A0A087WTZ5_HUMAN Loading...

UBX domain-containing protein 1

AlphaFold DB , UniProt , Accession A0A087WTZ5, Species HUMAN (Homo sapiens, Human), Gene UBXN1, Length 238 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
1M44.1Very low80.5Confident230 Ų23083.8 Ų83.8100%1.13346%0.464SS*.  0123.40-59.7-75.9-95.800105.7
2A57.2Low81.6Confident98 Ų9889 Ų8981%0.8148%0.482SS*.  trans-83130.8168.100000107L4A2-L4 PolarHBondContact O-N 2.76Å
3E67.3Low82.4Confident176 Ų17690.5 Ų90.582%0.82249%0.486SS*.  trans-66.1115.7169.8-69.2-67.2122.100107.7T5E3-T5 PolarHBondContact O-N 2.97Å
4L78.5Confident83.1Confident97 Ų9788.4 Ų88.451%0.50850%0.497SS..  trans-63.5132.5172.5-79.6149.5000108.6A2 E8A2-L4 PolarHBondContact O-N 2.76Å; L4-E8 HydrophobicContact CD2-CB 3.8Å
5T89.6Confident83.7Confident73 Ų7385.5 Ų85.545%0.44848%0.476SS..  trans-66.4151.6173.662.60000109.9E3 L7 E8 S9E3-T5 PolarHBondContact O-N 2.97Å; T5-L7 PolarHBondContact O-N 3.26Å; T5-E8 VanDerWaalsContact CB-OE2 3.32Å; T5-E8 WeakPolarHBondContact CB-OE2 3.26Å; T5-E8 WeakPolarHBondContact CG2-OE2 3.46Å; T5-E8 PolarHBondContact N-OE2 3.09Å; T5-E8 PolarHBondContact O-N 3.31Å; T5-E8 VanDerWaalsContact OG1-CD 3.26Å; T5-E8 VanDerWaalsContact OG1-CG 3.29Å; T5-E8 WeakPolarHBondContact OG1-CG 3.33Å; T5-E8 PolarHBondContact OG1-N 2.65Å; T5-E8 PolarHBondContact OG1-OE2 3.12Å; T5-S9 PolarHBondContact O-N 3.33Å; T5-S9 PolarHBondContact O-OG 3.07Å
6A89Confident84.4Confident32 Ų3285.6 Ų85.626%0.26448%0.482SS..Hα-helixtrans-53.9-28.2176.200000112.9L10 L24 I32A6-L10 WeakPolarHBondContact O-CD1 3.32Å; A6-L10 VanDerWaalsContact O-CG 3.23Å; A6-L10 WeakPolarHBondContact O-CG 3.35Å; A6-L10 PolarHBondContact O-N 2.88Å; A6-L24 HydrophobicContact CB-CD1 4.33Å; A6-L24 HydrophobicContact CB-CD2 4.02Å; A6-I32 HydrophobicContact CB-CG1 3.69Å
7L90.5Very high84.9Confident34 Ų3489.5 Ų89.518%0.17849%0.488CS..Hα-helixtrans-70.7-46.1173.4176.358.1000112.5T5 L10 I11 A20 E21 L24T5-L7 PolarHBondContact O-N 3.26Å; L7-L10 PolarHBondContact O-N 3.48Å; L7-I11 HydrophobicContact CD1-CD1 3.93Å; L7-I11 HydrophobicContact CD1-CG1 4.3Å; L7-I11 HydrophobicContact CG-CD1 3.92Å; L7-I11 WeakPolarHBondContact O-CD1 3.33Å; L7-I11 VanDerWaalsContact O-CG1 3.28Å; L7-I11 WeakPolarHBondContact O-CG1 3.42Å; L7-I11 PolarHBondContact O-N 2.9Å; L7-A20 HydrophobicContact CD1-CB 3.65Å; L7-E21 HydrophobicContact CD1-CB 4.49Å; L7-E21 HydrophobicContact CD1-CG 3.6Å; L7-E21 HydrophobicContact CD2-CG 3.57Å; L7-E21 HydrophobicContact CG-CG 4.25Å; L7-L24 HydrophobicContact CB-CD1 3.81Å; L7-L24 HydrophobicContact CD1-CD1 4.34Å
8E91.8Very high85.4Confident93 Ų9387.5 Ų87.544%0.43549%0.491SS..Hα-helixtrans-64.2-42.3178.3-72.1160.9136.500111.3L4 T5 L10 I11 E12L4-E8 HydrophobicContact CD2-CB 3.8Å; T5-E8 VanDerWaalsContact CB-OE2 3.32Å; T5-E8 WeakPolarHBondContact CB-OE2 3.26Å; T5-E8 WeakPolarHBondContact CG2-OE2 3.46Å; T5-E8 PolarHBondContact N-OE2 3.09Å; T5-E8 PolarHBondContact O-N 3.31Å; T5-E8 VanDerWaalsContact OG1-CD 3.26Å; T5-E8 VanDerWaalsContact OG1-CG 3.29Å; T5-E8 WeakPolarHBondContact OG1-CG 3.33Å; T5-E8 PolarHBondContact OG1-N 2.65Å; T5-E8 PolarHBondContact OG1-OE2 3.12Å; E8-L10 VanDerWaalsContact C-N 3.35Å; E8-L10 PolarHBondContact O-N 3.09Å; E8-I11 PolarHBondContact O-N 3.44Å; E8-I11 VanDerWaalsContact O-N 3.12Å; E8-E12 WeakPolarHBondContact O-CB 3.29Å; E8-E12 PolarHBondContact O-N 2.88Å
9S91.9Very high85.7Confident24 Ų2487.8 Ų87.817%0.16848%0.483CS..Hα-helixtrans-61-40.8174.4-55.60000112.4T5 I11 E12 M13T5-S9 PolarHBondContact O-N 3.33Å; T5-S9 PolarHBondContact O-OG 3.07Å; S9-I11 VanDerWaalsContact C-N 3.33Å; S9-I11 PolarHBondContact O-N 3.42Å; S9-E12 PolarHBondContact O-N 2.99Å; S9-M13 WeakPolarHBondContact O-CB 3.45Å; S9-M13 VanDerWaalsContact O-CG 3.23Å; S9-M13 WeakPolarHBondContact O-CG 3.47Å; S9-M13 PolarHBondContact O-N 2.89Å
10L92.1Very high86.1Confident0 Ų083.4 Ų83.40%046%0.459CS..Hα-helixtrans-64.2-36.9174.1-75.7169.7000112.4A6 L7 E8 M13 G14 F15 A20 L24 I32 A35 M36 M39A6-L10 WeakPolarHBondContact O-CD1 3.32Å; A6-L10 VanDerWaalsContact O-CG 3.23Å; A6-L10 WeakPolarHBondContact O-CG 3.35Å; A6-L10 PolarHBondContact O-N 2.88Å; L7-L10 PolarHBondContact O-N 3.48Å; E8-L10 VanDerWaalsContact C-N 3.35Å; E8-L10 PolarHBondContact O-N 3.09Å; L10-M13 PolarHBondContact O-N 3.09Å; L10-G14 PolarHBondContact O-N 2.93Å; L10-F15 HydrophobicContact CB-CD2 4.44Å; L10-F15 HydrophobicContact CD2-CD2 3.81Å; L10-F15 HydrophobicContact CD2-CE2 4.13Å; L10-F15 WeakPolarHBondContact O-CB 3.44Å; L10-F15 WeakPolarHBondContact O-CD2 3.45Å; L10-F15 PolarHBondContact O-N 3.26Å; L10-A20 HydrophobicContact CB-CB 3.74Å; L10-A20 HydrophobicContact CD1-CB 3.89Å; L10-A20 HydrophobicContact CG-CB 4.44Å; L10-L24 HydrophobicContact CD1-CD1 3.87Å; L10-L24 HydrophobicContact CD1-CD2 4.33Å; L10-L24 HydrophobicContact CD1-CG 3.92Å; L10-I32 HydrophobicContact CD2-CG2 3.76Å; L10-I32 HydrophobicContact CG-CG2 4.09Å; L10-A35 HydrophobicContact CD1-CB 3.82Å; L10-M36 HydrophobicContact CD2-CG 3.57Å; L10-M36 HydrophobicContact CD2-SD 4.38Å; L10-M39 HydrophobicContact CD1-CE 4.34Å; L10-M39 HydrophobicContact CD2-CE 3.93Å
11I94Very high86.4Confident65 Ų6583 Ų8333%0.33345%0.454SS..Hα-helixtrans-69-40.6176-67.5163.7000110.8L7 E8 S9 M13 G14 R17L7-I11 HydrophobicContact CD1-CD1 3.93Å; L7-I11 HydrophobicContact CD1-CG1 4.3Å; L7-I11 HydrophobicContact CG-CD1 3.92Å; L7-I11 WeakPolarHBondContact O-CD1 3.33Å; L7-I11 VanDerWaalsContact O-CG1 3.28Å; L7-I11 WeakPolarHBondContact O-CG1 3.42Å; L7-I11 PolarHBondContact O-N 2.9Å; E8-I11 PolarHBondContact O-N 3.44Å; E8-I11 VanDerWaalsContact O-N 3.12Å; S9-I11 VanDerWaalsContact C-N 3.33Å; S9-I11 PolarHBondContact O-N 3.42Å; I11-M13 VanDerWaalsContact C-N 3.31Å; I11-M13 PolarHBondContact O-N 3.43Å; I11-G14 WeakPolarHBondContact O-CA 3.46Å; I11-G14 PolarHBondContact O-N 3Å; I11-R17 HydrophobicContact CD1-CB 3.82Å; I11-R17 HydrophobicContact CD1-CG 3.84Å; I11-R17 HydrophobicContact CG1-CB 4.09Å
12E93.6Very high88.7Confident146 Ų14678.2 Ų78.268%0.68243%0.427SS*.Hα-helixtrans-64.9-35175.7-170.8171.2-158.500111.8E8 S9 G14E8-E12 WeakPolarHBondContact O-CB 3.29Å; E8-E12 PolarHBondContact O-N 2.88Å; S9-E12 PolarHBondContact O-N 2.99Å; E12-G14 PolarHBondContact O-N 3.22Å
13M91.2Very high90.5Very high108 Ų10873.6 Ų73.653%0.53239%0.388SS..THydrogen-bonded Turntrans-70.61.2168.1-67.917871.700114.1S9 L10 I11 F15 I32 M36S9-M13 WeakPolarHBondContact O-CB 3.45Å; S9-M13 VanDerWaalsContact O-CG 3.23Å; S9-M13 WeakPolarHBondContact O-CG 3.47Å; S9-M13 PolarHBondContact O-N 2.89Å; L10-M13 PolarHBondContact O-N 3.09Å; I11-M13 VanDerWaalsContact C-N 3.31Å; I11-M13 PolarHBondContact O-N 3.43Å; M13-F15 HydrophobicContact CB-CD2 4.11Å; M13-F15 HydrophobicContact CB-CE2 4.24Å; M13-I32 HydrophobicContact SD-CG2 4.29Å; M13-M36 HydrophobicContact CE-CE 3.55Å; M13-M36 HydrophobicContact CE-SD 3.4Å; M13-M36 WeakPolarHBondContact CE-SD 3.33Å; M13-M36 HydrophobicContact SD-SD 4.02Å
14G92.8Very high91.7Very high62 Ų6265.5 Ų65.564%0.63935%0.351SS*.THydrogen-bonded Turntrans87.97.7174.300000115.6L10 I11 E12L10-G14 PolarHBondContact O-N 2.93Å; I11-G14 WeakPolarHBondContact O-CA 3.46Å; I11-G14 PolarHBondContact O-N 3Å; E12-G14 PolarHBondContact O-N 3.22Å
15F92.7Very high92.4Very high44 Ų4464.5 Ų64.519%0.19336%0.356CS..  trans-73.8134.4173.9-66.9-78.9000110.8L10 M13 R17 A20 M36 M39L10-F15 HydrophobicContact CB-CD2 4.44Å; L10-F15 HydrophobicContact CD2-CD2 3.81Å; L10-F15 HydrophobicContact CD2-CE2 4.13Å; L10-F15 WeakPolarHBondContact O-CB 3.44Å; L10-F15 WeakPolarHBondContact O-CD2 3.45Å; L10-F15 PolarHBondContact O-N 3.26Å; M13-F15 HydrophobicContact CB-CD2 4.11Å; M13-F15 HydrophobicContact CB-CE2 4.24Å; F15-R17 PolarHBondContact O-N 2.82Å; F15-A20 HydrophobicContact CB-CB 4.43Å; F15-M36 HydrophobicContact CE2-CE 4.12Å; F15-M36 HydrophobicContact CE2-CG 3.94Å; F15-M36 HydrophobicContact CE2-SD 4.26Å; F15-M36 HydrophobicContact CZ-CE 4.18Å; F15-M36 HydrophobicContact CZ-CG 4.21Å; F15-M39 HydrophobicContact CB-CE 4.29Å; F15-M39 HydrophobicContact CB-SD 4.46Å; F15-M39 HydrophobicContact CD1-CE 3.8Å; F15-M39 HydrophobicContact CD1-SD 3.81Å; F15-M39 HydrophobicContact CD2-CE 4.22Å; F15-M39 HydrophobicContact CE1-CE 4.15Å; F15-M39 HydrophobicContact CE1-SD 4.35Å; F15-M39 HydrophobicContact CG-CE 3.84Å; F15-M39 HydrophobicContact CG-SD 4.25Å
16P94.8Very high92.5Very high87 Ų8766 Ų6657%0.56536%0.362SS*.  trans-59.3130176.3-22.732.5000110.8G18 R19 A20P16-G18 VanDerWaalsContact C-N 3.34Å; P16-G18 PolarHBondContact O-N 3.14Å; P16-R19 HydrophobicContact CB-CB 4.35Å; P16-R19 WeakPolarHBondContact O-CA 3.38Å; P16-R19 WeakPolarHBondContact O-CB 3.23Å; P16-R19 PolarHBondContact O-N 3.04Å; P16-A20 PolarHBondContact O-N 2.8Å
17R92.7Very high92.6Very high153 Ų15365.5 Ų65.558%0.57736%0.355SS*.Hα-helixtrans-44.4-52.4-176.1174.4167.8178.3154.69.7113.8I11 F15 R19 A20 E21I11-R17 HydrophobicContact CD1-CB 3.82Å; I11-R17 HydrophobicContact CD1-CG 3.84Å; I11-R17 HydrophobicContact CG1-CB 4.09Å; F15-R17 PolarHBondContact O-N 2.82Å; R17-R19 PolarHBondContact O-N 3.18Å; R17-A20 PolarHBondContact O-N 3.17Å; R17-A20 VanDerWaalsContact O-N 3.14Å; R17-E21 HydrophobicContact CG-CG 4.21Å; R17-E21 IonicContact CZ-OE1 3.43Å; R17-E21 IonicContact NE-OE1 3.67Å; R17-E21 PolarHBondContact NE-OE1 3.47Å; R17-E21 IonicContact NE-OE2 2.67Å; R17-E21 IonicContact NH2-OE1 3.14Å; R17-E21 PolarHBondContact NH2-OE1 3.12Å; R17-E21 WeakPolarHBondContact O-CB 3.28Å; R17-E21 WeakPolarHBondContact O-CG 3.44Å; R17-E21 PolarHBondContact O-N 3.02Å
18G93.4Very high92.6Very high53 Ų5366.6 Ų66.655%0.54638%0.375SS..Hα-helixtrans-66.1-18179.800000115P16 K22P16-G18 VanDerWaalsContact C-N 3.34Å; P16-G18 PolarHBondContact O-N 3.14Å; G18-K22 WeakPolarHBondContact O-CB 3.39Å; G18-K22 PolarHBondContact O-N 3.32Å
19R91.6Very high92.3Very high93 Ų9368 Ų6835%0.35139%0.385SS..Hα-helixtrans-83.8-41.5171.9-158.3-176.4-174.1168.60.8111.1P16 R17 K22 A23 M39P16-R19 HydrophobicContact CB-CB 4.35Å; P16-R19 WeakPolarHBondContact O-CA 3.38Å; P16-R19 WeakPolarHBondContact O-CB 3.23Å; P16-R19 PolarHBondContact O-N 3.04Å; R17-R19 PolarHBondContact O-N 3.18Å; R19-K22 PolarHBondContact O-N 3.42Å; R19-A23 WeakPolarHBondContact O-CB 3.25Å; R19-A23 PolarHBondContact O-N 3.43Å; R19-M39 HydrophobicContact CB-SD 4.2Å; R19-M39 HydrophobicContact CG-CG 4.26Å; R19-M39 HydrophobicContact CG-SD 3.71Å
20A92.6Very high92Very high0 Ų074.7 Ų74.70%041%0.414CS..Hα-helixtrans-65.4-44.7174.800000112.3L7 L10 F15 P16 R17 K22 A23 L24L7-A20 HydrophobicContact CD1-CB 3.65Å; L10-A20 HydrophobicContact CB-CB 3.74Å; L10-A20 HydrophobicContact CD1-CB 3.89Å; L10-A20 HydrophobicContact CG-CB 4.44Å; F15-A20 HydrophobicContact CB-CB 4.43Å; P16-A20 PolarHBondContact O-N 2.8Å; R17-A20 PolarHBondContact O-N 3.17Å; R17-A20 VanDerWaalsContact O-N 3.14Å; A20-K22 VanDerWaalsContact C-N 3.33Å; A20-K22 PolarHBondContact O-N 2.99Å; A20-A23 PolarHBondContact O-N 2.83Å; A20-L24 WeakPolarHBondContact O-CB 3.33Å; A20-L24 WeakPolarHBondContact O-CG 3.5Å; A20-L24 PolarHBondContact O-N 3.24Å
21E93.1Very high91.8Very high76 Ų7675.8 Ų75.836%0.35543%0.425SS..Hα-helixtrans-57.8-45.1173-75169.9154.900111.1L7 R17 A25L7-E21 HydrophobicContact CD1-CB 4.49Å; L7-E21 HydrophobicContact CD1-CG 3.6Å; L7-E21 HydrophobicContact CD2-CG 3.57Å; L7-E21 HydrophobicContact CG-CG 4.25Å; R17-E21 HydrophobicContact CG-CG 4.21Å; R17-E21 IonicContact CZ-OE1 3.43Å; R17-E21 IonicContact NE-OE1 3.67Å; R17-E21 PolarHBondContact NE-OE1 3.47Å; R17-E21 IonicContact NE-OE2 2.67Å; R17-E21 IonicContact NH2-OE1 3.14Å; R17-E21 PolarHBondContact NH2-OE1 3.12Å; R17-E21 WeakPolarHBondContact O-CB 3.28Å; R17-E21 WeakPolarHBondContact O-CG 3.44Å; R17-E21 PolarHBondContact O-N 3.02Å; E21-A25 VanDerWaalsContact O-CB 3.26Å; E21-A25 WeakPolarHBondContact O-CB 3.49Å; E21-A25 PolarHBondContact O-N 2.92Å
22K93.4Very high91.7Very high129 Ų12975.3 Ų75.356%0.56142%0.423SS*.Hα-helixtrans-67.1-38.1177.8-174.7170.1-177175.40112.7G18 R19 A20 L26 W38G18-K22 WeakPolarHBondContact O-CB 3.39Å; G18-K22 PolarHBondContact O-N 3.32Å; R19-K22 PolarHBondContact O-N 3.42Å; A20-K22 VanDerWaalsContact C-N 3.33Å; A20-K22 PolarHBondContact O-N 2.99Å; K22-L26 HydrophobicContact CG-CD1 3.92Å; K22-L26 WeakPolarHBondContact O-CB 3.33Å; K22-L26 WeakPolarHBondContact O-CG 3.36Å; K22-L26 PolarHBondContact O-N 3.23Å; K22-L26 VanDerWaalsContact O-N 3.12Å; K22-W38 HydrophobicContact CD-CH2 4.48Å; K22-W38 HydrophobicContact CG-CH2 4.24Å
23A93.4Very high91.5Very high0 Ų076.4 Ų76.40%043%0.428CS..Hα-helixtrans-64.5-53.5176.800000111.1R19 A20 A25 L26 T27 A35 W38 M39R19-A23 WeakPolarHBondContact O-CB 3.25Å; R19-A23 PolarHBondContact O-N 3.43Å; A20-A23 PolarHBondContact O-N 2.83Å; A23-A25 VanDerWaalsContact C-N 3.3Å; A23-A25 PolarHBondContact O-N 3.49Å; A23-L26 PolarHBondContact O-N 3.31Å; A23-L26 VanDerWaalsContact O-N 3.09Å; A23-T27 WeakPolarHBondContact O-CG2 3.41Å; A23-T27 PolarHBondContact O-N 3.06Å; A23-T27 PolarHBondContact O-OG1 2.91Å; A23-T27 VanDerWaalsContact O-OG1 3.07Å; A23-A35 HydrophobicContact CB-CB 3.85Å; A23-W38 HydrophobicContact CB-CE3 3.49Å; A23-W38 VanDerWaalsContact CB-CE3 3.49Å; A23-W38 HydrophobicContact CB-CZ3 3.85Å; A23-M39 HydrophobicContact CB-CE 4.01Å; A23-M39 HydrophobicContact CB-CG 3.65Å; A23-M39 HydrophobicContact CB-SD 3.99Å
24L92.4Very high91.6Very high7 Ų772.7 Ų72.74%0.03741%0.414CS..Hα-helixtrans-59-37.8177.5-75.8169000112.9A6 L7 L10 A20 G28 N29 A35A6-L24 HydrophobicContact CB-CD1 4.33Å; A6-L24 HydrophobicContact CB-CD2 4.02Å; L7-L24 HydrophobicContact CB-CD1 3.81Å; L7-L24 HydrophobicContact CD1-CD1 4.34Å; L10-L24 HydrophobicContact CD1-CD1 3.87Å; L10-L24 HydrophobicContact CD1-CD2 4.33Å; L10-L24 HydrophobicContact CD1-CG 3.92Å; A20-L24 WeakPolarHBondContact O-CB 3.33Å; A20-L24 WeakPolarHBondContact O-CG 3.5Å; A20-L24 PolarHBondContact O-N 3.24Å; L24-G28 PolarHBondContact O-N 3.39Å; L24-G28 VanDerWaalsContact O-N 3.09Å; L24-N29 PolarHBondContact O-N 3.28Å; L24-A35 HydrophobicContact CD2-CB 3.79Å; L24-A35 HydrophobicContact CG-CB 3.94Å
25A93.1Very high91.6Very high75 Ų7569.7 Ų69.762%0.6238%0.384SS*.Hα-helixtrans-66.4-37.1175.300000112.9E21 A23E21-A25 VanDerWaalsContact O-CB 3.26Å; E21-A25 WeakPolarHBondContact O-CB 3.49Å; E21-A25 PolarHBondContact O-N 2.92Å; A23-A25 VanDerWaalsContact C-N 3.3Å; A23-A25 PolarHBondContact O-N 3.49Å
26L92.3Very high91.5Very high106 Ų10669.9 Ų69.956%0.55539%0.385SS*.Hα-helixtrans-81.1-27.4179.4-72.3168.9000113.2K22 A23 G28 W38K22-L26 HydrophobicContact CG-CD1 3.92Å; K22-L26 WeakPolarHBondContact O-CB 3.33Å; K22-L26 WeakPolarHBondContact O-CG 3.36Å; K22-L26 PolarHBondContact O-N 3.23Å; K22-L26 VanDerWaalsContact O-N 3.12Å; A23-L26 PolarHBondContact O-N 3.31Å; A23-L26 VanDerWaalsContact O-N 3.09Å; L26-G28 VanDerWaalsContact C-N 3.33Å; L26-W38 HydrophobicContact CD1-CH2 3.65Å; L26-W38 HydrophobicContact CD1-CZ2 3.23Å; L26-W38 HydrophobicContact CD1-CZ3 4.49Å
27T92.3Very high91.4Very high20 Ų2070.5 Ų70.512%0.12338%0.384CS..THydrogen-bonded Turntrans-91.57.6173.463.40000113.2A23 N29 Q30 A34 W38A23-T27 WeakPolarHBondContact O-CG2 3.41Å; A23-T27 PolarHBondContact O-N 3.06Å; A23-T27 PolarHBondContact O-OG1 2.91Å; A23-T27 VanDerWaalsContact O-OG1 3.07Å; T27-N29 VanDerWaalsContact C-N 3.32Å; T27-N29 PolarHBondContact O-N 3.47Å; T27-Q30 WeakPolarHBondContact O-CB 3.34Å; T27-Q30 VanDerWaalsContact O-CG 3.25Å; T27-Q30 WeakPolarHBondContact O-CG 3.42Å; T27-Q30 PolarHBondContact O-N 3.34Å; T27-A34 HydrophobicContact CG2-CB 4.34Å; T27-A34 WeakPolarHBondContact CG2-O 3.34Å; T27-W38 HydrophobicContact CG2-CB 3.81Å; T27-W38 HydrophobicContact CG2-CG 4.26Å
28G90.3Very high91.5Very high58 Ų5866.6 Ų66.660%0.59837%0.369SS*.THydrogen-bonded Turntrans63.131.4174.300000114.7L24 L26 Q30L24-G28 PolarHBondContact O-N 3.39Å; L24-G28 VanDerWaalsContact O-N 3.09Å; L26-G28 VanDerWaalsContact C-N 3.33Å; G28-Q30 PolarHBondContact O-N 3.24Å
29N84.5Confident91.4Very high122 Ų12264.2 Ų64.265%0.65234%0.344SS*.THydrogen-bonded Turntrans56.529.8-174.2-71.5-44.5000114.8L24 T27 G31L24-N29 PolarHBondContact O-N 3.28Å; T27-N29 VanDerWaalsContact C-N 3.32Å; T27-N29 PolarHBondContact O-N 3.47Å; N29-G31 PolarHBondContact O-N 3.16Å; N29-G31 VanDerWaalsContact O-N 3.09Å
30Q86.3Confident91.4Very high164 Ų16464.6 Ų64.677%0.76635%0.353SS*.  trans-65.5-7.1176.2-75.7-179.5-25.100115T27 G28 A34T27-Q30 WeakPolarHBondContact O-CB 3.34Å; T27-Q30 VanDerWaalsContact O-CG 3.25Å; T27-Q30 WeakPolarHBondContact O-CG 3.42Å; T27-Q30 PolarHBondContact O-N 3.34Å; G28-Q30 PolarHBondContact O-N 3.24Å; Q30-A34 HydrophobicContact CB-CB 4.11Å
31G88.5Confident91.4Very high23 Ų2369.5 Ų69.524%0.23738%0.376CS..  trans134177173.500000113.3N29 A35N29-G31 PolarHBondContact O-N 3.16Å; N29-G31 VanDerWaalsContact O-N 3.09Å; G31-A35 PolarHBondContact O-N 2.96Å
32I90.1Very high91.4Very high56 Ų5669.5 Ų69.529%0.28738%0.378SS..Hα-helixtrans-62.1-44.9178.4-62.9163.3000110.5A6 L10 M13 A35 M36A6-I32 HydrophobicContact CB-CG1 3.69Å; L10-I32 HydrophobicContact CD2-CG2 3.76Å; L10-I32 HydrophobicContact CG-CG2 4.09Å; M13-I32 HydrophobicContact SD-CG2 4.29Å; I32-A35 PolarHBondContact O-N 3.41Å; I32-M36 HydrophobicContact CG2-CG 4.31Å; I32-M36 HydrophobicContact CG2-SD 3.99Å; I32-M36 WeakPolarHBondContact O-CG 3.41Å; I32-M36 PolarHBondContact O-N 3.35Å
33E90.8Very high91.3Very high168 Ų16866.2 Ų66.279%0.78537%0.368SS*.Hα-helixtrans-62.3-48-175.4-166.5169.4-154.500112.3A35 M36 D37E33-A35 VanDerWaalsContact C-N 3.33Å; E33-A35 PolarHBondContact O-N 3.48Å; E33-M36 PolarHBondContact O-N 3.19Å; E33-D37 WeakPolarHBondContact O-CB 3.29Å; E33-D37 PolarHBondContact O-N 3.11Å
34A92.3Very high91.4Very high30 Ų3068.2 Ų68.225%0.24839%0.385CS..Hα-helixtrans-60-41.7175.300000112.3T27 Q30 D37 W38T27-A34 HydrophobicContact CG2-CB 4.34Å; T27-A34 WeakPolarHBondContact CG2-O 3.34Å; Q30-A34 HydrophobicContact CB-CB 4.11Å; A34-D37 PolarHBondContact O-N 2.89Å; A34-W38 PolarHBondContact O-N 3.18Å
35A92.6Very high91.4Very high0 Ų073.2 Ų73.20%041%0.408CS..Hα-helixtrans-67.3-35.4176.900000112.8L10 A23 L24 G31 I32 E33 M39L10-A35 HydrophobicContact CD1-CB 3.82Å; A23-A35 HydrophobicContact CB-CB 3.85Å; L24-A35 HydrophobicContact CD2-CB 3.79Å; L24-A35 HydrophobicContact CG-CB 3.94Å; G31-A35 PolarHBondContact O-N 2.96Å; I32-A35 PolarHBondContact O-N 3.41Å; E33-A35 VanDerWaalsContact C-N 3.33Å; E33-A35 PolarHBondContact O-N 3.48Å; A35-M39 WeakPolarHBondContact O-CE 3.23Å; A35-M39 WeakPolarHBondContact O-CG 3.48Å; A35-M39 PolarHBondContact O-N 2.92Å; A35-M39 VanDerWaalsContact O-N 3.16Å
36M91.5Very high91.4Very high47 Ų4775.2 Ų75.223%0.23240%0.403CS..Hα-helixtrans-66.5-47.9172.7-74.3-178.262.700111.9L10 M13 F15 I32 E33 W38 M39 L40L10-M36 HydrophobicContact CD2-CG 3.57Å; L10-M36 HydrophobicContact CD2-SD 4.38Å; M13-M36 HydrophobicContact CE-CE 3.55Å; M13-M36 HydrophobicContact CE-SD 3.4Å; M13-M36 WeakPolarHBondContact CE-SD 3.33Å; M13-M36 HydrophobicContact SD-SD 4.02Å; F15-M36 HydrophobicContact CE2-CE 4.12Å; F15-M36 HydrophobicContact CE2-CG 3.94Å; F15-M36 HydrophobicContact CE2-SD 4.26Å; F15-M36 HydrophobicContact CZ-CE 4.18Å; F15-M36 HydrophobicContact CZ-CG 4.21Å; I32-M36 HydrophobicContact CG2-CG 4.31Å; I32-M36 HydrophobicContact CG2-SD 3.99Å; I32-M36 WeakPolarHBondContact O-CG 3.41Å; I32-M36 PolarHBondContact O-N 3.35Å; E33-M36 PolarHBondContact O-N 3.19Å; M36-W38 PolarHBondContact O-N 3.26Å; M36-M39 PolarHBondContact O-N 3.13Å; M36-M39 VanDerWaalsContact O-N 3.08Å; M36-L40 WeakPolarHBondContact O-CB 3.45Å; M36-L40 WeakPolarHBondContact O-CG 3.47Å; M36-L40 PolarHBondContact O-N 3.11Å
37D93Very high91.4Very high101 Ų10175.3 Ų75.354%0.5440%0.4SS..Hα-helixtrans-57.1-49.5179.6-171.8-113.1000111E33 A34 M39 L40 E41E33-D37 WeakPolarHBondContact O-CB 3.29Å; E33-D37 PolarHBondContact O-N 3.11Å; A34-D37 PolarHBondContact O-N 2.89Å; D37-M39 VanDerWaalsContact C-N 3.32Å; D37-M39 PolarHBondContact O-N 3.38Å; D37-L40 PolarHBondContact O-N 3.03Å; D37-L40 VanDerWaalsContact O-N 3.13Å; D37-E41 PolarHBondContact O-N 3.44Å
38W93.6Very high91.4Very high70 Ų7082.1 Ų82.127%0.26542%0.424SS..Hα-helixtrans-57.7-40.2173.5-179.285.1000113.3K22 A23 L26 T27 A34 M36 L42K22-W38 HydrophobicContact CD-CH2 4.48Å; K22-W38 HydrophobicContact CG-CH2 4.24Å; A23-W38 HydrophobicContact CB-CE3 3.49Å; A23-W38 VanDerWaalsContact CB-CE3 3.49Å; A23-W38 HydrophobicContact CB-CZ3 3.85Å; L26-W38 HydrophobicContact CD1-CH2 3.65Å; L26-W38 HydrophobicContact CD1-CZ2 3.23Å; L26-W38 HydrophobicContact CD1-CZ3 4.49Å; T27-W38 HydrophobicContact CG2-CB 3.81Å; T27-W38 HydrophobicContact CG2-CG 4.26Å; A34-W38 PolarHBondContact O-N 3.18Å; M36-W38 PolarHBondContact O-N 3.26Å; W38-L42 HydrophobicContact CH2-CD2 3.56Å; W38-L42 HydrophobicContact CZ2-CD2 3.96Å; W38-L42 HydrophobicContact CZ3-CD2 4.01Å; W38-L42 VanDerWaalsContact O-CB 3.29Å; W38-L42 WeakPolarHBondContact O-CB 3.4Å; W38-L42 PolarHBondContact O-N 2.82Å
39M92.3Very high91.6Very high3 Ų386 Ų862%0.01543%0.426CS..Hα-helixtrans-68.7-37.8177.1-77.9-169.8-76.800112.7L10 F15 R19 A23 A35 M36 D37 V43L10-M39 HydrophobicContact CD1-CE 4.34Å; L10-M39 HydrophobicContact CD2-CE 3.93Å; F15-M39 HydrophobicContact CB-CE 4.29Å; F15-M39 HydrophobicContact CB-SD 4.46Å; F15-M39 HydrophobicContact CD1-CE 3.8Å; F15-M39 HydrophobicContact CD1-SD 3.81Å; F15-M39 HydrophobicContact CD2-CE 4.22Å; F15-M39 HydrophobicContact CE1-CE 4.15Å; F15-M39 HydrophobicContact CE1-SD 4.35Å; F15-M39 HydrophobicContact CG-CE 3.84Å; F15-M39 HydrophobicContact CG-SD 4.25Å; R19-M39 HydrophobicContact CB-SD 4.2Å; R19-M39 HydrophobicContact CG-CG 4.26Å; R19-M39 HydrophobicContact CG-SD 3.71Å; A23-M39 HydrophobicContact CB-CE 4.01Å; A23-M39 HydrophobicContact CB-CG 3.65Å; A23-M39 HydrophobicContact CB-SD 3.99Å; A35-M39 WeakPolarHBondContact O-CE 3.23Å; A35-M39 WeakPolarHBondContact O-CG 3.48Å; A35-M39 PolarHBondContact O-N 2.92Å; A35-M39 VanDerWaalsContact O-N 3.16Å; M36-M39 PolarHBondContact O-N 3.13Å; M36-M39 VanDerWaalsContact O-N 3.08Å; D37-M39 VanDerWaalsContact C-N 3.32Å; D37-M39 PolarHBondContact O-N 3.38Å; M39-V43 WeakPolarHBondContact O-CG2 3.43Å; M39-V43 PolarHBondContact O-N 3.29Å; M39-V43 VanDerWaalsContact O-N 3.13Å
40L91.8Very high91.9Very high101 Ų10186.4 Ų86.453%0.52942%0.418SS..Hα-helixtrans-69.6-45.3177.2-71.8170.4000110.9M36 D37 L42 V43 A44M36-L40 WeakPolarHBondContact O-CB 3.45Å; M36-L40 WeakPolarHBondContact O-CG 3.47Å; M36-L40 PolarHBondContact O-N 3.11Å; D37-L40 PolarHBondContact O-N 3.03Å; D37-L40 VanDerWaalsContact O-N 3.13Å; L40-L42 VanDerWaalsContact C-N 3.32Å; L40-L42 PolarHBondContact O-N 3.13Å; L40-V43 WeakPolarHBondContact O-CB 3.32Å; L40-V43 PolarHBondContact O-N 3.08Å; L40-V43 VanDerWaalsContact O-N 3.11Å; L40-A44 WeakPolarHBondContact O-CB 3.26Å; L40-A44 PolarHBondContact O-N 2.89Å
41E92.9Very high92.2Very high103 Ų10385.3 Ų85.348%0.48141%0.414SS..Hα-helixtrans-62.7-40.3176.2-162.4-175.3134.800111.1D37 V43 A44 Q45D37-E41 PolarHBondContact O-N 3.44Å; E41-V43 VanDerWaalsContact C-N 3.31Å; E41-V43 PolarHBondContact O-N 3.46Å; E41-A44 PolarHBondContact O-N 2.89Å; E41-A44 VanDerWaalsContact O-N 3.13Å; E41-Q45 HydrophobicContact CG-CG 4.48Å; E41-Q45 PolarHBondContact O-N 3.36Å; E41-Q45 PolarHBondContact OE1-NE2 3.35Å; E41-Q45 VanDerWaalsContact OE1-NE2 3.11Å
42L92.6Very high92.5Very high76 Ų7690 Ų9040%0.39843%0.429SS..Hα-helixtrans-63.2-34.1173.9-177.564.9000113W38 L40 K46W38-L42 HydrophobicContact CH2-CD2 3.56Å; W38-L42 HydrophobicContact CZ2-CD2 3.96Å; W38-L42 HydrophobicContact CZ3-CD2 4.01Å; W38-L42 VanDerWaalsContact O-CB 3.29Å; W38-L42 WeakPolarHBondContact O-CB 3.4Å; W38-L42 PolarHBondContact O-N 2.82Å; L40-L42 VanDerWaalsContact C-N 3.32Å; L40-L42 PolarHBondContact O-N 3.13Å; L42-K46 WeakPolarHBondContact O-CB 3.49Å; L42-K46 PolarHBondContact O-N 2.84Å
43V91.8Very high92.6Very high61 Ų6194.5 Ų94.537%0.3744%0.443SS..Hα-helixtrans-68.1-47.51701740000110.1M39 L40 E41 Q45 K46 Q47M39-V43 WeakPolarHBondContact O-CG2 3.43Å; M39-V43 PolarHBondContact O-N 3.29Å; M39-V43 VanDerWaalsContact O-N 3.13Å; L40-V43 WeakPolarHBondContact O-CB 3.32Å; L40-V43 PolarHBondContact O-N 3.08Å; L40-V43 VanDerWaalsContact O-N 3.11Å; E41-V43 VanDerWaalsContact C-N 3.31Å; E41-V43 PolarHBondContact O-N 3.46Å; V43-Q45 PolarHBondContact O-N 3.47Å; V43-K46 PolarHBondContact O-N 3.13Å; V43-Q47 HydrophobicContact CG1-CG 4.12Å; V43-Q47 WeakPolarHBondContact O-CB 3.49Å; V43-Q47 WeakPolarHBondContact O-CG 3.45Å; V43-Q47 PolarHBondContact O-N 2.83Å
44A94Very high92.7Very high41 Ų4192.4 Ų92.434%0.33943%0.433SS..Hα-helixtrans-61-44.7-177.600000112.1L40 E41 Q47 R48L40-A44 WeakPolarHBondContact O-CB 3.26Å; L40-A44 PolarHBondContact O-N 2.89Å; E41-A44 PolarHBondContact O-N 2.89Å; E41-A44 VanDerWaalsContact O-N 3.13Å; A44-Q47 PolarHBondContact O-N 3.2Å; A44-R48 VanDerWaalsContact O-CG 3.26Å; A44-R48 WeakPolarHBondContact O-CG 3.48Å; A44-R48 PolarHBondContact O-N 3.24Å
45Q92.1Very high92.8Very high113 Ų11397.6 Ų97.653%0.52845%0.452SS..Hα-helixtrans-61.5-45.7173.8-71.7-160.620.200111.6E41 V43 Q47 R48 E49E41-Q45 HydrophobicContact CG-CG 4.48Å; E41-Q45 PolarHBondContact O-N 3.36Å; E41-Q45 PolarHBondContact OE1-NE2 3.35Å; E41-Q45 VanDerWaalsContact OE1-NE2 3.11Å; V43-Q45 PolarHBondContact O-N 3.47Å; Q45-Q47 VanDerWaalsContact C-N 3.29Å; Q45-Q47 PolarHBondContact O-N 2.8Å; Q45-R48 PolarHBondContact O-N 2.91Å; Q45-E49 WeakPolarHBondContact O-CB 3.24Å; Q45-E49 PolarHBondContact O-N 3.26Å
46K93.8Very high92.8Very high117 Ų117105.8 Ų105.851%0.50948%0.483SS..Hα-helixtrans-65.8-30.7178.8-171.5172.6-176.3174.50113.1L42 V43 R50L42-K46 WeakPolarHBondContact O-CB 3.49Å; L42-K46 PolarHBondContact O-N 2.84Å; V43-K46 PolarHBondContact O-N 3.13Å; K46-R50 WeakPolarHBondContact O-CB 3.34Å; K46-R50 WeakPolarHBondContact O-CD 3.35Å; K46-R50 VanDerWaalsContact O-CG 3.24Å; K46-R50 WeakPolarHBondContact O-CG 3.37Å; K46-R50 PolarHBondContact O-N 2.86Å
47Q91.9Very high92.9Very high107 Ų107106.8 Ų106.850%0.549%0.487SS..Hα-helixtrans-73.2-43172.9-72.1-58114.600111.6V43 A44 Q45 R50 E51V43-Q47 HydrophobicContact CG1-CG 4.12Å; V43-Q47 WeakPolarHBondContact O-CB 3.49Å; V43-Q47 WeakPolarHBondContact O-CG 3.45Å; V43-Q47 PolarHBondContact O-N 2.83Å; A44-Q47 PolarHBondContact O-N 3.2Å; Q45-Q47 VanDerWaalsContact C-N 3.29Å; Q45-Q47 PolarHBondContact O-N 2.8Å; Q47-R50 PolarHBondContact O-N 2.85Å; Q47-E51 WeakPolarHBondContact O-CB 3.18Å; Q47-E51 PolarHBondContact O-N 2.98Å
48R93.4Very high93Very high164 Ų164104.6 Ų104.662%0.61948%0.483SS*.Hα-helixtrans-59.4-48.3174-71167.3-174.2-85.13.4112A44 Q45 R50 E51 E52A44-R48 VanDerWaalsContact O-CG 3.26Å; A44-R48 WeakPolarHBondContact O-CG 3.48Å; A44-R48 PolarHBondContact O-N 3.24Å; Q45-R48 PolarHBondContact O-N 2.91Å; R48-R50 VanDerWaalsContact C-N 3.27Å; R48-R50 PolarHBondContact O-N 2.8Å; R48-E51 PolarHBondContact O-N 3.16Å; R48-E52 WeakPolarHBondContact O-CB 3.29Å; R48-E52 WeakPolarHBondContact O-CG 3.45Å; R48-E52 PolarHBondContact O-N 3.28Å
49E93.4Very high93Very high139 Ų139106.5 Ų106.565%0.6550%0.498SS*.Hα-helixtrans-60.7-36.7178.2-171.8-170.591.300112.1Q45 R53Q45-E49 WeakPolarHBondContact O-CB 3.24Å; Q45-E49 PolarHBondContact O-N 3.26Å; E49-R53 WeakPolarHBondContact O-CB 3.45Å; E49-R53 PolarHBondContact O-N 3.13Å; E49-R53 VanDerWaalsContact O-N 3.13Å
50R92.3Very high93Very high130 Ų130112.7 Ų112.749%0.49153%0.527SS..Hα-helixtrans-67.2-49.5173.2-78.1173.4170.7-131.8-10.8111.9K46 Q47 R48 R53 E54K46-R50 WeakPolarHBondContact O-CB 3.34Å; K46-R50 WeakPolarHBondContact O-CD 3.35Å; K46-R50 VanDerWaalsContact O-CG 3.24Å; K46-R50 WeakPolarHBondContact O-CG 3.37Å; K46-R50 PolarHBondContact O-N 2.86Å; Q47-R50 PolarHBondContact O-N 2.85Å; R48-R50 VanDerWaalsContact C-N 3.27Å; R48-R50 PolarHBondContact O-N 2.8Å; R50-R53 PolarHBondContact O-N 2.63Å; R50-R53 VanDerWaalsContact O-N 3.16Å; R50-E54 WeakPolarHBondContact O-CB 3.4Å; R50-E54 WeakPolarHBondContact O-CG 3.47Å; R50-E54 PolarHBondContact O-N 2.83Å
51E92.4Very high93Very high142 Ų142116.3 Ų116.366%0.66453%0.533SS*.Hα-helixtrans-62.1-44.9-179.1-168.9166.982.600111.8Q47 R48 R53 E54 E55Q47-E51 WeakPolarHBondContact O-CB 3.18Å; Q47-E51 PolarHBondContact O-N 2.98Å; R48-E51 PolarHBondContact O-N 3.16Å; E51-R53 VanDerWaalsContact C-N 3.32Å; E51-R53 PolarHBondContact O-N 3.17Å; E51-E54 PolarHBondContact O-N 3.42Å; E51-E55 VanDerWaalsContact O-CB 3.3Å; E51-E55 WeakPolarHBondContact O-CB 3.49Å; E51-E55 PolarHBondContact O-N 2.95Å
52E94.3Very high93Very high122 Ų122115.6 Ų115.657%0.5753%0.53SS*.Hα-helixtrans-62.4-36.9173.5-74-176.677.300112.6R48 R56R48-E52 WeakPolarHBondContact O-CB 3.29Å; R48-E52 WeakPolarHBondContact O-CG 3.45Å; R48-E52 PolarHBondContact O-N 3.28Å; E52-R56 WeakPolarHBondContact O-CB 3.45Å; E52-R56 VanDerWaalsContact O-CG 3.29Å; E52-R56 WeakPolarHBondContact O-CG 3.35Å; E52-R56 PolarHBondContact O-N 3.38Å
53R92.9Very high93.1Very high149 Ų149118.9 Ų118.956%0.56254%0.537SS*.Hα-helixtrans-70.7-43.1176.9-174.2178.8173.2-65.5-22.5111.3E49 R50 E51 R56 E57E49-R53 WeakPolarHBondContact O-CB 3.45Å; E49-R53 PolarHBondContact O-N 3.13Å; E49-R53 VanDerWaalsContact O-N 3.13Å; R50-R53 PolarHBondContact O-N 2.63Å; R50-R53 VanDerWaalsContact O-N 3.16Å; E51-R53 VanDerWaalsContact C-N 3.32Å; E51-R53 PolarHBondContact O-N 3.17Å; R53-R56 PolarHBondContact O-N 3.47Å; R53-E57 IonicContact CZ-OE2 2.97Å; R53-E57 IonicContact NE-OE2 2.76Å; R53-E57 IonicContact NH1-OE2 2.72Å; R53-E57 PolarHBondContact NH1-OE2 3.01Å; R53-E57 IonicContact NH2-OE1 3.32Å; R53-E57 IonicContact NH2-OE2 3.84Å; R53-E57 PolarHBondContact NH2-OE2 3.31Å; R53-E57 WeakPolarHBondContact O-CG 3.29Å; R53-E57 PolarHBondContact O-N 3.34Å
54E92.1Very high93.1Very high125 Ų125121.3 Ų121.358%0.58455%0.545SS*.Hα-helixtrans-68.1-39176.9-71.8179.287.500111.6R50 E51 E57 A58R50-E54 WeakPolarHBondContact O-CB 3.4Å; R50-E54 WeakPolarHBondContact O-CG 3.47Å; R50-E54 PolarHBondContact O-N 2.83Å; E51-E54 PolarHBondContact O-N 3.42Å; E54-E57 PolarHBondContact O-N 3.41Å; E54-A58 VanDerWaalsContact O-CB 3.26Å; E54-A58 WeakPolarHBondContact O-CB 3.46Å; E54-A58 PolarHBondContact O-N 3.36Å
55E94.7Very high93.1Very high138 Ų138128.5 Ų128.565%0.64556%0.563SS**Hα-helixtrans-63.1-45.5172.5-170.8-173.887.200111.1E51 A58 L59E51-E55 VanDerWaalsContact O-CB 3.3Å; E51-E55 WeakPolarHBondContact O-CB 3.49Å; E51-E55 PolarHBondContact O-N 2.95Å; E55-A58 PolarHBondContact O-N 2.89Å; E55-L59 VanDerWaalsContact O-CB 3.28Å; E55-L59 WeakPolarHBondContact O-CB 3.26Å; E55-L59 PolarHBondContact O-N 2.78Å
56R92.8Very high93Very high172 Ų172129.3 Ų129.365%0.64956%0.561SS**Hα-helixtrans-59.9-46.9174.4-81.3173.9169.9-94.31112.3E52 R53 A58 L59 E60E52-R56 WeakPolarHBondContact O-CB 3.45Å; E52-R56 VanDerWaalsContact O-CG 3.29Å; E52-R56 WeakPolarHBondContact O-CG 3.35Å; E52-R56 PolarHBondContact O-N 3.38Å; R53-R56 PolarHBondContact O-N 3.47Å; R56-A58 VanDerWaalsContact C-N 3.33Å; R56-A58 PolarHBondContact O-N 3.44Å; R56-L59 PolarHBondContact O-N 3Å; R56-E60 WeakPolarHBondContact O-CB 3.11Å; R56-E60 PolarHBondContact O-N 2.79Å
57E93.4Very high93.1Very high68 Ų68130 Ų13032%0.31856%0.56SS.*Hα-helixtrans-63.8-37.5177.1-75.8-172.98900112.2R53 E54 R61R53-E57 IonicContact CZ-OE2 2.97Å; R53-E57 IonicContact NE-OE2 2.76Å; R53-E57 IonicContact NH1-OE2 2.72Å; R53-E57 PolarHBondContact NH1-OE2 3.01Å; R53-E57 IonicContact NH2-OE1 3.32Å; R53-E57 IonicContact NH2-OE2 3.84Å; R53-E57 PolarHBondContact NH2-OE2 3.31Å; R53-E57 WeakPolarHBondContact O-CG 3.29Å; R53-E57 PolarHBondContact O-N 3.34Å; E54-E57 PolarHBondContact O-N 3.41Å; E57-R61 WeakPolarHBondContact O-CB 3.3Å; E57-R61 VanDerWaalsContact O-CG 3.29Å; E57-R61 WeakPolarHBondContact O-CG 3.28Å; E57-R61 PolarHBondContact O-N 2.86Å
58A94Very high93Very high56 Ų56130.6 Ų130.646%0.46356%0.563SS.*Hα-helixtrans-66.7-46.6174.900000111.9E54 E55 R56 E60 R61 E62E54-A58 VanDerWaalsContact O-CB 3.26Å; E54-A58 WeakPolarHBondContact O-CB 3.46Å; E54-A58 PolarHBondContact O-N 3.36Å; E55-A58 PolarHBondContact O-N 2.89Å; R56-A58 VanDerWaalsContact C-N 3.33Å; R56-A58 PolarHBondContact O-N 3.44Å; A58-E60 PolarHBondContact O-N 3.49Å; A58-R61 PolarHBondContact O-N 2.9Å; A58-E62 WeakPolarHBondContact O-CB 3.43Å; A58-E62 PolarHBondContact O-N 3.32Å
59L93.8Very high92.9Very high110 Ų110125.1 Ų125.158%0.57656%0.558SS**Hα-helixtrans-64.4-39.5178.8-166.373.2000111.4E55 R56 R63E55-L59 VanDerWaalsContact O-CB 3.28Å; E55-L59 WeakPolarHBondContact O-CB 3.26Å; E55-L59 PolarHBondContact O-N 2.78Å; R56-L59 PolarHBondContact O-N 3Å; L59-R63 WeakPolarHBondContact O-CB 3.38Å; L59-R63 PolarHBondContact O-N 3.48Å
60E92Very high92.8Very high133 Ų133124.9 Ų124.962%0.62156%0.557SS**Hα-helixtrans-65.4-45172.9-80.4-163.573.100112.3R56 A58 E62 R63 Q64R56-E60 WeakPolarHBondContact O-CB 3.11Å; R56-E60 PolarHBondContact O-N 2.79Å; A58-E60 PolarHBondContact O-N 3.49Å; E60-E62 PolarHBondContact O-N 2.9Å; E60-R63 PolarHBondContact O-N 2.81Å; E60-Q64 VanDerWaalsContact O-CB 3.27Å; E60-Q64 WeakPolarHBondContact O-CB 3.27Å; E60-Q64 PolarHBondContact O-N 3.29Å
61R93.2Very high92.8Very high177 Ų177125.3 Ų125.367%0.66856%0.564SS**Hα-helixtrans-60.2-45175.2-77175.7-177169.36.6112.2E57 A58 Q64 R65E57-R61 WeakPolarHBondContact O-CB 3.3Å; E57-R61 VanDerWaalsContact O-CG 3.29Å; E57-R61 WeakPolarHBondContact O-CG 3.28Å; E57-R61 PolarHBondContact O-N 2.86Å; A58-R61 PolarHBondContact O-N 2.9Å; R61-Q64 PolarHBondContact O-N 3.29Å; R61-R65 PolarHBondContact O-N 2.85Å
62E92.1Very high92.4Very high88 Ų88123.7 Ų123.741%0.41156%0.56SS.*Hα-helixtrans-66.9-41.4179.4-157.8-161.7-172.300111.3A58 E60 Q64 R65 R66A58-E62 WeakPolarHBondContact O-CB 3.43Å; A58-E62 PolarHBondContact O-N 3.32Å; E60-E62 PolarHBondContact O-N 2.9Å; E62-Q64 VanDerWaalsContact C-N 3.35Å; E62-R65 PolarHBondContact O-N 2.78Å; E62-R66 PolarHBondContact O-N 3.11Å; E62-R66 IonicContact OE1-CZ 2.78Å; E62-R66 IonicContact OE1-NH1 3.76Å; E62-R66 PolarHBondContact OE1-NH1 3.42Å; E62-R66 VanDerWaalsContact OE1-NH1 3.11Å; E62-R66 IonicContact OE1-NH2 3.18Å; E62-R66 PolarHBondContact OE1-NH2 2.94Å; E62-R66 IonicContact OE2-CZ 2.7Å; E62-R66 IonicContact OE2-NH1 2.98Å; E62-R66 PolarHBondContact OE2-NH1 3.48Å; E62-R66 IonicContact OE2-NH2 3.55Å
63R95Very high92.1Very high145 Ų145121 Ų12155%0.54756%0.555SS.*Hα-helixtrans-63.1-39.4173.4-170-179.3-165.5-169.36.5111.7L59 E60 R66 R67L59-R63 WeakPolarHBondContact O-CB 3.38Å; L59-R63 PolarHBondContact O-N 3.48Å; E60-R63 PolarHBondContact O-N 2.81Å; R63-R66 PolarHBondContact O-N 3.38Å; R63-R67 VanDerWaalsContact O-CB 3.32Å; R63-R67 WeakPolarHBondContact O-CB 3.44Å; R63-R67 VanDerWaalsContact O-CG 3.28Å; R63-R67 WeakPolarHBondContact O-CG 3.28Å; R63-R67 PolarHBondContact O-N 3.31Å
64Q90.9Very high92.2Very high112 Ų112116.1 Ų116.152%0.52355%0.546SS..Hα-helixtrans-66.4-42.6176.8-170.3172.314.900111.3E60 R61 E62 R67 Q68E60-Q64 VanDerWaalsContact O-CB 3.27Å; E60-Q64 WeakPolarHBondContact O-CB 3.27Å; E60-Q64 PolarHBondContact O-N 3.29Å; R61-Q64 PolarHBondContact O-N 3.29Å; E62-Q64 VanDerWaalsContact C-N 3.35Å; Q64-R67 PolarHBondContact O-N 2.88Å; Q64-Q68 WeakPolarHBondContact O-CG 3.21Å; Q64-Q68 PolarHBondContact O-N 3.42Å
65R95.2Very high92.3Very high191 Ų191112.5 Ų112.572%0.72154%0.537SS*.Hα-helixtrans-59.3-46.8172.8-174.1-174.1-179.9-81.8-1.6111.9R61 E62 G69R61-R65 PolarHBondContact O-N 2.85Å; E62-R65 PolarHBondContact O-N 2.78Å; R65-G69 PolarHBondContact O-N 2.76Å
66R89.6Confident92.1Very high131 Ų131114.1 Ų114.149%0.49454%0.538SS..Hα-helixtrans-62.9-44.4176.3-73.3-170.9-179.6100.87.3111.7E62 R63 G69 Q70E62-R66 PolarHBondContact O-N 3.11Å; E62-R66 IonicContact OE1-CZ 2.78Å; E62-R66 IonicContact OE1-NH1 3.76Å; E62-R66 PolarHBondContact OE1-NH1 3.42Å; E62-R66 VanDerWaalsContact OE1-NH1 3.11Å; E62-R66 IonicContact OE1-NH2 3.18Å; E62-R66 PolarHBondContact OE1-NH2 2.94Å; E62-R66 IonicContact OE2-CZ 2.7Å; E62-R66 IonicContact OE2-NH1 2.98Å; E62-R66 PolarHBondContact OE2-NH1 3.48Å; E62-R66 IonicContact OE2-NH2 3.55Å; R63-R66 PolarHBondContact O-N 3.38Å; R66-G69 PolarHBondContact O-N 3.25Å; R66-Q70 WeakPolarHBondContact O-CB 3.25Å; R66-Q70 WeakPolarHBondContact O-CG 3.45Å; R66-Q70 PolarHBondContact O-N 2.83Å
67R94.8Very high92.1Very high131 Ų131111.9 Ų111.949%0.49453%0.534SS..Hα-helixtrans-58.6-52.5177.2-81.5176.2169.2-172.1-5.2111.7R63 Q64 G69 Q70 E71R63-R67 VanDerWaalsContact O-CB 3.32Å; R63-R67 WeakPolarHBondContact O-CB 3.44Å; R63-R67 VanDerWaalsContact O-CG 3.28Å; R63-R67 WeakPolarHBondContact O-CG 3.28Å; R63-R67 PolarHBondContact O-N 3.31Å; Q64-R67 PolarHBondContact O-N 2.88Å; R67-G69 VanDerWaalsContact C-N 3.28Å; R67-G69 PolarHBondContact O-N 3.4Å; R67-Q70 CarbonylContact O-C 3.58Å; R67-Q70 PolarHBondContact O-N 3.16Å; R67-E71 VanDerWaalsContact O-CB 3.25Å; R67-E71 WeakPolarHBondContact O-CB 3.31Å; R67-E71 PolarHBondContact O-N 3.31Å
68Q91.4Very high92.2Very high120 Ų120117.6 Ų117.656%0.56155%0.553SS**Hα-helixtrans-56.2-41.4-179.9-73.3173-2.900112.5Q64 L72Q64-Q68 WeakPolarHBondContact O-CG 3.21Å; Q64-Q68 PolarHBondContact O-N 3.42Å; Q68-L72 WeakPolarHBondContact O-CB 3.32Å; Q68-L72 PolarHBondContact O-N 2.67Å; Q68-L72 VanDerWaalsContact O-N 3.16Å
69G90.4Very high92Very high49 Ų49120.4 Ų120.451%0.50556%0.56SS.*Hα-helixtrans-66.3-41.9174.600000113.7R65 R66 R67 S73R65-G69 PolarHBondContact O-N 2.76Å; R66-G69 PolarHBondContact O-N 3.25Å; R67-G69 VanDerWaalsContact C-N 3.28Å; R67-G69 PolarHBondContact O-N 3.4Å; G69-S73 PolarHBondContact O-N 3.43Å
70Q92.4Very high91.9Very high133 Ų133121.1 Ų121.162%0.62156%0.56SS**Hα-helixtrans-66.4-41.5176.1-73.7173.2-8.200112.1R66 R67 S73 A74R66-Q70 WeakPolarHBondContact O-CB 3.25Å; R66-Q70 WeakPolarHBondContact O-CG 3.45Å; R66-Q70 PolarHBondContact O-N 2.83Å; R67-Q70 CarbonylContact O-C 3.58Å; R67-Q70 PolarHBondContact O-N 3.16Å; Q70-S73 PolarHBondContact O-N 2.72Å; Q70-A74 VanDerWaalsContact O-CB 3.28Å; Q70-A74 WeakPolarHBondContact O-CB 3.41Å; Q70-A74 PolarHBondContact O-N 2.7Å
71E91.4Very high91.9Very high139 Ų139120.6 Ų120.665%0.6556%0.558SS**Hα-helixtrans-66.8-39.8-176.9-157.4172.4120.100111.3R67 S73 A74 A75R67-E71 VanDerWaalsContact O-CB 3.25Å; R67-E71 WeakPolarHBondContact O-CB 3.31Å; R67-E71 PolarHBondContact O-N 3.31Å; E71-S73 VanDerWaalsContact C-N 3.34Å; E71-S73 PolarHBondContact O-N 3.05Å; E71-A74 PolarHBondContact O-N 2.98Å; E71-A75 WeakPolarHBondContact O-CB 3.28Å; E71-A75 PolarHBondContact O-N 2.99Å
72L85.1Confident91.9Very high109 Ų109114.6 Ų114.657%0.57154%0.539SS*.Hα-helixtrans-68.6-32.9176.5-151.6145.6000112.4Q68 R76Q68-L72 WeakPolarHBondContact O-CB 3.32Å; Q68-L72 PolarHBondContact O-N 2.67Å; Q68-L72 VanDerWaalsContact O-N 3.16Å; L72-R76 WeakPolarHBondContact O-CG 3.31Å; L72-R76 PolarHBondContact O-N 3.44Å
73S87.3Confident91.9Very high66 Ų66116.9 Ų116.946%0.46255%0.55SS..Hα-helixtrans-72.5-47.7172.1-167.30000111.9G69 Q70 E71 A75 R76 Q77G69-S73 PolarHBondContact O-N 3.43Å; Q70-S73 PolarHBondContact O-N 2.72Å; E71-S73 VanDerWaalsContact C-N 3.34Å; E71-S73 PolarHBondContact O-N 3.05Å; S73-A75 VanDerWaalsContact C-N 3.33Å; S73-A75 PolarHBondContact O-N 2.89Å; S73-R76 PolarHBondContact O-N 2.87Å; S73-Q77 PolarHBondContact O-N 3.41Å
74A95.6Very high91.6Very high46 Ų46116.4 Ų116.438%0.3856%0.555SS.*Hα-helixtrans-64.2-35.2179.400000112.5Q70 E71 Q77 R78Q70-A74 VanDerWaalsContact O-CB 3.28Å; Q70-A74 WeakPolarHBondContact O-CB 3.41Å; Q70-A74 PolarHBondContact O-N 2.7Å; E71-A74 PolarHBondContact O-N 2.98Å; A74-Q77 PolarHBondContact O-N 3.43Å; A74-R78 WeakPolarHBondContact O-CB 3.32Å; A74-R78 PolarHBondContact O-N 3.01Å
75A92.9Very high91.7Very high49 Ų49116.9 Ų116.941%0.40555%0.552SS.*Hα-helixtrans-63.2-43.5173.700000111.9E71 S73 R78 L79E71-A75 WeakPolarHBondContact O-CB 3.28Å; E71-A75 PolarHBondContact O-N 2.99Å; S73-A75 VanDerWaalsContact C-N 3.33Å; S73-A75 PolarHBondContact O-N 2.89Å; A75-R78 PolarHBondContact O-N 3.2Å; A75-L79 WeakPolarHBondContact O-CG 3.46Å; A75-L79 PolarHBondContact O-N 2.82Å; A75-L79 VanDerWaalsContact O-N 3.09Å
76R90.4Very high91.7Very high172 Ų172115.8 Ų115.865%0.64955%0.548SS*.Hα-helixtrans-63.6-44174.9-74.1177.7173.3-176.2-2112L72 S73 L79 Q80L72-R76 WeakPolarHBondContact O-CG 3.31Å; L72-R76 PolarHBondContact O-N 3.44Å; S73-R76 PolarHBondContact O-N 2.87Å; R76-L79 PolarHBondContact O-N 3.3Å; R76-Q80 PolarHBondContact O-N 3.43Å
77Q93.9Very high91.8Very high124 Ų124111.9 Ų111.958%0.57954%0.544SS*.Hα-helixtrans-63.1-43.9176.3-73.8-177.8-30.100112S73 A74 L79 Q80 E81S73-Q77 PolarHBondContact O-N 3.41Å; A74-Q77 PolarHBondContact O-N 3.43Å; Q77-L79 VanDerWaalsContact C-N 3.35Å; Q77-L79 PolarHBondContact O-N 3.09Å; Q77-Q80 PolarHBondContact O-N 3.2Å; Q77-E81 WeakPolarHBondContact O-CB 3.4Å; Q77-E81 PolarHBondContact O-N 3.36Å
78R94.6Very high91.6Very high189 Ų189108.5 Ų108.571%0.71354%0.544SS*.Hα-helixtrans-59.4-41.7176.2-94.3-170.3166.4-128.9-0.8113.1A74 A75 E81 D82A74-R78 WeakPolarHBondContact O-CB 3.32Å; A74-R78 PolarHBondContact O-N 3.01Å; A75-R78 PolarHBondContact O-N 3.2Å; R78-E81 PolarHBondContact O-N 3.47Å; R78-D82 VanDerWaalsContact O-CB 3.31Å; R78-D82 WeakPolarHBondContact O-CB 3.48Å; R78-D82 PolarHBondContact O-N 3.41Å
79L90.8Very high91.7Very high115 Ų115109.4 Ų109.460%0.60255%0.548SS*.Hα-helixtrans-62.2-47.6177.2-72.3168.3000111.2A75 R76 Q77 E81 D82 E83A75-L79 WeakPolarHBondContact O-CG 3.46Å; A75-L79 PolarHBondContact O-N 2.82Å; A75-L79 VanDerWaalsContact O-N 3.09Å; R76-L79 PolarHBondContact O-N 3.3Å; Q77-L79 VanDerWaalsContact C-N 3.35Å; Q77-L79 PolarHBondContact O-N 3.09Å; L79-E81 PolarHBondContact O-N 2.78Å; L79-D82 PolarHBondContact O-N 2.85Å; L79-E83 WeakPolarHBondContact O-CG 3.49Å; L79-E83 PolarHBondContact O-N 3.13Å
80Q91.2Very high91.8Very high124 Ų124113.1 Ų113.158%0.57955%0.552SS**Hα-helixtrans-63-39.3177.2-69.6179.7-12.400112.8R76 Q77 M84R76-Q80 PolarHBondContact O-N 3.43Å; Q77-Q80 PolarHBondContact O-N 3.2Å; Q80-M84 WeakPolarHBondContact O-CB 3.46Å; Q80-M84 WeakPolarHBondContact O-CG 3.36Å; Q80-M84 PolarHBondContact O-N 3.07Å
81E92.4Very high91.8Very high123 Ų123115 Ų11558%0.57555%0.554SS**Hα-helixtrans-70.4-39178-163.5-175.6111.500111.9Q77 R78 L79 M84 R85Q77-E81 WeakPolarHBondContact O-CB 3.4Å; Q77-E81 PolarHBondContact O-N 3.36Å; R78-E81 PolarHBondContact O-N 3.47Å; L79-E81 PolarHBondContact O-N 2.78Å; E81-M84 PolarHBondContact O-N 3.38Å; E81-R85 VanDerWaalsContact O-CB 3.24Å; E81-R85 WeakPolarHBondContact O-CB 3.48Å; E81-R85 PolarHBondContact O-N 2.89Å
82D91.8Very high91.9Very high51 Ų51118 Ų11827%0.27356%0.559SS.*Hα-helixtrans-64.4-42.1173.5-89.715.6000112R78 L79 R85 R86R78-D82 VanDerWaalsContact O-CB 3.31Å; R78-D82 WeakPolarHBondContact O-CB 3.48Å; R78-D82 PolarHBondContact O-N 3.41Å; L79-D82 PolarHBondContact O-N 2.85Å; D82-R85 VanDerWaalsContact CG-NH2 3.33Å; D82-R85 PolarHBondContact O-N 2.96Å; D82-R85 IonicContact OD1-CZ 3.99Å; D82-R85 IonicContact OD1-NH1 3.11Å; D82-R85 PolarHBondContact OD1-NH1 3.32Å; D82-R85 IonicContact OD1-NH2 2.78Å; D82-R85 PolarHBondContact OD1-NH2 2.99Å; D82-R85 IonicContact OD2-NH2 2.63Å; D82-R86 VanDerWaalsContact O-CG 3.31Å; D82-R86 WeakPolarHBondContact O-CG 3.24Å; D82-R86 PolarHBondContact O-N 3.41Å
83E92.9Very high92.3Very high136 Ų136120.8 Ų120.864%0.63656%0.562SS**Hα-helixtrans-62.8-48.5174.2-75.4-172.9109.600111.7L79 R85 R86 A87L79-E83 WeakPolarHBondContact O-CG 3.49Å; L79-E83 PolarHBondContact O-N 3.13Å; E83-R85 VanDerWaalsContact C-N 3.32Å; E83-R85 PolarHBondContact O-N 2.97Å; E83-R86 PolarHBondContact O-N 3.43Å; E83-A87 WeakPolarHBondContact O-CB 3.28Å; E83-A87 PolarHBondContact O-N 3.5Å
84M89.4Confident92.4Very high134 Ų134123.9 Ų123.966%0.6657%0.569SS**Hα-helixtrans-62.4-38.1176.3-76-162.6-67.300112.5Q80 E81 A88Q80-M84 WeakPolarHBondContact O-CB 3.46Å; Q80-M84 WeakPolarHBondContact O-CG 3.36Å; Q80-M84 PolarHBondContact O-N 3.07Å; E81-M84 PolarHBondContact O-N 3.38Å; M84-A88 VanDerWaalsContact O-CB 3.29Å; M84-A88 WeakPolarHBondContact O-CB 3.46Å; M84-A88 PolarHBondContact O-N 2.99Å
85R92.8Very high92.2Very high123 Ų123128 Ų12846%0.46458%0.578SS.*Hα-helixtrans-64.6-44177-172.8172.270.8-105-3.1111.4E81 D82 E83 A88 E89E81-R85 VanDerWaalsContact O-CB 3.24Å; E81-R85 WeakPolarHBondContact O-CB 3.48Å; E81-R85 PolarHBondContact O-N 2.89Å; D82-R85 VanDerWaalsContact CG-NH2 3.33Å; D82-R85 PolarHBondContact O-N 2.96Å; D82-R85 IonicContact OD1-CZ 3.99Å; D82-R85 IonicContact OD1-NH1 3.11Å; D82-R85 PolarHBondContact OD1-NH1 3.32Å; D82-R85 IonicContact OD1-NH2 2.78Å; D82-R85 PolarHBondContact OD1-NH2 2.99Å; D82-R85 IonicContact OD2-NH2 2.63Å; E83-R85 VanDerWaalsContact C-N 3.32Å; E83-R85 PolarHBondContact O-N 2.97Å; R85-A88 PolarHBondContact O-N 3.28Å; R85-E89 PolarHBondContact O-N 2.95Å
86R94.4Very high92.2Very high167 Ų167128.4 Ų128.463%0.6358%0.581SS**Hα-helixtrans-63-48.8175.9-72.1174.5-173.4-157.23.6111.6D82 E83 A88 E89 E90D82-R86 VanDerWaalsContact O-CG 3.31Å; D82-R86 WeakPolarHBondContact O-CG 3.24Å; D82-R86 PolarHBondContact O-N 3.41Å; E83-R86 PolarHBondContact O-N 3.43Å; R86-A88 VanDerWaalsContact C-N 3.26Å; R86-A88 PolarHBondContact O-N 2.85Å; R86-E89 PolarHBondContact O-N 3.35Å; R86-E90 PolarHBondContact O-N 3.29Å
87A91.9Very high92.3Very high49 Ų49125.3 Ų125.341%0.40557%0.574SS.*Hα-helixtrans-61.7-32.8177.600000113.1E83 R91E83-A87 WeakPolarHBondContact O-CB 3.28Å; E83-A87 PolarHBondContact O-N 3.5Å; A87-R91 WeakPolarHBondContact O-CB 3.45Å; A87-R91 WeakPolarHBondContact O-CG 3.47Å; A87-R91 PolarHBondContact O-N 3.41Å; A87-R91 VanDerWaalsContact O-N 3.14Å
88A91.6Very high92.1Very high60 Ų60125.2 Ų125.250%0.49657%0.574SS.*Hα-helixtrans-71.8-38.1173.300000112.6M84 R85 R86 R92M84-A88 VanDerWaalsContact O-CB 3.29Å; M84-A88 WeakPolarHBondContact O-CB 3.46Å; M84-A88 PolarHBondContact O-N 2.99Å; R85-A88 PolarHBondContact O-N 3.28Å; R86-A88 VanDerWaalsContact C-N 3.26Å; R86-A88 PolarHBondContact O-N 2.85Å; A88-R92 WeakPolarHBondContact O-CB 3.49Å; A88-R92 PolarHBondContact O-N 3.23Å
89E93.6Very high92Very high139 Ų139120.7 Ų120.765%0.6556%0.563SS**Hα-helixtrans-66.9-46.4176-170.3174.1116.700111.7R85 R86 R92 R93R85-E89 PolarHBondContact O-N 2.95Å; R86-E89 PolarHBondContact O-N 3.35Å; E89-R92 WeakPolarHBondContact O-CB 3.41Å; E89-R92 PolarHBondContact O-N 2.9Å; E89-R92 VanDerWaalsContact O-N 3.13Å; E89-R93 WeakPolarHBondContact O-CB 3.48Å; E89-R93 PolarHBondContact O-N 3.45Å
90E91.6Very high92.2Very high127 Ų127116.8 Ų116.859%0.59355%0.548SS*.Hα-helixtrans-59.1-49.8174.9-72.5-175.5102.300111.1R86 R92 R93 E94R86-E90 PolarHBondContact O-N 3.29Å; E90-R92 PolarHBondContact O-N 2.86Å; E90-R93 CarbonylContact O-C 3.6Å; E90-R93 WeakPolarHBondContact O-CA 3.35Å; E90-R93 WeakPolarHBondContact O-CB 3.37Å; E90-R93 PolarHBondContact O-N 2.95Å; E90-E94 WeakPolarHBondContact O-CG 3.38Å; E90-E94 PolarHBondContact O-N 3.27Å
91R92.9Very high92.3Very high174 Ų174113.2 Ų113.266%0.65754%0.539SS*.Hα-helixtrans-59.1-32.4174.9-80.1-179.2170.8-1740.9113.8A87 K95A87-R91 WeakPolarHBondContact O-CB 3.45Å; A87-R91 WeakPolarHBondContact O-CG 3.47Å; A87-R91 PolarHBondContact O-N 3.41Å; A87-R91 VanDerWaalsContact O-N 3.14Å; R91-K95 WeakPolarHBondContact O-CB 3.36Å; R91-K95 WeakPolarHBondContact O-CD 3.43Å; R91-K95 WeakPolarHBondContact O-CG 3.34Å; R91-K95 PolarHBondContact O-N 2.87Å
92R92.8Very high92.4Very high202 Ų202116 Ų11676%0.76255%0.545SS*.Hα-helixtrans-72.6-39.9175.6-176.5-178.3177.1-158.8-1.1110.8A88 E89 E90 A96A88-R92 WeakPolarHBondContact O-CB 3.49Å; A88-R92 PolarHBondContact O-N 3.23Å; E89-R92 WeakPolarHBondContact O-CB 3.41Å; E89-R92 PolarHBondContact O-N 2.9Å; E89-R92 VanDerWaalsContact O-N 3.13Å; E90-R92 PolarHBondContact O-N 2.86Å; R92-A96 WeakPolarHBondContact O-CB 3.18Å; R92-A96 PolarHBondContact O-N 3.01Å
93R93.9Very high92.5Very high167 Ų167119.9 Ų119.963%0.6356%0.561SS**Hα-helixtrans-67.9-50.8178.5-178.4178.2169.7-179.5-3111.6E89 E90 K95 A96 E97E89-R93 WeakPolarHBondContact O-CB 3.48Å; E89-R93 PolarHBondContact O-N 3.45Å; E90-R93 CarbonylContact O-C 3.6Å; E90-R93 WeakPolarHBondContact O-CA 3.35Å; E90-R93 WeakPolarHBondContact O-CB 3.37Å; E90-R93 PolarHBondContact O-N 2.95Å; R93-K95 VanDerWaalsContact C-N 3.31Å; R93-K95 PolarHBondContact O-N 3.42Å; R93-A96 WeakPolarHBondContact O-CA 3.36Å; R93-A96 WeakPolarHBondContact O-CB 3.41Å; R93-A96 PolarHBondContact O-N 3.06Å; R93-E97 VanDerWaalsContact CG-OE2 3.28Å; R93-E97 WeakPolarHBondContact CG-OE2 3.45Å; R93-E97 IonicContact CZ-OE2 2.75Å; R93-E97 IonicContact NE-OE2 2.76Å; R93-E97 PolarHBondContact NE-OE2 3.2Å; R93-E97 IonicContact NH2-OE2 3.01Å; R93-E97 PolarHBondContact NH2-OE2 2.8Å; R93-E97 WeakPolarHBondContact O-CG 3.29Å; R93-E97 PolarHBondContact O-N 2.79Å
94E88.8Confident92.5Very high130 Ų130122 Ų12261%0.60756%0.563SS**Hα-helixtrans-54.7-45.8175-71.6-177.2106.700111.7E90 A96 E97 E98E90-E94 WeakPolarHBondContact O-CG 3.38Å; E90-E94 PolarHBondContact O-N 3.27Å; E94-A96 VanDerWaalsContact C-N 3.33Å; E94-A96 PolarHBondContact O-N 3.34Å; E94-E97 PolarHBondContact O-N 3.03Å; E94-E98 WeakPolarHBondContact O-CB 3.49Å; E94-E98 PolarHBondContact O-N 3.02Å
95K92.4Very high92.7Very high133 Ų133119.6 Ų119.658%0.57856%0.556SS**Hα-helixtrans-62.2-38.2175.2-74.6173.8-176.7-178.20112.8R91 R93 L99R91-K95 WeakPolarHBondContact O-CB 3.36Å; R91-K95 WeakPolarHBondContact O-CD 3.43Å; R91-K95 WeakPolarHBondContact O-CG 3.34Å; R91-K95 PolarHBondContact O-N 2.87Å; R93-K95 VanDerWaalsContact C-N 3.31Å; R93-K95 PolarHBondContact O-N 3.42Å; K95-L99 WeakPolarHBondContact O-CB 3.35Å; K95-L99 WeakPolarHBondContact O-CD1 3.44Å; K95-L99 WeakPolarHBondContact O-CG 3.39Å; K95-L99 PolarHBondContact O-N 3.14Å
96A92.8Very high92.6Very high57 Ų57122.6 Ų122.647%0.47157%0.567SS.*Hα-helixtrans-67.9-40.6176.300000111.8R92 R93 E94 A100R92-A96 WeakPolarHBondContact O-CB 3.18Å; R92-A96 PolarHBondContact O-N 3.01Å; R93-A96 WeakPolarHBondContact O-CA 3.36Å; R93-A96 WeakPolarHBondContact O-CB 3.41Å; R93-A96 PolarHBondContact O-N 3.06Å; E94-A96 VanDerWaalsContact C-N 3.33Å; E94-A96 PolarHBondContact O-N 3.34Å; A96-A100 WeakPolarHBondContact O-CB 3.48Å; A96-A100 PolarHBondContact O-N 3.31Å
97E92Very high92.5Very high107 Ų107121.3 Ų121.350%0.557%0.569SS.*Hα-helixtrans-70.6-37.8177.4-65.2-168.46300111.8R93 E94 A100 A101R93-E97 VanDerWaalsContact CG-OE2 3.28Å; R93-E97 WeakPolarHBondContact CG-OE2 3.45Å; R93-E97 IonicContact CZ-OE2 2.75Å; R93-E97 IonicContact NE-OE2 2.76Å; R93-E97 PolarHBondContact NE-OE2 3.2Å; R93-E97 IonicContact NH2-OE2 3.01Å; R93-E97 PolarHBondContact NH2-OE2 2.8Å; R93-E97 WeakPolarHBondContact O-CG 3.29Å; R93-E97 PolarHBondContact O-N 2.79Å; E94-E97 PolarHBondContact O-N 3.03Å; E97-A100 PolarHBondContact O-N 3.22Å; E97-A101 WeakPolarHBondContact O-CB 3.49Å; E97-A101 PolarHBondContact O-N 3.1Å
98E90.7Very high92.4Very high123 Ų123126.5 Ų126.558%0.57558%0.582SS**Hα-helixtrans-61.6-48.4171.1-171.4-155.594.700111.4E94 A100 A101 R102E94-E98 WeakPolarHBondContact O-CB 3.49Å; E94-E98 PolarHBondContact O-N 3.02Å; E98-A100 VanDerWaalsContact C-N 3.34Å; E98-A100 PolarHBondContact O-N 2.86Å; E98-A101 PolarHBondContact O-N 3.4Å; E98-R102 WeakPolarHBondContact O-CB 3.44Å; E98-R102 PolarHBondContact O-N 2.92Å
99L92.6Very high91.9Very high93 Ų93128.6 Ų128.649%0.48758%0.584SS.*Hα-helixtrans-61.6-42.1177.7-74.6168.4000111.4K95 R102 Q103K95-L99 WeakPolarHBondContact O-CB 3.35Å; K95-L99 WeakPolarHBondContact O-CD1 3.44Å; K95-L99 WeakPolarHBondContact O-CG 3.39Å; K95-L99 PolarHBondContact O-N 3.14Å; L99-R102 PolarHBondContact O-N 2.95Å; L99-Q103 WeakPolarHBondContact O-CB 3.38Å; L99-Q103 VanDerWaalsContact O-CG 3.28Å; L99-Q103 WeakPolarHBondContact O-CG 3.46Å; L99-Q103 PolarHBondContact O-N 3.17Å
100A94.8Very high91.6Very high34 Ų34128.1 Ų128.128%0.28158%0.582SS.*Hα-helixtrans-65-40.2175.400000112.3A96 E97 E98 Q103 R104A96-A100 WeakPolarHBondContact O-CB 3.48Å; A96-A100 PolarHBondContact O-N 3.31Å; E97-A100 PolarHBondContact O-N 3.22Å; E98-A100 VanDerWaalsContact C-N 3.34Å; E98-A100 PolarHBondContact O-N 2.86Å; A100-Q103 PolarHBondContact O-N 3Å; A100-R104 WeakPolarHBondContact O-CG 3.44Å; A100-R104 PolarHBondContact O-N 2.68Å
101A92.8Very high91.3Very high48 Ų48131.4 Ų131.440%0.39759%0.588SS.*Hα-helixtrans-63.8-45.1174.100000111.5E97 E98 Q103 R104 V105E97-A101 WeakPolarHBondContact O-CB 3.49Å; E97-A101 PolarHBondContact O-N 3.1Å; E98-A101 PolarHBondContact O-N 3.4Å; A101-Q103 VanDerWaalsContact C-N 3.33Å; A101-Q103 PolarHBondContact O-N 2.97Å; A101-R104 PolarHBondContact O-N 2.79Å; A101-V105 WeakPolarHBondContact O-CG2 3.27Å; A101-V105 PolarHBondContact O-N 3.37Å
102R93.2Very high91Very high181 Ų181126.9 Ų126.968%0.68358%0.577SS**Hα-helixtrans-62.7-37.5176.8-170.6175.4179.5-174.1-0.2112.2E98 L99 R106E98-R102 WeakPolarHBondContact O-CB 3.44Å; E98-R102 PolarHBondContact O-N 2.92Å; L99-R102 PolarHBondContact O-N 2.95Å; R102-R106 WeakPolarHBondContact O-CB 3.44Å; R102-R106 PolarHBondContact O-N 3.31Å
103Q94.1Very high90.6Very high133 Ų133124.4 Ų124.462%0.62157%0.572SS**Hα-helixtrans-64.2-48171.9-75173.210.500111.7L99 A100 A101 V105 R106 E107L99-Q103 WeakPolarHBondContact O-CB 3.38Å; L99-Q103 VanDerWaalsContact O-CG 3.28Å; L99-Q103 WeakPolarHBondContact O-CG 3.46Å; L99-Q103 PolarHBondContact O-N 3.17Å; A100-Q103 PolarHBondContact O-N 3Å; A101-Q103 VanDerWaalsContact C-N 3.33Å; A101-Q103 PolarHBondContact O-N 2.97Å; Q103-V105 VanDerWaalsContact C-N 3.3Å; Q103-V105 PolarHBondContact O-N 2.75Å; Q103-R106 WeakPolarHBondContact O-CB 3.07Å; Q103-R106 PolarHBondContact O-N 3.36Å; Q103-R106 VanDerWaalsContact O-N 3.12Å; Q103-E107 PolarHBondContact O-N 2.76Å
104R93.7Very high90Very high180 Ų180118.9 Ų118.968%0.67956%0.562SS**Hα-helixtrans-59.2-37.9176.2-72.8171.4179.2158.10.6113A100 A101 K108A100-R104 WeakPolarHBondContact O-CG 3.44Å; A100-R104 PolarHBondContact O-N 2.68Å; A101-R104 PolarHBondContact O-N 2.79Å; R104-K108 WeakPolarHBondContact O-CG 3.36Å; R104-K108 PolarHBondContact O-N 3.4Å; R104-K108 VanDerWaalsContact O-N 3.16Å
105V94.6Very high89.6Confident84 Ų84117.3 Ų117.351%0.50956%0.555SS.*Hα-helixtrans-67.4-44.3174.2172.10000110.9A101 Q103 E107 K108 I109A101-V105 WeakPolarHBondContact O-CG2 3.27Å; A101-V105 PolarHBondContact O-N 3.37Å; Q103-V105 VanDerWaalsContact C-N 3.3Å; Q103-V105 PolarHBondContact O-N 2.75Å; V105-E107 PolarHBondContact O-N 3.02Å; V105-K108 PolarHBondContact O-N 3.2Å; V105-I109 HydrophobicContact CG1-CD1 3.87Å; V105-I109 HydrophobicContact CG1-CG1 4.5Å; V105-I109 WeakPolarHBondContact O-CG1 3.37Å; V105-I109 PolarHBondContact O-N 3.47Å
106R90.1Very high88.7Confident186 Ų186117.4 Ų117.470%0.70255%0.551SS**Hα-helixtrans-59.4-46.1177.4-176.3178.1178.9167.91.5112R102 Q103 I109 E110R102-R106 WeakPolarHBondContact O-CB 3.44Å; R102-R106 PolarHBondContact O-N 3.31Å; Q103-R106 WeakPolarHBondContact O-CB 3.07Å; Q103-R106 PolarHBondContact O-N 3.36Å; Q103-R106 VanDerWaalsContact O-N 3.12Å; R106-I109 PolarHBondContact O-N 2.67Å; R106-E110 WeakPolarHBondContact O-CB 3.46Å; R106-E110 PolarHBondContact O-N 2.9Å
107E91.5Very high88Confident141 Ų141117.7 Ų117.766%0.65955%0.554SS**Hα-helixtrans-63.9-40.3178.6-168-17499.700112Q103 V105 E110 R111Q103-E107 PolarHBondContact O-N 2.76Å; V105-E107 PolarHBondContact O-N 3.02Å; E107-E110 PolarHBondContact O-N 3.38Å; E107-R111 WeakPolarHBondContact O-CB 3.47Å; E107-R111 PolarHBondContact O-N 2.93Å
108K89.3Confident86.9Confident157 Ų157121.6 Ų121.668%0.68357%0.569SS**Hα-helixtrans-61.2-44.1172.8-77.1-178.8178.3-173.60112.4R104 V105 R111 D112R104-K108 WeakPolarHBondContact O-CG 3.36Å; R104-K108 PolarHBondContact O-N 3.4Å; R104-K108 VanDerWaalsContact O-N 3.16Å; V105-K108 PolarHBondContact O-N 3.2Å; K108-R111 PolarHBondContact O-N 3.34Å; K108-D112 WeakPolarHBondContact O-CB 3.42Å; K108-D112 PolarHBondContact O-N 3.32Å
109I82.6Confident85.7Confident105 Ų105123.1 Ų123.154%0.53857%0.574SS.*Hα-helixtrans-65-41176.9-68.7170.4000110.7V105 R106 K113V105-I109 HydrophobicContact CG1-CD1 3.87Å; V105-I109 HydrophobicContact CG1-CG1 4.5Å; V105-I109 WeakPolarHBondContact O-CG1 3.37Å; V105-I109 PolarHBondContact O-N 3.47Å; R106-I109 PolarHBondContact O-N 2.67Å; I109-K113 WeakPolarHBondContact O-CB 3.28Å; I109-K113 PolarHBondContact O-N 2.91Å
110E86.7Confident84Confident128 Ų128127.6 Ų127.660%0.59859%0.586SS**Hα-helixtrans-64.9-42.3177.7-174.5164.7-176.700111.9R106 E107 K113 A114R106-E110 WeakPolarHBondContact O-CB 3.46Å; R106-E110 PolarHBondContact O-N 2.9Å; E107-E110 PolarHBondContact O-N 3.38Å; E110-K113 PolarHBondContact O-N 3.34Å; E110-A114 VanDerWaalsContact O-CB 3.25Å; E110-A114 WeakPolarHBondContact O-CB 3.32Å; E110-A114 PolarHBondContact O-N 2.94Å
111R86.3Confident82Confident196 Ų196129.4 Ų129.474%0.7461%0.608SS**Hα-helixtrans-63.2-48.1175.1-172.5176.5179.9124.70.2112.5E107 K108 A114 E115E107-R111 WeakPolarHBondContact O-CB 3.47Å; E107-R111 PolarHBondContact O-N 2.93Å; K108-R111 PolarHBondContact O-N 3.34Å; R111-A114 PolarHBondContact O-N 3.16Å; R111-E115 PolarHBondContact O-N 2.99Å
112D86.3Confident79.9Confident79 Ų79130.7 Ų130.742%0.42263%0.626SS.*Hα-helixtrans-64.9-40.3176.8178.5-101.9000111.8K108 E115 R116K108-D112 WeakPolarHBondContact O-CB 3.42Å; K108-D112 PolarHBondContact O-N 3.32Å; D112-E115 PolarHBondContact O-N 3.12Å; D112-R116 WeakPolarHBondContact O-CB 3.43Å; D112-R116 PolarHBondContact O-N 3Å; D112-R116 IonicContact OD1-CZ 3.18Å; D112-R116 IonicContact OD1-NH1 2.68Å; D112-R116 PolarHBondContact OD1-NH1 3.48Å; D112-R116 IonicContact OD1-NH2 3.21Å; D112-R116 PolarHBondContact OD1-NH2 3.44Å; D112-R116 IonicContact OD2-NH2 3.71Å; D112-R116 PolarHBondContact OD2-NH2 3.42Å
113K84.5Confident77.1Confident151 Ų151126.8 Ų126.866%0.65763%0.626SS**Hα-helixtrans-63.7-41.7174.7-174.2179-178.8-176.70111.8I109 E110 A117I109-K113 WeakPolarHBondContact O-CB 3.28Å; I109-K113 PolarHBondContact O-N 2.91Å; E110-K113 PolarHBondContact O-N 3.34Å; K113-A117 VanDerWaalsContact O-CB 3.22Å; K113-A117 WeakPolarHBondContact O-CB 3.34Å; K113-A117 PolarHBondContact O-N 3.38Å
114A81.1Confident74.5Confident50 Ų50127.3 Ų127.341%0.41364%0.638SS.*Hα-helixtrans-68.7-38.3176.900000112.3E110 R111 K118E110-A114 VanDerWaalsContact O-CB 3.25Å; E110-A114 WeakPolarHBondContact O-CB 3.32Å; E110-A114 PolarHBondContact O-N 2.94Å; R111-A114 PolarHBondContact O-N 3.16Å; A114-K118 WeakPolarHBondContact O-CG 3.42Å; A114-K118 PolarHBondContact O-N 3.22Å; A114-K118 VanDerWaalsContact O-N 3.11Å
115E79Confident71.7Confident98 Ų98121.7 Ų121.746%0.45864%0.636SS.*Hα-helixtrans-68.4-45.1174.7-163.7-174131.400111.5R111 D112 A117 K118 K119R111-E115 PolarHBondContact O-N 2.99Å; D112-E115 PolarHBondContact O-N 3.12Å; E115-A117 PolarHBondContact O-N 3.43Å; E115-K118 PolarHBondContact O-N 2.99Å; E115-K119 HydrophobicContact CG-CD 4.37Å; E115-K119 PolarHBondContact O-N 3.44Å; E115-K119 WeakPolarHBondContact OE1-CE 3.17Å; E115-K119 IonicContact OE1-NZ 2.65Å; E115-K119 PolarHBondContact OE1-NZ 2.9Å
116R74.2Confident68.9Low134 Ų134123.8 Ų123.851%0.50665%0.654SS.*Hα-helixtrans-62.3-42.1175.4-170.6176.8-6496.612.5111.5D112 K118 K119 Y120D112-R116 WeakPolarHBondContact O-CB 3.43Å; D112-R116 PolarHBondContact O-N 3Å; D112-R116 IonicContact OD1-CZ 3.18Å; D112-R116 IonicContact OD1-NH1 2.68Å; D112-R116 PolarHBondContact OD1-NH1 3.48Å; D112-R116 IonicContact OD1-NH2 3.21Å; D112-R116 PolarHBondContact OD1-NH2 3.44Å; D112-R116 IonicContact OD2-NH2 3.71Å; D112-R116 PolarHBondContact OD2-NH2 3.42Å; R116-K118 VanDerWaalsContact C-N 3.29Å; R116-K118 PolarHBondContact O-N 3.08Å; R116-K119 PolarHBondContact O-N 2.97Å; R116-Y120 WeakPolarHBondContact O-CB 3.13Å; R116-Y120 PolarHBondContact O-N 3.33Å
117A77.4Confident66.1Low63 Ų63123.6 Ų123.652%0.52166%0.661SS.*Hα-helixtrans-60.2-38.7175.300000112.3K113 E115 G121K113-A117 VanDerWaalsContact O-CB 3.22Å; K113-A117 WeakPolarHBondContact O-CB 3.34Å; K113-A117 PolarHBondContact O-N 3.38Å; E115-A117 PolarHBondContact O-N 3.43Å; A117-G121 WeakPolarHBondContact O-CA 3.5Å; A117-G121 PolarHBondContact O-N 2.82Å
118K70.6Confident63.4Low190 Ų190122 Ų12283%0.82666%0.663SS**Hα-helixtrans-72.3-32175.6-73.8177.4177.3-177.20113.8A114 E115 R116A114-K118 WeakPolarHBondContact O-CG 3.42Å; A114-K118 PolarHBondContact O-N 3.22Å; A114-K118 VanDerWaalsContact O-N 3.11Å; E115-K118 PolarHBondContact O-N 2.99Å; R116-K118 VanDerWaalsContact C-N 3.29Å; R116-K118 PolarHBondContact O-N 3.08Å
119K64.6Low61.8Low154 Ų154120.1 Ų120.167%0.6767%0.667SS**Hα-helixtrans-86.3-32179.2-79.2178.5173.6168.40114.6E115 R116E115-K119 HydrophobicContact CG-CD 4.37Å; E115-K119 PolarHBondContact O-N 3.44Å; E115-K119 WeakPolarHBondContact OE1-CE 3.17Å; E115-K119 IonicContact OE1-NZ 2.65Å; E115-K119 PolarHBondContact OE1-NZ 2.9Å; R116-K119 PolarHBondContact O-N 2.97Å
120Y57.3Low59.8Low188 Ų188120.9 Ų120.974%0.73768%0.679SS**Hα-helixtrans-111.4-0.5-174.8-96.6-93.8000114.4R116 G122R116-Y120 WeakPolarHBondContact O-CB 3.13Å; R116-Y120 PolarHBondContact O-N 3.33Å; Y120-G122 PolarHBondContact O-N 3.11Å
121G52.3Low57.2Low72 Ų72121.5 Ų121.574%0.74269%0.691SS**THydrogen-bonded Turntrans-68.723.1178.400000115.9A117A117-G121 WeakPolarHBondContact O-CA 3.5Å; A117-G121 PolarHBondContact O-N 2.82Å
122G49.2Very low55Low75 Ų75116.4 Ų116.477%0.77369%0.691SS**THydrogen-bonded Turntrans-160.948.3-17100000115.6Y120Y120-G122 PolarHBondContact O-N 3.11Å
123S33.8Very low52.8Low99 Ų99118.8 Ų118.869%0.69271%0.71SS**SBendtrans-165.5112.3158.7-170.80000113.1
124V39.3Very low50.5Low144 Ų144120.3 Ų120.387%0.87372%0.72SS**  trans53.7137.4153.5-1710000118.4
125G35.6Very low49.1Very low62 Ų62123.9 Ų123.964%0.63974%0.739SS**  cis144.31131.400000111.4
126S34.5Very low46.9Very low127 Ų127122.7 Ų122.789%0.88875%0.753SS**  trans38.3123.8163.1-61.60000122.6
127Q31.3Very low45.6Very low182 Ų182121.9 Ų121.985%0.8577%0.765SS**  173.9133107.7-178.8171.1-5.100113.6
128P36.3Very low43.7Very low107 Ų107125.5 Ų125.570%0.69578%0.78SS**  trans-122.9-170.715541.8-29.7000111.3
129P55.9Low42.6Very low118 Ų118121.8 Ų121.877%0.76678%0.775SS**  -120.3174.7-77.540.1-26.4000113.6
130P39.7Very low41.5Very low121 Ų121120.5 Ų120.579%0.78679%0.786SS**  trans-137.2148.8157.836.9-22.5000113
131V32.8Very low40.7Very low142 Ų142116.7 Ų116.786%0.86179%0.787SS**  cis-148.3170.9-10.1-158.90000107.2
132A39.2Very low40.5Very low88 Ų88119 Ų11973%0.72779%0.789SS**  trans-130149162.900000111.4
133P40.8Very low39.9Very low129 Ų129120.8 Ų120.884%0.83879%0.79SS**  trans-140.6138.2134.635.1-20.8000115.3
134E36.5Very low40.4Very low184 Ų184124.9 Ų124.986%0.8680%0.798SS**  trans-77.9-176.4156.6-80.6-173.592.200111.3
135P51.3Low40.5Very low124 Ų124126.2 Ų126.281%0.80579%0.794SS**  cis-129175.3-28.425.1-4.1000113.2
136G31.7Very low41Very low73 Ų73128.3 Ų128.375%0.75380%0.797SS**  trans-166.9134.7167.300000112.6
137P47.3Very low41.6Very low118 Ų118128.2 Ų128.277%0.76679%0.793SS**  trans-106.9155.9-162.839.3-34.7000116.6
138V38.1Very low42.5Very low138 Ų138124.3 Ų124.384%0.83678%0.782SS**  trans61.7156.3161.4-57.60000120.4
139P46.8Very low43.4Very low112 Ų112128.6 Ų128.673%0.72779%0.79SS**  cis-125.7161.6-18.824.6-3.5000115
140S42.9Very low43.9Very low127 Ų127131.5 Ų131.589%0.88879%0.785SS**  trans13106.8151.3-540000120
141S38.8Very low45.4Very low108 Ų108134.9 Ų134.976%0.75579%0.79SS**  trans-135.4130.2139.9-164.80000107.6S143S141-S143 PolarHBondContact O-N 3.17Å
142P48.7Very low47.6Very low121 Ų121133.7 Ų133.779%0.78677%0.771SS**  trans-70.196.4-178.628.2-32.8000109.5Q144P142-Q144 PolarHBondContact O-N 2.97Å
143S37.2Very low50Low113 Ų113133.9 Ų133.979%0.7976%0.76SS**  trans-56.9123.7170.8-164.30000108.7S141 E145S141-S143 PolarHBondContact O-N 3.17Å; S143-E145 PolarHBondContact O-N 2.87Å; S143-E145 VanDerWaalsContact O-N 3.13Å
144Q44.7Very low52.2Low185 Ų185133.9 Ų133.986%0.86475%0.749SS**  trans-67.5112.7175.7-69.51788.900108.4P142P142-Q144 PolarHBondContact O-N 2.97Å
145E40.8Very low54.9Low171 Ų171125.1 Ų125.180%0.79971%0.708SS**  trans-55.3143.3167-75.9173.577.100109.9S143S143-E145 PolarHBondContact O-N 2.87Å; S143-E145 VanDerWaalsContact O-N 3.13Å
146P46Very low56.9Low106 Ų106126.3 Ų126.369%0.68870%0.697SS**  trans-57.8140.2174.226.2-34.2000109.3T148P146-T148 VanDerWaalsContact C-N 3.34Å; P146-T148 PolarHBondContact O-N 3.2Å
147P47.9Very low59.9Low126 Ų126122.9 Ų122.982%0.81866%0.661SS**  trans-67.593.5-175.627-34.5000110.4K149P147-K149 PolarHBondContact O-N 3Å
148T48.3Very low62.1Low100 Ų100120 Ų12061%0.61364%0.637SS**  trans-51.8125.4160.650.10000107.2P146 R150P146-T148 VanDerWaalsContact C-N 3.34Å; P146-T148 PolarHBondContact O-N 3.2Å; T148-R150 VanDerWaalsContact C-N 3.28Å; T148-R150 PolarHBondContact O-N 2.94Å
149K55.9Low64.7Low197 Ų197113.5 Ų113.586%0.85760%0.598SS**  trans-63.792179.8-69.7-179.1179.3-179.50108.5P147 E151P147-K149 PolarHBondContact O-N 3Å; K149-E151 PolarHBondContact O-N 3.2Å
150R66.7Low66.8Low179 Ų179114 Ų11468%0.67559%0.585SS**  trans-72.599.3174.6-69.8-175.5-178.8-159.6-0107.7T148 Y152T148-R150 VanDerWaalsContact C-N 3.28Å; T148-R150 PolarHBondContact O-N 2.94Å; R150-Y152 HydrophobicContact CB-CD2 4.24Å; R150-Y152 HydrophobicContact CB-CE1 4.47Å; R150-Y152 HydrophobicContact CB-CE2 3.7Å; R150-Y152 WeakPolarHBondContact O-CD2 3.19Å; R150-Y152 WeakPolarHBondContact O-CE2 3.44Å; R150-Y152 PolarHBondContact O-N 3.23Å; R150-Y152 VanDerWaalsContact O-N 3.15Å
151E70.8Confident68.9Low191 Ų191108.7 Ų108.789%0.89355%0.547SS*.  trans-69.9101.7166.5-71.8173.176.500108K149K149-E151 PolarHBondContact O-N 3.2Å
152Y78.9Confident71Confident117 Ų117106.7 Ų106.746%0.45953%0.531SS..  trans-82.8116.6176.9-62.1-92.7000109R150 Q154 A173 V225 P226R150-Y152 HydrophobicContact CB-CD2 4.24Å; R150-Y152 HydrophobicContact CB-CE1 4.47Å; R150-Y152 HydrophobicContact CB-CE2 3.7Å; R150-Y152 WeakPolarHBondContact O-CD2 3.19Å; R150-Y152 WeakPolarHBondContact O-CE2 3.44Å; R150-Y152 PolarHBondContact O-N 3.23Å; R150-Y152 VanDerWaalsContact O-N 3.15Å; Y152-Q154 PolarHBondContact O-N 3.45Å; Y152-A173 VanDerWaalsContact O-CB 3.28Å; Y152-A173 WeakPolarHBondContact O-CB 3.38Å; Y152-V225 VanDerWaalsContact O-CG1 3.27Å; Y152-V225 WeakPolarHBondContact O-CG1 3.32Å; Y152-P226 HydrophobicContact CD1-CB 4.05Å; Y152-P226 HydrophobicContact CD2-CB 3.73Å; Y152-P226 HydrophobicContact CD2-CG 4.04Å; Y152-P226 HydrophobicContact CE1-CB 4.47Å; Y152-P226 HydrophobicContact CE2-CB 4.18Å; Y152-P226 HydrophobicContact CE2-CG 4.07Å; Y152-P226 HydrophobicContact CG-CB 3.66Å; Y152-P226 HydrophobicContact CG-CG 4.44Å
153D89Confident72.5Confident93 Ų93106 Ų10650%0.49752%0.521SS..SBendtrans-74.5-5.1177.3-167.4-115.2000113.3R172 A173D153-R172 CarbonylContact O-C 3.58Å; D153-R172 WeakPolarHBondContact O-CA 3.42Å; D153-A173 WeakPolarHBondContact O-CB 3.47Å; D153-A173 PolarHBondContact O-N 2.93Å
154Q88.4Confident74.4Confident129 Ų129104 Ų10460%0.60352%0.518SS*.EExtended strand (participates in β ladder)trans-124.1145.4-179.6-69.6176.869.300111.3Y152 T170Y152-Q154 PolarHBondContact O-N 3.45Å; Q154-T170 HydrophobicContact CB-CG2 4.16Å
155C92.4Very high76.4Confident0 Ų099 Ų990%050%0.501CS..EExtended strand (participates in β ladder)trans-127.9117.9-177.9-175.20000109.9I157 T170 F171 L219 L224 V225 P226C155-I157 WeakPolarHBondContact SG-CD1 3.32Å; C155-T170 WeakPolarHBondContact O-CA 3.39Å; C155-F171 PolarHBondContact N-O 2.99Å; C155-F171 PolarHBondContact O-N 2.98Å; C155-L219 HydrophobicContact CB-CB 4.42Å; C155-L219 HydrophobicContact CB-CD1 3.93Å; C155-L224 VanDerWaalsContact SG-C 3.53Å; C155-L224 PolarHBondContact SG-O 3.39Å; C155-V225 HydrophobicContact CB-CG2 3.98Å; C155-P226 CarbonylContact C-O 3.54Å; C155-P226 WeakPolarHBondContact CA-O 3.41Å
156R93.9Very high78.7Confident149 Ų14993.4 Ų93.456%0.56248%0.48SS*.EExtended strand (participates in β ladder)trans-92.8107.9174.9-173-175.6-179.1-151.11.6110.2T168 P226 S227 A228R156-T168 HydrophobicContact CG-CG2 4.15Å; R156-P226 PolarHBondContact N-O 3.42Å; R156-S227 WeakPolarHBondContact O-CA 3.45Å; R156-S227 WeakPolarHBondContact O-CB 3.46Å; R156-S227 PolarHBondContact O-OG 3.43Å; R156-A228 PolarHBondContact O-N 3.2Å; R156-A228 VanDerWaalsContact O-N 3.13Å
157I94.3Very high80.8Confident1 Ų189.4 Ų89.41%0.00545%0.453CS..EExtended strand (participates in β ladder)trans-98.8127.9177.5-55.9-64.6000109.9C155 V159 T168 Q169 F171 V180 L219 L224 A228 L230C155-I157 WeakPolarHBondContact SG-CD1 3.32Å; I157-V159 HydrophobicContact CG2-CG2 3.75Å; I157-T168 WeakPolarHBondContact O-CA 3.44Å; I157-Q169 PolarHBondContact N-O 2.93Å; I157-Q169 PolarHBondContact O-N 2.86Å; I157-F171 HydrophobicContact CB-CD2 4.04Å; I157-F171 HydrophobicContact CB-CE2 3.94Å; I157-F171 HydrophobicContact CG1-CD2 3.74Å; I157-F171 HydrophobicContact CG1-CE2 4.08Å; I157-V180 HydrophobicContact CG1-CG2 4.36Å; I157-V180 HydrophobicContact CG2-CG1 4.01Å; I157-L219 HydrophobicContact CG1-CD1 4.43Å; I157-L224 HydrophobicContact CD1-CB 4.07Å; I157-A228 WeakPolarHBondContact CA-O 3.42Å; I157-A228 HydrophobicContact CD1-CB 3.88Å; I157-L230 HydrophobicContact CG2-CD1 4.01Å; I157-L230 HydrophobicContact CG2-CG 4.09Å
158Q94.1Very high82.9Confident56 Ų5686 Ų8626%0.26243%0.429SS..EExtended strand (participates in β ladder)trans-102.3120.2162.9-176.3-179.115.700108.7S166 L167 A228 V229 L230Q158-S166 PolarHBondContact NE2-OG 3.23Å; Q158-S166 VanDerWaalsContact NE2-OG 3.09Å; Q158-L167 CarbonylContact C-O 3.55Å; Q158-L167 WeakPolarHBondContact CA-O 3.33Å; Q158-A228 PolarHBondContact N-O 2.85Å; Q158-V229 HydrophobicContact CB-CG2 4.45Å; Q158-V229 CarbonylContact O-C 3.45Å; Q158-V229 WeakPolarHBondContact O-CA 3.13Å; Q158-L230 PolarHBondContact O-N 3.24Å
159V92.8Very high85Confident2 Ų284.7 Ų84.71%0.01242%0.417CS..EExtended strand (participates in β ladder)trans-103.3128.8175.6-168.60000110.1I157 S166 L167 V180 V184 L230 V232I157-V159 HydrophobicContact CG2-CG2 3.75Å; V159-S166 CarbonylContact O-C 3.52Å; V159-S166 WeakPolarHBondContact O-CA 3.37Å; V159-L167 PolarHBondContact N-O 2.89Å; V159-L167 PolarHBondContact O-N 2.65Å; V159-V180 HydrophobicContact CG2-CG1 3.78Å; V159-V184 HydrophobicContact CB-CG2 4.11Å; V159-V184 HydrophobicContact CG1-CG2 3.64Å; V159-V184 HydrophobicContact CG2-CG2 3.97Å; V159-L230 CarbonylContact C-O 3.57Å; V159-L230 WeakPolarHBondContact CA-O 3.43Å; V159-V232 HydrophobicContact CG1-CG2 3.36Å
160R90.1Very high86.8Confident122 Ų12278.4 Ų78.446%0.4640%0.395SS..EExtended strand (participates in β ladder)trans-96.9116.8173.8-63.6176.5177.2-91.5-2.9109.4V229 L230 I231 V232R160-V229 HydrophobicContact CG-CG1 4.35Å; R160-L230 PolarHBondContact N-O 3.15Å; R160-I231 HydrophobicContact CB-CG1 4.41Å; R160-V232 PolarHBondContact O-N 2.76Å
161L87.6Confident88.1Confident17 Ų1770.5 Ų70.59%0.08937%0.365CS..PPolyproline II helixtrans-78.2155.5175.2-67.1167000110.5D163 G164 T165 L167 V184 V232L161-D163 PolarHBondContact O-N 2.96Å; L161-G164 PolarHBondContact O-N 3.21Å; L161-T165 WeakPolarHBondContact CB-O 3.25Å; L161-T165 HydrophobicContact CD1-CG2 4.26Å; L161-T165 PolarHBondContact N-O 2.78Å; L161-L167 HydrophobicContact CD1-CD1 4.03Å; L161-L167 HydrophobicContact CD1-CD2 4.26Å; L161-L167 HydrophobicContact CD1-CG 3.91Å; L161-L167 HydrophobicContact CD2-CD1 4.36Å; L161-L167 HydrophobicContact CG-CD1 4.34Å; L161-L167 HydrophobicContact CG-CG 4.38Å; L161-V184 HydrophobicContact CD2-CG1 4.02Å; L161-V232 HydrophobicContact CD2-CG2 4.38Å
162P81.9Confident89.1Confident65 Ų6569.5 Ų69.542%0.42235%0.353SS..THydrogen-bonded Turntrans-62.1-22.9172.827.4-35000112.3G164P162-G164 PolarHBondContact O-N 3.39Å
163D80.8Confident89.6Confident107 Ų10764.1 Ų64.157%0.57233%0.333SS*.THydrogen-bonded Turntrans-79.97-179.9-38.5-73.5000112.7L161 T165L161-D163 PolarHBondContact O-N 2.96Å; D163-T165 PolarHBondContact O-N 3.03Å
164G78Confident89.7Confident70 Ų7068.8 Ų68.872%0.72234%0.344SS*.SBendtrans84.7-25.1177.700000114.9L161 P162L161-G164 PolarHBondContact O-N 3.21Å; P162-G164 PolarHBondContact O-N 3.39Å
165T85.7Confident89.8Confident82 Ų8266 Ų6650%0.50333%0.33SS..  trans-61.1142.7174.4-58.80000111.6L161 D163L161-T165 WeakPolarHBondContact CB-O 3.25Å; L161-T165 HydrophobicContact CD1-CG2 4.26Å; L161-T165 PolarHBondContact N-O 2.78Å; D163-T165 PolarHBondContact O-N 3.03Å
166S88.6Confident89.9Confident52 Ų5270.7 Ų70.736%0.36435%0.352SS..EExtended strand (participates in β ladder)trans-116.7120.7171.4760000112.4Q158 V159Q158-S166 PolarHBondContact NE2-OG 3.23Å; Q158-S166 VanDerWaalsContact NE2-OG 3.09Å; V159-S166 CarbonylContact O-C 3.52Å; V159-S166 WeakPolarHBondContact O-CA 3.37Å
167L90.3Very high89.8Confident22 Ų2263.6 Ų63.612%0.11533%0.326CS..EExtended strand (participates in β ladder)trans-84.4144.5172.2-51.6172000109Q158 V159 L161 Y183 H187Q158-L167 CarbonylContact C-O 3.55Å; Q158-L167 WeakPolarHBondContact CA-O 3.33Å; V159-L167 PolarHBondContact N-O 2.89Å; V159-L167 PolarHBondContact O-N 2.65Å; L161-L167 HydrophobicContact CD1-CD1 4.03Å; L161-L167 HydrophobicContact CD1-CD2 4.26Å; L161-L167 HydrophobicContact CD1-CG 3.91Å; L161-L167 HydrophobicContact CD2-CD1 4.36Å; L161-L167 HydrophobicContact CG-CD1 4.34Å; L161-L167 HydrophobicContact CG-CG 4.38Å; L167-Y183 HydrophobicContact CB-CE1 3.78Å; L167-Y183 HydrophobicContact CD1-CE1 4.15Å; L167-H187 HydrophobicContact CD1-CB 3.57Å; L167-H187 HydrophobicContact CD2-CB 3.86Å; L167-H187 HydrophobicContact CG-CB 4.37Å
168T93.1Very high89.7Confident54 Ų5465.4 Ų65.433%0.33134%0.341SS..EExtended strand (participates in β ladder)trans-135.5123176.2-57.90000110R156 I157R156-T168 HydrophobicContact CG-CG2 4.15Å; I157-T168 WeakPolarHBondContact O-CA 3.44Å
169Q92.1Very high89.5Confident74 Ų7464 Ų6435%0.34634%0.339SS..EExtended strand (participates in β ladder)trans-140.4144.1-174.9-17861.83400110.5I157 F171 Y183I157-Q169 PolarHBondContact N-O 2.93Å; I157-Q169 PolarHBondContact O-N 2.86Å; Q169-F171 HydrophobicContact CB-CD2 4.31Å; Q169-F171 HydrophobicContact CB-CE2 3.53Å; Q169-F171 HydrophobicContact CB-CZ 3.8Å; Q169-F171 HydrophobicContact CG-CD2 4.12Å; Q169-F171 HydrophobicContact CG-CE1 3.97Å; Q169-F171 HydrophobicContact CG-CE2 3.54Å; Q169-F171 HydrophobicContact CG-CZ 3.45Å; Q169-F171 VanDerWaalsContact CG-CZ 3.45Å; Q169-Y183 HydrophobicContact CB-CD1 4.1Å; Q169-Y183 HydrophobicContact CB-CD2 4.41Å; Q169-Y183 HydrophobicContact CB-CE1 3.6Å; Q169-Y183 HydrophobicContact CB-CE2 3.95Å; Q169-Y183 HydrophobicContact CB-CG 4.48Å; Q169-Y183 HydrophobicContact CG-CD1 4.45Å; Q169-Y183 HydrophobicContact CG-CD2 4.01Å; Q169-Y183 HydrophobicContact CG-CE1 4.26Å; Q169-Y183 HydrophobicContact CG-CE2 3.8Å; Q169-Y183 HydrophobicContact CG-CG 4.35Å
170T93.9Very high89.3Confident65 Ų6564 Ų6440%0.39934%0.338SS..EExtended strand (participates in β ladder)trans-97.5128.7172.1-54.70000109Q154 C155Q154-T170 HydrophobicContact CB-CG2 4.16Å; C155-T170 WeakPolarHBondContact O-CA 3.39Å
171F93Very high89.2Confident12 Ų1261.8 Ų61.85%0.05333%0.33CS..EExtended strand (participates in β ladder)trans-119.8164.6178.2-60.9-89.6000109.3C155 I157 Q169 E175 A179 V180 Y183 L219C155-F171 PolarHBondContact N-O 2.99Å; C155-F171 PolarHBondContact O-N 2.98Å; I157-F171 HydrophobicContact CB-CD2 4.04Å; I157-F171 HydrophobicContact CB-CE2 3.94Å; I157-F171 HydrophobicContact CG1-CD2 3.74Å; I157-F171 HydrophobicContact CG1-CE2 4.08Å; Q169-F171 HydrophobicContact CB-CD2 4.31Å; Q169-F171 HydrophobicContact CB-CE2 3.53Å; Q169-F171 HydrophobicContact CB-CZ 3.8Å; Q169-F171 HydrophobicContact CG-CD2 4.12Å; Q169-F171 HydrophobicContact CG-CE1 3.97Å; Q169-F171 HydrophobicContact CG-CE2 3.54Å; Q169-F171 HydrophobicContact CG-CZ 3.45Å; Q169-F171 VanDerWaalsContact CG-CZ 3.45Å; F171-E175 HydrophobicContact CB-CB 4.5Å; F171-A179 HydrophobicContact CD1-CB 4.29Å; F171-A179 HydrophobicContact CE1-CB 4.26Å; F171-V180 HydrophobicContact CD1-CG2 4.4Å; F171-V180 HydrophobicContact CD2-CG2 4.12Å; F171-V180 HydrophobicContact CE1-CG2 4.15Å; F171-V180 HydrophobicContact CE2-CB 4.46Å; F171-V180 HydrophobicContact CE2-CG1 4.32Å; F171-V180 HydrophobicContact CE2-CG2 3.84Å; F171-V180 HydrophobicContact CG-CG2 4.38Å; F171-V180 HydrophobicContact CZ-CB 4.2Å; F171-V180 HydrophobicContact CZ-CG1 4.29Å; F171-V180 HydrophobicContact CZ-CG2 3.86Å; F171-Y183 HydrophobicContact CZ-CD1 4.19Å; F171-Y183 HydrophobicContact CZ-CG 4.06Å; F171-L219 HydrophobicContact CB-CD1 3.49Å; F171-L219 VanDerWaalsContact CB-CD1 3.49Å; F171-L219 HydrophobicContact CD2-CD1 4.46Å; F171-L219 HydrophobicContact CG-CD1 4.1Å
172R92.4Very high89.2Confident171 Ų17166.6 Ų66.665%0.64536%0.355SS*.EExtended strand (participates in β ladder)trans-79.5151.1172.1-61.8-177.1178.4-178.7-0.6111.1D153 R174 E175D153-R172 CarbonylContact O-C 3.58Å; D153-R172 WeakPolarHBondContact O-CA 3.42Å; R172-R174 PolarHBondContact O-N 3.48Å; R172-E175 HydrophobicContact CB-CB 4.2Å; R172-E175 PolarHBondContact N-OE2 3.11Å; R172-E175 WeakPolarHBondContact O-CB 3.39Å; R172-E175 PolarHBondContact O-N 2.85Å
173A90Very high89.5Confident3 Ų365.4 Ų65.43%0.02534%0.343CS..THydrogen-bonded Turntrans-61.7-29.5179.200000113.2Y152 D153 L219 Q220 V225Y152-A173 VanDerWaalsContact O-CB 3.28Å; Y152-A173 WeakPolarHBondContact O-CB 3.38Å; D153-A173 WeakPolarHBondContact O-CB 3.47Å; D153-A173 PolarHBondContact O-N 2.93Å; A173-L219 PolarHBondContact O-N 3.19Å; A173-Q220 HydrophobicContact CB-CB 4.32Å; A173-Q220 WeakPolarHBondContact O-CB 3.4Å; A173-Q220 PolarHBondContact O-N 2.8Å; A173-V225 HydrophobicContact CB-CG2 3.75Å
174R90.8Very high89.8Confident192 Ų19260.3 Ų60.373%0.72532%0.315SS*.THydrogen-bonded Turntrans-87.90.5175.8-57-178-175.2-161.9-2.3113.9R172R172-R174 PolarHBondContact O-N 3.48Å
175E91.4Very high90.1Very high69 Ų6960.7 Ų60.732%0.32230%0.299SS..SBendtrans-79.6147.6180-146.1163.6143.900110.3F171 R172 A179 P218 L219F171-E175 HydrophobicContact CB-CB 4.5Å; R172-E175 HydrophobicContact CB-CB 4.2Å; R172-E175 PolarHBondContact N-OE2 3.11Å; R172-E175 WeakPolarHBondContact O-CB 3.39Å; R172-E175 PolarHBondContact O-N 2.85Å; E175-A179 HydrophobicContact CG-CB 4.09Å; E175-P218 CarbonylContact O-C 3.22Å; E175-P218 WeakPolarHBondContact O-CA 3.33Å; E175-L219 WeakPolarHBondContact O-CG 3.13Å; E175-L219 PolarHBondContact O-N 3.4Å
176Q94.3Very high90Very high100 Ų10063.4 Ų63.447%0.46731%0.309SS..BIsolated β-bridgetrans-79.6149.3-175.9-69.3179.4-46.600112A178 A179 E216 R217Q176-A178 HydrophobicContact CB-CB 4.38Å; Q176-A178 PolarHBondContact O-N 2.93Å; Q176-A179 VanDerWaalsContact O-CB 3.32Å; Q176-A179 WeakPolarHBondContact O-CB 3.32Å; Q176-A179 PolarHBondContact O-N 3.36Å; Q176-E216 WeakPolarHBondContact CG-O 3.42Å; Q176-E216 PolarHBondContact NE2-O 2.87Å; Q176-R217 WeakPolarHBondContact CA-O 3.28Å
177L91.6Very high89.6Confident0 Ų065.2 Ų65.20%031%0.312CS..Hα-helixtrans-58.8-28.1174.5179.970.6000112.6A179 V180 R181 L201 F210 D214 M215 R217 L219 L222 L224 L230L177-A179 PolarHBondContact O-N 2.85Å; L177-V180 HydrophobicContact CD1-CB 4.38Å; L177-V180 HydrophobicContact CD1-CG2 4.3Å; L177-V180 WeakPolarHBondContact O-CB 3.12Å; L177-V180 PolarHBondContact O-N 3.46Å; L177-R181 PolarHBondContact O-N 2.84Å; L177-L201 HydrophobicContact CD1-CD1 4.04Å; L177-L201 HydrophobicContact CG-CD1 4.17Å; L177-F210 HydrophobicContact CD2-CB 3.54Å; L177-F210 HydrophobicContact CD2-CD1 3.72Å; L177-F210 HydrophobicContact CD2-CD2 4.16Å; L177-F210 HydrophobicContact CD2-CE1 4.46Å; L177-F210 HydrophobicContact CD2-CG 3.53Å; L177-D214 HydrophobicContact CD2-CB 4.33Å; L177-M215 HydrophobicContact CD2-CE 4.18Å; L177-M215 HydrophobicContact CD2-SD 3.82Å; L177-M215 HydrophobicContact CG-SD 3.92Å; L177-M215 PolarHBondContact N-O 2.81Å; L177-R217 PolarHBondContact N-O 3.13Å; L177-R217 VanDerWaalsContact N-O 3.11Å; L177-L219 HydrophobicContact CB-CD2 4.4Å; L177-L219 HydrophobicContact CD1-CD2 4.07Å; L177-L222 HydrophobicContact CB-CD1 3.62Å; L177-L222 HydrophobicContact CD1-CD1 4.4Å; L177-L222 HydrophobicContact CD2-CD1 3.86Å; L177-L222 HydrophobicContact CG-CD1 4.16Å; L177-L224 HydrophobicContact CD1-CD1 4Å; L177-L230 HydrophobicContact CD1-CD1 3.95Å
178A91.1Very high88.8Confident39 Ų3967.9 Ų67.932%0.32232%0.32SS..Hα-helixtrans-52.5-33.3170.600000113.8Q176 V180 R181 L182 M215Q176-A178 HydrophobicContact CB-CB 4.38Å; Q176-A178 PolarHBondContact O-N 2.93Å; A178-V180 VanDerWaalsContact C-N 3.31Å; A178-V180 PolarHBondContact O-N 3.45Å; A178-R181 WeakPolarHBondContact O-CB 3.47Å; A178-R181 PolarHBondContact O-N 3.23Å; A178-L182 PolarHBondContact O-N 3.26Å; A178-M215 HydrophobicContact CB-CB 4.24Å; A178-M215 WeakPolarHBondContact CB-O 3.2Å; A178-M215 PolarHBondContact N-O 2.89Å
179A90.7Very high87.2Confident27 Ų2767.6 Ų67.622%0.22333%0.328CS..Hα-helixtrans-65.4-35.8176.800000112F171 E175 Q176 L177 Y183F171-A179 HydrophobicContact CD1-CB 4.29Å; F171-A179 HydrophobicContact CE1-CB 4.26Å; E175-A179 HydrophobicContact CG-CB 4.09Å; Q176-A179 VanDerWaalsContact O-CB 3.32Å; Q176-A179 WeakPolarHBondContact O-CB 3.32Å; Q176-A179 PolarHBondContact O-N 3.36Å; L177-A179 PolarHBondContact O-N 2.85Å; A179-Y183 VanDerWaalsContact O-CB 3.32Å; A179-Y183 WeakPolarHBondContact O-CB 3.33Å; A179-Y183 PolarHBondContact O-N 2.97Å
180V89Confident85.2Confident0 Ų074 Ų740%036%0.358CS..Hα-helixtrans-68.3-40.2174.4-170.20000110.7I157 V159 F171 L177 A178 Y183 V184 L219 L230I157-V180 HydrophobicContact CG1-CG2 4.36Å; I157-V180 HydrophobicContact CG2-CG1 4.01Å; V159-V180 HydrophobicContact CG2-CG1 3.78Å; F171-V180 HydrophobicContact CD1-CG2 4.4Å; F171-V180 HydrophobicContact CD2-CG2 4.12Å; F171-V180 HydrophobicContact CE1-CG2 4.15Å; F171-V180 HydrophobicContact CE2-CB 4.46Å; F171-V180 HydrophobicContact CE2-CG1 4.32Å; F171-V180 HydrophobicContact CE2-CG2 3.84Å; F171-V180 HydrophobicContact CG-CG2 4.38Å; F171-V180 HydrophobicContact CZ-CB 4.2Å; F171-V180 HydrophobicContact CZ-CG1 4.29Å; F171-V180 HydrophobicContact CZ-CG2 3.86Å; L177-V180 HydrophobicContact CD1-CB 4.38Å; L177-V180 HydrophobicContact CD1-CG2 4.3Å; L177-V180 WeakPolarHBondContact O-CB 3.12Å; L177-V180 PolarHBondContact O-N 3.46Å; A178-V180 VanDerWaalsContact C-N 3.31Å; A178-V180 PolarHBondContact O-N 3.45Å; V180-Y183 PolarHBondContact O-N 2.81Å; V180-V184 VanDerWaalsContact O-CG2 3.32Å; V180-V184 WeakPolarHBondContact O-CG2 3.42Å; V180-V184 PolarHBondContact O-N 2.88Å; V180-L219 HydrophobicContact CG2-CD1 4.45Å; V180-L219 HydrophobicContact CG2-CD2 4.04Å; V180-L230 HydrophobicContact CG1-CD1 4.07Å
181R87.4Confident83Confident76 Ų7679.1 Ų79.129%0.28738%0.377SS..Hα-helixtrans-59.8-49.9174.4179.6-178.9167.2-157-11.5111.4L177 A178 Y183 V184 E185 V199 L201 M215L177-R181 PolarHBondContact O-N 2.84Å; A178-R181 WeakPolarHBondContact O-CB 3.47Å; A178-R181 PolarHBondContact O-N 3.23Å; R181-Y183 VanDerWaalsContact C-N 3.32Å; R181-Y183 PolarHBondContact O-N 2.85Å; R181-V184 WeakPolarHBondContact O-CB 3.44Å; R181-V184 PolarHBondContact O-N 2.82Å; R181-E185 IonicContact CZ-OE1 3.96Å; R181-E185 IonicContact NE-OE1 3.7Å; R181-E185 PolarHBondContact NE-OE1 3.42Å; R181-E185 IonicContact NE-OE2 3.67Å; R181-E185 IonicContact NH2-OE1 2.67Å; R181-E185 PolarHBondContact NH2-OE1 3.44Å; R181-E185 WeakPolarHBondContact O-CG 3.33Å; R181-E185 PolarHBondContact O-N 2.68Å; R181-V199 HydrophobicContact CG-CG2 3.84Å; R181-L201 HydrophobicContact CB-CD1 4.25Å; R181-M215 HydrophobicContact CB-SD 4.39Å
182L88.1Confident80.3Confident118 Ų11887 Ų8762%0.61842%0.419SS*.Hα-helixtrans-59.9-42.8177.6-173.976.9000111.8A178 V184 E185 L186A178-L182 PolarHBondContact O-N 3.26Å; L182-V184 VanDerWaalsContact C-N 3.32Å; L182-V184 PolarHBondContact O-N 2.99Å; L182-E185 PolarHBondContact O-N 3.23Å; L182-L186 WeakPolarHBondContact O-CB 3.35Å; L182-L186 PolarHBondContact O-N 2.99Å
183Y88.3Confident78Confident40 Ų4083 Ų8316%0.15743%0.43CS..Hα-helixtrans-61-39.9177.5175.6-96.8000112.2L167 Q169 F171 A179 V180 R181 H187L167-Y183 HydrophobicContact CB-CE1 3.78Å; L167-Y183 HydrophobicContact CD1-CE1 4.15Å; Q169-Y183 HydrophobicContact CB-CD1 4.1Å; Q169-Y183 HydrophobicContact CB-CD2 4.41Å; Q169-Y183 HydrophobicContact CB-CE1 3.6Å; Q169-Y183 HydrophobicContact CB-CE2 3.95Å; Q169-Y183 HydrophobicContact CB-CG 4.48Å; Q169-Y183 HydrophobicContact CG-CD1 4.45Å; Q169-Y183 HydrophobicContact CG-CD2 4.01Å; Q169-Y183 HydrophobicContact CG-CE1 4.26Å; Q169-Y183 HydrophobicContact CG-CE2 3.8Å; Q169-Y183 HydrophobicContact CG-CG 4.35Å; F171-Y183 HydrophobicContact CZ-CD1 4.19Å; F171-Y183 HydrophobicContact CZ-CG 4.06Å; A179-Y183 VanDerWaalsContact O-CB 3.32Å; A179-Y183 WeakPolarHBondContact O-CB 3.33Å; A179-Y183 PolarHBondContact O-N 2.97Å; V180-Y183 PolarHBondContact O-N 2.81Å; R181-Y183 VanDerWaalsContact C-N 3.32Å; R181-Y183 PolarHBondContact O-N 2.85Å; Y183-H187 AromaticContact CD2-CE1 3.47Å; Y183-H187 VanDerWaalsContact CD2-CE1 3.47Å; Y183-H187 WeakPolarHBondContact CD2-CE1 3.38Å; Y183-H187 AromaticContact CD2-ND1 3.63Å; Y183-H187 AromaticContact CE2-CE1 3.12Å; Y183-H187 WeakPolarHBondContact CE2-CE1 3.41Å; Y183-H187 AromaticContact CE2-ND1 3.52Å; Y183-H187 AromaticContact CE2-NE2 3.72Å; Y183-H187 AromaticContact CZ-CE1 3.77Å; Y183-H187 AromaticContact CZ-ND1 3.87Å; Y183-H187 PolarHBondContact O-N 3.21Å; Y183-H187 PolarHBondContact O-ND1 3.02Å
184V87.1Confident75.6Confident0 Ų085.8 Ų85.80%046%0.46CS..Hα-helixtrans-63.4-48.5172.21680000111.3V159 L161 V180 R181 L182 L186 H187 R188 V232V159-V184 HydrophobicContact CB-CG2 4.11Å; V159-V184 HydrophobicContact CG1-CG2 3.64Å; V159-V184 HydrophobicContact CG2-CG2 3.97Å; L161-V184 HydrophobicContact CD2-CG1 4.02Å; V180-V184 VanDerWaalsContact O-CG2 3.32Å; V180-V184 WeakPolarHBondContact O-CG2 3.42Å; V180-V184 PolarHBondContact O-N 2.88Å; R181-V184 WeakPolarHBondContact O-CB 3.44Å; R181-V184 PolarHBondContact O-N 2.82Å; L182-V184 VanDerWaalsContact C-N 3.32Å; L182-V184 PolarHBondContact O-N 2.99Å; V184-L186 VanDerWaalsContact C-N 3.3Å; V184-L186 PolarHBondContact O-N 3.48Å; V184-H187 PolarHBondContact O-N 2.95Å; V184-R188 WeakPolarHBondContact O-CB 3.22Å; V184-R188 PolarHBondContact O-N 3.02Å; V184-V232 HydrophobicContact CG1-CG1 4.41Å; V184-V232 HydrophobicContact CG1-CG2 3.78Å; V184-V232 HydrophobicContact CG2-CG2 4.18Å
185E83.4Confident73.4Confident79 Ų7980.1 Ų80.137%0.36946%0.461SS..Hα-helixtrans-60.1-40-179.3-72.3169.9167.500111.7R181 L182 V199R181-E185 IonicContact CZ-OE1 3.96Å; R181-E185 IonicContact NE-OE1 3.7Å; R181-E185 PolarHBondContact NE-OE1 3.42Å; R181-E185 IonicContact NE-OE2 3.67Å; R181-E185 IonicContact NH2-OE1 2.67Å; R181-E185 PolarHBondContact NH2-OE1 3.44Å; R181-E185 WeakPolarHBondContact O-CG 3.33Å; R181-E185 PolarHBondContact O-N 2.68Å; L182-E185 PolarHBondContact O-N 3.23Å; E185-V199 HydrophobicContact CG-CG2 4.18Å
186L84.2Confident71.5Confident139 Ų13986.5 Ų86.573%0.72849%0.491SS*.Hα-helixtrans-67.3-36.5176.7-175.664.9000113.7L182 V184L182-L186 WeakPolarHBondContact O-CB 3.35Å; L182-L186 PolarHBondContact O-N 2.99Å; V184-L186 VanDerWaalsContact C-N 3.3Å; V184-L186 PolarHBondContact O-N 3.48Å
187H80Confident69.8Low89 Ų8984.2 Ų84.241%0.41248%0.482SS..Hα-helixtrans-95.4-1.5-175.5-69.779.4000114L167 Y183 V184 G189L167-H187 HydrophobicContact CD1-CB 3.57Å; L167-H187 HydrophobicContact CD2-CB 3.86Å; L167-H187 HydrophobicContact CG-CB 4.37Å; Y183-H187 AromaticContact CD2-CE1 3.47Å; Y183-H187 VanDerWaalsContact CD2-CE1 3.47Å; Y183-H187 WeakPolarHBondContact CD2-CE1 3.38Å; Y183-H187 AromaticContact CD2-ND1 3.63Å; Y183-H187 AromaticContact CE2-CE1 3.12Å; Y183-H187 WeakPolarHBondContact CE2-CE1 3.41Å; Y183-H187 AromaticContact CE2-ND1 3.52Å; Y183-H187 AromaticContact CE2-NE2 3.72Å; Y183-H187 AromaticContact CZ-CE1 3.77Å; Y183-H187 AromaticContact CZ-ND1 3.87Å; Y183-H187 PolarHBondContact O-N 3.21Å; Y183-H187 PolarHBondContact O-ND1 3.02Å; V184-H187 PolarHBondContact O-N 2.95Å; H187-G189 VanDerWaalsContact C-N 3.27Å; H187-G189 PolarHBondContact O-N 3.5Å
188R74.2Confident68.6Low79 Ų7986.8 Ų86.830%0.29850%0.499SS..SBendtrans-73.5-17.3-179.5-173.1169.2171.7-153.7-13.8113.6V184 V199V184-R188 WeakPolarHBondContact O-CB 3.22Å; V184-R188 PolarHBondContact O-N 3.02Å; R188-V199 VanDerWaalsContact NH1-CG1 3.33Å
189G57.5Low67.9Low48 Ų4885.3 Ų85.350%0.49549%0.486SS..  trans78.4141.1177.600000113.5H187 E191H187-G189 VanDerWaalsContact C-N 3.27Å; H187-G189 PolarHBondContact O-N 3.5Å; G189-E191 PolarHBondContact O-N 2.84Å
190E51.6Low67.7Low207 Ų20786 Ų8697%0.96748%0.484SS*.SBendtrans-81.845.7176.8-171.7151.568.100111.5
191E47.3Very low67.7Low174 Ų17486 Ų8681%0.81348%0.484SS*.  trans-112.6109.5-169.9-53.1-152.2123.400110.5G189G189-E191 PolarHBondContact O-N 2.84Å
192L36.8Very low67.9Low178 Ų17884.9 Ų84.993%0.93248%0.484SS*.SBendtrans68.967.9174.2-65.2155.2000116.5
193G42.4Very low67.9Low85 Ų8580.1 Ų80.188%0.87646%0.46SS*.  trans53.690.9136.300000118
194G39.8Very low67.6Low62 Ų6279.6 Ų79.664%0.63947%0.467SS*.  trans-175.737.1176.800000118.1
195G45.1Very low66.8Low74 Ų7489.4 Ų89.476%0.76351%0.51SS*.THydrogen-bonded Turntrans66.4172.7164.300000117.5D197G195-D197 PolarHBondContact O-N 3.21Å
196Q51.8Low66.6Low203 Ų20390.4 Ų90.495%0.94952%0.524SS*.THydrogen-bonded Turntrans-76.552168.3-62.3179.4-58.900110.4P198Q196-P198 WeakPolarHBondContact O-CD 3.09Å
197D58.3Low66.6Low52 Ų5293.9 Ų93.928%0.27853%0.527SS..  trans-65.1121.2-179.9-171.7-110.2000109.6G195 V199 K235G195-D197 PolarHBondContact O-N 3.21Å; D197-V199 PolarHBondContact O-N 3.24Å; D197-K235 PolarHBondContact OD1-N 3.13Å
198P66.3Low67Low53 Ų5394.9 Ų94.934%0.34453%0.527SS..  trans-63.6109-173.223.6-34.2000111.1Q196 Q200 K235Q196-P198 WeakPolarHBondContact O-CD 3.09Å; P198-Q200 PolarHBondContact O-N 3.01Å; P198-K235 HydrophobicContact CB-CD 4.24Å; P198-K235 HydrophobicContact CG-CB 4.22Å; P198-K235 HydrophobicContact CG-CD 3.74Å; P198-K235 WeakPolarHBondContact O-CB 3.28Å
199V77.1Confident67.8Low8 Ų893.8 Ų93.85%0.04854%0.535CS..EExtended strand (participates in β ladder)trans-66126.9179.3-69.80000111.6R181 E185 R188 D197 V232R181-V199 HydrophobicContact CG-CG2 3.84Å; E185-V199 HydrophobicContact CG-CG2 4.18Å; R188-V199 VanDerWaalsContact NH1-CG1 3.33Å; D197-V199 PolarHBondContact O-N 3.24Å; V199-V232 HydrophobicContact CB-CG1 4.05Å; V199-V232 HydrophobicContact CG1-CG1 4.01Å
200Q86.1Confident69.2Low43 Ų4391.7 Ų91.720%0.20151%0.512CS..EExtended strand (participates in β ladder)trans-91.3115.3176.618057.97200109.6P198 F210 A233 K235P198-Q200 PolarHBondContact O-N 3.01Å; Q200-F210 PolarHBondContact NE2-O 2.9Å; Q200-A233 HydrophobicContact CB-CB 4.3Å; Q200-A233 PolarHBondContact N-O 3.44Å; Q200-A233 PolarHBondContact O-N 3.4Å; Q200-K235 HydrophobicContact CB-CB 4.46Å
201L89.4Confident71Confident0 Ų084.6 Ų84.60%049%0.486CS..EExtended strand (participates in β ladder)trans-82.8134.2172.4-62.5178.7000110.5L177 R181 F210 M215 L230 V232L177-L201 HydrophobicContact CD1-CD1 4.04Å; L177-L201 HydrophobicContact CG-CD1 4.17Å; R181-L201 HydrophobicContact CB-CD1 4.25Å; L201-F210 HydrophobicContact CB-CB 4.49Å; L201-F210 HydrophobicContact CB-CD2 4.18Å; L201-F210 PolarHBondContact O-N 2.83Å; L201-M215 HydrophobicContact CB-CE 4.46Å; L201-M215 HydrophobicContact CD1-CE 4.25Å; L201-M215 HydrophobicContact CD1-SD 4.41Å; L201-M215 HydrophobicContact CG-CE 4.44Å; L201-L230 HydrophobicContact CD1-CD1 4.39Å; L201-V232 HydrophobicContact CD2-CG2 3.86Å
202L90.1Very high72.7Confident51 Ų5184.1 Ų84.127%0.26748%0.483SS..EExtended strand (participates in β ladder)trans-122.7136.9177.4-64.3163.4000109.4R208 A209 L230 I231 A233L202-R208 CarbonylContact C-O 3.58Å; L202-R208 WeakPolarHBondContact CA-O 3.44Å; L202-A209 HydrophobicContact CD2-CB 3.81Å; L202-L230 CarbonylContact O-C 3.49Å; L202-L230 VanDerWaalsContact O-CA 3.28Å; L202-L230 WeakPolarHBondContact O-CA 3.33Å; L202-I231 HydrophobicContact CB-CB 4.26Å; L202-I231 PolarHBondContact N-O 3.09Å; L202-I231 PolarHBondContact O-N 2.76Å; L202-A233 HydrophobicContact CD1-CB 3.76Å
203S90Very high75.1Confident18 Ų1878.1 Ų78.113%0.12646%0.46CS..EExtended strand (participates in β ladder)trans-74.6160167.264.40000111.9P206 R208S203-P206 PolarHBondContact OG-O 2.84Å; S203-R208 PolarHBondContact N-O 2.88Å; S203-R208 WeakPolarHBondContact OG-CB 3.39Å; S203-R208 PolarHBondContact OG-N 2.76Å; S203-R208 PolarHBondContact OG-O 2.88Å
204G80.1Confident77.3Confident29 Ų2974.6 Ų74.630%0.29942%0.421SS..SBendtrans-63.8-99.5172.300000114.1P206 R207 V229G204-P206 CarbonylContact O-C 3.5Å; G204-R207 WeakPolarHBondContact O-CA 3.27Å; G204-R207 WeakPolarHBondContact O-CG 3.48Å; G204-R207 PolarHBondContact O-N 3.35Å; G204-V229 PolarHBondContact N-O 3.06Å
205F70.9Confident79.7Confident206 Ų20672.7 Ų72.790%0.90440%0.395SS*.SBendtrans-124.2129.7178.4-173.2-90.9000110.9
206P80.4Confident81.8Confident101 Ų10175.8 Ų75.866%0.65639%0.39SS*.SBendcis-63.4149.9-10.929-35.2000111.6S203 G204 R208S203-P206 PolarHBondContact OG-O 2.84Å; G204-P206 CarbonylContact O-C 3.5Å; P206-R208 PolarHBondContact O-N 3.46Å
207R83.6Confident83.7Confident211 Ų21171.7 Ų71.780%0.79637%0.366SS*.  trans-73.5120.2179.2-67.6-177.2-161-118.87.8109.9G204G204-R207 WeakPolarHBondContact O-CA 3.27Å; G204-R207 WeakPolarHBondContact O-CG 3.48Å; G204-R207 PolarHBondContact O-N 3.35Å
208R88.1Confident85.3Confident111 Ų11170.1 Ų70.142%0.41936%0.358SS..  trans-130.2134.8173.9173180173.7178.5-0.8108.5L202 S203 P206 D214L202-R208 CarbonylContact C-O 3.58Å; L202-R208 WeakPolarHBondContact CA-O 3.44Å; S203-R208 PolarHBondContact N-O 2.88Å; S203-R208 WeakPolarHBondContact OG-CB 3.39Å; S203-R208 PolarHBondContact OG-N 2.76Å; S203-R208 PolarHBondContact OG-O 2.88Å; P206-R208 PolarHBondContact O-N 3.46Å; R208-D214 IonicContact CZ-OD1 3.23Å; R208-D214 IonicContact NH2-OD1 2.82Å; R208-D214 PolarHBondContact NH2-OD1 3.2Å
209A90.1Very high86.5Confident56 Ų5667.6 Ų67.646%0.46334%0.342SS..BIsolated β-bridgetrans-84.6133.3165.900000109.6L202L202-A209 HydrophobicContact CD2-CB 3.81Å
210F88.9Confident87.1Confident4 Ų471.8 Ų71.82%0.01836%0.361CS..PPolyproline II helixtrans-89.9119.4175.6-66.3-75.8000110.2L177 Q200 L201 D214 M215 L222 L224 L230L177-F210 HydrophobicContact CD2-CB 3.54Å; L177-F210 HydrophobicContact CD2-CD1 3.72Å; L177-F210 HydrophobicContact CD2-CD2 4.16Å; L177-F210 HydrophobicContact CD2-CE1 4.46Å; L177-F210 HydrophobicContact CD2-CG 3.53Å; Q200-F210 PolarHBondContact NE2-O 2.9Å; L201-F210 HydrophobicContact CB-CB 4.49Å; L201-F210 HydrophobicContact CB-CD2 4.18Å; L201-F210 PolarHBondContact O-N 2.83Å; F210-D214 HydrophobicContact CB-CB 4.02Å; F210-D214 HydrophobicContact CD1-CB 3.86Å; F210-D214 HydrophobicContact CG-CB 4.45Å; F210-M215 HydrophobicContact CB-CE 4.13Å; F210-L222 HydrophobicContact CD1-CD2 4.38Å; F210-L222 HydrophobicContact CE1-CB 4.4Å; F210-L222 HydrophobicContact CE1-CD1 4.37Å; F210-L222 HydrophobicContact CE1-CD2 4.17Å; F210-L224 HydrophobicContact CZ-CD1 4.46Å; F210-L224 HydrophobicContact CZ-CD2 4.19Å; F210-L230 HydrophobicContact CD2-CD2 4.46Å; F210-L230 HydrophobicContact CE2-CD2 3.68Å; F210-L230 HydrophobicContact CZ-CD2 4.43Å
211S88.1Confident87.3Confident58 Ų5875.8 Ų75.841%0.40638%0.38SS..PPolyproline II helixtrans-78.7174176.568.70000111.7A213 D214 M215S211-A213 VanDerWaalsContact C-N 3.26Å; S211-A213 PolarHBondContact O-N 3.23Å; S211-D214 WeakPolarHBondContact CB-OD2 3.44Å; S211-D214 PolarHBondContact N-OD2 2.81Å; S211-D214 WeakPolarHBondContact O-CB 3.38Å; S211-D214 PolarHBondContact O-N 3.05Å; S211-D214 PolarHBondContact OG-OD2 3.23Å; S211-M215 PolarHBondContact O-N 2.87Å
212E83.9Confident87.2Confident163 Ų16376.6 Ų76.676%0.76238%0.384SS*.Hα-helixtrans-58.3-39.1173.4-168.7162.381.600112.1D214 M215E212-D214 PolarHBondContact O-N 3.38Å; E212-M215 VanDerWaalsContact O-CB 3.27Å; E212-M215 WeakPolarHBondContact O-CB 3.4Å; E212-M215 PolarHBondContact O-N 3.27Å
213A86.2Confident87.1Confident53 Ų5377 Ų7744%0.43840%0.401SS..Hα-helixtrans-69.2-8.7174.800000114.5S211 R217S211-A213 VanDerWaalsContact C-N 3.26Å; S211-A213 PolarHBondContact O-N 3.23Å; A213-R217 PolarHBondContact O-NE 3.25Å; A213-R217 VanDerWaalsContact O-NE 3.1Å
214D89.1Confident87Confident11 Ų1176.6 Ų76.66%0.05940%0.397CS..Hα-helixtrans-91.3-22.5167.5-61.3-74.1000111.9L177 R208 F210 S211 E212 E216 R217 L222L177-D214 HydrophobicContact CD2-CB 4.33Å; R208-D214 IonicContact CZ-OD1 3.23Å; R208-D214 IonicContact NH2-OD1 2.82Å; R208-D214 PolarHBondContact NH2-OD1 3.2Å; F210-D214 HydrophobicContact CB-CB 4.02Å; F210-D214 HydrophobicContact CD1-CB 3.86Å; F210-D214 HydrophobicContact CG-CB 4.45Å; S211-D214 WeakPolarHBondContact CB-OD2 3.44Å; S211-D214 PolarHBondContact N-OD2 2.81Å; S211-D214 WeakPolarHBondContact O-CB 3.38Å; S211-D214 PolarHBondContact O-N 3.05Å; S211-D214 PolarHBondContact OG-OD2 3.23Å; E212-D214 PolarHBondContact O-N 3.38Å; D214-E216 VanDerWaalsContact C-N 3.28Å; D214-E216 PolarHBondContact O-N 3.1Å; D214-R217 PolarHBondContact O-N 3.49Å; D214-L222 HydrophobicContact CB-CD2 4.2Å
215M89.5Confident87.5Confident21 Ų2177 Ų7710%0.10339%0.394CS..Hα-helixtrans-66-32.6-179.2-61.4-65.7162.900112.1L177 A178 R181 L201 F210 S211 E212 R217L177-M215 HydrophobicContact CD2-CE 4.18Å; L177-M215 HydrophobicContact CD2-SD 3.82Å; L177-M215 HydrophobicContact CG-SD 3.92Å; L177-M215 PolarHBondContact N-O 2.81Å; A178-M215 HydrophobicContact CB-CB 4.24Å; A178-M215 WeakPolarHBondContact CB-O 3.2Å; A178-M215 PolarHBondContact N-O 2.89Å; R181-M215 HydrophobicContact CB-SD 4.39Å; L201-M215 HydrophobicContact CB-CE 4.46Å; L201-M215 HydrophobicContact CD1-CE 4.25Å; L201-M215 HydrophobicContact CD1-SD 4.41Å; L201-M215 HydrophobicContact CG-CE 4.44Å; F210-M215 HydrophobicContact CB-CE 4.13Å; S211-M215 PolarHBondContact O-N 2.87Å; E212-M215 VanDerWaalsContact O-CB 3.27Å; E212-M215 WeakPolarHBondContact O-CB 3.4Å; E212-M215 PolarHBondContact O-N 3.27Å; M215-R217 VanDerWaalsContact C-N 3.31Å
216E90Very high88.3Confident140 Ų14070.1 Ų70.165%0.65437%0.37SS*.THydrogen-bonded Turntrans-77.5-13.1178.2-59-175.299.800113.7Q176 D214Q176-E216 WeakPolarHBondContact CG-O 3.42Å; Q176-E216 PolarHBondContact NE2-O 2.87Å; D214-E216 VanDerWaalsContact C-N 3.28Å; D214-E216 PolarHBondContact O-N 3.1Å
217R91.3Very high88.8Confident116 Ų11668.8 Ų68.844%0.43836%0.363SS..SBendtrans-86.5147-176.7-61.5-176.7-167.9-149.20.5111.8Q176 L177 A213 D214 M215 L222Q176-R217 WeakPolarHBondContact CA-O 3.28Å; L177-R217 PolarHBondContact N-O 3.13Å; L177-R217 VanDerWaalsContact N-O 3.11Å; A213-R217 PolarHBondContact O-NE 3.25Å; A213-R217 VanDerWaalsContact O-NE 3.1Å; D214-R217 PolarHBondContact O-N 3.49Å; M215-R217 VanDerWaalsContact C-N 3.31Å; R217-L222 HydrophobicContact CB-CD1 4.33Å; R217-L222 HydrophobicContact CB-CD2 4.05Å; R217-L222 HydrophobicContact CB-CG 4.06Å
218P93.1Very high89.1Confident19 Ų1959.5 Ų59.512%0.12333%0.331CS..BIsolated β-bridgetrans-73.6150.2177.431.1-35000112.2E175 Q220 E221 L222E175-P218 CarbonylContact O-C 3.22Å; E175-P218 WeakPolarHBondContact O-CA 3.33Å; P218-Q220 HydrophobicContact CB-CG 4.27Å; P218-Q220 HydrophobicContact CG-CG 4.16Å; P218-Q220 PolarHBondContact O-N 2.91Å; P218-Q220 VanDerWaalsContact O-N 3.08Å; P218-E221 WeakPolarHBondContact CD-OE1 3.4Å; P218-E221 HydrophobicContact CG-CB 4.07Å; P218-E221 VanDerWaalsContact CG-CD 3.46Å; P218-E221 HydrophobicContact CG-CG 3.77Å; P218-E221 WeakPolarHBondContact CG-OE1 3.19Å; P218-E221 PolarHBondContact O-N 2.74Å; P218-L222 PolarHBondContact O-N 2.97Å
219L90.9Very high89.3Confident0 Ų056.8 Ų56.80%033%0.327CS..THydrogen-bonded Turntrans-55.7-29.4-177.8-64.6176.6000113.5C155 I157 F171 A173 E175 L177 V180 G223 L224 V225C155-L219 HydrophobicContact CB-CB 4.42Å; C155-L219 HydrophobicContact CB-CD1 3.93Å; I157-L219 HydrophobicContact CG1-CD1 4.43Å; F171-L219 HydrophobicContact CB-CD1 3.49Å; F171-L219 VanDerWaalsContact CB-CD1 3.49Å; F171-L219 HydrophobicContact CD2-CD1 4.46Å; F171-L219 HydrophobicContact CG-CD1 4.1Å; A173-L219 PolarHBondContact O-N 3.19Å; E175-L219 WeakPolarHBondContact O-CG 3.13Å; E175-L219 PolarHBondContact O-N 3.4Å; L177-L219 HydrophobicContact CB-CD2 4.4Å; L177-L219 HydrophobicContact CD1-CD2 4.07Å; V180-L219 HydrophobicContact CG2-CD1 4.45Å; V180-L219 HydrophobicContact CG2-CD2 4.04Å; L219-G223 PolarHBondContact O-N 2.87Å; L219-L224 HydrophobicContact CB-CB 4.4Å; L219-L224 HydrophobicContact CD2-CB 4.46Å; L219-L224 HydrophobicContact CD2-CD1 3.55Å; L219-L224 PolarHBondContact O-N 2.98Å; L219-V225 HydrophobicContact CB-CG2 4.46Å
220Q89.8Confident89.4Confident96 Ų9654.1 Ų54.145%0.44931%0.305SS..THydrogen-bonded Turntrans-64.9-41.117472.6-177.414.100113.3A173 P218 L222 G223 V225A173-Q220 HydrophobicContact CB-CB 4.32Å; A173-Q220 WeakPolarHBondContact O-CB 3.4Å; A173-Q220 PolarHBondContact O-N 2.8Å; P218-Q220 HydrophobicContact CB-CG 4.27Å; P218-Q220 HydrophobicContact CG-CG 4.16Å; P218-Q220 PolarHBondContact O-N 2.91Å; P218-Q220 VanDerWaalsContact O-N 3.08Å; Q220-L222 VanDerWaalsContact C-N 3.32Å; Q220-G223 PolarHBondContact O-N 2.86Å; Q220-V225 HydrophobicContact CB-CG2 4.03Å
221E89.8Confident89.5Confident127 Ų12756.6 Ų56.659%0.59332%0.318SS*.THydrogen-bonded Turntrans-75.2-26.6-177.6-76.4174.3-141.100111.9P218 G223P218-E221 WeakPolarHBondContact CD-OE1 3.4Å; P218-E221 HydrophobicContact CG-CB 4.07Å; P218-E221 VanDerWaalsContact CG-CD 3.46Å; P218-E221 HydrophobicContact CG-CG 3.77Å; P218-E221 WeakPolarHBondContact CG-OE1 3.19Å; P218-E221 PolarHBondContact O-N 2.74Å; E221-G223 PolarHBondContact O-N 2.94Å
222L87.5Confident89.5Confident17 Ų1754.1 Ų54.19%0.08930%0.3CS..THydrogen-bonded Turntrans-80.2-3.5173.7-62.2175.6000113.1L177 F210 D214 R217 P218 Q220 L224L177-L222 HydrophobicContact CB-CD1 3.62Å; L177-L222 HydrophobicContact CD1-CD1 4.4Å; L177-L222 HydrophobicContact CD2-CD1 3.86Å; L177-L222 HydrophobicContact CG-CD1 4.16Å; F210-L222 HydrophobicContact CD1-CD2 4.38Å; F210-L222 HydrophobicContact CE1-CB 4.4Å; F210-L222 HydrophobicContact CE1-CD1 4.37Å; F210-L222 HydrophobicContact CE1-CD2 4.17Å; D214-L222 HydrophobicContact CB-CD2 4.2Å; R217-L222 HydrophobicContact CB-CD1 4.33Å; R217-L222 HydrophobicContact CB-CD2 4.05Å; R217-L222 HydrophobicContact CB-CG 4.06Å; P218-L222 PolarHBondContact O-N 2.97Å; Q220-L222 VanDerWaalsContact C-N 3.32Å; L222-L224 VanDerWaalsContact C-N 3.33Å; L222-L224 HydrophobicContact CB-CD1 3.86Å; L222-L224 HydrophobicContact CB-CG 3.95Å; L222-L224 HydrophobicContact CD1-CD1 4.11Å; L222-L224 PolarHBondContact O-N 2.83Å
223G87.1Confident89.6Confident61 Ų6147.9 Ų47.963%0.62928%0.276SS*.THydrogen-bonded Turntrans70.725179.800000114.1L219 Q220 E221L219-G223 PolarHBondContact O-N 2.87Å; Q220-G223 PolarHBondContact O-N 2.86Å; E221-G223 PolarHBondContact O-N 2.94Å
224L89.1Confident89.3Confident9 Ų951.4 Ų51.45%0.04728%0.281CS..  trans-89.7-13.3-177.4-60.4170.7000112.7C155 I157 L177 F210 L219 L222 S227 A228 L230C155-L224 VanDerWaalsContact SG-C 3.53Å; C155-L224 PolarHBondContact SG-O 3.39Å; I157-L224 HydrophobicContact CD1-CB 4.07Å; L177-L224 HydrophobicContact CD1-CD1 4Å; F210-L224 HydrophobicContact CZ-CD1 4.46Å; F210-L224 HydrophobicContact CZ-CD2 4.19Å; L219-L224 HydrophobicContact CB-CB 4.4Å; L219-L224 HydrophobicContact CD2-CB 4.46Å; L219-L224 HydrophobicContact CD2-CD1 3.55Å; L219-L224 PolarHBondContact O-N 2.98Å; L222-L224 VanDerWaalsContact C-N 3.33Å; L222-L224 HydrophobicContact CB-CD1 3.86Å; L222-L224 HydrophobicContact CB-CG 3.95Å; L222-L224 HydrophobicContact CD1-CD1 4.11Å; L222-L224 PolarHBondContact O-N 2.83Å; L224-S227 CarbonylContact O-C 3.59Å; L224-S227 VanDerWaalsContact O-C 3.22Å; L224-S227 PolarHBondContact O-N 3.21Å; L224-A228 HydrophobicContact CB-CB 3.87Å; L224-A228 HydrophobicContact CD2-CB 3.47Å; L224-A228 VanDerWaalsContact CD2-CB 3.47Å; L224-A228 HydrophobicContact CG-CB 4.27Å; L224-A228 PolarHBondContact O-N 3.26Å; L224-L230 HydrophobicContact CD2-CD2 4.1Å
225V89.5Confident88.4Confident37 Ų3756.4 Ų56.422%0.22430%0.303CS..  trans-78.6136.9175.21750000110.1Y152 C155 A173 L219 Q220Y152-V225 VanDerWaalsContact O-CG1 3.27Å; Y152-V225 WeakPolarHBondContact O-CG1 3.32Å; C155-V225 HydrophobicContact CB-CG2 3.98Å; A173-V225 HydrophobicContact CB-CG2 3.75Å; L219-V225 HydrophobicContact CB-CG2 4.46Å; Q220-V225 HydrophobicContact CB-CG2 4.03Å
226P89.2Confident86.6Confident62 Ų6260.4 Ų60.440%0.40333%0.332SS..SBendcis-88.2-14.92.634-35.5000114.7Y152 C155 R156Y152-P226 HydrophobicContact CD1-CB 4.05Å; Y152-P226 HydrophobicContact CD2-CB 3.73Å; Y152-P226 HydrophobicContact CD2-CG 4.04Å; Y152-P226 HydrophobicContact CE1-CB 4.47Å; Y152-P226 HydrophobicContact CE2-CB 4.18Å; Y152-P226 HydrophobicContact CE2-CG 4.07Å; Y152-P226 HydrophobicContact CG-CB 3.66Å; Y152-P226 HydrophobicContact CG-CG 4.44Å; C155-P226 CarbonylContact C-O 3.54Å; C155-P226 WeakPolarHBondContact CA-O 3.41Å; R156-P226 PolarHBondContact N-O 3.42Å
227S90.7Very high84.9Confident73 Ų7359.5 Ų59.551%0.5134%0.338SS..EExtended strand (participates in β ladder)trans-152.5140.4176.2-168.40000111.2R156 L224R156-S227 WeakPolarHBondContact O-CA 3.45Å; R156-S227 WeakPolarHBondContact O-CB 3.46Å; R156-S227 PolarHBondContact O-OG 3.43Å; L224-S227 CarbonylContact O-C 3.59Å; L224-S227 VanDerWaalsContact O-C 3.22Å; L224-S227 PolarHBondContact O-N 3.21Å
228A90.4Very high82.6Confident15 Ų1563.1 Ų63.112%0.12438%0.381CS..EExtended strand (participates in β ladder)trans-142.3157.1176.800000112.3R156 I157 Q158 L224R156-A228 PolarHBondContact O-N 3.2Å; R156-A228 VanDerWaalsContact O-N 3.13Å; I157-A228 WeakPolarHBondContact CA-O 3.42Å; I157-A228 HydrophobicContact CD1-CB 3.88Å; Q158-A228 PolarHBondContact N-O 2.85Å; L224-A228 HydrophobicContact CB-CB 3.87Å; L224-A228 HydrophobicContact CD2-CB 3.47Å; L224-A228 VanDerWaalsContact CD2-CB 3.47Å; L224-A228 HydrophobicContact CG-CB 4.27Å; L224-A228 PolarHBondContact O-N 3.26Å
229V92.1Very high82Confident55 Ų5565.4 Ų65.433%0.33339%0.394SS..EExtended strand (participates in β ladder)trans-112.1122.7173.8-1760000108.5Q158 R160 G204Q158-V229 HydrophobicContact CB-CG2 4.45Å; Q158-V229 CarbonylContact O-C 3.45Å; Q158-V229 WeakPolarHBondContact O-CA 3.13Å; R160-V229 HydrophobicContact CG-CG1 4.35Å; G204-V229 PolarHBondContact N-O 3.06Å
230L92.1Very high81.6Confident0 Ų068.8 Ų68.80%042%0.415CS..EExtended strand (participates in β ladder)trans-110.7151175.3-60.4-175.6000110.4I157 Q158 V159 R160 L177 V180 L201 L202 F210 L224I157-L230 HydrophobicContact CG2-CD1 4.01Å; I157-L230 HydrophobicContact CG2-CG 4.09Å; Q158-L230 PolarHBondContact O-N 3.24Å; V159-L230 CarbonylContact C-O 3.57Å; V159-L230 WeakPolarHBondContact CA-O 3.43Å; R160-L230 PolarHBondContact N-O 3.15Å; L177-L230 HydrophobicContact CD1-CD1 3.95Å; V180-L230 HydrophobicContact CG1-CD1 4.07Å; L201-L230 HydrophobicContact CD1-CD1 4.39Å; L202-L230 CarbonylContact O-C 3.49Å; L202-L230 VanDerWaalsContact O-CA 3.28Å; L202-L230 WeakPolarHBondContact O-CA 3.33Å; F210-L230 HydrophobicContact CD2-CD2 4.46Å; F210-L230 HydrophobicContact CE2-CD2 3.68Å; F210-L230 HydrophobicContact CZ-CD2 4.43Å; L224-L230 HydrophobicContact CD2-CD2 4.1Å
231I90.8Very high81.1Confident56 Ų5667.3 Ų67.329%0.28741%0.413SS..EExtended strand (participates in β ladder)trans-121.5133.4177.7-56.1168.6000107.6R160 L202R160-I231 HydrophobicContact CB-CG1 4.41Å; L202-I231 HydrophobicContact CB-CB 4.26Å; L202-I231 PolarHBondContact N-O 3.09Å; L202-I231 PolarHBondContact O-N 2.76Å
232V88.6Confident80.6Confident6 Ų663.8 Ų63.84%0.03640%0.402CS..EExtended strand (participates in β ladder)trans-93.4119.5177.5176.10000108.9V159 R160 L161 V184 V199 L201V159-V232 HydrophobicContact CG1-CG2 3.36Å; R160-V232 PolarHBondContact O-N 2.76Å; L161-V232 HydrophobicContact CD2-CG2 4.38Å; V184-V232 HydrophobicContact CG1-CG1 4.41Å; V184-V232 HydrophobicContact CG1-CG2 3.78Å; V184-V232 HydrophobicContact CG2-CG2 4.18Å; V199-V232 HydrophobicContact CB-CG1 4.05Å; V199-V232 HydrophobicContact CG1-CG1 4.01Å; L201-V232 HydrophobicContact CD2-CG2 3.86Å
233A85.2Confident80.2Confident31 Ų3166.7 Ų66.726%0.25642%0.422SS..EExtended strand (participates in β ladder)trans-107.8148.516800000110.2Q200 L202Q200-A233 HydrophobicContact CB-CB 4.3Å; Q200-A233 PolarHBondContact N-O 3.44Å; Q200-A233 PolarHBondContact O-N 3.4Å; L202-A233 HydrophobicContact CD1-CB 3.76Å
234K79.2Confident79.7Confident127 Ų12767.1 Ų67.155%0.55241%0.408SS*.EExtended strand (participates in β ladder)trans-71.9136.6165.4-61.4-178.5-178.9-179.10107.9C236K234-C236 PolarHBondContact O-N 2.88Å
235K71.8Confident79Confident116 Ų11671.2 Ų71.250%0.50443%0.434SS..  trans-84.497.3179.2-175.2-177-171.9-179.60107.8D197 P198 Q200 P237D197-K235 PolarHBondContact OD1-N 3.13Å; P198-K235 HydrophobicContact CB-CD 4.24Å; P198-K235 HydrophobicContact CG-CB 4.22Å; P198-K235 HydrophobicContact CG-CD 3.74Å; P198-K235 WeakPolarHBondContact O-CB 3.28Å; Q200-K235 HydrophobicContact CB-CB 4.46Å; K235-P237 WeakPolarHBondContact O-CD 3.02Å
236C50.3Low78.2Confident105 Ų10573.8 Ų73.871%0.70945%0.45SS*.  trans-53124.3176.6-61.30000109.8K234 S238K234-C236 PolarHBondContact O-N 2.88Å; C236-S238 PolarHBondContact O-N 3.26Å
237P55.6Low77.3Confident122 Ų12274.8 Ų74.879%0.79245%0.454SS*.  trans-63.2132.3169.126.9-32.7000108.7K235K235-P237 WeakPolarHBondContact O-CD 3.02Å
238S41.3Very low76.1Confident192 Ų19275 Ų75100%1.34345%0.449SS*.  trans-101.60164.4-61.60000109C236C236-S238 PolarHBondContact O-N 3.26Å

Retrieved 238 of 238 residues in 80.8 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).