 3.5Å; L8-L32 HydrophobicContact CB-CB 4.31Å; L8-L32 HydrophobicContact CD1-CD2 4.18Å; L8-L32 PolarHBondContact O-N 3.04Å; L8-I42 HydrophobicContact CD1-CG2 4.26Å; L8-F43 HydrophobicContact CD1-CD2 4.07Å; L8-I46 HydrophobicContact CD1-CD1 3.72Å; L8-I46 HydrophobicContact CD2-CD1 3.36Å; L8-I46 HydrophobicContact CG-CD1 4.17Å
9P87.1Confident81.7Confident108 Ų10876.9 Ų76.970%0.70143%0.425SS*.BIsolated β-bridgetrans-66.4142.817129.2-33.3000109.5Q7 K30Q7-P9 VanDerWaalsContact O-CD 3.26Å; Q7-P9 WeakPolarHBondContact O-CD 3.23Å; P9-K30 WeakPolarHBondContact CA-O 3.33Å
10V86.7Confident82Confident30 Ų3077 Ų7718%0.18242%0.424CS..  trans-109.6153.3174.8-69.40000110.1V15 K30 L32V10-V15 HydrophobicContact CG2-CG2 3.57Å; V10-K30 VanDerWaalsContact CG2-O 3.25Å; V10-K30 WeakPolarHBondContact CG2-O 3.33Å; V10-K30 PolarHBondContact N-O 2.88Å; V10-L32 HydrophobicContact CG1-CB 3.97Å; V10-L32 HydrophobicContact CG1-CD1 4.01Å
11D86.5Confident82.3Confident86 Ų8680.1 Ų80.146%0.4644%0.439SS..  trans-66.9161.1175.470.2-81.3000111.5N13 S14 V15D11-N13 VanDerWaalsContact C-N 3.27Å; D11-N13 PolarHBondContact O-N 3.41Å; D11-N13 WeakPolarHBondContact OD2-CA 3.48Å; D11-N13 VanDerWaalsContact OD2-CB 3.28Å; D11-N13 WeakPolarHBondContact OD2-CB 3.4Å; D11-N13 PolarHBondContact OD2-N 3.27Å; D11-S14 WeakPolarHBondContact O-CB 3.42Å; D11-S14 PolarHBondContact O-N 3.2Å; D11-S14 VanDerWaalsContact O-N 3.11Å; D11-S14 VanDerWaalsContact OD1-CB 3.23Å; D11-S14 WeakPolarHBondContact OD1-CB 3.45Å; D11-S14 PolarHBondContact OD1-OG 3.21Å; D11-S14 PolarHBondContact OD2-N 3.48Å; D11-S14 VanDerWaalsContact OD2-N 3.08Å; D11-V15 WeakPolarHBondContact O-CG2 3.25Å; D11-V15 PolarHBondContact O-N 2.92Å
12N85.2Confident83.9Confident137 Ų13777.7 Ų77.773%0.73343%0.43SS*.Hα-helixtrans-59-33.8-174.8-70.3-32.9000113.7V15 E16N12-V15 WeakPolarHBondContact O-CB 3.34Å; N12-V15 PolarHBondContact O-N 3.11Å; N12-E16 WeakPolarHBondContact O-CG 3.43Å; N12-E16 PolarHBondContact O-N 2.7Å
13N86.6Confident85Confident129 Ų12983.5 Ų83.569%0.6945%0.448SS*.Hα-helixtrans-69.5-42.3179.5-57.9-24.3000109.9D11 V15 E16 A17D11-N13 VanDerWaalsContact C-N 3.27Å; D11-N13 PolarHBondContact O-N 3.41Å; D11-N13 WeakPolarHBondContact OD2-CA 3.48Å; D11-N13 VanDerWaalsContact OD2-CB 3.28Å; D11-N13 WeakPolarHBondContact OD2-CB 3.4Å; D11-N13 PolarHBondContact OD2-N 3.27Å; N13-V15 VanDerWaalsContact C-N 3.28Å; N13-V15 PolarHBondContact O-N 3.2Å; N13-E16 PolarHBondContact O-N 3.06Å; N13-A17 PolarHBondContact O-N 3.32Å
14S83.8Confident85.7Confident43 Ų4384.6 Ų84.630%0.30145%0.447SS..Hα-helixtrans-63.9-32.1173.7-65.10000112.7D11 E16 A17 Q18D11-S14 WeakPolarHBondContact O-CB 3.42Å; D11-S14 PolarHBondContact O-N 3.2Å; D11-S14 VanDerWaalsContact O-N 3.11Å; D11-S14 VanDerWaalsContact OD1-CB 3.23Å; D11-S14 WeakPolarHBondContact OD1-CB 3.45Å; D11-S14 PolarHBondContact OD1-OG 3.21Å; D11-S14 PolarHBondContact OD2-N 3.48Å; D11-S14 VanDerWaalsContact OD2-N 3.08Å; S14-E16 VanDerWaalsContact C-N 3.32Å; S14-A17 PolarHBondContact O-N 3.26Å; S14-Q18 WeakPolarHBondContact O-CG 3.33Å; S14-Q18 PolarHBondContact O-N 3.25Å; S14-Q18 PolarHBondContact O-NE2 3.18Å
15V86.4Confident86.2Confident11 Ų1185.2 Ų85.27%0.06746%0.455CS..Hα-helixtrans-62.1-40.5173.6171.60000111.3V10 D11 N12 N13 Q18 T19 K28V10-V15 HydrophobicContact CG2-CG2 3.57Å; D11-V15 WeakPolarHBondContact O-CG2 3.25Å; D11-V15 PolarHBondContact O-N 2.92Å; N12-V15 WeakPolarHBondContact O-CB 3.34Å; N12-V15 PolarHBondContact O-N 3.11Å; N13-V15 VanDerWaalsContact C-N 3.28Å; N13-V15 PolarHBondContact O-N 3.2Å; V15-Q18 CarbonylContact O-C 3.6Å; V15-Q18 PolarHBondContact O-N 2.94Å; V15-T19 PolarHBondContact O-N 2.85Å; V15-T19 PolarHBondContact O-OG1 3.02Å; V15-K28 HydrophobicContact CG1-CB 3.64Å; V15-K28 HydrophobicContact CG1-CD 4.17Å; V15-K28 HydrophobicContact CG1-CG 4.23Å
16E83.8Confident86.7Confident117 Ų11787.3 Ų87.355%0.54748%0.478SS..Hα-helixtrans-66.4-43.4179.2-60.7-156.9142.300111.8N12 N13 S14 Q18 T19 K28N12-E16 WeakPolarHBondContact O-CG 3.43Å; N12-E16 PolarHBondContact O-N 2.7Å; N13-E16 PolarHBondContact O-N 3.06Å; S14-E16 VanDerWaalsContact C-N 3.32Å; E16-Q18 PolarHBondContact O-N 2.84Å; E16-T19 WeakPolarHBondContact O-CB 3.23Å; E16-T19 PolarHBondContact O-N 3.14Å; E16-T19 PolarHBondContact O-OG1 3.03Å; E16-K28 IonicContact OE1-NZ 2.85Å; E16-K28 PolarHBondContact OE1-NZ 3.01Å
17A84Confident86.9Confident92 Ų9289 Ų8976%0.7648%0.483SS*.Hα-helixtrans-60.9-25.2175.600000113.3N13 S14N13-A17 PolarHBondContact O-N 3.32Å; S14-A17 PolarHBondContact O-N 3.26Å
18Q85.6Confident87Confident21 Ų2187 Ų8710%0.09847%0.472CS..THydrogen-bonded Turntrans-96.98.9179.1-68.6172.888.900113S14 V15 E16 I20 Q33S14-Q18 WeakPolarHBondContact O-CG 3.33Å; S14-Q18 PolarHBondContact O-N 3.25Å; S14-Q18 PolarHBondContact O-NE2 3.18Å; V15-Q18 CarbonylContact O-C 3.6Å; V15-Q18 PolarHBondContact O-N 2.94Å; E16-Q18 PolarHBondContact O-N 2.84Å; Q18-I20 PolarHBondContact O-N 2.98Å; Q18-Q33 HydrophobicContact CB-CG 4.34Å; Q18-Q33 PolarHBondContact O-NE2 2.87Å
19T85.6Confident87Confident44 Ų4488 Ų8827%0.2748%0.478SS..PPolyproline II helixtrans-63.6121.4-179-54.30000110.8V15 E16 A26 F27 K28V15-T19 PolarHBondContact O-N 2.85Å; V15-T19 PolarHBondContact O-OG1 3.02Å; E16-T19 WeakPolarHBondContact O-CB 3.23Å; E16-T19 PolarHBondContact O-N 3.14Å; E16-T19 PolarHBondContact O-OG1 3.03Å; T19-A26 HydrophobicContact CG2-CB 3.96Å; T19-F27 WeakPolarHBondContact CA-O 3.26Å; T19-K28 HydrophobicContact CG2-CG 4.04Å
20I88.1Confident86.9Confident78 Ų7890.4 Ų90.440%0.448%0.478SS..EExtended strand (participates in β ladder)trans-94.5124.8176.5-56.6175000108.6Q18 T22 A26 F27Q18-I20 PolarHBondContact O-N 2.98Å; I20-T22 HydrophobicContact CG2-CG2 4.18Å; I20-A26 WeakPolarHBondContact O-CA 3.22Å; I20-F27 PolarHBondContact N-O 3.13Å; I20-F27 PolarHBondContact O-N 3.29Å
21I89.1Confident86.9Confident144 Ų14490.9 Ų90.974%0.73848%0.482SS*.EExtended strand (participates in β ladder)trans-89.3125.6171.5-56.6176.4000108.4
22T91Very high86.7Confident52 Ų5287.2 Ų87.232%0.31946%0.462SS..EExtended strand (participates in β ladder)trans-117.8165171.975.20000109I20 R24 G25 F27I20-T22 HydrophobicContact CG2-CG2 4.18Å; T22-R24 PolarHBondContact O-N 3.22Å; T22-R24 PolarHBondContact OG1-N 3.04Å; T22-R24 VanDerWaalsContact OG1-N 3.14Å; T22-G25 PolarHBondContact N-O 3.27Å; T22-G25 PolarHBondContact O-N 3.12Å; T22-G25 PolarHBondContact OG1-N 3.25Å; T22-G25 PolarHBondContact OG1-O 3.09Å; T22-F27 HydrophobicContact CG2-CD2 3.88Å; T22-F27 HydrophobicContact CG2-CE2 4.22Å; T22-F27 WeakPolarHBondContact OG1-CE2 3.29Å
23H90.7Very high86.5Confident172 Ų17282.3 Ų82.380%0.79644%0.435SS*.THydrogen-bonded Turntrans-57.3-17.7170.869.6-83.1000113.6
24R90.7Very high85.9Confident203 Ų20381.8 Ų81.877%0.76643%0.427SS*.THydrogen-bonded Turntrans-96.10.5178.3-55.7-169.5179.2177-4.3113.5T22T22-R24 PolarHBondContact O-N 3.22Å; T22-R24 PolarHBondContact OG1-N 3.04Å; T22-R24 VanDerWaalsContact OG1-N 3.14Å
25G90.7Very high85.7Confident34 Ų3483.7 Ų83.735%0.35145%0.453SS..EExtended strand (participates in β ladder)trans125.3-179.9-177.200000113.6T22 F27T22-G25 PolarHBondContact N-O 3.27Å; T22-G25 PolarHBondContact O-N 3.12Å; T22-G25 PolarHBondContact OG1-N 3.25Å; T22-G25 PolarHBondContact OG1-O 3.09Å; G25-F27 WeakPolarHBondContact O-CD2 3.48Å
26A88.2Confident85.4Confident70 Ų7085.3 Ų85.358%0.57946%0.463SS*.EExtended strand (participates in β ladder)trans-90.9128-179.600000111.1T19 I20T19-A26 HydrophobicContact CG2-CB 3.96Å; I20-A26 WeakPolarHBondContact O-CA 3.22Å
27F87.4Confident85.3Confident114 Ų11485 Ų8550%0.547%0.474SS..EExtended strand (participates in β ladder)trans-115.4122-179.8-68.9-88.1000110.3T19 I20 T22 G25T19-F27 WeakPolarHBondContact CA-O 3.26Å; I20-F27 PolarHBondContact N-O 3.13Å; I20-F27 PolarHBondContact O-N 3.29Å; T22-F27 HydrophobicContact CG2-CD2 3.88Å; T22-F27 HydrophobicContact CG2-CE2 4.22Å; T22-F27 WeakPolarHBondContact OG1-CE2 3.29Å; G25-F27 WeakPolarHBondContact O-CD2 3.48Å
28K86.6Confident85.3Confident116 Ų11685.9 Ų85.950%0.50447%0.465SS..  trans-93.6114.4176.1-70.7-167.8178-169.40109.3V15 E16 T19V15-K28 HydrophobicContact CG1-CB 3.64Å; V15-K28 HydrophobicContact CG1-CD 4.17Å; V15-K28 HydrophobicContact CG1-CG 4.23Å; E16-K28 IonicContact OE1-NZ 2.85Å; E16-K28 PolarHBondContact OE1-NZ 3.01Å; T19-K28 HydrophobicContact CG2-CG 4.04Å
29V84Confident85.3Confident46 Ų4685 Ų8528%0.27946%0.461SS..  trans-91.2128.6176.8-175.40000109C31 Q33V29-C31 WeakPolarHBondContact CG1-O 3.31Å; V29-Q33 HydrophobicContact CB-CG 3.99Å; V29-Q33 VanDerWaalsContact CB-NE2 3.25Å; V29-Q33 HydrophobicContact CG1-CG 4.03Å; V29-Q33 HydrophobicContact CG2-CG 4.27Å
30K85.2Confident85.2Confident159 Ų15985.6 Ų85.669%0.69147%0.466SS*.SBendtrans-86.9-5-176.6-62.8-173.5179-1790114.5P9 V10P9-K30 WeakPolarHBondContact CA-O 3.33Å; V10-K30 VanDerWaalsContact CG2-O 3.25Å; V10-K30 WeakPolarHBondContact CG2-O 3.33Å; V10-K30 PolarHBondContact N-O 2.88Å
31C85.7Confident85.1Confident40 Ų4084.2 Ų84.227%0.2747%0.47SS..BIsolated β-bridgetrans-118157.6179.4-53.10000110.1L6 L8 V29 Q33L6-C31 VanDerWaalsContact O-CB 3.29Å; L6-C31 WeakPolarHBondContact O-CB 3.47Å; L6-C31 PolarHBondContact O-SG 3.38Å; L8-C31 VanDerWaalsContact O-CA 3.23Å; L8-C31 WeakPolarHBondContact O-CA 3.5Å; V29-C31 WeakPolarHBondContact CG1-O 3.31Å; C31-Q33 PolarHBondContact O-N 3.48Å; C31-Q33 VanDerWaalsContact O-N 3.13Å
32L83.2Confident85Confident10 Ų1080.2 Ų80.25%0.05245%0.45CS..PPolyproline II helixtrans-60.1116.1-177.4-17164.4000111.4L8 V10 V36 A39L8-L32 HydrophobicContact CB-CB 4.31Å; L8-L32 HydrophobicContact CD1-CD2 4.18Å; L8-L32 PolarHBondContact O-N 3.04Å; V10-L32 HydrophobicContact CG1-CB 3.97Å; V10-L32 HydrophobicContact CG1-CD1 4.01Å; L32-V36 HydrophobicContact CD1-CB 4.21Å; L32-V36 HydrophobicContact CD1-CG1 4.23Å; L32-V36 HydrophobicContact CD1-CG2 4.02Å; L32-A39 HydrophobicContact CD2-CB 3.6Å; L32-A39 HydrophobicContact CG-CB 4.27Å
33Q79.3Confident84.7Confident34 Ų3479.2 Ų79.216%0.15944%0.441CS..PPolyproline II helixtrans-77.4161.5178.5-70.8-17216.500112.7Q18 V29 C31Q18-Q33 HydrophobicContact CB-CG 4.34Å; Q18-Q33 PolarHBondContact O-NE2 2.87Å; V29-Q33 HydrophobicContact CB-CG 3.99Å; V29-Q33 VanDerWaalsContact CB-NE2 3.25Å; V29-Q33 HydrophobicContact CG1-CG 4.03Å; V29-Q33 HydrophobicContact CG2-CG 4.27Å; C31-Q33 PolarHBondContact O-N 3.48Å; C31-Q33 VanDerWaalsContact O-N 3.13Å
34F75.4Confident84.5Confident117 Ų11773.1 Ų73.151%0.51341%0.413SS..THydrogen-bonded Turntrans-66.2145.4171.6-57.8-60.5000111.8A2 Y5 L6A2-F34 VanDerWaalsContact C-CE1 3.41Å; A2-F34 VanDerWaalsContact CA-CE1 3.45Å; A2-F34 HydrophobicContact CB-CD1 3.99Å; A2-F34 HydrophobicContact CB-CE1 3.27Å; A2-F34 HydrophobicContact CB-CZ 3.83Å; A2-F34 WeakPolarHBondContact O-CE1 3.4Å; A2-F34 WeakPolarHBondContact O-CZ 3.48Å; Y5-F34 HydrophobicContact CD2-CD1 4.37Å; Y5-F34 HydrophobicContact CD2-CE1 4.24Å; L6-F34 HydrophobicContact CD1-CE2 4.21Å; L6-F34 HydrophobicContact CD1-CZ 4Å; L6-F34 HydrophobicContact CD2-CE2 4.13Å; L6-F34 HydrophobicContact CD2-CZ 4.13Å; L6-F34 HydrophobicContact CG-CE2 4.32Å; L6-F34 HydrophobicContact CG-CZ 3.92Å
35G79.8Confident84.4Confident83 Ų8369.2 Ų69.286%0.85640%0.403SS*.THydrogen-bonded Turntrans95.1-4.2176.500000115S37G35-S37 PolarHBondContact O-N 2.97Å
36V80.1Confident84.3Confident45 Ų4571 Ų7127%0.27340%0.404SS..  trans-71.9114.6170.71790000109.1L32 I38 A39L32-V36 HydrophobicContact CD1-CB 4.21Å; L32-V36 HydrophobicContact CD1-CG1 4.23Å; L32-V36 HydrophobicContact CD1-CG2 4.02Å; V36-I38 HydrophobicContact CG1-CD1 4.41Å; V36-I38 HydrophobicContact CG1-CG1 3.5Å; V36-I38 VanDerWaalsContact CG1-CG1 3.5Å; V36-I38 PolarHBondContact O-N 3.27Å; V36-A39 HydrophobicContact CB-CB 4.11Å; V36-A39 HydrophobicContact CG1-CB 4.37Å; V36-A39 WeakPolarHBondContact O-CB 3.22Å; V36-A39 PolarHBondContact O-N 3.18Å; V36-A39 VanDerWaalsContact O-N 3.09Å
37S82.3Confident84.3Confident112 Ų11269 Ų6978%0.78338%0.384SS*.THydrogen-bonded Turntrans-61.2-31.5-175.356.60000113.4G35 P40G35-S37 PolarHBondContact O-N 2.97Å; S37-P40 WeakPolarHBondContact O-CD 3.36Å
38I84Confident84.4Confident110 Ų11066.9 Ų66.956%0.56438%0.377SS*.THydrogen-bonded Turntrans-83.8-8.6179.463.6169.5000113.6V36 P40 G41 I42V36-I38 HydrophobicContact CG1-CD1 4.41Å; V36-I38 HydrophobicContact CG1-CG1 3.5Å; V36-I38 VanDerWaalsContact CG1-CG1 3.5Å; V36-I38 PolarHBondContact O-N 3.27Å; I38-P40 VanDerWaalsContact C-CD 3.46Å; I38-G41 PolarHBondContact O-N 3.42Å; I38-I42 HydrophobicContact CD1-CD1 3.85Å; I38-I42 HydrophobicContact CG1-CD1 3.95Å; I38-I42 PolarHBondContact O-N 3.13Å; I38-I42 VanDerWaalsContact O-N 3.12Å
39A83.6Confident84.6Confident3 Ų366.3 Ų66.33%0.02538%0.38CS..Hα-helixtrans-55.7-41.4-175.600000114.2Y5 L32 V36 G41 I42 F43Y5-A39 HydrophobicContact CE2-CB 4.36Å; L32-A39 HydrophobicContact CD2-CB 3.6Å; L32-A39 HydrophobicContact CG-CB 4.27Å; V36-A39 HydrophobicContact CB-CB 4.11Å; V36-A39 HydrophobicContact CG1-CB 4.37Å; V36-A39 WeakPolarHBondContact O-CB 3.22Å; V36-A39 PolarHBondContact O-N 3.18Å; V36-A39 VanDerWaalsContact O-N 3.09Å; A39-G41 VanDerWaalsContact C-N 3.3Å; A39-G41 PolarHBondContact O-N 3.11Å; A39-I42 PolarHBondContact O-N 3.32Å; A39-F43 WeakPolarHBondContact O-CB 3.42Å; A39-F43 PolarHBondContact O-N 3.17Å
40P83.6Confident84.7Confident56 Ų5667.5 Ų67.536%0.36439%0.394SS..Hα-helixtrans-61.4-38176.2-22.634.5000112.7S37 I38 F43 Q44S37-P40 WeakPolarHBondContact O-CD 3.36Å; I38-P40 VanDerWaalsContact C-CD 3.46Å; P40-F43 PolarHBondContact O-N 3.4Å; P40-Q44 WeakPolarHBondContact O-CB 3.42Å; P40-Q44 PolarHBondContact O-N 3.39Å
41G87.3Confident84.7Confident48 Ų4860.8 Ų60.850%0.49537%0.366SS..Hα-helixtrans-68-42179.100000112.5I38 A39 Q44 Q45I38-G41 PolarHBondContact O-N 3.42Å; A39-G41 VanDerWaalsContact C-N 3.3Å; A39-G41 PolarHBondContact O-N 3.11Å; G41-Q44 PolarHBondContact O-N 3.3Å; G41-Q45 PolarHBondContact O-N 3.39Å
42I86.3Confident84.8Confident60 Ų6065 Ų6531%0.30839%0.386SS..Hα-helixtrans-61.5-46.9174-65168.1000110.3L8 I38 A39 Q44 Q45 I46L8-I42 HydrophobicContact CD1-CG2 4.26Å; I38-I42 HydrophobicContact CD1-CD1 3.85Å; I38-I42 HydrophobicContact CG1-CD1 3.95Å; I38-I42 PolarHBondContact O-N 3.13Å; I38-I42 VanDerWaalsContact O-N 3.12Å; A39-I42 PolarHBondContact O-N 3.32Å; I42-Q44 VanDerWaalsContact C-N 3.33Å; I42-Q44 PolarHBondContact O-N 3.21Å; I42-Q45 PolarHBondContact O-N 2.95Å; I42-I46 HydrophobicContact CG2-CD1 3.94Å; I42-I46 WeakPolarHBondContact O-CG1 3.33Å; I42-I46 PolarHBondContact O-N 2.81Å
43F84Confident84.9Confident32 Ų3267.8 Ų67.814%0.1442%0.417CS..Hα-helixtrans-66.5-38-179.5-169.7-101.3000112M1 A4 Y5 L8 A39 P40 I46 M47M1-F43 HydrophobicContact CE-CD1 3.72Å; M1-F43 HydrophobicContact CE-CE1 3.93Å; A4-F43 HydrophobicContact CB-CE2 3.56Å; A4-F43 HydrophobicContact CB-CZ 3.64Å; Y5-F43 HydrophobicContact CD1-CB 4.12Å; Y5-F43 AromaticContact CD1-CD2 3.96Å; Y5-F43 HydrophobicContact CD1-CD2 3.96Å; Y5-F43 HydrophobicContact CD1-CG 4.11Å; Y5-F43 HydrophobicContact CE1-CB 3.56Å; Y5-F43 HydrophobicContact CE1-CD1 4.26Å; Y5-F43 HydrophobicContact CE1-CD2 4.02Å; Y5-F43 AromaticContact CE1-CG 3.69Å; Y5-F43 HydrophobicContact CE1-CG 3.69Å; L8-F43 HydrophobicContact CD1-CD2 4.07Å; A39-F43 WeakPolarHBondContact O-CB 3.42Å; A39-F43 PolarHBondContact O-N 3.17Å; P40-F43 PolarHBondContact O-N 3.4Å; F43-I46 PolarHBondContact O-N 3.49Å; F43-M47 HydrophobicContact CD1-CE 3.49Å; F43-M47 VanDerWaalsContact CD1-CE 3.49Å; F43-M47 HydrophobicContact CD1-CG 4.18Å; F43-M47 HydrophobicContact CD1-SD 3.86Å; F43-M47 HydrophobicContact CE1-CE 3.57Å; F43-M47 HydrophobicContact CE1-CG 3.88Å; F43-M47 HydrophobicContact CE1-SD 3.32Å; F43-M47 WeakPolarHBondContact CE1-SD 3.23Å; F43-M47 HydrophobicContact CZ-CG 4.26Å; F43-M47 HydrophobicContact CZ-SD 4.06Å; F43-M47 WeakPolarHBondContact O-CG 3.47Å; F43-M47 PolarHBondContact O-N 3.39Å
44Q87.6Confident85.2Confident44 Ų4467.7 Ų67.721%0.20642%0.418CS..Hα-helixtrans-60.1-47.4173.6-177.659.157.100110.7P40 G41 I42 I46 M47 D48 P59P40-Q44 WeakPolarHBondContact O-CB 3.42Å; P40-Q44 PolarHBondContact O-N 3.39Å; G41-Q44 PolarHBondContact O-N 3.3Å; I42-Q44 VanDerWaalsContact C-N 3.33Å; I42-Q44 PolarHBondContact O-N 3.21Å; Q44-I46 VanDerWaalsContact C-N 3.34Å; Q44-I46 PolarHBondContact O-N 2.83Å; Q44-M47 PolarHBondContact O-N 3.43Å; Q44-M47 VanDerWaalsContact O-N 3.17Å; Q44-D48 PolarHBondContact NE2-OD1 2.94Å; Q44-D48 PolarHBondContact NE2-OD2 3.25Å; Q44-D48 WeakPolarHBondContact O-CB 3.37Å; Q44-D48 PolarHBondContact O-N 2.97Å; Q44-P59 PolarHBondContact NE2-O 3.14Å
45Q89.3Confident85.7Confident120 Ų12066.3 Ų66.356%0.56142%0.421SS*.Hα-helixtrans-59.5-43.9176.8-175.7174.89.100112.1G41 I42 M47 D48 D49G41-Q45 PolarHBondContact O-N 3.39Å; I42-Q45 PolarHBondContact O-N 2.95Å; Q45-M47 VanDerWaalsContact C-N 3.32Å; Q45-M47 PolarHBondContact O-N 2.94Å; Q45-D48 PolarHBondContact O-N 3.49Å; Q45-D49 WeakPolarHBondContact O-CB 3.18Å; Q45-D49 PolarHBondContact O-N 3.43Å
46I88.6Confident86Confident71 Ų7163.3 Ų63.336%0.36439%0.39SS..Hα-helixtrans-63.5-39.6177.8-68.2171.2000111.3L8 I42 F43 Q44 A50L8-I46 HydrophobicContact CD1-CD1 3.72Å; L8-I46 HydrophobicContact CD2-CD1 3.36Å; L8-I46 HydrophobicContact CG-CD1 4.17Å; I42-I46 HydrophobicContact CG2-CD1 3.94Å; I42-I46 WeakPolarHBondContact O-CG1 3.33Å; I42-I46 PolarHBondContact O-N 2.81Å; F43-I46 PolarHBondContact O-N 3.49Å; Q44-I46 VanDerWaalsContact C-N 3.34Å; Q44-I46 PolarHBondContact O-N 2.83Å; I46-A50 WeakPolarHBondContact O-CB 3.2Å; I46-A50 PolarHBondContact O-N 3.11Å
47M88.1Confident86.5Confident30 Ų3061.9 Ų61.915%0.14838%0.381CS..Hα-helixtrans-68.3-40.3175.1-72.5-168.4-62.400112.2M1 F43 Q44 Q45 D49 A50 L51 P59M1-M47 HydrophobicContact CE-CE 4.29Å; F43-M47 HydrophobicContact CD1-CE 3.49Å; F43-M47 VanDerWaalsContact CD1-CE 3.49Å; F43-M47 HydrophobicContact CD1-CG 4.18Å; F43-M47 HydrophobicContact CD1-SD 3.86Å; F43-M47 HydrophobicContact CE1-CE 3.57Å; F43-M47 HydrophobicContact CE1-CG 3.88Å; F43-M47 HydrophobicContact CE1-SD 3.32Å; F43-M47 WeakPolarHBondContact CE1-SD 3.23Å; F43-M47 HydrophobicContact CZ-CG 4.26Å; F43-M47 HydrophobicContact CZ-SD 4.06Å; F43-M47 WeakPolarHBondContact O-CG 3.47Å; F43-M47 PolarHBondContact O-N 3.39Å; Q44-M47 PolarHBondContact O-N 3.43Å; Q44-M47 VanDerWaalsContact O-N 3.17Å; Q45-M47 VanDerWaalsContact C-N 3.32Å; Q45-M47 PolarHBondContact O-N 2.94Å; M47-D49 VanDerWaalsContact C-N 3.34Å; M47-A50 PolarHBondContact O-N 2.82Å; M47-L51 WeakPolarHBondContact O-CB 3.2Å; M47-L51 WeakPolarHBondContact O-CG 3.39Å; M47-L51 PolarHBondContact O-N 3.4Å; M47-P59 HydrophobicContact CB-CB 3.77Å; M47-P59 HydrophobicContact CB-CG 4.06Å; M47-P59 HydrophobicContact CE-CB 4.38Å; M47-P59 HydrophobicContact SD-CB 4.45Å
48D89.3Confident86.9Confident69 Ų6958.8 Ų58.837%0.36936%0.358SS..Hα-helixtrans-60-46175.7-79.7-46.4000110.7Q44 Q45 N52 P59Q44-D48 PolarHBondContact NE2-OD1 2.94Å; Q44-D48 PolarHBondContact NE2-OD2 3.25Å; Q44-D48 WeakPolarHBondContact O-CB 3.37Å; Q44-D48 PolarHBondContact O-N 2.97Å; Q45-D48 PolarHBondContact O-N 3.49Å; D48-N52 WeakPolarHBondContact O-CA 3.09Å; D48-N52 WeakPolarHBondContact O-CB 3.37Å; D48-N52 PolarHBondContact O-N 2.89Å; D48-P59 HydrophobicContact CB-CG 4.49Å; D48-P59 WeakPolarHBondContact OD1-CG 3.33Å
49D89.6Confident87Confident103 Ų10354 Ų5455%0.55133%0.334SS*.Hα-helixtrans-66.6-41.9177.7-71.3-22.9000111.9Q45 M47 L51 N52Q45-D49 WeakPolarHBondContact O-CB 3.18Å; Q45-D49 PolarHBondContact O-N 3.43Å; M47-D49 VanDerWaalsContact C-N 3.34Å; D49-L51 PolarHBondContact O-N 2.94Å; D49-N52 WeakPolarHBondContact O-CB 3.37Å; D49-N52 PolarHBondContact O-N 3.35Å
50A85.8Confident87Confident71 Ų7160.9 Ų60.959%0.58736%0.36SS*.Hα-helixtrans-69.4-31.2-179.700000113.5I46 M47I46-A50 WeakPolarHBondContact O-CB 3.2Å; I46-A50 PolarHBondContact O-N 3.11Å; M47-A50 PolarHBondContact O-N 2.82Å
51L86.5Confident86.8Confident18 Ų1864 Ų649%0.09437%0.368CS..THydrogen-bonded Turntrans-100.46178.7-57.7179.4000112.6M47 D49 G53 V54 V57 P59 I63 M80 M83M47-L51 WeakPolarHBondContact O-CB 3.2Å; M47-L51 WeakPolarHBondContact O-CG 3.39Å; M47-L51 PolarHBondContact O-N 3.4Å; D49-L51 PolarHBondContact O-N 2.94Å; L51-G53 PolarHBondContact O-N 3.09Å; L51-V54 PolarHBondContact O-N 3.07Å; L51-V57 HydrophobicContact CB-CG1 4.41Å; L51-V57 HydrophobicContact CD1-CG1 3.94Å; L51-P59 HydrophobicContact CD1-CB 3.94Å; L51-P59 HydrophobicContact CD1-CG 4.03Å; L51-I63 HydrophobicContact CD1-CG1 4.07Å; L51-M80 HydrophobicContact CD1-CE 4.34Å; L51-M80 HydrophobicContact CD2-CE 3.6Å; L51-M80 HydrophobicContact CD2-SD 4.12Å; L51-M83 HydrophobicContact CD2-CE 3.24Å
52N87.4Confident86.6Confident130 Ų13067.6 Ų67.670%0.69538%0.376SS*.THydrogen-bonded Turntrans-60.8131.3179.7-164.8-5.4000110.3D48 D49D48-N52 WeakPolarHBondContact O-CA 3.09Å; D48-N52 WeakPolarHBondContact O-CB 3.37Å; D48-N52 PolarHBondContact O-N 2.89Å; D49-N52 WeakPolarHBondContact O-CB 3.37Å; D49-N52 PolarHBondContact O-N 3.35Å
53G84.7Confident86.6Confident68 Ų6868.4 Ų68.470%0.70138%0.38SS*.THydrogen-bonded Turntrans86.3-4.3179.800000115.5L51 P55L51-G53 PolarHBondContact O-N 3.09Å; G53-P55 VanDerWaalsContact O-CD 3.26Å; G53-P55 WeakPolarHBondContact O-CD 3.32Å
54V85.8Confident86.9Confident31 Ų3170.9 Ų70.919%0.18840%0.395CS..  trans-80.8114174.7-172.50000110.1L51 G56 V57 M83L51-V54 PolarHBondContact O-N 3.07Å; V54-G56 PolarHBondContact O-N 3.38Å; V54-V57 HydrophobicContact CB-CB 4.05Å; V54-V57 HydrophobicContact CB-CG2 4.15Å; V54-V57 HydrophobicContact CG1-CB 3.94Å; V54-V57 HydrophobicContact CG1-CG2 3.46Å; V54-V57 VanDerWaalsContact CG1-CG2 3.46Å; V54-V57 PolarHBondContact O-N 3.13Å; V54-M83 HydrophobicContact CG2-CE 4.09Å; V54-M83 HydrophobicContact CG2-SD 4.14Å
55P85.4Confident87Confident89 Ų8971 Ų7158%0.57840%0.396SS*.THydrogen-bonded Turntrans-62.9125.3-172.5-23.434.8000112.7G53 V57 R76G53-P55 VanDerWaalsContact O-CD 3.26Å; G53-P55 WeakPolarHBondContact O-CD 3.32Å; P55-V57 PolarHBondContact O-N 3.12Å; P55-R76 WeakPolarHBondContact O-CD 3.39Å; P55-R76 PolarHBondContact O-NE 2.73Å
56G87.5Confident87.1Confident20 Ų2072.9 Ų72.921%0.20640%0.398CS..THydrogen-bonded Turntrans76.91.7177.200000115.8V54 R66 R76V54-G56 PolarHBondContact O-N 3.38Å; G56-R66 PolarHBondContact O-N 3.38Å; G56-R76 VanDerWaalsContact CA-NH1 3.28Å
57V90.9Very high87.3Confident14 Ų1471.4 Ų71.49%0.08540%0.397CS..EExtended strand (participates in β ladder)trans-92.8135.7173-178.90000108.6L51 V54 P55 I63 L64 I65L51-V57 HydrophobicContact CB-CG1 4.41Å; L51-V57 HydrophobicContact CD1-CG1 3.94Å; V54-V57 HydrophobicContact CB-CB 4.05Å; V54-V57 HydrophobicContact CB-CG2 4.15Å; V54-V57 HydrophobicContact CG1-CB 3.94Å; V54-V57 HydrophobicContact CG1-CG2 3.46Å; V54-V57 VanDerWaalsContact CG1-CG2 3.46Å; V54-V57 PolarHBondContact O-N 3.13Å; P55-V57 PolarHBondContact O-N 3.12Å; V57-I63 HydrophobicContact CG1-CG2 3.69Å; V57-L64 CarbonylContact C-O 3.54Å; V57-L64 WeakPolarHBondContact CA-O 3.26Å; V57-I65 HydrophobicContact CG2-CG1 4.3Å; V57-I65 HydrophobicContact CG2-CG2 4.49Å
58T89.6Confident87.6Confident47 Ų4774.6 Ų74.629%0.28843%0.428SS..EExtended strand (participates in β ladder)trans-142.7114.2177.4-54.40000107.7Y60 L64 R66T58-Y60 PolarHBondContact O-N 3.16Å; T58-L64 PolarHBondContact N-O 3.45Å; T58-L64 WeakPolarHBondContact O-CA 3.48Å; T58-L64 WeakPolarHBondContact O-CB 3.41Å; T58-L64 PolarHBondContact O-N 3.43Å; T58-R66 PolarHBondContact OG1-NH2 3.36Å
59P86.4Confident87.8Confident9 Ų974.9 Ų74.96%0.05843%0.432CS..EExtended strand (participates in β ladder)trans-72125.6172.227.1-26.9000109.3Q44 M47 D48 L51 D62Q44-P59 PolarHBondContact NE2-O 3.14Å; M47-P59 HydrophobicContact CB-CB 3.77Å; M47-P59 HydrophobicContact CB-CG 4.06Å; M47-P59 HydrophobicContact CE-CB 4.38Å; M47-P59 HydrophobicContact SD-CB 4.45Å; D48-P59 HydrophobicContact CB-CG 4.49Å; D48-P59 WeakPolarHBondContact OD1-CG 3.33Å; L51-P59 HydrophobicContact CD1-CB 3.94Å; L51-P59 HydrophobicContact CD1-CG 4.03Å; P59-D62 CarbonylContact C-O 3.54Å; P59-D62 WeakPolarHBondContact CA-O 3.37Å
60Y83.6Confident88Confident148 Ų14874.6 Ų74.658%0.5844%0.438SS*.SBendtrans-145.287.4176.7178.8-100.4000108.4T58 D62 L64T58-Y60 PolarHBondContact O-N 3.16Å; Y60-D62 CarbonylContact C-O 3.4Å; Y60-D62 PolarHBondContact N-O 3.36Å; Y60-D62 PolarHBondContact O-N 3.43Å; Y60-L64 HydrophobicContact CD1-CD1 4.11Å; Y60-L64 HydrophobicContact CG-CD1 4.16Å
61F79.8Confident88.4Confident121 Ų12178.1 Ų78.153%0.53144%0.442SS..SBendtrans59.6-46.9-164.7-63.6-80.8000114.5M1M1-F61 WeakPolarHBondContact CE-O 3.47Å
62D82.2Confident88.6Confident124 Ų12480.2 Ų80.266%0.66345%0.452SS*.SBendtrans-119.7-176.7167.3-69.8-45.2000110.1P59 Y60P59-D62 CarbonylContact C-O 3.54Å; P59-D62 WeakPolarHBondContact CA-O 3.37Å; Y60-D62 CarbonylContact C-O 3.4Å; Y60-D62 PolarHBondContact N-O 3.36Å; Y60-D62 PolarHBondContact O-N 3.43Å
63I85.9Confident88.9Confident77 Ų7777.3 Ų77.340%0.39544%0.436SS..EExtended strand (participates in β ladder)trans-88.5116.3179.6-62.6149.7000109.6L51 V57 I65 M80L51-I63 HydrophobicContact CD1-CG1 4.07Å; V57-I63 HydrophobicContact CG1-CG2 3.69Å; I63-I65 HydrophobicContact CG2-CG1 4.1Å; I63-M80 HydrophobicContact CD1-CE 3.34Å; I63-M80 HydrophobicContact CG1-CE 4.01Å; I63-M80 HydrophobicContact CG2-CE 4.08Å; I63-M80 HydrophobicContact CG2-SD 4.39Å
64L90.4Very high89.3Confident85 Ų8577.1 Ų77.145%0.44543%0.427SS..EExtended strand (participates in β ladder)trans-96.1127.9171.6-58.9179000110.3V57 T58 Y60V57-L64 CarbonylContact C-O 3.54Å; V57-L64 WeakPolarHBondContact CA-O 3.26Å; T58-L64 PolarHBondContact N-O 3.45Å; T58-L64 WeakPolarHBondContact O-CA 3.48Å; T58-L64 WeakPolarHBondContact O-CB 3.41Å; T58-L64 PolarHBondContact O-N 3.43Å; Y60-L64 HydrophobicContact CD1-CD1 4.11Å; Y60-L64 HydrophobicContact CG-CD1 4.16Å
65I91.3Very high89.6Confident46 Ų4679.5 Ų79.524%0.23645%0.445CS..EExtended strand (participates in β ladder)trans-114.5114.2176.2-50.1-178.9000108.2V57 I63 L73 R76 M80V57-I65 HydrophobicContact CG2-CG1 4.3Å; V57-I65 HydrophobicContact CG2-CG2 4.49Å; I63-I65 HydrophobicContact CG2-CG1 4.1Å; I65-L73 HydrophobicContact CB-CD1 4.12Å; I65-L73 HydrophobicContact CG2-CD1 3.79Å; I65-R76 HydrophobicContact CG2-CB 3.67Å; I65-M80 HydrophobicContact CD1-CB 4.13Å; I65-M80 HydrophobicContact CD1-CG 4.32Å
66R91.3Very high89.9Confident160 Ų16078 Ų7860%0.60443%0.428SS*.  trans-99.1146.1176.7-66.2179.3-74.2152.3-5.9109.4G56 T58 R76G56-R66 PolarHBondContact O-N 3.38Å; T58-R66 PolarHBondContact OG1-NH2 3.36Å; R66-R76 WeakPolarHBondContact O-CD 3.37Å; R66-R76 PolarHBondContact O-NH1 2.7Å
67A92.7Very high90.1Very high40 Ų4079.8 Ų79.833%0.33144%0.436SS..  trans-158.1153.5173.700000109.5E72 L73A67-E72 HydrophobicContact CB-CB 4.01Å; A67-E72 HydrophobicContact CB-CG 3.82Å; A67-L73 HydrophobicContact CB-CB 3.73Å; A67-L73 HydrophobicContact CB-CD1 4.25Å
68A93.1Very high90.1Very high97 Ų9782.5 Ų82.580%0.80245%0.448SS*.SBendtrans-83.3-25.417800000112.3E72A68-E72 PolarHBondContact N-OE2 3.23Å
69T94.5Very high90.1Very high75 Ų7583.6 Ų83.646%0.4645%0.454SS..SBendtrans-131.1154.2-17963.20000111Q71 E72 L73T69-Q71 PolarHBondContact O-N 2.95Å; T69-E72 PolarHBondContact O-N 2.94Å; T69-E72 VanDerWaalsContact OG1-CB 3.3Å; T69-E72 WeakPolarHBondContact OG1-CB 3.33Å; T69-E72 PolarHBondContact OG1-N 2.97Å; T69-L73 PolarHBondContact O-N 3.39Å
70S93.5Very high90.2Very high96 Ų9684.1 Ų84.167%0.67146%0.456SS*.Hα-helixtrans-62.1-32.7178.1-550000112.6L73 A74S70-L73 PolarHBondContact O-N 3.21Å; S70-A74 WeakPolarHBondContact O-CB 3.44Å; S70-A74 PolarHBondContact O-N 2.88Å
71Q93.3Very high90.5Very high145 Ų14584.8 Ų84.868%0.67846%0.458SS*.Hα-helixtrans-66.4-44.3177.1-65.484-1700111.1T69 L73 A74 C75T69-Q71 PolarHBondContact O-N 2.95Å; Q71-L73 VanDerWaalsContact C-N 3.35Å; Q71-A74 PolarHBondContact O-N 3.36Å; Q71-C75 WeakPolarHBondContact O-CB 3.36Å; Q71-C75 PolarHBondContact O-N 3.21Å
72E92.4Very high91Very high62 Ų6284 Ų8429%0.2946%0.456SS..Hα-helixtrans-65.2-40.1174.8179.4179.4-145.800111.4A67 A68 T69 C75 R76A67-E72 HydrophobicContact CB-CB 4.01Å; A67-E72 HydrophobicContact CB-CG 3.82Å; A68-E72 PolarHBondContact N-OE2 3.23Å; T69-E72 PolarHBondContact O-N 2.94Å; T69-E72 VanDerWaalsContact OG1-CB 3.3Å; T69-E72 WeakPolarHBondContact OG1-CB 3.33Å; T69-E72 PolarHBondContact OG1-N 2.97Å; E72-C75 PolarHBondContact O-N 3.49Å; E72-R76 WeakPolarHBondContact O-CG 3.49Å; E72-R76 PolarHBondContact O-N 2.96Å; E72-R76 IonicContact OE1-CZ 3.11Å; E72-R76 IonicContact OE1-NE 3.48Å; E72-R76 PolarHBondContact OE1-NE 3.43Å; E72-R76 IonicContact OE1-NH1 3.87Å; E72-R76 IonicContact OE1-NH2 2.6Å; E72-R76 PolarHBondContact OE1-NH2 3.24Å
73L92.8Very high91.2Very high70 Ų7081.1 Ų81.137%0.36644%0.439SS..Hα-helixtrans-59.2-48.6174.7-174.858.6000111.1I65 A67 T69 S70 Q71 C75 R76 C77I65-L73 HydrophobicContact CB-CD1 4.12Å; I65-L73 HydrophobicContact CG2-CD1 3.79Å; A67-L73 HydrophobicContact CB-CB 3.73Å; A67-L73 HydrophobicContact CB-CD1 4.25Å; T69-L73 PolarHBondContact O-N 3.39Å; S70-L73 PolarHBondContact O-N 3.21Å; Q71-L73 VanDerWaalsContact C-N 3.35Å; L73-C75 VanDerWaalsContact C-N 3.33Å; L73-C75 PolarHBondContact O-N 3Å; L73-R76 PolarHBondContact O-N 3.19Å; L73-C77 WeakPolarHBondContact O-CB 3.5Å; L73-C77 PolarHBondContact O-N 3.11Å; L73-C77 PolarHBondContact O-SG 2.95Å
74A93.3Very high91.1Very high63 Ų6380.8 Ų80.852%0.52144%0.443SS..Hα-helixtrans-60.3-42.8178.400000112S70 Q71 C77 E78S70-A74 WeakPolarHBondContact O-CB 3.44Å; S70-A74 PolarHBondContact O-N 2.88Å; Q71-A74 PolarHBondContact O-N 3.36Å; A74-C77 PolarHBondContact O-N 3.22Å; A74-E78 PolarHBondContact O-N 3.34Å
75C91.7Very high91Very high82 Ų8279.2 Ų79.255%0.55444%0.442SS*.Hα-helixtrans-61.2-48.3176.1-176.70000111.7Q71 E72 L73 C77 E78 V79Q71-C75 WeakPolarHBondContact O-CB 3.36Å; Q71-C75 PolarHBondContact O-N 3.21Å; E72-C75 PolarHBondContact O-N 3.49Å; L73-C75 VanDerWaalsContact C-N 3.33Å; L73-C75 PolarHBondContact O-N 3Å; C75-C77 PolarHBondContact O-N 2.83Å; C75-E78 PolarHBondContact O-N 2.88Å; C75-V79 WeakPolarHBondContact O-CG2 3.46Å; C75-V79 PolarHBondContact O-N 2.95Å; C75-V79 VanDerWaalsContact O-N 3.09Å
76R91.9Very high90.8Very high58 Ų5882.5 Ų82.522%0.21946%0.459CS..Hα-helixtrans-64.3-38.5178.3-69.8175.9-177.2-167.7-7.2112.3P55 G56 I65 R66 E72 L73 E78 V79 M80P55-R76 WeakPolarHBondContact O-CD 3.39Å; P55-R76 PolarHBondContact O-NE 2.73Å; G56-R76 VanDerWaalsContact CA-NH1 3.28Å; I65-R76 HydrophobicContact CG2-CB 3.67Å; R66-R76 WeakPolarHBondContact O-CD 3.37Å; R66-R76 PolarHBondContact O-NH1 2.7Å; E72-R76 WeakPolarHBondContact O-CG 3.49Å; E72-R76 PolarHBondContact O-N 2.96Å; E72-R76 IonicContact OE1-CZ 3.11Å; E72-R76 IonicContact OE1-NE 3.48Å; E72-R76 PolarHBondContact OE1-NE 3.43Å; E72-R76 IonicContact OE1-NH1 3.87Å; E72-R76 IonicContact OE1-NH2 2.6Å; E72-R76 PolarHBondContact OE1-NH2 3.24Å; L73-R76 PolarHBondContact O-N 3.19Å; R76-E78 PolarHBondContact O-N 2.98Å; R76-V79 PolarHBondContact O-N 3.28Å; R76-M80 PolarHBondContact O-N 3.17Å
77C90.8Very high90.2Very high56 Ų5677 Ų7738%0.37845%0.452SS..Hα-helixtrans-61.4-41.2174.3-740000112.2L73 A74 C75 M80 R81L73-C77 WeakPolarHBondContact O-CB 3.5Å; L73-C77 PolarHBondContact O-N 3.11Å; L73-C77 PolarHBondContact O-SG 2.95Å; A74-C77 PolarHBondContact O-N 3.22Å; C75-C77 PolarHBondContact O-N 2.83Å; C77-M80 PolarHBondContact O-N 3.48Å; C77-R81 PolarHBondContact O-N 2.65Å
78E91.5Very high89.2Confident72 Ų7280.4 Ų80.434%0.33647%0.465SS..Hα-helixtrans-68.7-39.4177.9-177.355.9-156.600111.9A74 C75 R76 M80 R81 Q82A74-E78 PolarHBondContact O-N 3.34Å; C75-E78 PolarHBondContact O-N 2.88Å; R76-E78 PolarHBondContact O-N 2.98Å; E78-M80 VanDerWaalsContact C-N 3.31Å; E78-M80 PolarHBondContact O-N 3.33Å; E78-R81 WeakPolarHBondContact O-CB 3.35Å; E78-R81 PolarHBondContact O-N 2.81Å; E78-R81 IonicContact OE1-CZ 3.82Å; E78-R81 IonicContact OE1-NE 2.91Å; E78-R81 PolarHBondContact OE1-NE 3.43Å; E78-R81 IonicContact OE1-NH2 3.85Å; E78-R81 PolarHBondContact OE1-NH2 3.35Å; E78-R81 VanDerWaalsContact OE1-NH2 3.13Å; E78-R81 IonicContact OE2-CZ 3.73Å; E78-R81 IonicContact OE2-NE 3.39Å; E78-R81 PolarHBondContact OE2-NE 3.43Å; E78-R81 IonicContact OE2-NH2 3.13Å; E78-Q82 WeakPolarHBondContact O-CG 3.43Å; E78-Q82 PolarHBondContact O-N 3.48Å; E78-Q82 PolarHBondContact OE1-NE2 3.38Å
79V90.1Very high88.3Confident70 Ų7082.9 Ų82.942%0.42446%0.458SS..Hα-helixtrans-58.1-46172.5173.50000110.5C75 R76 R81 Q82 M83C75-V79 WeakPolarHBondContact O-CG2 3.46Å; C75-V79 PolarHBondContact O-N 2.95Å; C75-V79 VanDerWaalsContact O-N 3.09Å; R76-V79 PolarHBondContact O-N 3.28Å; V79-R81 VanDerWaalsContact C-N 3.31Å; V79-R81 PolarHBondContact O-N 3.41Å; V79-Q82 PolarHBondContact O-N 3.29Å; V79-M83 WeakPolarHBondContact O-CB 3.3Å; V79-M83 PolarHBondContact O-N 2.95Å
80M88.8Confident87.3Confident19 Ų1982 Ų829%0.09446%0.458CS..Hα-helixtrans-61.3-40.8177.1-16864.1-165.800111.8L51 I63 I65 R76 C77 E78 Q82 M83 C84L51-M80 HydrophobicContact CD1-CE 4.34Å; L51-M80 HydrophobicContact CD2-CE 3.6Å; L51-M80 HydrophobicContact CD2-SD 4.12Å; I63-M80 HydrophobicContact CD1-CE 3.34Å; I63-M80 HydrophobicContact CG1-CE 4.01Å; I63-M80 HydrophobicContact CG2-CE 4.08Å; I63-M80 HydrophobicContact CG2-SD 4.39Å; I65-M80 HydrophobicContact CD1-CB 4.13Å; I65-M80 HydrophobicContact CD1-CG 4.32Å; R76-M80 PolarHBondContact O-N 3.17Å; C77-M80 PolarHBondContact O-N 3.48Å; E78-M80 VanDerWaalsContact C-N 3.31Å; E78-M80 PolarHBondContact O-N 3.33Å; M80-Q82 PolarHBondContact O-N 2.96Å; M80-M83 HydrophobicContact CE-CE 3.98Å; M80-M83 PolarHBondContact O-N 2.6Å; M80-M83 HydrophobicContact SD-CE 3.54Å; M80-M83 VanDerWaalsContact SD-CE 3.54Å; M80-C84 PolarHBondContact O-N 3.06Å; M80-C84 PolarHBondContact O-SG 3.43Å
81R90Very high85.9Confident162 Ų16280 Ų8061%0.61145%0.447SS*.Hα-helixtrans-62.3-42.6177.6-161.3-176.178.590.44.9112C77 E78 V79 A85C77-R81 PolarHBondContact O-N 2.65Å; E78-R81 WeakPolarHBondContact O-CB 3.35Å; E78-R81 PolarHBondContact O-N 2.81Å; E78-R81 IonicContact OE1-CZ 3.82Å; E78-R81 IonicContact OE1-NE 2.91Å; E78-R81 PolarHBondContact OE1-NE 3.43Å; E78-R81 IonicContact OE1-NH2 3.85Å; E78-R81 PolarHBondContact OE1-NH2 3.35Å; E78-R81 VanDerWaalsContact OE1-NH2 3.13Å; E78-R81 IonicContact OE2-CZ 3.73Å; E78-R81 IonicContact OE2-NE 3.39Å; E78-R81 PolarHBondContact OE2-NE 3.43Å; E78-R81 IonicContact OE2-NH2 3.13Å; V79-R81 VanDerWaalsContact C-N 3.31Å; V79-R81 PolarHBondContact O-N 3.41Å; R81-A85 PolarHBondContact O-N 3.19Å; R81-A85 VanDerWaalsContact O-N 3.11Å
82Q89.6Confident84.4Confident106 Ų10677.3 Ų77.350%0.49544%0.44SS..Hα-helixtrans-66.1-42.9176.9-69.5174.910.300111.5E78 V79 M80 C84 A85 L86E78-Q82 WeakPolarHBondContact O-CG 3.43Å; E78-Q82 PolarHBondContact O-N 3.48Å; E78-Q82 PolarHBondContact OE1-NE2 3.38Å; V79-Q82 PolarHBondContact O-N 3.29Å; M80-Q82 PolarHBondContact O-N 2.96Å; Q82-C84 PolarHBondContact O-N 3.47Å; Q82-A85 PolarHBondContact O-N 3.13Å; Q82-L86 WeakPolarHBondContact O-CG 3.46Å; Q82-L86 PolarHBondContact O-N 3.39Å
83M85.9Confident82.8Confident63 Ų6378.3 Ų78.331%0.3145%0.454SS..Hα-helixtrans-62.1-44.1177.8-165.1166.670.300111.9L51 V54 V79 M80 A85 L86 G87L51-M83 HydrophobicContact CD2-CE 3.24Å; V54-M83 HydrophobicContact CG2-CE 4.09Å; V54-M83 HydrophobicContact CG2-SD 4.14Å; V79-M83 WeakPolarHBondContact O-CB 3.3Å; V79-M83 PolarHBondContact O-N 2.95Å; M80-M83 HydrophobicContact CE-CE 3.98Å; M80-M83 PolarHBondContact O-N 2.6Å; M80-M83 HydrophobicContact SD-CE 3.54Å; M80-M83 VanDerWaalsContact SD-CE 3.54Å; M83-A85 VanDerWaalsContact C-N 3.31Å; M83-A85 PolarHBondContact O-N 3.09Å; M83-L86 PolarHBondContact O-N 3.49Å; M83-G87 PolarHBondContact O-N 3.24Å
84C84.6Confident81.1Confident70 Ų7079.5 Ų79.547%0.47347%0.469SS..Hα-helixtrans-60.4-39.4174.1-71.20000112.5M80 Q82 N88M80-C84 PolarHBondContact O-N 3.06Å; M80-C84 PolarHBondContact O-SG 3.43Å; Q82-C84 PolarHBondContact O-N 3.47Å; C84-N88 PolarHBondContact O-N 3.33Å
85A88.5Confident79.2Confident51 Ų5183.7 Ų83.742%0.42148%0.482SS..Hα-helixtrans-67.6-35.7177.900000112.5R81 Q82 M83 K89R81-A85 PolarHBondContact O-N 3.19Å; R81-A85 VanDerWaalsContact O-N 3.11Å; Q82-A85 PolarHBondContact O-N 3.13Å; M83-A85 VanDerWaalsContact C-N 3.31Å; M83-A85 PolarHBondContact O-N 3.09Å; A85-K89 WeakPolarHBondContact O-CG 3.39Å; A85-K89 PolarHBondContact O-N 2.93Å
86L85.8Confident76.9Confident116 Ų11688.4 Ų88.461%0.60751%0.508SS*.Hα-helixtrans-71-44.2176-69.9169.3000111.8Q82 M83 N88 K89 A90Q82-L86 WeakPolarHBondContact O-CG 3.46Å; Q82-L86 PolarHBondContact O-N 3.39Å; M83-L86 PolarHBondContact O-N 3.49Å; L86-N88 VanDerWaalsContact C-N 3.31Å; L86-N88 PolarHBondContact O-N 2.91Å; L86-K89 PolarHBondContact O-N 2.87Å; L86-K89 VanDerWaalsContact O-N 3.14Å; L86-A90 PolarHBondContact O-N 3.3Å; L86-A90 VanDerWaalsContact O-N 3.13Å
87G79.4Confident76.1Confident44 Ų4489.9 Ų89.945%0.45452%0.523SS..Hα-helixtrans-58.7-41.2178.100000112.8M83 K89 A90 A91M83-G87 PolarHBondContact O-N 3.24Å; G87-K89 VanDerWaalsContact C-N 3.35Å; G87-K89 PolarHBondContact O-N 2.97Å; G87-A90 PolarHBondContact O-N 3.25Å; G87-A91 PolarHBondContact O-N 3.41Å; G87-A91 VanDerWaalsContact O-N 3.12Å
88N72.9Confident75.4Confident112 Ų11291.7 Ų91.760%0.59953%0.53SS*.Hα-helixtrans-66.8-35.4177.7-162.820.6000112.4C84 L86 A91 V92C84-N88 PolarHBondContact O-N 3.33Å; L86-N88 VanDerWaalsContact C-N 3.31Å; L86-N88 PolarHBondContact O-N 2.91Å; N88-A91 PolarHBondContact O-N 2.87Å; N88-V92 WeakPolarHBondContact O-CG2 3.46Å; N88-V92 PolarHBondContact O-N 3.3Å; N88-V92 VanDerWaalsContact O-N 3.16Å
89K73.6Confident74.5Confident149 Ų14992.8 Ų92.865%0.64854%0.541SS*.Hα-helixtrans-65.8-41.2176.4-71.3175.3-176.2-176.80112.1A85 L86 G87 A91 V92 S93A85-K89 WeakPolarHBondContact O-CG 3.39Å; A85-K89 PolarHBondContact O-N 2.93Å; L86-K89 PolarHBondContact O-N 2.87Å; L86-K89 VanDerWaalsContact O-N 3.14Å; G87-K89 VanDerWaalsContact C-N 3.35Å; G87-K89 PolarHBondContact O-N 2.97Å; K89-A91 VanDerWaalsContact C-N 3.35Å; K89-V92 PolarHBondContact O-N 3.22Å; K89-S93 PolarHBondContact O-N 3Å
90A72.1Confident73.5Confident56 Ų5694.1 Ų94.146%0.46355%0.548SS..Hα-helixtrans-66.9-35.4177.500000112.6L86 G87 S93 S94L86-A90 PolarHBondContact O-N 3.3Å; L86-A90 VanDerWaalsContact O-N 3.13Å; G87-A90 PolarHBondContact O-N 3.25Å; A90-S93 PolarHBondContact O-OG 3.43Å; A90-S93 VanDerWaalsContact O-OG 3.11Å; A90-S94 PolarHBondContact O-OG 3.33Å; A90-S94 VanDerWaalsContact O-OG 3.13Å
91A65.7Low72.6Confident54 Ų5498.8 Ų98.845%0.44658%0.577SS.*Hα-helixtrans-67.8-35.5175.500000112.5G87 N88 K89G87-A91 PolarHBondContact O-N 3.41Å; G87-A91 VanDerWaalsContact O-N 3.12Å; N88-A91 PolarHBondContact O-N 2.87Å; K89-A91 VanDerWaalsContact C-N 3.35Å
92V60.7Low71.4Confident89 Ų8994.6 Ų94.654%0.53957%0.574SS.*Hα-helixtrans-71.9-37.4178.6173.30000112.1N88 K89 S94 N95N88-V92 WeakPolarHBondContact O-CG2 3.46Å; N88-V92 PolarHBondContact O-N 3.3Å; N88-V92 VanDerWaalsContact O-N 3.16Å; K89-V92 PolarHBondContact O-N 3.22Å; V92-S94 VanDerWaalsContact C-N 3.25Å; V92-S94 PolarHBondContact O-N 3.4Å; V92-N95 PolarHBondContact O-N 2.95Å
93S59.3Low70.1Confident83 Ų8393.8 Ų93.858%0.5858%0.58SS**Hα-helixtrans-70.3-20.4-179.465.20000114.1K89 A90K89-S93 PolarHBondContact O-N 3Å; A90-S93 PolarHBondContact O-OG 3.43Å; A90-S93 VanDerWaalsContact O-OG 3.11Å
94S56.3Low68.9Low95 Ų9596.2 Ų96.266%0.66460%0.601SS**THydrogen-bonded Turntrans-84.9-10.9178.9-52.80000113.1A90 V92A90-S94 PolarHBondContact O-OG 3.33Å; A90-S94 VanDerWaalsContact O-OG 3.13Å; V92-S94 VanDerWaalsContact C-N 3.25Å; V92-S94 PolarHBondContact O-N 3.4Å
95N54Low67.6Low151 Ų15198.3 Ų98.381%0.80761%0.611SS**THydrogen-bonded Turntrans-10410.1-178.1-91.2-30000113.9V92V92-N95 PolarHBondContact O-N 2.95Å
96T42.9Very low65.7Low180 Ų180102.6 Ų102.6100%1.10463%0.628SS**  trans-112.90171.3-45.10000109.4

Retrieved 96 of 96 residues in 30.1 ms (Link to these results)