X6RI15_HUMAN Loading...

Transcription termination factor 2

AlphaFold DB , UniProt , Accession X6RI15, Species HUMAN (Homo sapiens, Human), Gene TTF2, Length 143 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1N77.6Confident93.4Very high120 Ų12078 Ų7864%0.64239%0.388SS*.  0122.90-176.5-6.8000107.2L3 K4N1-L3 PolarHBondContact O-N 3.43Å; N1-L3 PolarHBondContact OD1-N 2.91Å; N1-K4 HydrophobicContact CB-CG 4.4Å; N1-K4 WeakPolarHBondContact O-CB 3.22Å; N1-K4 PolarHBondContact O-N 3.28Å
2M89.1Confident93.7Very high71 Ų7183.8 Ų83.835%0.3541%0.409SS..Hα-helixtrans-53.1-39.4-176.1-174.751.2-174.800112.7K4 V5 V6 L67 D68M2-K4 PolarHBondContact O-N 3.02Å; M2-K4 VanDerWaalsContact O-N 3.14Å; M2-V5 WeakPolarHBondContact O-CB 3.32Å; M2-V5 PolarHBondContact O-N 3.32Å; M2-V5 HydrophobicContact SD-CB 4.34Å; M2-V6 HydrophobicContact CE-CG2 3.99Å; M2-V6 PolarHBondContact O-N 2.71Å; M2-V6 VanDerWaalsContact O-N 3.09Å; M2-L67 HydrophobicContact CE-CD1 4.31Å; M2-L67 HydrophobicContact CG-CD1 4.5Å; M2-D68 WeakPolarHBondContact CB-OD2 3.39Å
3L92.4Very high94Very high21 Ų2188.4 Ų88.411%0.1143%0.429CS..Hα-helixtrans-56.9-34.2176.8-60.1-178.7000113.3N1 V6 A7 L46N1-L3 PolarHBondContact O-N 3.43Å; N1-L3 PolarHBondContact OD1-N 2.91Å; L3-V6 PolarHBondContact O-N 3.21Å; L3-A7 VanDerWaalsContact O-CB 3.25Å; L3-A7 WeakPolarHBondContact O-CB 3.21Å; L3-A7 PolarHBondContact O-N 2.95Å; L3-L46 HydrophobicContact CD2-CB 4.23Å
4K93Very high94.2Very high150 Ų15086.5 Ų86.565%0.65244%0.444SS*.Hα-helixtrans-69.9-34.3177.6-66-174.7177.4-176.80111.9N1 M2 L8N1-K4 HydrophobicContact CB-CG 4.4Å; N1-K4 WeakPolarHBondContact O-CB 3.22Å; N1-K4 PolarHBondContact O-N 3.28Å; M2-K4 PolarHBondContact O-N 3.02Å; M2-K4 VanDerWaalsContact O-N 3.14Å; K4-L8 PolarHBondContact O-N 2.9Å; K4-L8 VanDerWaalsContact O-N 3.14Å
5V95Very high94.3Very high76 Ų7684.9 Ų84.946%0.46144%0.436SS..Hα-helixtrans-66-49.8176179.80000108.9M2 A7 L8 H9M2-V5 WeakPolarHBondContact O-CB 3.32Å; M2-V5 PolarHBondContact O-N 3.32Å; M2-V5 HydrophobicContact SD-CB 4.34Å; V5-A7 PolarHBondContact O-N 3.1Å; V5-L8 VanDerWaalsContact O-CB 3.27Å; V5-L8 WeakPolarHBondContact O-CB 3.36Å; V5-L8 PolarHBondContact O-N 3.44Å; V5-L8 VanDerWaalsContact O-N 3.14Å; V5-H9 PolarHBondContact O-CD2 3.45Å; V5-H9 PolarHBondContact O-N 2.8Å
6V95.8Very high94.5Very high29 Ų2984.3 Ų84.318%0.17644%0.437CS..Hα-helixtrans-58.7-47.8177.3-178.90000111.3M2 L3 L8 H9 L10 L46 L67M2-V6 HydrophobicContact CE-CG2 3.99Å; M2-V6 PolarHBondContact O-N 2.71Å; M2-V6 VanDerWaalsContact O-N 3.09Å; L3-V6 PolarHBondContact O-N 3.21Å; V6-L8 PolarHBondContact O-N 2.94Å; V6-H9 PolarHBondContact O-N 3.47Å; V6-L10 HydrophobicContact CG1-CD1 4.03Å; V6-L10 HydrophobicContact CG1-CG 4.15Å; V6-L10 WeakPolarHBondContact O-CG 3.44Å; V6-L10 PolarHBondContact O-N 3.28Å; V6-L46 HydrophobicContact CB-CD2 4.3Å; V6-L46 HydrophobicContact CG1-CD2 3.71Å; V6-L67 HydrophobicContact CG2-CD1 3.48Å; V6-L67 VanDerWaalsContact CG2-CD1 3.48Å
7A96.1Very high94.6Very high10 Ų1084.5 Ų84.58%0.08343%0.432CS..Hα-helixtrans-53.5-41.2176.500000112.7L3 V5 H9 L10 K11 Y17 L46L3-A7 VanDerWaalsContact O-CB 3.25Å; L3-A7 WeakPolarHBondContact O-CB 3.21Å; L3-A7 PolarHBondContact O-N 2.95Å; V5-A7 PolarHBondContact O-N 3.1Å; A7-H9 PolarHBondContact O-N 3.23Å; A7-L10 PolarHBondContact O-N 3.18Å; A7-K11 WeakPolarHBondContact O-CB 3.33Å; A7-K11 PolarHBondContact O-N 3.21Å; A7-Y17 HydrophobicContact CB-CD2 4.37Å; A7-Y17 HydrophobicContact CB-CE1 4.3Å; A7-Y17 HydrophobicContact CB-CE2 3.63Å; A7-L46 HydrophobicContact CB-CD1 3.75Å
8L97.1Very high94.7Very high105 Ų10580.3 Ų80.355%0.5541%0.412SS..Hα-helixtrans-61.6-42.5176.4-120.8160.7000111.9K4 V5 V6 K12K4-L8 PolarHBondContact O-N 2.9Å; K4-L8 VanDerWaalsContact O-N 3.14Å; V5-L8 VanDerWaalsContact O-CB 3.27Å; V5-L8 WeakPolarHBondContact O-CB 3.36Å; V5-L8 PolarHBondContact O-N 3.44Å; V5-L8 VanDerWaalsContact O-N 3.14Å; V6-L8 PolarHBondContact O-N 2.94Å; L8-K12 WeakPolarHBondContact O-CG 3.27Å; L8-K12 PolarHBondContact O-N 3.36Å; L8-K12 VanDerWaalsContact O-N 3.17Å
9H97Very high94.6Very high97 Ų9778.2 Ų78.245%0.44940%0.403SS..Hα-helixtrans-70.9-42.9177.1-78.9-87.6000112.4V5 V6 A7 K11 K12 H13V5-H9 PolarHBondContact O-CD2 3.45Å; V5-H9 PolarHBondContact O-N 2.8Å; V6-H9 PolarHBondContact O-N 3.47Å; A7-H9 PolarHBondContact O-N 3.23Å; H9-K11 VanDerWaalsContact C-N 3.28Å; H9-K11 PolarHBondContact O-N 3.18Å; H9-K12 WeakPolarHBondContact O-CB 3.47Å; H9-K12 PolarHBondContact O-N 3Å; H9-K12 VanDerWaalsContact O-N 3.09Å; H9-H13 PolarHBondContact O-CD2 3.43Å; H9-H13 PolarHBondContact O-N 3.09Å
10L97.4Very high94.5Very high21 Ų2174.3 Ų74.311%0.1138%0.383CS..Hα-helixtrans-56.1-44.9175.1-67176.3000111.3V6 A7 K12 H13 G14 L15 Y17 V44 L46V6-L10 HydrophobicContact CG1-CD1 4.03Å; V6-L10 HydrophobicContact CG1-CG 4.15Å; V6-L10 WeakPolarHBondContact O-CG 3.44Å; V6-L10 PolarHBondContact O-N 3.28Å; A7-L10 PolarHBondContact O-N 3.18Å; L10-K12 PolarHBondContact O-N 3.43Å; L10-H13 CarbonylContact O-C 3.53Å; L10-H13 PolarHBondContact O-N 3.35Å; L10-H13 VanDerWaalsContact O-N 3.16Å; L10-G14 PolarHBondContact O-N 3.1Å; L10-G14 VanDerWaalsContact O-N 3.14Å; L10-L15 HydrophobicContact CB-CB 4.34Å; L10-L15 HydrophobicContact CD2-CB 4.21Å; L10-L15 HydrophobicContact CD2-CD1 3.76Å; L10-L15 PolarHBondContact O-N 2.8Å; L10-Y17 HydrophobicContact CB-CD1 3.83Å; L10-Y17 HydrophobicContact CB-CE1 4.38Å; L10-Y17 HydrophobicContact CD1-CD1 4.13Å; L10-Y17 HydrophobicContact CD1-CG 3.96Å; L10-V44 HydrophobicContact CD1-CB 3.94Å; L10-V44 HydrophobicContact CD1-CG1 3.78Å; L10-V44 HydrophobicContact CD1-CG2 4.25Å; L10-V44 HydrophobicContact CD2-CG2 4.04Å; L10-L46 HydrophobicContact CD1-CD1 4.18Å; L10-L46 HydrophobicContact CD1-CD2 4.1Å; L10-L46 HydrophobicContact CD1-CG 4.31Å
11K96.7Very high94.2Very high158 Ų15872.5 Ų72.569%0.68737%0.374SS*.Hα-helixtrans-61.4-42.4176.1-171.5175.3-179.2178.50112.5A7 H9 H13 G14 Y17A7-K11 WeakPolarHBondContact O-CB 3.33Å; A7-K11 PolarHBondContact O-N 3.21Å; H9-K11 VanDerWaalsContact C-N 3.28Å; H9-K11 PolarHBondContact O-N 3.18Å; K11-H13 PolarHBondContact O-N 2.9Å; K11-G14 PolarHBondContact O-N 3.29Å; K11-G14 VanDerWaalsContact O-N 3.13Å; K11-Y17 HydrophobicContact CB-CE1 4.4Å
12K97.4Very high94.4Very high147 Ų14770.4 Ų70.464%0.63938%0.381SS*.Hα-helixtrans-61.7-32.9176.2-75175.4179.3-178.70112.5L8 H9 L10 G14L8-K12 WeakPolarHBondContact O-CG 3.27Å; L8-K12 PolarHBondContact O-N 3.36Å; L8-K12 VanDerWaalsContact O-N 3.17Å; H9-K12 WeakPolarHBondContact O-CB 3.47Å; H9-K12 PolarHBondContact O-N 3Å; H9-K12 VanDerWaalsContact O-N 3.09Å; L10-K12 PolarHBondContact O-N 3.43Å; K12-G14 VanDerWaalsContact C-N 3.34Å
13H97.3Very high94.2Very high144 Ų14471.8 Ų71.867%0.66740%0.398SS*.THydrogen-bonded Turntrans-88.74.4177.3-71.5-72.2000113.9H9 L10 K11 L15H9-H13 PolarHBondContact O-CD2 3.43Å; H9-H13 PolarHBondContact O-N 3.09Å; L10-H13 CarbonylContact O-C 3.53Å; L10-H13 PolarHBondContact O-N 3.35Å; L10-H13 VanDerWaalsContact O-N 3.16Å; K11-H13 PolarHBondContact O-N 2.9Å; H13-L15 VanDerWaalsContact C-N 3.26Å; H13-L15 HydrophobicContact CB-CD1 4.38Å; H13-L15 HydrophobicContact CB-CG 4.33Å; H13-L15 PolarHBondContact O-N 2.96Å
14G96.8Very high94Very high62 Ų6271.7 Ų71.764%0.63940%0.398SS*.THydrogen-bonded Turntrans70.917.617900000114.5L10 K11 K12L10-G14 PolarHBondContact O-N 3.1Å; L10-G14 VanDerWaalsContact O-N 3.14Å; K11-G14 PolarHBondContact O-N 3.29Å; K11-G14 VanDerWaalsContact O-N 3.13Å; K12-G14 VanDerWaalsContact C-N 3.34Å
15L96.6Very high93.8Very high63 Ų6368 Ų6833%0.3339%0.385SS..  trans-86.8132.7179.3-63.8173.6000110.7L10 H13L10-L15 HydrophobicContact CB-CB 4.34Å; L10-L15 HydrophobicContact CD2-CB 4.21Å; L10-L15 HydrophobicContact CD2-CD1 3.76Å; L10-L15 PolarHBondContact O-N 2.8Å; H13-L15 VanDerWaalsContact C-N 3.26Å; H13-L15 HydrophobicContact CB-CD1 4.38Å; H13-L15 HydrophobicContact CB-CG 4.33Å; H13-L15 PolarHBondContact O-N 2.96Å
16T96.6Very high93.5Very high74 Ų7468.9 Ų68.945%0.45439%0.392SS..  trans-77.5139.6175.6590000110.5P42 Q43 V44T16-P42 WeakPolarHBondContact OG1-CA 3.27Å; T16-Q43 PolarHBondContact O-N 3.31Å; T16-Q43 PolarHBondContact OG1-N 3.48Å; T16-V44 PolarHBondContact O-N 3.19Å; T16-V44 VanDerWaalsContact O-N 3.1Å
17Y96.8Very high93.2Very high89 Ų8974.8 Ų74.835%0.34942%0.416SS..EExtended strand (participates in β ladder)trans-145.1154.8179.470.5-89.2000112.8A7 L10 K11 V44 L46A7-Y17 HydrophobicContact CB-CD2 4.37Å; A7-Y17 HydrophobicContact CB-CE1 4.3Å; A7-Y17 HydrophobicContact CB-CE2 3.63Å; L10-Y17 HydrophobicContact CB-CD1 3.83Å; L10-Y17 HydrophobicContact CB-CE1 4.38Å; L10-Y17 HydrophobicContact CD1-CD1 4.13Å; L10-Y17 HydrophobicContact CD1-CG 3.96Å; K11-Y17 HydrophobicContact CB-CE1 4.4Å; Y17-V44 CarbonylContact C-O 3.56Å; Y17-V44 WeakPolarHBondContact CA-O 3.42Å; Y17-V44 WeakPolarHBondContact CB-O 2.99Å; Y17-L46 HydrophobicContact CD2-CD1 3.75Å; Y17-L46 HydrophobicContact CD2-CG 4.39Å; Y17-L46 HydrophobicContact CE2-CD1 4.2Å; Y17-L46 HydrophobicContact CG-CD1 4.38Å
18A95.3Very high93Very high8 Ų879.2 Ų79.27%0.06644%0.435CS..EExtended strand (participates in β ladder)trans-115.7161.6167.400000109.8L32 P42 V44 M45 L46A18-L32 HydrophobicContact CB-CD2 3.94Å; A18-P42 HydrophobicContact CB-CB 4.2Å; A18-P42 HydrophobicContact CB-CG 3.72Å; A18-V44 PolarHBondContact N-O 3.45Å; A18-M45 HydrophobicContact CB-CE 3.59Å; A18-M45 HydrophobicContact CB-SD 3.72Å; A18-L46 WeakPolarHBondContact O-CB 3.43Å; A18-L46 PolarHBondContact O-N 3.1Å
19T93.9Very high92.7Very high41 Ų4176.2 Ų76.225%0.25242%0.416SS..EExtended strand (participates in β ladder)trans-135.4129.9177.8-55.60000110.6L46T19-L46 CarbonylContact C-O 3.5Å; T19-L46 VanDerWaalsContact CA-O 3.28Å; T19-L46 WeakPolarHBondContact CA-O 3.09Å; T19-L46 HydrophobicContact CG2-CB 4.17Å
20I91.7Very high92.4Very high0 Ų077.1 Ų77.10%042%0.422CS..EExtended strand (participates in β ladder)trans-120108.2171.7-63171.9000108R29 L32 V33 M45 L46 I47 S48 L56I20-R29 HydrophobicContact CD1-CG 4.01Å; I20-R29 HydrophobicContact CG1-CG 4.34Å; I20-R29 HydrophobicContact CG2-CG 3.83Å; I20-L32 HydrophobicContact CD1-CB 4.27Å; I20-L32 HydrophobicContact CG1-CB 4.37Å; I20-L32 HydrophobicContact CG1-CD1 4.03Å; I20-V33 HydrophobicContact CD1-CG2 3.77Å; I20-M45 HydrophobicContact CD1-CE 4.14Å; I20-M45 HydrophobicContact CD1-SD 3.73Å; I20-M45 HydrophobicContact CG1-SD 3.84Å; I20-L46 PolarHBondContact N-O 2.86Å; I20-I47 HydrophobicContact CB-CG1 4.4Å; I20-I47 WeakPolarHBondContact O-CA 3.27Å; I20-S48 PolarHBondContact O-N 3.33Å; I20-L56 HydrophobicContact CD1-CD1 4.25Å; I20-L56 HydrophobicContact CG2-CD1 4.36Å
21D87.9Confident92.3Very high37 Ų3780.2 Ų80.220%0.19844%0.439CS..  trans-126.1-171.7170.570.816.6000110.9S23 V24D21-S23 PolarHBondContact O-N 3.45Å; D21-S23 VanDerWaalsContact O-N 3.14Å; D21-S23 WeakPolarHBondContact OD1-CA 3.44Å; D21-S23 VanDerWaalsContact OD1-CB 3.32Å; D21-S23 WeakPolarHBondContact OD1-CB 3.42Å; D21-S23 PolarHBondContact OD1-N 3.16Å; D21-S23 PolarHBondContact OD1-OG 3.17Å; D21-V24 PolarHBondContact O-N 3.41Å
22G82.6Confident92.1Very high76 Ų7675.2 Ų75.278%0.78442%0.419SS*.THydrogen-bonded Turntrans-65.1-11.3-179.100000115
23S85.8Confident92Very high100 Ų10068.7 Ų68.770%0.69939%0.392SS*.THydrogen-bonded Turntrans-89.8-16.5179.872.50000113.8D21 N25D21-S23 PolarHBondContact O-N 3.45Å; D21-S23 VanDerWaalsContact O-N 3.14Å; D21-S23 WeakPolarHBondContact OD1-CA 3.44Å; D21-S23 VanDerWaalsContact OD1-CB 3.32Å; D21-S23 WeakPolarHBondContact OD1-CB 3.42Å; D21-S23 PolarHBondContact OD1-N 3.16Å; D21-S23 PolarHBondContact OD1-OG 3.17Å; S23-N25 PolarHBondContact O-N 3.35Å
24V86.9Confident91.8Very high19 Ų1967.5 Ų67.512%0.11539%0.386CS..SBendtrans-78.8123.2-177.6-175.60000110.2D21 Q28 R29 L32D21-V24 PolarHBondContact O-N 3.41Å; V24-Q28 HydrophobicContact CG1-CB 3.88Å; V24-R29 HydrophobicContact CG1-CB 4.1Å; V24-R29 PolarHBondContact O-NH2 3.1Å; V24-L32 HydrophobicContact CG1-CD1 4.06Å
25N89.7Confident91.7Very high71 Ų7166.5 Ų66.538%0.3837%0.372SS..  trans-67.4159179.476.149.3000111.9S23 K27 Q28 R29S23-N25 PolarHBondContact O-N 3.35Å; N25-K27 VanDerWaalsContact C-N 3.33Å; N25-K27 PolarHBondContact O-N 2.88Å; N25-K27 PolarHBondContact OD1-N 3.21Å; N25-Q28 PolarHBondContact ND2-OE1 3.02Å; N25-Q28 PolarHBondContact O-N 2.81Å; N25-Q28 WeakPolarHBondContact OD1-CB 3.42Å; N25-Q28 WeakPolarHBondContact OD1-CG 3.44Å; N25-Q28 PolarHBondContact OD1-N 2.82Å; N25-R29 WeakPolarHBondContact O-CB 3.47Å; N25-R29 PolarHBondContact O-N 3.46Å
26P87.9Confident91.7Very high95 Ų9564.5 Ų64.562%0.61736%0.361SS*.Hα-helixtrans-58.7-38.2-173.6-27.736.2000114.8R29 M30P26-R29 WeakPolarHBondContact O-CB 3.49Å; P26-R29 PolarHBondContact O-N 2.72Å; P26-M30 WeakPolarHBondContact O-CG 3.2Å; P26-M30 PolarHBondContact O-N 2.89Å
27K90Very high91.6Very high154 Ų15463.4 Ų63.467%0.6735%0.352SS*.Hα-helixtrans-67.4-53.5-179.2-177.1178.31771800111N25 R29 M30 D31N25-K27 VanDerWaalsContact C-N 3.33Å; N25-K27 PolarHBondContact O-N 2.88Å; N25-K27 PolarHBondContact OD1-N 3.21Å; K27-R29 PolarHBondContact O-N 3.03Å; K27-M30 WeakPolarHBondContact O-CB 3.43Å; K27-M30 PolarHBondContact O-N 3.47Å; K27-D31 PolarHBondContact O-N 3.31Å; K27-D31 VanDerWaalsContact O-N 3.11Å
28Q91.4Very high91.4Very high103 Ų10364.6 Ų64.648%0.48136%0.361SS..Hα-helixtrans-58.1-36177.5-72.9176.3-24.600111.9V24 N25 M30 D31 L32V24-Q28 HydrophobicContact CG1-CB 3.88Å; N25-Q28 PolarHBondContact ND2-OE1 3.02Å; N25-Q28 PolarHBondContact O-N 2.81Å; N25-Q28 WeakPolarHBondContact OD1-CB 3.42Å; N25-Q28 WeakPolarHBondContact OD1-CG 3.44Å; N25-Q28 PolarHBondContact OD1-N 2.82Å; Q28-M30 VanDerWaalsContact C-N 3.34Å; Q28-M30 PolarHBondContact O-N 3Å; Q28-D31 PolarHBondContact O-N 3.25Å; Q28-L32 VanDerWaalsContact O-CG 3.24Å; Q28-L32 WeakPolarHBondContact O-CG 3.44Å; Q28-L32 PolarHBondContact O-N 3.15Å
29R91.3Very high90.7Very high41 Ų4170.4 Ų70.416%0.15540%0.401CS..Hα-helixtrans-59.5-44.6175.6-171.1-177-54.6153.43.9111.9I20 V24 N25 P26 K27 L32 V33 L56I20-R29 HydrophobicContact CD1-CG 4.01Å; I20-R29 HydrophobicContact CG1-CG 4.34Å; I20-R29 HydrophobicContact CG2-CG 3.83Å; V24-R29 HydrophobicContact CG1-CB 4.1Å; V24-R29 PolarHBondContact O-NH2 3.1Å; N25-R29 WeakPolarHBondContact O-CB 3.47Å; N25-R29 PolarHBondContact O-N 3.46Å; P26-R29 WeakPolarHBondContact O-CB 3.49Å; P26-R29 PolarHBondContact O-N 2.72Å; K27-R29 PolarHBondContact O-N 3.03Å; R29-L32 PolarHBondContact O-N 2.91Å; R29-V33 VanDerWaalsContact O-CG2 3.27Å; R29-V33 WeakPolarHBondContact O-CG2 3.36Å; R29-V33 PolarHBondContact O-N 3.14Å; R29-L56 HydrophobicContact CG-CD2 4.18Å
30M91.3Very high90.4Very high117 Ų11780 Ų8058%0.57643%0.433SS*.Hα-helixtrans-64.9-43.5177.5-67-57.8-62.300111.3P26 K27 Q28 L32 V33 E34P26-M30 WeakPolarHBondContact O-CG 3.2Å; P26-M30 PolarHBondContact O-N 2.89Å; K27-M30 WeakPolarHBondContact O-CB 3.43Å; K27-M30 PolarHBondContact O-N 3.47Å; Q28-M30 VanDerWaalsContact C-N 3.34Å; Q28-M30 PolarHBondContact O-N 3Å; M30-L32 VanDerWaalsContact C-N 3.29Å; M30-L32 PolarHBondContact O-N 3.46Å; M30-V33 PolarHBondContact O-N 3.12Å; M30-E34 WeakPolarHBondContact O-CB 3.42Å; M30-E34 PolarHBondContact O-N 3Å
31D93.5Very high90.4Very high85 Ų8581 Ų8146%0.45544%0.443SS..Hα-helixtrans-59.1-41.5177.3-57.2-24.9000111.3K27 Q28 A35K27-D31 PolarHBondContact O-N 3.31Å; K27-D31 VanDerWaalsContact O-N 3.11Å; Q28-D31 PolarHBondContact O-N 3.25Å; D31-A35 VanDerWaalsContact O-CB 3.3Å; D31-A35 WeakPolarHBondContact O-CB 3.5Å; D31-A35 PolarHBondContact O-N 3.25Å
32L94.3Very high90.8Very high54 Ų5480.5 Ų80.528%0.28344%0.442SS..Hα-helixtrans-67-40177-70.4169.8000112.8A18 I20 V24 Q28 R29 M30 F36 M45A18-L32 HydrophobicContact CB-CD2 3.94Å; I20-L32 HydrophobicContact CD1-CB 4.27Å; I20-L32 HydrophobicContact CG1-CB 4.37Å; I20-L32 HydrophobicContact CG1-CD1 4.03Å; V24-L32 HydrophobicContact CG1-CD1 4.06Å; Q28-L32 VanDerWaalsContact O-CG 3.24Å; Q28-L32 WeakPolarHBondContact O-CG 3.44Å; Q28-L32 PolarHBondContact O-N 3.15Å; R29-L32 PolarHBondContact O-N 2.91Å; M30-L32 VanDerWaalsContact C-N 3.29Å; M30-L32 PolarHBondContact O-N 3.46Å; L32-F36 WeakPolarHBondContact O-CB 3.3Å; L32-F36 PolarHBondContact O-N 3Å; L32-M45 HydrophobicContact CB-CE 4.33Å; L32-M45 WeakPolarHBondContact O-CE 3.48Å
33V93.4Very high91.4Very high10 Ų1082.7 Ų82.76%0.06143%0.431CS..Hα-helixtrans-65-46.9176.5168.10000110.5I20 R29 M30 A35 F36 N37 L56 N57 L58I20-V33 HydrophobicContact CD1-CG2 3.77Å; R29-V33 VanDerWaalsContact O-CG2 3.27Å; R29-V33 WeakPolarHBondContact O-CG2 3.36Å; R29-V33 PolarHBondContact O-N 3.14Å; M30-V33 PolarHBondContact O-N 3.12Å; V33-A35 VanDerWaalsContact C-N 3.35Å; V33-A35 PolarHBondContact O-N 3.17Å; V33-F36 PolarHBondContact O-N 3.27Å; V33-N37 PolarHBondContact O-N 3.37Å; V33-N37 VanDerWaalsContact O-N 3.08Å; V33-N37 PolarHBondContact O-ND2 2.86Å; V33-L56 HydrophobicContact CG2-CB 4.44Å; V33-L56 HydrophobicContact CG2-CD2 4.11Å; V33-N57 WeakPolarHBondContact CG1-O 3.38Å; V33-L58 HydrophobicContact CG1-CD2 4.36Å; V33-L58 HydrophobicContact CG2-CD2 4.12Å
34E94.2Very high91.9Very high118 Ų11880 Ų8055%0.55141%0.41SS*.Hα-helixtrans-60.8-45.9177.1-175.5177.4178.800110.9M30 F36 N37 H38M30-E34 WeakPolarHBondContact O-CB 3.42Å; M30-E34 PolarHBondContact O-N 3Å; E34-F36 VanDerWaalsContact C-N 3.34Å; E34-F36 PolarHBondContact O-N 3.13Å; E34-N37 PolarHBondContact O-N 3.16Å; E34-H38 PolarHBondContact O-N 2.92Å; E34-H38 PolarHBondContact O-ND1 3.04Å
35A95.1Very high92.3Very high41 Ų4180.3 Ų80.334%0.33941%0.411SS..Hα-helixtrans-58.7-44.9176.600000111.9D31 V33 N37 H38 G41D31-A35 VanDerWaalsContact O-CB 3.3Å; D31-A35 WeakPolarHBondContact O-CB 3.5Å; D31-A35 PolarHBondContact O-N 3.25Å; V33-A35 VanDerWaalsContact C-N 3.35Å; V33-A35 PolarHBondContact O-N 3.17Å; A35-N37 VanDerWaalsContact C-N 3.33Å; A35-N37 PolarHBondContact O-N 3.03Å; A35-H38 PolarHBondContact O-N 2.97Å; A35-G41 WeakPolarHBondContact O-CA 3.46Å
36F95.4Very high92.6Very high22 Ų2277.4 Ų77.410%0.09640%0.396CS..Hα-helixtrans-64.8-33.6179.5-179.9-109.9000113.9L32 V33 E34 H38 P42 M45 L58L32-F36 WeakPolarHBondContact O-CB 3.3Å; L32-F36 PolarHBondContact O-N 3Å; V33-F36 PolarHBondContact O-N 3.27Å; E34-F36 VanDerWaalsContact C-N 3.34Å; E34-F36 PolarHBondContact O-N 3.13Å; F36-H38 PolarHBondContact O-N 3.14Å; F36-P42 HydrophobicContact CB-CG 4.33Å; F36-P42 HydrophobicContact CD2-CG 4.21Å; F36-P42 WeakPolarHBondContact CD2-O 3.43Å; F36-M45 HydrophobicContact CB-CE 3.44Å; F36-M45 VanDerWaalsContact CB-CE 3.44Å; F36-M45 HydrophobicContact CD1-CB 4.14Å; F36-M45 HydrophobicContact CD1-CE 4.45Å; F36-M45 HydrophobicContact CD2-CB 3.7Å; F36-M45 HydrophobicContact CD2-CE 4.27Å; F36-M45 HydrophobicContact CE1-CB 4.06Å; F36-M45 HydrophobicContact CE2-CB 3.61Å; F36-M45 HydrophobicContact CG-CB 3.95Å; F36-M45 HydrophobicContact CG-CE 3.81Å; F36-M45 HydrophobicContact CZ-CB 3.79Å; F36-L58 HydrophobicContact CD1-CB 4.33Å; F36-L58 HydrophobicContact CD1-CD2 3.96Å; F36-L58 HydrophobicContact CE1-CB 4.1Å; F36-L58 HydrophobicContact CE1-CD2 4.41Å
37N94.3Very high92.7Very high50 Ų5074.7 Ų74.727%0.26738%0.375SS..Hα-helixtrans-75.2-10.4178-68.7-27.2000113.6V33 E34 A35 N57 L58 T59 G60V33-N37 PolarHBondContact O-N 3.37Å; V33-N37 VanDerWaalsContact O-N 3.08Å; V33-N37 PolarHBondContact O-ND2 2.86Å; E34-N37 PolarHBondContact O-N 3.16Å; A35-N37 VanDerWaalsContact C-N 3.33Å; A35-N37 PolarHBondContact O-N 3.03Å; N37-N57 PolarHBondContact ND2-O 3.46Å; N37-L58 VanDerWaalsContact OD1-C 3.31Å; N37-L58 WeakPolarHBondContact OD1-CA 3.27Å; N37-T59 PolarHBondContact OD1-N 2.71Å; N37-T59 VanDerWaalsContact OD1-N 3.14Å; N37-G60 PolarHBondContact OD1-N 2.92Å
38H92.5Very high92.7Very high115 Ų11569 Ų6953%0.53236%0.355SS..SBendtrans-91.5147.7175.2-77.393.3000112.2E34 A35 F36 R40 G41E34-H38 PolarHBondContact O-N 2.92Å; E34-H38 PolarHBondContact O-ND1 3.04Å; A35-H38 PolarHBondContact O-N 2.97Å; F36-H38 PolarHBondContact O-N 3.14Å; H38-R40 PolarHBondContact O-N 3.18Å; H38-R40 VanDerWaalsContact O-N 3.09Å; H38-G41 PolarHBondContact O-N 3.09Å
39S81.3Confident92.3Very high130 Ų13066 Ų6691%0.90934%0.342SS*.THydrogen-bonded Turntrans-62.6-19.2-178.657.40000115.2
40R88.4Confident91.6Very high243 Ų24370.1 Ų70.192%0.91737%0.366SS*.THydrogen-bonded Turntrans-98.47.5175.3-69.9-172.8-90-171.7-6113.2H38H38-R40 PolarHBondContact O-N 3.18Å; H38-R40 VanDerWaalsContact O-N 3.09Å
41G91.6Very high90.4Very high21 Ų2165.3 Ų65.322%0.21635%0.346CS..SBendtrans-71.2-180178.700000114.6A35 H38A35-G41 WeakPolarHBondContact O-CA 3.46Å; H38-G41 PolarHBondContact O-N 3.09Å
42P95.9Very high88.5Confident26 Ų2661.5 Ų61.517%0.16933%0.326CS..  trans-60141.817024.6-31.5000111.2T16 A18 F36 V44T16-P42 WeakPolarHBondContact OG1-CA 3.27Å; A18-P42 HydrophobicContact CB-CB 4.2Å; A18-P42 HydrophobicContact CB-CG 3.72Å; F36-P42 HydrophobicContact CB-CG 4.33Å; F36-P42 HydrophobicContact CD2-CG 4.21Å; F36-P42 WeakPolarHBondContact CD2-O 3.43Å; P42-V44 VanDerWaalsContact C-N 3.29Å; P42-V44 PolarHBondContact O-N 3.46Å
43Q95.3Very high86.7Confident122 Ų12262.3 Ų62.357%0.5735%0.348SS*.SBendtrans-69.4-28.4178.2-66.3172.9-80.500112.6T16T16-Q43 PolarHBondContact O-N 3.31Å; T16-Q43 PolarHBondContact OG1-N 3.48Å
44V96.5Very high85.3Confident43 Ų4364.9 Ų64.926%0.26136%0.363SS..EExtended strand (participates in β ladder)trans-129.9133.8-177.6-1770000110.9L10 T16 Y17 A18 P42 L46L10-V44 HydrophobicContact CD1-CB 3.94Å; L10-V44 HydrophobicContact CD1-CG1 3.78Å; L10-V44 HydrophobicContact CD1-CG2 4.25Å; L10-V44 HydrophobicContact CD2-CG2 4.04Å; T16-V44 PolarHBondContact O-N 3.19Å; T16-V44 VanDerWaalsContact O-N 3.1Å; Y17-V44 CarbonylContact C-O 3.56Å; Y17-V44 WeakPolarHBondContact CA-O 3.42Å; Y17-V44 WeakPolarHBondContact CB-O 2.99Å; A18-V44 PolarHBondContact N-O 3.45Å; P42-V44 VanDerWaalsContact C-N 3.29Å; P42-V44 PolarHBondContact O-N 3.46Å; V44-L46 HydrophobicContact CG1-CD2 3.95Å; V44-L46 HydrophobicContact CG1-CG 4.39Å
45M95.5Very high84.2Confident26 Ų2662.4 Ų62.413%0.12837%0.37CS..EExtended strand (participates in β ladder)trans-107.2114.9169.6-179.461.670.900109.5A18 I20 L32 F36 I47 L58A18-M45 HydrophobicContact CB-CE 3.59Å; A18-M45 HydrophobicContact CB-SD 3.72Å; I20-M45 HydrophobicContact CD1-CE 4.14Å; I20-M45 HydrophobicContact CD1-SD 3.73Å; I20-M45 HydrophobicContact CG1-SD 3.84Å; L32-M45 HydrophobicContact CB-CE 4.33Å; L32-M45 WeakPolarHBondContact O-CE 3.48Å; F36-M45 HydrophobicContact CB-CE 3.44Å; F36-M45 VanDerWaalsContact CB-CE 3.44Å; F36-M45 HydrophobicContact CD1-CB 4.14Å; F36-M45 HydrophobicContact CD1-CE 4.45Å; F36-M45 HydrophobicContact CD2-CB 3.7Å; F36-M45 HydrophobicContact CD2-CE 4.27Å; F36-M45 HydrophobicContact CE1-CB 4.06Å; F36-M45 HydrophobicContact CE2-CB 3.61Å; F36-M45 HydrophobicContact CG-CB 3.95Å; F36-M45 HydrophobicContact CG-CE 3.81Å; F36-M45 HydrophobicContact CZ-CB 3.79Å; M45-I47 HydrophobicContact CG-CD1 3.62Å; M45-I47 HydrophobicContact CG-CG1 3.58Å; M45-I47 HydrophobicContact SD-CG1 4.34Å; M45-L58 HydrophobicContact CG-CD2 4.44Å
46L94.8Very high83.8Confident10 Ų1060.7 Ų60.75%0.05236%0.355CS..EExtended strand (participates in β ladder)trans-90.4119.6176.3-62.6179.5000109.7L3 V6 A7 L10 Y17 A18 T19 I20 V44L3-L46 HydrophobicContact CD2-CB 4.23Å; V6-L46 HydrophobicContact CB-CD2 4.3Å; V6-L46 HydrophobicContact CG1-CD2 3.71Å; A7-L46 HydrophobicContact CB-CD1 3.75Å; L10-L46 HydrophobicContact CD1-CD1 4.18Å; L10-L46 HydrophobicContact CD1-CD2 4.1Å; L10-L46 HydrophobicContact CD1-CG 4.31Å; Y17-L46 HydrophobicContact CD2-CD1 3.75Å; Y17-L46 HydrophobicContact CD2-CG 4.39Å; Y17-L46 HydrophobicContact CE2-CD1 4.2Å; Y17-L46 HydrophobicContact CG-CD1 4.38Å; A18-L46 WeakPolarHBondContact O-CB 3.43Å; A18-L46 PolarHBondContact O-N 3.1Å; T19-L46 CarbonylContact C-O 3.5Å; T19-L46 VanDerWaalsContact CA-O 3.28Å; T19-L46 WeakPolarHBondContact CA-O 3.09Å; T19-L46 HydrophobicContact CG2-CB 4.17Å; I20-L46 PolarHBondContact N-O 2.86Å; V44-L46 HydrophobicContact CG1-CD2 3.95Å; V44-L46 HydrophobicContact CG1-CG 4.39Å
47I91.6Very high83.6Confident37 Ų3762.5 Ų62.519%0.1937%0.365CS..EExtended strand (participates in β ladder)trans-128.8134.1-176.4-53.9-170.8000110.2I20 M45 L56 L58I20-I47 HydrophobicContact CB-CG1 4.4Å; I20-I47 WeakPolarHBondContact O-CA 3.27Å; M45-I47 HydrophobicContact CG-CD1 3.62Å; M45-I47 HydrophobicContact CG-CG1 3.58Å; M45-I47 HydrophobicContact SD-CG1 4.34Å; I47-L56 HydrophobicContact CD1-CD1 4.36Å; I47-L58 HydrophobicContact CD1-CD1 3.23Å; I47-L58 HydrophobicContact CD1-CD2 4.33Å; I47-L58 HydrophobicContact CD1-CG 4.41Å
48S89Confident83.5Confident35 Ų3560.4 Ų60.425%0.24535%0.354CS..  trans-73.4131.5167.7174.40000109.7I20 L50 A51I20-S48 PolarHBondContact O-N 3.33Å; S48-L50 PolarHBondContact O-N 3.32Å; S48-L50 VanDerWaalsContact O-N 3.12Å; S48-A51 WeakPolarHBondContact O-CA 3.41Å; S48-A51 VanDerWaalsContact O-CB 3.31Å; S48-A51 WeakPolarHBondContact O-CB 3.48Å; S48-A51 PolarHBondContact O-N 3.01Å
49L83.4Confident83.6Confident41 Ų4156.2 Ų56.222%0.21534%0.337CS..G310 helixtrans-54.5-35.4178.7-168.267.7000112.1G52 H70 L75 A79L49-G52 VanDerWaalsContact O-CA 3.25Å; L49-G52 WeakPolarHBondContact O-CA 3.41Å; L49-G52 PolarHBondContact O-N 3.5Å; L49-H70 HydrophobicContact CD2-CB 3.39Å; L49-L75 HydrophobicContact CD1-CB 4.45Å; L49-L75 WeakPolarHBondContact CD1-O 3.39Å; L49-L75 HydrophobicContact CD2-CB 4.11Å; L49-L75 HydrophobicContact CG-CB 4.12Å; L49-A79 HydrophobicContact CD1-CB 3.85Å
50L76.1Confident84.2Confident126 Ų12651.7 Ų51.766%0.6631%0.311SS*.G310 helixtrans-80.9-15.4178.4-61.3178.1000114S48 G52 L75S48-L50 PolarHBondContact O-N 3.32Å; S48-L50 VanDerWaalsContact O-N 3.12Å; L50-G52 PolarHBondContact O-N 3.24Å; L50-L75 HydrophobicContact CD2-CD1 3.95Å
51A66.4Low84.4Confident17 Ų1740.6 Ų40.614%0.1427%0.272CS..G310 helixtrans-70.17.9161.300000111.5S48 G53 R82S48-A51 WeakPolarHBondContact O-CA 3.41Å; S48-A51 VanDerWaalsContact O-CB 3.31Å; S48-A51 WeakPolarHBondContact O-CB 3.48Å; S48-A51 PolarHBondContact O-N 3.01Å; A51-G53 PolarHBondContact O-N 3.49Å; A51-R82 PolarHBondContact O-NH2 3.2Å
52G52.5Low84.5Confident4 Ų441.5 Ų41.54%0.04127%0.272CS..G310 helixtrans-50.4-31.6173.200000117.8L49 L50 V54 Q78 R82L49-G52 VanDerWaalsContact O-CA 3.25Å; L49-G52 WeakPolarHBondContact O-CA 3.41Å; L49-G52 PolarHBondContact O-N 3.5Å; L50-G52 PolarHBondContact O-N 3.24Å; G52-V54 PolarHBondContact O-N 3.14Å; G52-Q78 PolarHBondContact O-NE2 3.43Å; G52-Q78 PolarHBondContact O-OE1 3.09Å; G52-R82 VanDerWaalsContact CA-CZ 3.49Å; G52-R82 PolarHBondContact O-NH2 2.96Å
53G56.7Low84.5Confident72 Ų7244.5 Ų44.574%0.74228%0.283SS*.G310 helixtrans-68.3-2.3-166.600000116.7A51A51-G53 PolarHBondContact O-N 3.49Å
54V63.9Low84.5Confident63 Ų6340 Ų4038%0.38226%0.263SS..SBendtrans-115.1132.6178.6-1740000109G52 L56 R82G52-V54 PolarHBondContact O-N 3.14Å; V54-L56 VanDerWaalsContact C-N 3.31Å; V54-L56 HydrophobicContact CB-CD2 4.29Å; V54-L56 HydrophobicContact CG1-CD2 4Å; V54-L56 PolarHBondContact O-N 3.37Å; V54-R82 PolarHBondContact O-NH2 2.91Å
55G72.6Confident84.4Confident67 Ų6743.1 Ų43.169%0.69127%0.273SS*.  trans-67.885.8176.500000111.1
56L86.7Confident84.2Confident5 Ų542.5 Ų42.53%0.02627%0.27CS..  trans-85.8138.3174.5-53.1-179.5000109.3I20 R29 V33 I47 V54 L58 R82I20-L56 HydrophobicContact CD1-CD1 4.25Å; I20-L56 HydrophobicContact CG2-CD1 4.36Å; R29-L56 HydrophobicContact CG-CD2 4.18Å; V33-L56 HydrophobicContact CG2-CB 4.44Å; V33-L56 HydrophobicContact CG2-CD2 4.11Å; I47-L56 HydrophobicContact CD1-CD1 4.36Å; V54-L56 VanDerWaalsContact C-N 3.31Å; V54-L56 HydrophobicContact CB-CD2 4.29Å; V54-L56 HydrophobicContact CG1-CD2 4Å; V54-L56 PolarHBondContact O-N 3.37Å; L56-L58 HydrophobicContact CB-CD1 4.5Å; L56-L58 HydrophobicContact CB-CD2 4.48Å; L56-L58 HydrophobicContact CB-CG 4.23Å; L56-R82 WeakPolarHBondContact O-CB 3.44Å; L56-R82 WeakPolarHBondContact O-CG 3.31Å
57N90.8Very high84.1Confident60 Ų6044.8 Ų44.832%0.32128%0.282SS..  trans-103.1113.8172.4-169.822.7000108.9V33 N37 T59V33-N57 WeakPolarHBondContact CG1-O 3.38Å; N37-N57 PolarHBondContact ND2-O 3.46Å; N57-T59 WeakPolarHBondContact OD1-CG2 3.37Å
58L93.1Very high83.8Confident6 Ų647.5 Ų47.53%0.03130%0.297CS..  trans-121.540.2-171.3-60.1172.7000111.3V33 F36 N37 M45 I47 L56 G60 G61 R82 I83V33-L58 HydrophobicContact CG1-CD2 4.36Å; V33-L58 HydrophobicContact CG2-CD2 4.12Å; F36-L58 HydrophobicContact CD1-CB 4.33Å; F36-L58 HydrophobicContact CD1-CD2 3.96Å; F36-L58 HydrophobicContact CE1-CB 4.1Å; F36-L58 HydrophobicContact CE1-CD2 4.41Å; N37-L58 VanDerWaalsContact OD1-C 3.31Å; N37-L58 WeakPolarHBondContact OD1-CA 3.27Å; M45-L58 HydrophobicContact CG-CD2 4.44Å; I47-L58 HydrophobicContact CD1-CD1 3.23Å; I47-L58 HydrophobicContact CD1-CD2 4.33Å; I47-L58 HydrophobicContact CD1-CG 4.41Å; L56-L58 HydrophobicContact CB-CD1 4.5Å; L56-L58 HydrophobicContact CB-CD2 4.48Å; L56-L58 HydrophobicContact CB-CG 4.23Å; L58-G60 PolarHBondContact O-N 2.75Å; L58-G60 VanDerWaalsContact O-N 3.17Å; L58-G61 PolarHBondContact O-N 2.97Å; L58-G61 VanDerWaalsContact O-N 3.14Å; L58-R82 WeakPolarHBondContact CA-O 3.39Å; L58-R82 HydrophobicContact CD1-CB 3.94Å; L58-R82 HydrophobicContact CG-CB 4.31Å; L58-R82 PolarHBondContact N-O 3.02Å; L58-I83 HydrophobicContact CB-CG1 4.01Å
59T93.9Very high83.6Confident27 Ų2747 Ų4717%0.16629%0.291CS..THydrogen-bonded Turntrans-66.9-10.8-176.749.90000114.1N37 N57 G61 R85 Q88N37-T59 PolarHBondContact OD1-N 2.71Å; N37-T59 VanDerWaalsContact OD1-N 3.14Å; N57-T59 WeakPolarHBondContact OD1-CG2 3.37Å; T59-G61 VanDerWaalsContact C-N 3.26Å; T59-G61 PolarHBondContact O-N 3.04Å; T59-R85 HydrophobicContact CG2-CB 4.49Å; T59-Q88 HydrophobicContact CG2-CB 4.2Å; T59-Q88 PolarHBondContact O-NE2 2.99Å
60G92.8Very high83.8Confident35 Ų3546.8 Ų46.836%0.36129%0.289SS..THydrogen-bonded Turntrans-66.1-27.517000000113.7N37 L58N37-G60 PolarHBondContact OD1-N 2.92Å; L58-G60 PolarHBondContact O-N 2.75Å; L58-G60 VanDerWaalsContact O-N 3.17Å
61G93.2Very high84.3Confident10 Ų1044.5 Ų44.510%0.10327%0.272CS..  trans-91.7153.6173.800000111.6L58 T59 I83 Q88L58-G61 PolarHBondContact O-N 2.97Å; L58-G61 VanDerWaalsContact O-N 3.14Å; T59-G61 VanDerWaalsContact C-N 3.26Å; T59-G61 PolarHBondContact O-N 3.04Å; G61-I83 VanDerWaalsContact O-CG2 3.29Å; G61-I83 WeakPolarHBondContact O-CG2 3.25Å; G61-Q88 PolarHBondContact O-NE2 3.15Å
62N94.5Very high85.3Confident39 Ų3945.4 Ų45.421%0.20927%0.274CS..  trans-137.93.8172.373.7-57.4000112.9K90 D91 V92 V93N62-K90 HydrophobicContact CB-CB 3.83Å; N62-K90 HydrophobicContact CB-CD 4.3Å; N62-D91 WeakPolarHBondContact CB-O 3.41Å; N62-D91 PolarHBondContact ND2-O 3.05Å; N62-D91 VanDerWaalsContact ND2-O 3.14Å; N62-V92 CarbonylContact O-C 3.51Å; N62-V92 VanDerWaalsContact O-CA 3.29Å; N62-V92 WeakPolarHBondContact O-CA 3.45Å; N62-V93 PolarHBondContact O-N 3.07Å
63H95.6Very high87Confident90 Ų9045.4 Ų45.442%0.41727%0.273SS..EExtended strand (participates in β ladder)trans-121124.7169.5-72.2-115.5000108.9F65 V93 H95H63-F65 HydrophobicContact CB-CE2 3.76Å; H63-F65 HydrophobicContact CB-CZ 4.13Å; H63-V93 WeakPolarHBondContact CA-O 3.5Å; H63-H95 AromaticContact ND1-CD2 4Å; H63-H95 AromaticContact ND1-NE2 3.15Å; H63-H95 PolarHBondContact ND1-NE2 3.42Å; H63-H95 VanDerWaalsContact ND1-NE2 3.15Å
64L94.3Very high88.4Confident27 Ų2745.4 Ų45.414%0.14126%0.262CS..EExtended strand (participates in β ladder)trans-108.4124.8173.7178.156.6000109.2L66 C80 I83 V93 I94 H95L64-L66 HydrophobicContact CD2-CD2 4.33Å; L64-L66 HydrophobicContact CG-CD2 4.39Å; L64-L66 HydrophobicContact CG-CG 4.4Å; L64-C80 HydrophobicContact CD2-CB 4.38Å; L64-I83 HydrophobicContact CB-CD1 3.77Å; L64-I83 HydrophobicContact CD1-CD1 3.87Å; L64-I83 HydrophobicContact CD2-CD1 4.37Å; L64-I83 HydrophobicContact CG-CD1 4.2Å; L64-V93 PolarHBondContact N-O 3.33Å; L64-I94 HydrophobicContact CB-CG1 4.32Å; L64-I94 HydrophobicContact CD2-CG1 4.44Å; L64-I94 HydrophobicContact CD2-CG2 4.36Å; L64-H95 PolarHBondContact O-N 3.34Å
65F94.7Very high89.5Confident108 Ų10844 Ų4447%0.47425%0.253SS..EExtended strand (participates in β ladder)trans-108.8109.9174.7-60.6-87.8000109.5H63 L67 H95 F97H63-F65 HydrophobicContact CB-CE2 3.76Å; H63-F65 HydrophobicContact CB-CZ 4.13Å; F65-L67 HydrophobicContact CB-CD2 4.36Å; F65-L67 PolarHBondContact O-N 2.9Å; F65-H95 HydrophobicContact CD1-CB 3.52Å; F65-H95 AromaticContact CD1-CD2 3.91Å; F65-H95 AromaticContact CD1-CG 3.69Å; F65-H95 HydrophobicContact CE1-CB 3.92Å; F65-H95 AromaticContact CE1-CD2 3.59Å; F65-H95 AromaticContact CE1-CG 3.55Å; F65-H95 HydrophobicContact CG-CB 4.32Å; F65-H95 AromaticContact CZ-CD2 3.95Å; F65-F97 HydrophobicContact CB-CE2 4.3Å; F65-F97 AromaticContact CD1-CE2 3.85Å; F65-F97 HydrophobicContact CD1-CE2 3.85Å; F65-F97 HydrophobicContact CD1-CZ 4.16Å
66L92.2Very high90.3Very high14 Ų1440.9 Ų40.97%0.07322%0.22CC..EExtended strand (participates in β ladder)trans-87.7101.4171.6-63.5172.6000107.9L64 E76 I94 H95 F97L64-L66 HydrophobicContact CD2-CD2 4.33Å; L64-L66 HydrophobicContact CG-CD2 4.39Å; L64-L66 HydrophobicContact CG-CG 4.4Å; L66-E76 HydrophobicContact CD1-CB 4.35Å; L66-E76 HydrophobicContact CD1-CG 4.22Å; L66-I94 HydrophobicContact CD1-CG2 4.07Å; L66-H95 PolarHBondContact N-O 2.96Å; L66-F97 WeakPolarHBondContact O-CD2 3.39Å; L66-F97 PolarHBondContact O-N 3.28Å; L66-F97 VanDerWaalsContact O-N 3.1Å
67L91.3Very high90.3Very high58 Ų5843.6 Ų43.630%0.30424%0.235SC..  trans-83.6-34.2-174.3-60.9177.1000113.3M2 V6 F65 F97M2-L67 HydrophobicContact CE-CD1 4.31Å; M2-L67 HydrophobicContact CG-CD1 4.5Å; V6-L67 HydrophobicContact CG2-CD1 3.48Å; V6-L67 VanDerWaalsContact CG2-CD1 3.48Å; F65-L67 HydrophobicContact CB-CD2 4.36Å; F65-L67 PolarHBondContact O-N 2.9Å; L67-F97 HydrophobicContact CD2-CD2 3.88Å; L67-F97 HydrophobicContact CD2-CE2 3.94Å
68D86.6Confident90.2Very high94 Ų9444.3 Ų44.350%0.50324%0.236SC..SBendtrans-127.9137.9-179.3-52.9-45.5000108.6M2M2-D68 WeakPolarHBondContact CB-OD2 3.39Å
69M84.3Confident90Very high24 Ų2444.6 Ų44.612%0.11824%0.239CC..  trans-83.6140.7180-71.5-103.7-73.800111.9R96 V98 E104 I107 L108M69-R96 HydrophobicContact SD-CG 4.25Å; M69-V98 HydrophobicContact CE-CG2 4.25Å; M69-V98 HydrophobicContact CG-CG2 4.45Å; M69-V98 HydrophobicContact SD-CG2 4.01Å; M69-E104 WeakPolarHBondContact CE-O 3.29Å; M69-I107 HydrophobicContact CB-CG2 3.97Å; M69-I107 HydrophobicContact CE-CB 4.19Å; M69-I107 HydrophobicContact CE-CG2 4.02Å; M69-L108 HydrophobicContact CE-CB 3.53Å; M69-L108 HydrophobicContact CE-CD1 3.85Å; M69-L108 HydrophobicContact CE-CG 4.27Å; M69-L108 HydrophobicContact SD-CD1 4.44Å
70H87.8Confident89.8Confident37 Ų3744 Ų4417%0.17124%0.236CC..  trans-118.2132.2174.9-171.6-81.8000111.5L49 N72 L75 Q111L49-H70 HydrophobicContact CD2-CB 3.39Å; H70-N72 WeakPolarHBondContact ND1-CB 3.4Å; H70-N72 PolarHBondContact ND1-N 3.35Å; H70-N72 PolarHBondContact O-N 3.17Å; H70-L75 VanDerWaalsContact CE1-CD1 3.46Å; H70-L75 WeakPolarHBondContact CE1-CD1 3.36Å; H70-Q111 PolarHBondContact O-NE2 3.08Å
71W86.9Confident89.7Confident77 Ų7746.5 Ų46.529%0.29224%0.241SC..SBendtrans-56.3-25.4-176.762.1-95.6000115.2P73 L110 K114 L132W71-P73 VanDerWaalsContact O-CD 3.27Å; W71-P73 WeakPolarHBondContact O-CD 3.4Å; W71-L110 HydrophobicContact CB-CD2 4.02Å; W71-K114 HydrophobicContact CE3-CD 4.46Å; W71-L132 HydrophobicContact CB-CD1 3.74Å; W71-L132 HydrophobicContact CD2-CB 4.46Å; W71-L132 HydrophobicContact CD2-CD1 3.37Å; W71-L132 HydrophobicContact CE3-CB 4.36Å; W71-L132 HydrophobicContact CE3-CD1 3.59Å; W71-L132 HydrophobicContact CG-CD1 3.43Å; W71-L132 VanDerWaalsContact CG-CD1 3.43Å; W71-L132 HydrophobicContact CH2-CB 4.4Å; W71-L132 HydrophobicContact CZ2-CB 4.49Å; W71-L132 HydrophobicContact CZ3-CB 4.33Å; W71-L132 HydrophobicContact CZ3-CD1 4.37Å
72N86.9Confident89.5Confident36 Ų3646.5 Ų46.519%0.19324%0.238CC..  trans-89.1105.7173.3-175.10.9000110.5H70 S74 L75H70-N72 WeakPolarHBondContact ND1-CB 3.4Å; H70-N72 PolarHBondContact ND1-N 3.35Å; H70-N72 PolarHBondContact O-N 3.17Å; N72-S74 VanDerWaalsContact C-N 3.25Å; N72-S74 PolarHBondContact O-N 3.01Å; N72-S74 WeakPolarHBondContact OD1-CB 3.49Å; N72-S74 PolarHBondContact OD1-N 3.27Å; N72-S74 VanDerWaalsContact OD1-N 3.13Å; N72-L75 HydrophobicContact CB-CD1 4.26Å; N72-L75 HydrophobicContact CB-CG 4.41Å; N72-L75 PolarHBondContact O-N 3.46Å
73P88.4Confident89.3Confident4 Ų445.3 Ų45.33%0.02623%0.231CC..Hα-helixtrans-62.7-29.7-178.923.1-32.1000113.6W71 L75 E76 D77 Q111 K114 K115W71-P73 VanDerWaalsContact O-CD 3.27Å; W71-P73 WeakPolarHBondContact O-CD 3.4Å; P73-L75 PolarHBondContact O-N 3.11Å; P73-L75 VanDerWaalsContact O-N 3.15Å; P73-E76 WeakPolarHBondContact O-CB 3.41Å; P73-E76 PolarHBondContact O-N 3.37Å; P73-D77 PolarHBondContact O-N 2.96Å; P73-Q111 HydrophobicContact CB-CB 4.12Å; P73-Q111 HydrophobicContact CB-CG 4.11Å; P73-Q111 HydrophobicContact CG-CB 4.41Å; P73-K114 HydrophobicContact CG-CB 4.13Å; P73-K115 HydrophobicContact CB-CD 4.23Å; P73-K115 HydrophobicContact CB-CG 3.96Å; P73-K115 HydrophobicContact CG-CG 3.94Å
74S86.5Confident89.1Confident73 Ų7349.1 Ų49.151%0.5124%0.243SC..Hα-helixtrans-64.4-22.9-176.8-54.20000113.3N72 Q78N72-S74 VanDerWaalsContact C-N 3.25Å; N72-S74 PolarHBondContact O-N 3.01Å; N72-S74 WeakPolarHBondContact OD1-CB 3.49Å; N72-S74 PolarHBondContact OD1-N 3.27Å; N72-S74 VanDerWaalsContact OD1-N 3.13Å; S74-Q78 WeakPolarHBondContact O-CB 3.27Å; S74-Q78 PolarHBondContact O-N 3.29Å
75L87.2Confident88.9Confident34 Ų3453.8 Ų53.818%0.17826%0.259CS..Hα-helixtrans-73.7-35.5174.8-70175.9000111.9L49 L50 H70 N72 P73 A79L49-L75 HydrophobicContact CD1-CB 4.45Å; L49-L75 WeakPolarHBondContact CD1-O 3.39Å; L49-L75 HydrophobicContact CD2-CB 4.11Å; L49-L75 HydrophobicContact CG-CB 4.12Å; L50-L75 HydrophobicContact CD2-CD1 3.95Å; H70-L75 VanDerWaalsContact CE1-CD1 3.46Å; H70-L75 WeakPolarHBondContact CE1-CD1 3.36Å; N72-L75 HydrophobicContact CB-CD1 4.26Å; N72-L75 HydrophobicContact CB-CG 4.41Å; N72-L75 PolarHBondContact O-N 3.46Å; P73-L75 PolarHBondContact O-N 3.11Å; P73-L75 VanDerWaalsContact O-N 3.15Å; L75-A79 PolarHBondContact O-N 3.04Å
76E88.1Confident88.6Confident1 Ų155.4 Ų55.41%0.00528%0.278CS..Hα-helixtrans-68.9-43.9172.7-69.6-175.3-157.600110.8L66 P73 Q78 A79 C80 R96 Q111L66-E76 HydrophobicContact CD1-CB 4.35Å; L66-E76 HydrophobicContact CD1-CG 4.22Å; P73-E76 WeakPolarHBondContact O-CB 3.41Å; P73-E76 PolarHBondContact O-N 3.37Å; E76-Q78 VanDerWaalsContact C-N 3.31Å; E76-Q78 PolarHBondContact O-N 3.01Å; E76-A79 WeakPolarHBondContact O-CA 3.4Å; E76-A79 WeakPolarHBondContact O-CB 3.45Å; E76-A79 PolarHBondContact O-N 2.96Å; E76-C80 PolarHBondContact O-N 3.12Å; E76-C80 PolarHBondContact O-SG 3.46Å; E76-R96 IonicContact OE2-CZ 3.17Å; E76-R96 IonicContact OE2-NE 3.02Å; E76-R96 PolarHBondContact OE2-NE 3.16Å; E76-R96 IonicContact OE2-NH2 3.83Å; E76-R96 PolarHBondContact OE2-NH2 3.39Å; E76-Q111 PolarHBondContact OE1-NE2 2.89Å
77D88.4Confident88.5Confident62 Ų6257.2 Ų57.233%0.33230%0.3SS..Hα-helixtrans-59.6-44.8177.5-60.4-27000109.8P73 A79 C80 D81 K115P73-D77 PolarHBondContact O-N 2.96Å; D77-A79 VanDerWaalsContact C-N 3.31Å; D77-A79 PolarHBondContact O-N 2.98Å; D77-C80 WeakPolarHBondContact O-CB 3.14Å; D77-C80 PolarHBondContact O-N 2.84Å; D77-C80 VanDerWaalsContact O-N 3.1Å; D77-D81 PolarHBondContact O-N 3.14Å; D77-K115 IonicContact OD1-NZ 3.45Å; D77-K115 PolarHBondContact OD1-NZ 3.17Å; D77-K115 VanDerWaalsContact OD1-NZ 3.17Å; D77-K115 IonicContact OD2-NZ 2.97Å
78Q87.4Confident88.5Confident74 Ų7456.3 Ų56.335%0.34629%0.294SS..Hα-helixtrans-61.5-35.5173.8-175.1179.744.700113G52 S74 E76 C80 D81 R82G52-Q78 PolarHBondContact O-NE2 3.43Å; G52-Q78 PolarHBondContact O-OE1 3.09Å; S74-Q78 WeakPolarHBondContact O-CB 3.27Å; S74-Q78 PolarHBondContact O-N 3.29Å; E76-Q78 VanDerWaalsContact C-N 3.31Å; E76-Q78 PolarHBondContact O-N 3.01Å; Q78-C80 VanDerWaalsContact C-N 3.33Å; Q78-D81 PolarHBondContact O-N 3.14Å; Q78-R82 WeakPolarHBondContact O-CG 3.46Å
79A88.4Confident88.8Confident13 Ų1360.8 Ų60.811%0.10731%0.312CS..Hα-helixtrans-66.6-38175.500000111.6L49 L75 E76 D77 R82L49-A79 HydrophobicContact CD1-CB 3.85Å; L75-A79 PolarHBondContact O-N 3.04Å; E76-A79 WeakPolarHBondContact O-CA 3.4Å; E76-A79 WeakPolarHBondContact O-CB 3.45Å; E76-A79 PolarHBondContact O-N 2.96Å; D77-A79 VanDerWaalsContact C-N 3.31Å; D77-A79 PolarHBondContact O-N 2.98Å; A79-R82 WeakPolarHBondContact O-CB 3.27Å; A79-R82 PolarHBondContact O-N 3.34Å
80C90Very high89.2Confident14 Ų1465.8 Ų65.810%0.09533%0.333CS..Hα-helixtrans-64.7-43.2175.5-60.50000111.5L64 E76 D77 Q78 R82 I83 Y84 I94L64-C80 HydrophobicContact CD2-CB 4.38Å; E76-C80 PolarHBondContact O-N 3.12Å; E76-C80 PolarHBondContact O-SG 3.46Å; D77-C80 WeakPolarHBondContact O-CB 3.14Å; D77-C80 PolarHBondContact O-N 2.84Å; D77-C80 VanDerWaalsContact O-N 3.1Å; Q78-C80 VanDerWaalsContact C-N 3.33Å; C80-R82 PolarHBondContact O-N 3.27Å; C80-I83 PolarHBondContact O-N 3.35Å; C80-Y84 PolarHBondContact O-N 3.05Å; C80-I94 HydrophobicContact CB-CD1 3.94Å; C80-I94 VanDerWaalsContact SG-CD1 3.5Å
81D90.2Very high89.6Confident87 Ų8771 Ų7147%0.46536%0.362SS..THydrogen-bonded Turntrans-62.5-11.3178.7-69.1-17.2000114.7D77 Q78 R85D77-D81 PolarHBondContact O-N 3.14Å; Q78-D81 PolarHBondContact O-N 3.14Å; D81-R85 PolarHBondContact O-NH1 3.03Å
82R89.6Confident90Very high11 Ų1169 Ų694%0.04236%0.358CS..THydrogen-bonded Turntrans-79.3-27.1173.8-66.5169.4165.3-170.6-21.4112.4A51 G52 V54 L56 L58 Q78 A79 C80A51-R82 PolarHBondContact O-NH2 3.2Å; G52-R82 VanDerWaalsContact CA-CZ 3.49Å; G52-R82 PolarHBondContact O-NH2 2.96Å; V54-R82 PolarHBondContact O-NH2 2.91Å; L56-R82 WeakPolarHBondContact O-CB 3.44Å; L56-R82 WeakPolarHBondContact O-CG 3.31Å; L58-R82 WeakPolarHBondContact CA-O 3.39Å; L58-R82 HydrophobicContact CD1-CB 3.94Å; L58-R82 HydrophobicContact CG-CB 4.31Å; L58-R82 PolarHBondContact N-O 3.02Å; Q78-R82 WeakPolarHBondContact O-CG 3.46Å; A79-R82 WeakPolarHBondContact O-CB 3.27Å; A79-R82 PolarHBondContact O-N 3.34Å; C80-R82 PolarHBondContact O-N 3.27Å
83I91.3Very high90.4Very high13 Ų1370.2 Ų70.27%0.06737%0.367CS..THydrogen-bonded Turntrans-106.4-45.7-176.6-63.9168.4000110.1L58 G61 L64 C80 R85 Q88 V92L58-I83 HydrophobicContact CB-CG1 4.01Å; G61-I83 VanDerWaalsContact O-CG2 3.29Å; G61-I83 WeakPolarHBondContact O-CG2 3.25Å; L64-I83 HydrophobicContact CB-CD1 3.77Å; L64-I83 HydrophobicContact CD1-CD1 3.87Å; L64-I83 HydrophobicContact CD2-CD1 4.37Å; L64-I83 HydrophobicContact CG-CD1 4.2Å; C80-I83 PolarHBondContact O-N 3.35Å; I83-R85 VanDerWaalsContact C-N 3.3Å; I83-R85 PolarHBondContact O-N 3.32Å; I83-R85 VanDerWaalsContact O-N 3.08Å; I83-Q88 PolarHBondContact O-NE2 3.44Å; I83-V92 HydrophobicContact CB-CG1 4.46Å; I83-V92 HydrophobicContact CG2-CG1 3.7Å; I83-V92 HydrophobicContact CG2-CG2 3.96Å
84Y91.5Very high90.7Very high170 Ų17073.6 Ų73.667%0.66738%0.384SS*.SBendtrans-8279.5171.5-172.2-105.2000109.3C80 V92C80-Y84 PolarHBondContact O-N 3.05Å; Y84-V92 HydrophobicContact CD2-CB 4.34Å; Y84-V92 HydrophobicContact CD2-CG2 4.16Å
85R89.3Confident91Very high126 Ų12673 Ų7348%0.47537%0.373SS..SBendtrans-141.9161.6-175.2-155.1178.5-176102.70.6111T59 D81 I83 G87 Q88T59-R85 HydrophobicContact CG2-CB 4.49Å; D81-R85 PolarHBondContact O-NH1 3.03Å; I83-R85 VanDerWaalsContact C-N 3.3Å; I83-R85 PolarHBondContact O-N 3.32Å; I83-R85 VanDerWaalsContact O-N 3.08Å; R85-G87 PolarHBondContact O-N 3.1Å; R85-Q88 VanDerWaalsContact O-CB 3.27Å; R85-Q88 WeakPolarHBondContact O-CB 3.4Å; R85-Q88 PolarHBondContact O-N 3.12Å
86V88.8Confident91.2Very high142 Ų14276.2 Ų76.286%0.86138%0.383SS*.THydrogen-bonded Turntrans-50.1126.1170.5179.90000109.8
87G88.7Confident91.4Very high52 Ų5281.2 Ų81.254%0.53640%0.404SS..THydrogen-bonded Turntrans104.1-10.2-17500000114.4R85R85-G87 PolarHBondContact O-N 3.1Å
88Q93.3Very high91.5Very high39 Ų3980.8 Ų80.818%0.18240%0.404CS..  trans-69.1135.7168.8-177.557-97.300110.6T59 G61 I83 R85 K90 V92T59-Q88 HydrophobicContact CG2-CB 4.2Å; T59-Q88 PolarHBondContact O-NE2 2.99Å; G61-Q88 PolarHBondContact O-NE2 3.15Å; I83-Q88 PolarHBondContact O-NE2 3.44Å; R85-Q88 VanDerWaalsContact O-CB 3.27Å; R85-Q88 WeakPolarHBondContact O-CB 3.4Å; R85-Q88 PolarHBondContact O-N 3.12Å; Q88-K90 VanDerWaalsContact CG-O 3.24Å; Q88-K90 WeakPolarHBondContact CG-O 3.45Å; Q88-V92 HydrophobicContact CG-CG2 3.7Å
89Q92.1Very high91.7Very high188 Ų18880.6 Ų80.688%0.87941%0.41SS*.  trans-118.4-7.2-178.4-62.2-176.53.600113.1
90K93.2Very high91.9Very high129 Ų12988.4 Ų88.456%0.56144%0.444SS*.SBendtrans-118.2153.9-178.5-61.8178.3-177.9174.50110.6N62 Q88 V92N62-K90 HydrophobicContact CB-CB 3.83Å; N62-K90 HydrophobicContact CB-CD 4.3Å; Q88-K90 VanDerWaalsContact CG-O 3.24Å; Q88-K90 WeakPolarHBondContact CG-O 3.45Å; K90-V92 PolarHBondContact O-N 3.04Å
91D94.9Very high91.9Very high146 Ų14691.1 Ų91.178%0.78148%0.475SS*.  trans-59.7130.5170.6-64.2-32.2000110.3N62N62-D91 WeakPolarHBondContact CB-O 3.41Å; N62-D91 PolarHBondContact ND2-O 3.05Å; N62-D91 VanDerWaalsContact ND2-O 3.14Å
92V95.4Very high92Very high36 Ų3689.8 Ų89.822%0.21847%0.47CS..  trans-95.1124.8-179.5-1790000109.4N62 I83 Y84 Q88 K90 I94N62-V92 CarbonylContact O-C 3.51Å; N62-V92 VanDerWaalsContact O-CA 3.29Å; N62-V92 WeakPolarHBondContact O-CA 3.45Å; I83-V92 HydrophobicContact CB-CG1 4.46Å; I83-V92 HydrophobicContact CG2-CG1 3.7Å; I83-V92 HydrophobicContact CG2-CG2 3.96Å; Y84-V92 HydrophobicContact CD2-CB 4.34Å; Y84-V92 HydrophobicContact CD2-CG2 4.16Å; Q88-V92 HydrophobicContact CG-CG2 3.7Å; K90-V92 PolarHBondContact O-N 3.04Å; V92-I94 HydrophobicContact CG1-CG1 4.47Å
93V96.3Very high92.1Very high61 Ų6192.1 Ų92.137%0.3749%0.485SS..EExtended strand (participates in β ladder)trans-113.4123.6176.6-170.20000109.8N62 H63 L64 H95N62-V93 PolarHBondContact O-N 3.07Å; H63-V93 WeakPolarHBondContact CA-O 3.5Å; L64-V93 PolarHBondContact N-O 3.33Å; V93-H95 VanDerWaalsContact CG1-NE2 3.27Å; V93-H95 WeakPolarHBondContact CG1-NE2 3.46Å
94I93.5Very high92Very high75 Ų7593.3 Ų93.339%0.38549%0.491SS..EExtended strand (participates in β ladder)trans-102.5116.7177.4-58.1159.4000108.4L64 L66 C80 V92L64-I94 HydrophobicContact CB-CG1 4.32Å; L64-I94 HydrophobicContact CD2-CG1 4.44Å; L64-I94 HydrophobicContact CD2-CG2 4.36Å; L66-I94 HydrophobicContact CD1-CG2 4.07Å; C80-I94 HydrophobicContact CB-CD1 3.94Å; C80-I94 VanDerWaalsContact SG-CD1 3.5Å; V92-I94 HydrophobicContact CG1-CG1 4.47Å
95H94.4Very high92Very high60 Ų6089.1 Ų89.128%0.27848%0.477SS..EExtended strand (participates in β ladder)trans-99.9116.8176.3-57.7-91.9000107.9H63 L64 F65 L66 V93H63-H95 AromaticContact ND1-CD2 4Å; H63-H95 AromaticContact ND1-NE2 3.15Å; H63-H95 PolarHBondContact ND1-NE2 3.42Å; H63-H95 VanDerWaalsContact ND1-NE2 3.15Å; L64-H95 PolarHBondContact O-N 3.34Å; F65-H95 HydrophobicContact CD1-CB 3.52Å; F65-H95 AromaticContact CD1-CD2 3.91Å; F65-H95 AromaticContact CD1-CG 3.69Å; F65-H95 HydrophobicContact CE1-CB 3.92Å; F65-H95 AromaticContact CE1-CD2 3.59Å; F65-H95 AromaticContact CE1-CG 3.55Å; F65-H95 HydrophobicContact CG-CB 4.32Å; F65-H95 AromaticContact CZ-CD2 3.95Å; L66-H95 PolarHBondContact N-O 2.96Å; V93-H95 VanDerWaalsContact CG1-NE2 3.27Å; V93-H95 WeakPolarHBondContact CG1-NE2 3.46Å
96R91.3Very high92Very high102 Ų10286.6 Ų86.639%0.38547%0.47SS..EExtended strand (participates in β ladder)trans-109.8120.4175-174.9-179.6-71.41051.5108.9M69 E76 V98M69-R96 HydrophobicContact SD-CG 4.25Å; E76-R96 IonicContact OE2-CZ 3.17Å; E76-R96 IonicContact OE2-NE 3.02Å; E76-R96 PolarHBondContact OE2-NE 3.16Å; E76-R96 IonicContact OE2-NH2 3.83Å; E76-R96 PolarHBondContact OE2-NH2 3.39Å; R96-V98 HydrophobicContact CG-CG2 4.19Å
97F91.6Very high92.1Very high105 Ų10581 Ų8146%0.46144%0.435SS..  trans-91.7134.6172.6-63.5-76.1000109.6F65 L66 L67F65-F97 HydrophobicContact CB-CE2 4.3Å; F65-F97 AromaticContact CD1-CE2 3.85Å; F65-F97 HydrophobicContact CD1-CE2 3.85Å; F65-F97 HydrophobicContact CD1-CZ 4.16Å; L66-F97 WeakPolarHBondContact O-CD2 3.39Å; L66-F97 PolarHBondContact O-N 3.28Å; L66-F97 VanDerWaalsContact O-N 3.1Å; L67-F97 HydrophobicContact CD2-CD2 3.88Å; L67-F97 HydrophobicContact CD2-CE2 3.94Å
98V90.9Very high92.2Very high54 Ų5481.3 Ų81.333%0.32742%0.424SS..  trans-136.6125.7175.2-1770000107.4M69 R96 E104M69-V98 HydrophobicContact CE-CG2 4.25Å; M69-V98 HydrophobicContact CG-CG2 4.45Å; M69-V98 HydrophobicContact SD-CG2 4.01Å; R96-V98 HydrophobicContact CG-CG2 4.19Å; V98-E104 WeakPolarHBondContact CA-OE2 3.5Å; V98-E104 HydrophobicContact CG1-CB 3.97Å
99C91.5Very high92.1Very high69 Ų6984.2 Ų84.247%0.46644%0.437SS..  trans-82.1117175.3-700000111T102 E104C99-T102 HydrophobicContact CB-CG2 3.58Å; C99-T102 PolarHBondContact O-N 3.13Å; C99-T102 PolarHBondContact O-OG1 2.89Å; C99-E104 PolarHBondContact N-OE2 2.98Å
100E91.6Very high91.9Very high177 Ų17775.8 Ų75.883%0.82740%0.398SS*.THydrogen-bonded Turntrans-61.8142.8176.7-65.3-177.4177.400112.2T102 E105E100-T102 PolarHBondContact O-N 3.43Å; E100-E105 VanDerWaalsContact CA-OE1 3.32Å; E100-E105 WeakPolarHBondContact CA-OE1 3.37Å
101G90.3Very high91.8Very high72 Ų7269.9 Ų69.974%0.74237%0.373SS*.THydrogen-bonded Turntrans67.616.4-179.700000114.7E105G101-E105 VanDerWaalsContact N-CD 3.26Å; G101-E105 PolarHBondContact N-OE1 3Å
102T92.3Very high91.6Very high58 Ų5868.1 Ų68.136%0.35636%0.36SS..SBendtrans-114176.4178.577.40000112.4C99 E100 E104 E105C99-T102 HydrophobicContact CB-CG2 3.58Å; C99-T102 PolarHBondContact O-N 3.13Å; C99-T102 PolarHBondContact O-OG1 2.89Å; E100-T102 PolarHBondContact O-N 3.43Å; T102-E104 PolarHBondContact O-N 2.87Å; T102-E104 VanDerWaalsContact O-N 3.1Å; T102-E104 WeakPolarHBondContact OG1-CB 3.32Å; T102-E104 PolarHBondContact OG1-N 2.98Å; T102-E105 PolarHBondContact O-N 2.83Å
103V91.4Very high91.2Very high61 Ų6172.5 Ų72.537%0.3738%0.376SS..Hα-helixtrans-58.4-20.9173.869.70000112.7E105 K106 I107 L140V103-E105 VanDerWaalsContact C-N 3.29Å; V103-E105 PolarHBondContact O-N 3.39Å; V103-K106 WeakPolarHBondContact O-CB 3.48Å; V103-K106 PolarHBondContact O-N 3.49Å; V103-K106 VanDerWaalsContact O-N 3.09Å; V103-I107 HydrophobicContact CG1-CD1 4.44Å; V103-I107 WeakPolarHBondContact O-CG1 3.46Å; V103-I107 PolarHBondContact O-N 2.84Å; V103-L140 HydrophobicContact CG2-CD2 4.36Å
104E90.7Very high90.7Very high38 Ų3870.7 Ų70.718%0.17836%0.363CS..Hα-helixtrans-63.3-32.9-179.3-62-174.6179.800113M69 V98 C99 T102 K106 I107 L108M69-E104 WeakPolarHBondContact CE-O 3.29Å; V98-E104 WeakPolarHBondContact CA-OE2 3.5Å; V98-E104 HydrophobicContact CG1-CB 3.97Å; C99-E104 PolarHBondContact N-OE2 2.98Å; T102-E104 PolarHBondContact O-N 2.87Å; T102-E104 VanDerWaalsContact O-N 3.1Å; T102-E104 WeakPolarHBondContact OG1-CB 3.32Å; T102-E104 PolarHBondContact OG1-N 2.98Å; E104-K106 VanDerWaalsContact C-N 3.3Å; E104-K106 PolarHBondContact O-N 3.1Å; E104-I107 WeakPolarHBondContact O-CB 3.29Å; E104-I107 PolarHBondContact O-N 3.04Å; E104-L108 PolarHBondContact O-N 3.03Å
105E90.4Very high90.3Very high82 Ų8270.4 Ų70.438%0.38336%0.359SS..Hα-helixtrans-63-39.5173.7-65.6178.8160.300111.6E100 G101 T102 V103 I107 L108 Q109E100-E105 VanDerWaalsContact CA-OE1 3.32Å; E100-E105 WeakPolarHBondContact CA-OE1 3.37Å; G101-E105 VanDerWaalsContact N-CD 3.26Å; G101-E105 PolarHBondContact N-OE1 3Å; T102-E105 PolarHBondContact O-N 2.83Å; V103-E105 VanDerWaalsContact C-N 3.29Å; V103-E105 PolarHBondContact O-N 3.39Å; E105-I107 VanDerWaalsContact C-N 3.35Å; E105-L108 WeakPolarHBondContact O-CB 3.28Å; E105-L108 PolarHBondContact O-N 2.85Å; E105-Q109 WeakPolarHBondContact O-CG 3.45Å; E105-Q109 PolarHBondContact O-N 3.4Å; E105-Q109 VanDerWaalsContact O-N 3.1Å
106K90.1Very high89.9Confident73 Ų7371.3 Ų71.332%0.31737%0.366SS..Hα-helixtrans-70.3-35.2176.5-58.5179172.7-168.20111.5V103 E104 L108 Q109 L110 V139 L140V103-K106 WeakPolarHBondContact O-CB 3.48Å; V103-K106 PolarHBondContact O-N 3.49Å; V103-K106 VanDerWaalsContact O-N 3.09Å; E104-K106 VanDerWaalsContact C-N 3.3Å; E104-K106 PolarHBondContact O-N 3.1Å; K106-L108 VanDerWaalsContact C-N 3.3Å; K106-Q109 PolarHBondContact O-N 3.14Å; K106-L110 WeakPolarHBondContact O-CB 3.24Å; K106-L110 PolarHBondContact O-N 3.35Å; K106-V139 WeakPolarHBondContact CD-O 3.46Å; K106-V139 PolarHBondContact NZ-O 2.97Å; K106-L140 HydrophobicContact CB-CD2 3.88Å; K106-L140 WeakPolarHBondContact CD-O 3.38Å; K106-L140 PolarHBondContact NZ-O 3.36Å
107I91.1Very high89.5Confident25 Ų2569 Ų6913%0.12836%0.361CS..Hα-helixtrans-63-41173.1-66.6171.3000109.8M69 V103 E104 E105 L110 Q111 L140M69-I107 HydrophobicContact CB-CG2 3.97Å; M69-I107 HydrophobicContact CE-CB 4.19Å; M69-I107 HydrophobicContact CE-CG2 4.02Å; V103-I107 HydrophobicContact CG1-CD1 4.44Å; V103-I107 WeakPolarHBondContact O-CG1 3.46Å; V103-I107 PolarHBondContact O-N 2.84Å; E104-I107 WeakPolarHBondContact O-CB 3.29Å; E104-I107 PolarHBondContact O-N 3.04Å; E105-I107 VanDerWaalsContact C-N 3.35Å; I107-L110 WeakPolarHBondContact O-CB 3.11Å; I107-L110 PolarHBondContact O-N 2.95Å; I107-Q111 WeakPolarHBondContact O-CG 3.43Å; I107-Q111 PolarHBondContact O-N 2.91Å; I107-L140 HydrophobicContact CG1-CD2 3.72Å
108L90.4Very high88.9Confident58 Ų5866.5 Ų66.530%0.30436%0.36SS..Hα-helixtrans-59.1-49.9176-169.264.7000111.3M69 E104 E105 K106 L110 Q111 E112M69-L108 HydrophobicContact CE-CB 3.53Å; M69-L108 HydrophobicContact CE-CD1 3.85Å; M69-L108 HydrophobicContact CE-CG 4.27Å; M69-L108 HydrophobicContact SD-CD1 4.44Å; E104-L108 PolarHBondContact O-N 3.03Å; E105-L108 WeakPolarHBondContact O-CB 3.28Å; E105-L108 PolarHBondContact O-N 2.85Å; K106-L108 VanDerWaalsContact C-N 3.3Å; L108-L110 VanDerWaalsContact C-N 3.26Å; L108-L110 PolarHBondContact O-N 2.89Å; L108-Q111 WeakPolarHBondContact O-CB 3.25Å; L108-Q111 PolarHBondContact O-N 2.83Å; L108-Q111 VanDerWaalsContact O-N 3.14Å; L108-E112 PolarHBondContact O-N 3.2Å
109Q89.8Confident88.4Confident100 Ų10070.3 Ų70.347%0.46737%0.371SS..Hα-helixtrans-59.8-37.4176.2-67.5174.32.100112.2E105 K106 E112 K113E105-Q109 WeakPolarHBondContact O-CG 3.45Å; E105-Q109 PolarHBondContact O-N 3.4Å; E105-Q109 VanDerWaalsContact O-N 3.1Å; K106-Q109 PolarHBondContact O-N 3.14Å; Q109-E112 PolarHBondContact O-N 3.06Å; Q109-K113 WeakPolarHBondContact O-CG 3.46Å; Q109-K113 PolarHBondContact O-N 3.03Å; Q109-K113 VanDerWaalsContact O-N 3.1Å
110L89.8Confident87.6Confident10 Ų1071.8 Ų71.85%0.05237%0.372CS..Hα-helixtrans-67.1-40.6176.6179.360.4000111.9W71 K106 I107 L108 K113 K114 L132 D136 L140W71-L110 HydrophobicContact CB-CD2 4.02Å; K106-L110 WeakPolarHBondContact O-CB 3.24Å; K106-L110 PolarHBondContact O-N 3.35Å; I107-L110 WeakPolarHBondContact O-CB 3.11Å; I107-L110 PolarHBondContact O-N 2.95Å; L108-L110 VanDerWaalsContact C-N 3.26Å; L108-L110 PolarHBondContact O-N 2.89Å; L110-K113 PolarHBondContact O-N 3.37Å; L110-K114 HydrophobicContact CD1-CD 4.43Å; L110-K114 HydrophobicContact CD1-CG 4.45Å; L110-K114 HydrophobicContact CG-CD 4.35Å; L110-K114 WeakPolarHBondContact O-CB 3.38Å; L110-K114 WeakPolarHBondContact O-CG 3.4Å; L110-K114 PolarHBondContact O-N 2.87Å; L110-L132 HydrophobicContact CD2-CD1 3.98Å; L110-D136 HydrophobicContact CD1-CB 3.99Å; L110-D136 VanDerWaalsContact CD1-OD1 3.27Å; L110-D136 WeakPolarHBondContact CD1-OD1 3.39Å; L110-D136 HydrophobicContact CD2-CB 4.12Å; L110-L140 HydrophobicContact CD2-CD1 4.04Å; L110-L140 HydrophobicContact CD2-CD2 4.39Å; L110-L140 HydrophobicContact CD2-CG 4.4Å
111Q90.3Very high86.8Confident6 Ų665.2 Ų65.23%0.02834%0.344CS..Hα-helixtrans-60.8-45.1174.6-73.8-177.6-5.700111.4H70 P73 E76 I107 L108 K114 K115H70-Q111 PolarHBondContact O-NE2 3.08Å; P73-Q111 HydrophobicContact CB-CB 4.12Å; P73-Q111 HydrophobicContact CB-CG 4.11Å; P73-Q111 HydrophobicContact CG-CB 4.41Å; E76-Q111 PolarHBondContact OE1-NE2 2.89Å; I107-Q111 WeakPolarHBondContact O-CG 3.43Å; I107-Q111 PolarHBondContact O-N 2.91Å; L108-Q111 WeakPolarHBondContact O-CB 3.25Å; L108-Q111 PolarHBondContact O-N 2.83Å; L108-Q111 VanDerWaalsContact O-N 3.14Å; Q111-K114 PolarHBondContact O-N 2.92Å; Q111-K115 WeakPolarHBondContact O-CG 3.31Å; Q111-K115 PolarHBondContact O-N 3.36Å
112E89.8Confident85.9Confident109 Ų10969.3 Ų69.351%0.50935%0.348SS..Hα-helixtrans-58.8-49.9177.6-70.3178.1150.800111.4L108 Q109 K114 K115 D116L108-E112 PolarHBondContact O-N 3.2Å; Q109-E112 PolarHBondContact O-N 3.06Å; E112-K114 VanDerWaalsContact C-N 3.3Å; E112-K114 PolarHBondContact O-N 3.31Å; E112-K115 PolarHBondContact O-N 3.48Å; E112-K115 VanDerWaalsContact O-N 3.12Å; E112-D116 PolarHBondContact O-N 3.31Å
113K88.1Confident85Confident128 Ų12870.5 Ų70.556%0.55736%0.358SS*.Hα-helixtrans-56-44.1175.5-73.2176.1-179.3177.80112.4Q109 L110 D116 L117Q109-K113 WeakPolarHBondContact O-CG 3.46Å; Q109-K113 PolarHBondContact O-N 3.03Å; Q109-K113 VanDerWaalsContact O-N 3.1Å; L110-K113 PolarHBondContact O-N 3.37Å; K113-D116 PolarHBondContact O-N 3.14Å; K113-L117 WeakPolarHBondContact O-CB 3.42Å; K113-L117 PolarHBondContact O-N 3.2Å
114K84.6Confident83.4Confident23 Ų2371 Ų7110%0.138%0.376CS..Hα-helixtrans-66.5-39.4178.1-77.4179.5174.6-71.70112W71 P73 L110 Q111 E112 A118 K131W71-K114 HydrophobicContact CE3-CD 4.46Å; P73-K114 HydrophobicContact CG-CB 4.13Å; L110-K114 HydrophobicContact CD1-CD 4.43Å; L110-K114 HydrophobicContact CD1-CG 4.45Å; L110-K114 HydrophobicContact CG-CD 4.35Å; L110-K114 WeakPolarHBondContact O-CB 3.38Å; L110-K114 WeakPolarHBondContact O-CG 3.4Å; L110-K114 PolarHBondContact O-N 2.87Å; Q111-K114 PolarHBondContact O-N 2.92Å; E112-K114 VanDerWaalsContact C-N 3.3Å; E112-K114 PolarHBondContact O-N 3.31Å; K114-A118 WeakPolarHBondContact O-CB 3.27Å; K114-A118 PolarHBondContact O-N 2.57Å; K114-K131 PolarHBondContact NZ-O 3.09Å
115K85.9Confident82Confident69 Ų6973.4 Ų73.430%0.340%0.397SS..Hα-helixtrans-63.7-43.6175.7-76.2-174.5176.1-164.60111.3P73 D77 Q111 E112 A118 K119P73-K115 HydrophobicContact CB-CD 4.23Å; P73-K115 HydrophobicContact CB-CG 3.96Å; P73-K115 HydrophobicContact CG-CG 3.94Å; D77-K115 IonicContact OD1-NZ 3.45Å; D77-K115 PolarHBondContact OD1-NZ 3.17Å; D77-K115 VanDerWaalsContact OD1-NZ 3.17Å; D77-K115 IonicContact OD2-NZ 2.97Å; Q111-K115 WeakPolarHBondContact O-CG 3.31Å; Q111-K115 PolarHBondContact O-N 3.36Å; E112-K115 PolarHBondContact O-N 3.48Å; E112-K115 VanDerWaalsContact O-N 3.12Å; K115-A118 PolarHBondContact O-N 3.14Å; K115-K119 WeakPolarHBondContact O-CG 3.4Å; K115-K119 PolarHBondContact O-N 2.91Å; K115-K119 VanDerWaalsContact O-N 3.08Å
116D85.4Confident80.3Confident79 Ų7971 Ų7142%0.42239%0.394SS..Hα-helixtrans-70-39.4-179.4-70.7-21.6000112.4E112 K113 A118 K119 Q120E112-D116 PolarHBondContact O-N 3.31Å; K113-D116 PolarHBondContact O-N 3.14Å; D116-A118 VanDerWaalsContact C-N 3.33Å; D116-A118 PolarHBondContact O-N 3.48Å; D116-K119 WeakPolarHBondContact O-CB 3.46Å; D116-K119 PolarHBondContact O-N 2.8Å; D116-K119 IonicContact OD1-NZ 2.92Å; D116-K119 PolarHBondContact OD1-NZ 3.08Å; D116-Q120 WeakPolarHBondContact O-CG 3.41Å; D116-Q120 PolarHBondContact O-N 3.46Å
117L82.6Confident78.9Confident53 Ų5375.5 Ų75.528%0.27742%0.416SS..Hα-helixtrans-61.2-43.3172.3-172.866.3000111.5K113 K119 Q120 V121 V129K113-L117 WeakPolarHBondContact O-CB 3.42Å; K113-L117 PolarHBondContact O-N 3.2Å; L117-K119 VanDerWaalsContact C-N 3.3Å; L117-K119 PolarHBondContact O-N 3.01Å; L117-Q120 WeakPolarHBondContact O-CB 3.49Å; L117-Q120 PolarHBondContact O-N 3.08Å; L117-Q120 VanDerWaalsContact O-N 3.11Å; L117-V121 VanDerWaalsContact O-CG2 3.27Å; L117-V121 WeakPolarHBondContact O-CG2 3.46Å; L117-V121 PolarHBondContact O-N 3.24Å; L117-V129 HydrophobicContact CD2-CB 3.73Å; L117-V129 HydrophobicContact CD2-CG2 3.58Å
118A79.2Confident77.2Confident53 Ų5378.8 Ų78.844%0.43844%0.441SS..Hα-helixtrans-60.6-38.517700000112.5K114 K115 D116 V121 L122K114-A118 WeakPolarHBondContact O-CB 3.27Å; K114-A118 PolarHBondContact O-N 2.57Å; K115-A118 PolarHBondContact O-N 3.14Å; D116-A118 VanDerWaalsContact C-N 3.33Å; D116-A118 PolarHBondContact O-N 3.48Å; A118-V121 PolarHBondContact O-N 3.32Å; A118-L122 PolarHBondContact O-N 3.14Å; A118-L122 VanDerWaalsContact O-N 3.12Å
119K80.3Confident75.7Confident133 Ų13379.1 Ų79.158%0.57845%0.445SS*.Hα-helixtrans-63-43173.1-68.1169.5-167.3157.80111.7K115 D116 L117 L122 S123K115-K119 WeakPolarHBondContact O-CG 3.4Å; K115-K119 PolarHBondContact O-N 2.91Å; K115-K119 VanDerWaalsContact O-N 3.08Å; D116-K119 WeakPolarHBondContact O-CB 3.46Å; D116-K119 PolarHBondContact O-N 2.8Å; D116-K119 IonicContact OD1-NZ 2.92Å; D116-K119 PolarHBondContact OD1-NZ 3.08Å; L117-K119 VanDerWaalsContact C-N 3.3Å; L117-K119 PolarHBondContact O-N 3.01Å; K119-L122 PolarHBondContact O-N 2.91Å; K119-S123 PolarHBondContact O-N 3.43Å; K119-S123 PolarHBondContact O-OG 3.28Å
120Q75.8Confident74.3Confident101 Ų10179.3 Ų79.347%0.47245%0.454SS..Hα-helixtrans-63.2-40.2178.3-71.1175.3-5.700112.5D116 L117 S123 G124 S125 G126D116-Q120 WeakPolarHBondContact O-CG 3.41Å; D116-Q120 PolarHBondContact O-N 3.46Å; L117-Q120 WeakPolarHBondContact O-CB 3.49Å; L117-Q120 PolarHBondContact O-N 3.08Å; L117-Q120 VanDerWaalsContact O-N 3.11Å; Q120-S123 VanDerWaalsContact CA-OG 3.31Å; Q120-S123 WeakPolarHBondContact CA-OG 3.32Å; Q120-S123 PolarHBondContact O-N 3.42Å; Q120-S123 PolarHBondContact O-OG 2.99Å; Q120-G124 PolarHBondContact O-N 3.3Å; Q120-S125 PolarHBondContact O-N 2.8Å; Q120-S125 PolarHBondContact O-OG 3.41Å; Q120-G126 PolarHBondContact O-N 3.18Å
121V74.9Confident73.4Confident39 Ų3986.8 Ų86.824%0.23649%0.486CS..Hα-helixtrans-60.8-46.8174.1177.10000110.7L117 A118 S123 G124 G126 E127L117-V121 VanDerWaalsContact O-CG2 3.27Å; L117-V121 WeakPolarHBondContact O-CG2 3.46Å; L117-V121 PolarHBondContact O-N 3.24Å; A118-V121 PolarHBondContact O-N 3.32Å; V121-S123 VanDerWaalsContact C-N 3.26Å; V121-S123 PolarHBondContact O-N 3.21Å; V121-G124 PolarHBondContact O-N 2.93Å; V121-G126 VanDerWaalsContact CG2-C 3.48Å; V121-G126 WeakPolarHBondContact CG2-O 3.49Å; V121-E127 WeakPolarHBondContact CG2-O 3.24Å
122L70.7Confident72.2Confident158 Ų15889.1 Ų89.183%0.82750%0.498SS*.Hα-helixtrans-63.9-30.7177.9-106.480.1000112.9A118 K119 G124A118-L122 PolarHBondContact O-N 3.14Å; A118-L122 VanDerWaalsContact O-N 3.12Å; K119-L122 PolarHBondContact O-N 2.91Å; L122-G124 PolarHBondContact O-N 3.49Å
123S73.4Confident71.8Confident83 Ų8386.6 Ų86.658%0.5849%0.49SS*.THydrogen-bonded Turntrans-783.4172.657.70000114.1K119 Q120 V121 S125K119-S123 PolarHBondContact O-N 3.43Å; K119-S123 PolarHBondContact O-OG 3.28Å; Q120-S123 VanDerWaalsContact CA-OG 3.31Å; Q120-S123 WeakPolarHBondContact CA-OG 3.32Å; Q120-S123 PolarHBondContact O-N 3.42Å; Q120-S123 PolarHBondContact O-OG 2.99Å; V121-S123 VanDerWaalsContact C-N 3.26Å; V121-S123 PolarHBondContact O-N 3.21Å; S123-S125 PolarHBondContact OG-OG 3.31Å
124G58.4Low71.3Confident72 Ų7286.2 Ų86.274%0.74249%0.494SS*.THydrogen-bonded Turntrans80.914.717700000114.7Q120 V121 L122Q120-G124 PolarHBondContact O-N 3.3Å; V121-G124 PolarHBondContact O-N 2.93Å; L122-G124 PolarHBondContact O-N 3.49Å
125S60.2Low71Confident87 Ų8788.2 Ų88.261%0.60851%0.514SS*.SBendtrans-120.19.9-171.745.40000114.5Q120 S123Q120-S125 PolarHBondContact O-N 2.8Å; Q120-S125 PolarHBondContact O-OG 3.41Å; S123-S125 PolarHBondContact OG-OG 3.31Å
126G55.6Low70.6Confident31 Ų3186.3 Ų86.332%0.3251%0.507SS..SBendtrans-147.4165.3-17800000115.7Q120 V121Q120-G126 PolarHBondContact O-N 3.18Å; V121-G126 VanDerWaalsContact CG2-C 3.48Å; V121-G126 WeakPolarHBondContact CG2-O 3.49Å
127E59.9Low70.2Confident169 Ų16985.5 Ų85.579%0.7950%0.503SS*.  trans-92.7140.8175.1-66.9-176.2161.600112.6V121 V129V121-E127 WeakPolarHBondContact CG2-O 3.24Å; E127-V129 PolarHBondContact O-N 2.87Å
128S56.1Low70Confident94 Ų9490 Ų9066%0.65752%0.516SS*.  trans-75.6117-175.7-173.70000112.7
129V59.4Low70Confident64 Ų6490.8 Ų90.839%0.38852%0.515SS..  trans-12096.3179.9-175.40000111.5L117 E127 T133L117-V129 HydrophobicContact CD2-CB 3.73Å; L117-V129 HydrophobicContact CD2-CG2 3.58Å; E127-V129 PolarHBondContact O-N 2.87Å; V129-T133 HydrophobicContact CG1-CG2 4.34Å
130T59.1Low69.7Low105 Ų10585 Ų8564%0.64449%0.491SS*.  trans-97.2-7.4176.642.30000114.2
131K71.4Confident69.7Low166 Ų16686.3 Ų86.372%0.72250%0.495SS*.SBendtrans-106.4154.9-177.3-67.7-175.7179.6178.20112.5K114K114-K131 PolarHBondContact NZ-O 3.09Å
132L66.3Low69.3Low55 Ų5587.6 Ų87.629%0.28852%0.516SS..  trans-73.3130.1170.3-156.999000108.7W71 L110 D136 L137W71-L132 HydrophobicContact CB-CD1 3.74Å; W71-L132 HydrophobicContact CD2-CB 4.46Å; W71-L132 HydrophobicContact CD2-CD1 3.37Å; W71-L132 HydrophobicContact CE3-CB 4.36Å; W71-L132 HydrophobicContact CE3-CD1 3.59Å; W71-L132 HydrophobicContact CG-CD1 3.43Å; W71-L132 VanDerWaalsContact CG-CD1 3.43Å; W71-L132 HydrophobicContact CH2-CB 4.4Å; W71-L132 HydrophobicContact CZ2-CB 4.49Å; W71-L132 HydrophobicContact CZ3-CB 4.33Å; W71-L132 HydrophobicContact CZ3-CD1 4.37Å; L110-L132 HydrophobicContact CD2-CD1 3.98Å; L132-D136 HydrophobicContact CG-CB 4.24Å; L132-L137 HydrophobicContact CD2-CD1 4.41Å; L132-L137 HydrophobicContact CD2-CD2 3.44Å; L132-L137 VanDerWaalsContact CD2-CD2 3.44Å; L132-L137 HydrophobicContact CD2-CG 3.69Å
133T80.4Confident68.4Low56 Ų5687.6 Ų87.634%0.34452%0.515SS..  trans-99.5164.4-17970.60000111.7V129 A135 D136 L137V129-T133 HydrophobicContact CG1-CG2 4.34Å; T133-A135 PolarHBondContact O-N 2.79Å; T133-D136 PolarHBondContact N-OD2 3.27Å; T133-D136 WeakPolarHBondContact O-CB 3.09Å; T133-D136 PolarHBondContact O-N 3.06Å; T133-D136 VanDerWaalsContact O-N 3.17Å; T133-D136 PolarHBondContact OG1-N 3.17Å; T133-D136 PolarHBondContact OG1-OD1 2.91Å; T133-D136 PolarHBondContact OG1-OD2 2.99Å; T133-L137 PolarHBondContact O-N 3.43Å; T133-L137 VanDerWaalsContact O-N 3.16Å
134L77.9Confident68.1Low121 Ų12187.9 Ų87.963%0.63451%0.512SS*.Hα-helixtrans-65.9-31.5176.6-149.1128.7000111.6L137 R138L134-L137 PolarHBondContact O-N 2.89Å; L134-R138 WeakPolarHBondContact O-CG 3.18Å; L134-R138 PolarHBondContact O-N 2.97Å
135A78.7Confident68.7Low64 Ų6488.7 Ų88.753%0.52950%0.5SS..Hα-helixtrans-64.1-40.3172.100000111.8T133 L137 R138 V139T133-A135 PolarHBondContact O-N 2.79Å; A135-L137 VanDerWaalsContact C-N 3.32Å; A135-L137 PolarHBondContact O-N 3.42Å; A135-R138 PolarHBondContact O-N 3.35Å; A135-V139 WeakPolarHBondContact O-CG2 3.47Å; A135-V139 PolarHBondContact O-N 3.11Å
136D76.9Confident69.1Low29 Ų2988.8 Ų88.816%0.15549%0.494CS..Hα-helixtrans-62.3-40.9175.6-58.2-37.2000111.2L110 L132 T133 R138 V139 L140L110-D136 HydrophobicContact CD1-CB 3.99Å; L110-D136 VanDerWaalsContact CD1-OD1 3.27Å; L110-D136 WeakPolarHBondContact CD1-OD1 3.39Å; L110-D136 HydrophobicContact CD2-CB 4.12Å; L132-D136 HydrophobicContact CG-CB 4.24Å; T133-D136 PolarHBondContact N-OD2 3.27Å; T133-D136 WeakPolarHBondContact O-CB 3.09Å; T133-D136 PolarHBondContact O-N 3.06Å; T133-D136 VanDerWaalsContact O-N 3.17Å; T133-D136 PolarHBondContact OG1-N 3.17Å; T133-D136 PolarHBondContact OG1-OD1 2.91Å; T133-D136 PolarHBondContact OG1-OD2 2.99Å; D136-R138 VanDerWaalsContact C-N 3.35Å; D136-R138 PolarHBondContact O-N 3.33Å; D136-V139 PolarHBondContact O-N 3.47Å; D136-L140 VanDerWaalsContact O-CG 3.3Å; D136-L140 WeakPolarHBondContact O-CG 3.27Å; D136-L140 PolarHBondContact O-N 3.25Å
137L76.7Confident69.9Low63 Ų6392.2 Ų92.233%0.3350%0.504SS..Hα-helixtrans-61.3-41176.7-73172.2000112.6L132 T133 L134 A135 V139 L140 F141L132-L137 HydrophobicContact CD2-CD1 4.41Å; L132-L137 HydrophobicContact CD2-CD2 3.44Å; L132-L137 VanDerWaalsContact CD2-CD2 3.44Å; L132-L137 HydrophobicContact CD2-CG 3.69Å; T133-L137 PolarHBondContact O-N 3.43Å; T133-L137 VanDerWaalsContact O-N 3.16Å; L134-L137 PolarHBondContact O-N 2.89Å; A135-L137 VanDerWaalsContact C-N 3.32Å; A135-L137 PolarHBondContact O-N 3.42Å; L137-V139 VanDerWaalsContact C-N 3.32Å; L137-V139 PolarHBondContact O-N 3.02Å; L137-L140 PolarHBondContact O-N 3.05Å; L137-F141 HydrophobicContact CD2-CD2 4.09Å; L137-F141 HydrophobicContact CD2-CE2 3.83Å; L137-F141 WeakPolarHBondContact O-CD2 3.3Å; L137-F141 PolarHBondContact O-N 3.22Å
138R79.6Confident70.5Confident148 Ų14887.4 Ų87.456%0.55849%0.486SS*.Hα-helixtrans-61.2-41.5175.4-65.8-158.4175.1140.2-0.5112.1L134 A135 D136 G142 I143L134-R138 WeakPolarHBondContact O-CG 3.18Å; L134-R138 PolarHBondContact O-N 2.97Å; A135-R138 PolarHBondContact O-N 3.35Å; D136-R138 VanDerWaalsContact C-N 3.35Å; D136-R138 PolarHBondContact O-N 3.33Å; R138-G142 WeakPolarHBondContact O-CA 3.48Å; R138-G142 PolarHBondContact O-N 2.88Å; R138-I143 WeakPolarHBondContact CA-O 3.16Å; R138-I143 WeakPolarHBondContact CB-O 3.47Å; R138-I143 VanDerWaalsContact CD-O 3.27Å; R138-I143 WeakPolarHBondContact CD-O 3.48Å; R138-I143 WeakPolarHBondContact CG-O 3.47Å
139V78.4Confident71.5Confident68 Ų6886.9 Ų86.941%0.41248%0.475SS..Hα-helixtrans-64.3-48.7176.6173.80000110.8K106 A135 D136 L137K106-V139 WeakPolarHBondContact CD-O 3.46Å; K106-V139 PolarHBondContact NZ-O 2.97Å; A135-V139 WeakPolarHBondContact O-CG2 3.47Å; A135-V139 PolarHBondContact O-N 3.11Å; D136-V139 PolarHBondContact O-N 3.47Å; L137-V139 VanDerWaalsContact C-N 3.32Å; L137-V139 PolarHBondContact O-N 3.02Å
140L73.2Confident72.4Confident13 Ų1388.6 Ų88.67%0.06848%0.481CS..Hα-helixtrans-60.8-48.7-178.4-70.6174.1000111.9V103 K106 I107 L110 D136 L137V103-L140 HydrophobicContact CG2-CD2 4.36Å; K106-L140 HydrophobicContact CB-CD2 3.88Å; K106-L140 WeakPolarHBondContact CD-O 3.38Å; K106-L140 PolarHBondContact NZ-O 3.36Å; I107-L140 HydrophobicContact CG1-CD2 3.72Å; L110-L140 HydrophobicContact CD2-CD1 4.04Å; L110-L140 HydrophobicContact CD2-CD2 4.39Å; L110-L140 HydrophobicContact CD2-CG 4.4Å; D136-L140 VanDerWaalsContact O-CG 3.3Å; D136-L140 WeakPolarHBondContact O-CG 3.27Å; D136-L140 PolarHBondContact O-N 3.25Å; L137-L140 PolarHBondContact O-N 3.05Å
141F77.4Confident73.4Confident128 Ų12887.3 Ų87.356%0.56147%0.468SS*.Hα-helixtrans-105.6-5.7-169.5-62.9-72.8000115.1L137 I143L137-F141 HydrophobicContact CD2-CD2 4.09Å; L137-F141 HydrophobicContact CD2-CE2 3.83Å; L137-F141 WeakPolarHBondContact O-CD2 3.3Å; L137-F141 PolarHBondContact O-N 3.22Å; F141-I143 VanDerWaalsContact C-N 3.29Å; F141-I143 HydrophobicContact CB-CD1 4.09Å; F141-I143 HydrophobicContact CB-CG1 3.92Å; F141-I143 PolarHBondContact O-N 3.49Å
142G66Low73.6Confident65 Ų6580.8 Ų80.867%0.6745%0.447SS*.  trans68.724.4178.600000114.6R138R138-G142 WeakPolarHBondContact O-CA 3.48Å; R138-G142 PolarHBondContact O-N 2.88Å
143I51.2Low74.2Confident159 Ų15983.1 Ų83.182%0.81546%0.461SS*.  trans-103.30178.949.1173.8000112.5R138 F141R138-I143 WeakPolarHBondContact CA-O 3.16Å; R138-I143 WeakPolarHBondContact CB-O 3.47Å; R138-I143 VanDerWaalsContact CD-O 3.27Å; R138-I143 WeakPolarHBondContact CD-O 3.48Å; R138-I143 WeakPolarHBondContact CG-O 3.47Å; F141-I143 VanDerWaalsContact C-N 3.29Å; F141-I143 HydrophobicContact CB-CD1 4.09Å; F141-I143 HydrophobicContact CB-CG1 3.92Å; F141-I143 PolarHBondContact O-N 3.49Å

Retrieved 143 of 143 residues in 88.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).