A0A096N954_PAPAN Loading...

Wiskott-Aldrich syndrome protein family member

Downstream effector molecule involved in the transmission of signals from tyrosine kinase receptors and small GTPases to the actin cytoskeleton. Promotes formation of actin filaments. Part of the WAVE complex that regulates lamellipodia formation. The WAVE complex regulates actin filament reorganization via its interaction with the Arp2/3 complex.

AlphaFold DB , UniProt , Accession A0A096N954, Species PAPAN (Papio anubis, Olive baboon), Gene WASF3, Length 502 aa.

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

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
1M42.8Very low73.4Confident211 Ų211111.5 Ų111.5100%1.03956%0.555SS**  0133.50-73.8166.661.500108.8L3M1-L3 PolarHBondContact O-N 3.14Å; M1-L3 VanDerWaalsContact O-N 3.08Å
2P53.2Low74.7Confident133 Ų133110.4 Ų110.486%0.86455%0.547SS*.  trans-74.293.3164.831.2-30.4000108.4V4P2-V4 PolarHBondContact O-N 2.63Å
3L57.8Low75.7Confident122 Ų122106 Ų10664%0.63953%0.526SS*.  trans-63.1124.5164.1-74.9161.4000107.3M1 K5M1-L3 PolarHBondContact O-N 3.14Å; M1-L3 VanDerWaalsContact O-N 3.08Å; L3-K5 VanDerWaalsContact C-N 3.33Å; L3-K5 PolarHBondContact O-N 2.88Å
4V62.9Low76.3Confident100 Ų100104.6 Ų104.661%0.60653%0.531SS*.  trans-65.797.8172.2-179.80000106.8P2 R6 N7P2-V4 PolarHBondContact O-N 2.63Å; V4-R6 VanDerWaalsContact C-N 3.27Å; V4-R6 PolarHBondContact O-N 3.12Å; V4-N7 WeakPolarHBondContact CG1-OD1 3.37Å
5K66.8Low76.5Confident119 Ų119111 Ų11152%0.51755%0.546SS..  trans-61.1-37.6-173.2-70.7-173.4176.5-1760111.8L3 P120 V121L3-K5 VanDerWaalsContact C-N 3.33Å; L3-K5 PolarHBondContact O-N 2.88Å; K5-P120 WeakPolarHBondContact O-CB 3.33Å; K5-V121 HydrophobicContact CG-CG2 4.45Å
6R81.9Confident76.7Confident45 Ų45108.4 Ų108.417%0.1756%0.556CS.*  trans-129.1112.8-170.3-70.8179.1156.610013.2109.5V4 H47 D50 E54 P120V4-R6 VanDerWaalsContact C-N 3.27Å; V4-R6 PolarHBondContact O-N 3.12Å; R6-H47 WeakPolarHBondContact CB-ND1 3.35Å; R6-H47 VanDerWaalsContact CG-ND1 3.33Å; R6-H47 WeakPolarHBondContact CG-ND1 3.4Å; R6-D50 IonicContact NH2-OD2 3.56Å; R6-E54 IonicContact CZ-OE1 2.83Å; R6-E54 IonicContact CZ-OE2 2.7Å; R6-E54 IonicContact NH1-OE1 2.78Å; R6-E54 PolarHBondContact NH1-OE1 3.39Å; R6-E54 IonicContact NH1-OE2 3.67Å; R6-E54 PolarHBondContact NH1-OE2 3.12Å; R6-E54 IonicContact NH2-OE1 2.76Å; R6-E54 PolarHBondContact NH2-OE1 3.45Å; R6-E54 IonicContact NH2-OE2 3.66Å; R6-P120 HydrophobicContact CG-CB 3.91Å; R6-P120 HydrophobicContact CG-CG 3.77Å; R6-P120 VanDerWaalsContact CZ-CG 3.43Å
7N85.2Confident77Confident74 Ų74108.1 Ų108.140%0.39657%0.573SS.*  trans-98.9129.6174.5-71.2-41.1000109.3V4 H47V4-N7 WeakPolarHBondContact CG1-OD1 3.37Å; N7-H47 PolarHBondContact O-NE2 2.85Å
8I89.1Confident77.4Confident55 Ų55105.3 Ų105.328%0.28256%0.559SS.*  trans-87.9130.4175.3-42.7-56.2000109.2Q40 L44 H47I8-Q40 HydrophobicContact CG2-CG 3.51Å; I8-Q40 VanDerWaalsContact CG2-O 3.3Å; I8-Q40 WeakPolarHBondContact CG2-O 3.42Å; I8-L44 HydrophobicContact CD1-CD1 3.99Å; I8-L44 HydrophobicContact CG2-CB 4.35Å; I8-H47 HydrophobicContact CD1-CB 4.47Å; I8-H47 VanDerWaalsContact CD1-CD2 3.46Å; I8-H47 WeakPolarHBondContact CD1-CD2 3.35Å
9E89.1Confident77.7Confident122 Ų122104.5 Ų104.557%0.5756%0.56SS**SBendtrans-121.6138.9-177.4-64.5-170.417200112.2R39 Q40 S43E9-R39 CarbonylContact O-C 3.56Å; E9-Q40 WeakPolarHBondContact O-CA 3.27Å; E9-S43 PolarHBondContact N-OG 3.2Å; E9-S43 WeakPolarHBondContact O-CB 3.5Å
10P91.1Very high78.1Confident37 Ų37109.3 Ų109.324%0.2458%0.579CS.*  cis-75.4144.9-0.830.9-35.5000112.8L13 A36 R39 Q40P10-L13 HydrophobicContact CG-CD2 4.39Å; P10-A36 WeakPolarHBondContact CD-O 2.97Å; P10-A36 HydrophobicContact CG-CB 3.93Å; P10-A36 WeakPolarHBondContact CG-O 3.44Å; P10-R39 HydrophobicContact CG-CB 4.45Å; P10-Q40 PolarHBondContact O-NE2 2.89Å
11R87.1Confident78.4Confident208 Ų208108 Ų10879%0.78559%0.591SS**SBendtrans-76.3-24.6177.4-172.1172.9-178.31771.8113.6
12H89.3Confident80.4Confident99 Ų99100.4 Ų100.446%0.45855%0.554SS.*  trans-120.8127.2177.9-53.3109.8000109.2R15H12-R15 HydrophobicContact CB-CB 3.93Å; H12-R15 HydrophobicContact CB-CG 4.07Å; H12-R15 PolarHBondContact NE2-NH1 3.12Å
13L87.4Confident81.9Confident53 Ų53101.2 Ų101.228%0.27756%0.557SS.*SBendtrans-91.8-27.9-173.9-58.2174.1000113.7P10 T33 A36 I37 Q40P10-L13 HydrophobicContact CG-CD2 4.39Å; L13-T33 HydrophobicContact CB-CG2 4.23Å; L13-A36 HydrophobicContact CB-CB 4.32Å; L13-A36 HydrophobicContact CD2-CB 3.8Å; L13-I37 HydrophobicContact CD1-CD1 4.37Å; L13-I37 HydrophobicContact CD1-CG1 3.73Å; L13-I37 HydrophobicContact CD2-CG1 4.04Å; L13-I37 HydrophobicContact CG-CG1 4.42Å; L13-Q40 HydrophobicContact CD2-CB 4.4Å
14C84.1Confident83.4Confident87 Ų8797.5 Ų97.559%0.58854%0.542SS*.SBendtrans-12818.1-171.6-36.90000113.1T33C14-T33 PolarHBondContact SG-OG1 3.37Å
15R80.3Confident84.7Confident200 Ų20098.9 Ų98.976%0.75554%0.541SS*.  trans-97.4101.3179-75.9-170.5172.5176.4-11.3110.7H12H12-R15 HydrophobicContact CB-CB 3.93Å; H12-R15 HydrophobicContact CB-CG 4.07Å; H12-R15 PolarHBondContact NE2-NH1 3.12Å
16G78.8Confident85.8Confident69 Ų6999.6 Ų99.671%0.71155%0.55SS**SBendtrans-174.2155.9172.400000110.4
17A81.5Confident86.3Confident103 Ų103103.8 Ų103.885%0.85157%0.572SS**PPolyproline II helixtrans-74.9143.1165.700000109.2
18L84.3Confident86.5Confident59 Ų59101.9 Ų101.931%0.30956%0.564SS.*PPolyproline II helixtrans-76.9141.7172.2-72.9177.8000110.2I22 E25 C28 V29L18-I22 HydrophobicContact CB-CD1 3.98Å; L18-I22 HydrophobicContact CD2-CD1 4.29Å; L18-E25 HydrophobicContact CD1-CB 3.68Å; L18-E25 HydrophobicContact CD1-CG 3.88Å; L18-C28 HydrophobicContact CD2-CB 4.2Å; L18-V29 HydrophobicContact CD1-CG2 3.91Å; L18-V29 HydrophobicContact CD2-CG2 3.83Å; L18-V29 HydrophobicContact CG-CG2 4.22Å
19P84Confident86.6Confident90 Ų90102 Ų10258%0.58457%0.566SS**PPolyproline II helixtrans-51.6145166.8-27.130.7000113.1I22P19-I22 HydrophobicContact CB-CD1 3.96Å; P19-I22 HydrophobicContact CB-CG1 4.28Å; P19-I22 HydrophobicContact CG-CD1 4.18Å; P19-I22 WeakPolarHBondContact O-CD1 3.46Å; P19-I22 WeakPolarHBondContact O-CG1 3.38Å
20E84.9Confident86.8Confident200 Ų20099.6 Ų99.694%0.93556%0.56SS**THydrogen-bonded Turntrans-70.7143.9175.5-64.3-179.8-175.300111.3
21G84.6Confident86.8Confident81 Ų81103.1 Ų103.184%0.83558%0.577SS**THydrogen-bonded Turntrans87.113.8175.100000116.5
22I85.6Confident87Confident52 Ų5296.2 Ų96.227%0.26756%0.561SS.*  trans-75.4134.8175.9-57.4161.5000110.6L18 P19 C28L18-I22 HydrophobicContact CB-CD1 3.98Å; L18-I22 HydrophobicContact CD2-CD1 4.29Å; P19-I22 HydrophobicContact CB-CD1 3.96Å; P19-I22 HydrophobicContact CB-CG1 4.28Å; P19-I22 HydrophobicContact CG-CD1 4.18Å; P19-I22 WeakPolarHBondContact O-CD1 3.46Å; P19-I22 WeakPolarHBondContact O-CG1 3.38Å; I22-C28 HydrophobicContact CD1-CB 4.17Å; I22-C28 HydrophobicContact CG2-CB 4.1Å
23T84Confident87.3Confident150 Ų15092.7 Ų92.792%0.9255%0.547SS*.SBendtrans-80.8-28.8177.252.20000114
24S88.8Confident87.6Confident45 Ų4594.6 Ų94.632%0.31556%0.556SS.*  trans-130.480.4-176.3-172.10000110.1L26 E27 C28S24-L26 VanDerWaalsContact C-N 3.34Å; S24-L26 PolarHBondContact O-N 3.08Å; S24-E27 WeakPolarHBondContact CB-OE2 3.43Å; S24-E27 PolarHBondContact O-N 3.26Å; S24-E27 WeakPolarHBondContact OG-CB 3.34Å; S24-E27 PolarHBondContact OG-OE2 3.16Å; S24-C28 PolarHBondContact O-N 3.42Å; S24-C28 VanDerWaalsContact O-N 3.11Å
25E90.6Very high88.1Confident129 Ų12992.3 Ų92.360%0.60354%0.544SS*.Hα-helixtrans-58.1-43.8-177.8-69.4-173.9176.300112.5L18 E27 C28 V29L18-E25 HydrophobicContact CD1-CB 3.68Å; L18-E25 HydrophobicContact CD1-CG 3.88Å; E25-E27 PolarHBondContact O-N 3.43Å; E25-C28 WeakPolarHBondContact O-CB 3.48Å; E25-C28 PolarHBondContact O-N 2.82Å; E25-V29 WeakPolarHBondContact O-CG2 3.42Å; E25-V29 PolarHBondContact O-N 3.31Å
26L91Very high88.8Confident134 Ų13483.3 Ų83.370%0.70251%0.512SS*.Hα-helixtrans-63.6-39-178.4179.461.1000112.7S24 V29 T30S24-L26 VanDerWaalsContact C-N 3.34Å; S24-L26 PolarHBondContact O-N 3.08Å; L26-V29 PolarHBondContact O-N 2.68Å; L26-T30 WeakPolarHBondContact O-CB 3.21Å; L26-T30 PolarHBondContact O-N 3.41Å; L26-T30 PolarHBondContact O-OG1 3.44Å
27E90.9Very high89.7Confident133 Ų13382.8 Ų82.862%0.62149%0.492SS*.Hα-helixtrans-67.9-40.5175.8-174.8180176.700110.9S24 E25 T30 N31S24-E27 WeakPolarHBondContact CB-OE2 3.43Å; S24-E27 PolarHBondContact O-N 3.26Å; S24-E27 WeakPolarHBondContact OG-CB 3.34Å; S24-E27 PolarHBondContact OG-OE2 3.16Å; E25-E27 PolarHBondContact O-N 3.43Å; E27-T30 PolarHBondContact O-N 3.16Å; E27-N31 VanDerWaalsContact O-CB 3.31Å; E27-N31 WeakPolarHBondContact O-CB 3.37Å; E27-N31 PolarHBondContact O-N 3.34Å
28C89.5Confident90.4Very high34 Ų3483.4 Ų83.423%0.2348%0.48CS..Hα-helixtrans-62-44.8174.3-170.80000112L18 I22 S24 E25 S32L18-C28 HydrophobicContact CD2-CB 4.2Å; I22-C28 HydrophobicContact CD1-CB 4.17Å; I22-C28 HydrophobicContact CG2-CB 4.1Å; S24-C28 PolarHBondContact O-N 3.42Å; S24-C28 VanDerWaalsContact O-N 3.11Å; E25-C28 WeakPolarHBondContact O-CB 3.48Å; E25-C28 PolarHBondContact O-N 2.82Å; C28-S32 VanDerWaalsContact O-CB 3.22Å; C28-S32 WeakPolarHBondContact O-CB 3.44Å; C28-S32 PolarHBondContact O-N 3.26Å; C28-S32 PolarHBondContact O-OG 3.08Å
29V91.9Very high90.9Very high56 Ų5688.8 Ų88.834%0.33950%0.496SS..Hα-helixtrans-61-50.6173.91750000110.3L18 E25 L26 N31 S32 T33L18-V29 HydrophobicContact CD1-CG2 3.91Å; L18-V29 HydrophobicContact CD2-CG2 3.83Å; L18-V29 HydrophobicContact CG-CG2 4.22Å; E25-V29 WeakPolarHBondContact O-CG2 3.42Å; E25-V29 PolarHBondContact O-N 3.31Å; L26-V29 PolarHBondContact O-N 2.68Å; V29-N31 PolarHBondContact O-N 3.11Å; V29-S32 PolarHBondContact O-N 3.43Å; V29-T33 WeakPolarHBondContact O-CB 3.35Å; V29-T33 PolarHBondContact O-N 2.92Å; V29-T33 PolarHBondContact O-OG1 3.21Å
30T92.3Very high91.5Very high72 Ų7287.3 Ų87.344%0.44248%0.482SS..Hα-helixtrans-57.8-48.8-179-60.10000111.6L26 E27 T33 L34L26-T30 WeakPolarHBondContact O-CB 3.21Å; L26-T30 PolarHBondContact O-N 3.41Å; L26-T30 PolarHBondContact O-OG1 3.44Å; E27-T30 PolarHBondContact O-N 3.16Å; T30-T33 PolarHBondContact O-N 3.17Å; T30-L34 HydrophobicContact CG2-CD1 4.15Å; T30-L34 WeakPolarHBondContact O-CG 3.46Å; T30-L34 PolarHBondContact O-N 2.79Å
31N92.4Very high92Very high112 Ų11282.5 Ų82.560%0.59946%0.462SS*.Hα-helixtrans-65.8-40.3179.2-169.832000112E27 V29 T33 L34 A35E27-N31 VanDerWaalsContact O-CB 3.31Å; E27-N31 WeakPolarHBondContact O-CB 3.37Å; E27-N31 PolarHBondContact O-N 3.34Å; V29-N31 PolarHBondContact O-N 3.11Å; N31-T33 PolarHBondContact O-N 3.23Å; N31-L34 PolarHBondContact O-N 3.41Å; N31-A35 WeakPolarHBondContact O-CB 3.21Å; N31-A35 PolarHBondContact O-N 2.87Å
32S91.4Very high92.6Very high63 Ų6382.5 Ų82.544%0.44145%0.449SS..Hα-helixtrans-63.5-40.3174.8-60.30000112.1C28 V29 A35 A36C28-S32 VanDerWaalsContact O-CB 3.22Å; C28-S32 WeakPolarHBondContact O-CB 3.44Å; C28-S32 PolarHBondContact O-N 3.26Å; C28-S32 PolarHBondContact O-OG 3.08Å; V29-S32 PolarHBondContact O-N 3.43Å; S32-A35 PolarHBondContact O-N 2.92Å; S32-A36 WeakPolarHBondContact O-CB 3.35Å; S32-A36 PolarHBondContact O-N 3.3Å
33T93.9Very high93Very high25 Ų2581 Ų8115%0.15344%0.444CS..Hα-helixtrans-64.7-43.9174.5-64.10000111.6L13 C14 V29 T30 N31 A36 I37L13-T33 HydrophobicContact CB-CG2 4.23Å; C14-T33 PolarHBondContact SG-OG1 3.37Å; V29-T33 WeakPolarHBondContact O-CB 3.35Å; V29-T33 PolarHBondContact O-N 2.92Å; V29-T33 PolarHBondContact O-OG1 3.21Å; T30-T33 PolarHBondContact O-N 3.17Å; N31-T33 PolarHBondContact O-N 3.23Å; T33-A36 WeakPolarHBondContact O-CB 3.49Å; T33-A36 PolarHBondContact O-N 3.3Å; T33-I37 HydrophobicContact CG2-CD1 4.01Å; T33-I37 VanDerWaalsContact O-CG1 3.29Å; T33-I37 WeakPolarHBondContact O-CG1 3.47Å; T33-I37 PolarHBondContact O-N 3.2Å
34L95.7Very high93.6Very high92 Ų9278.2 Ų78.248%0.48242%0.422SS..Hα-helixtrans-62.4-44.6175.1-71.8170.8000111.7T30 N31 A36 I37 I38T30-L34 HydrophobicContact CG2-CD1 4.15Å; T30-L34 WeakPolarHBondContact O-CG 3.46Å; T30-L34 PolarHBondContact O-N 2.79Å; N31-L34 PolarHBondContact O-N 3.41Å; L34-A36 VanDerWaalsContact C-N 3.31Å; L34-A36 PolarHBondContact O-N 3.45Å; L34-I37 PolarHBondContact O-N 3.42Å; L34-I38 WeakPolarHBondContact O-CG1 3.3Å; L34-I38 PolarHBondContact O-N 3.12Å
35A94.4Very high93.9Very high39 Ų3979.8 Ų79.832%0.32243%0.433SS..Hα-helixtrans-61.6-37.8174.200000112.3N31 S32 I38 R39N31-A35 WeakPolarHBondContact O-CB 3.21Å; N31-A35 PolarHBondContact O-N 2.87Å; S32-A35 PolarHBondContact O-N 2.92Å; A35-I38 PolarHBondContact O-N 2.89Å; A35-R39 WeakPolarHBondContact O-CG 3.22Å; A35-R39 PolarHBondContact O-N 2.95Å; A35-R39 VanDerWaalsContact O-N 3.09Å
36A94.8Very high94Very high11 Ų1178.2 Ų78.29%0.09142%0.424CS..Hα-helixtrans-66.6-39.9173.900000112.3P10 L13 S32 T33 L34 R39 Q40P10-A36 WeakPolarHBondContact CD-O 2.97Å; P10-A36 HydrophobicContact CG-CB 3.93Å; P10-A36 WeakPolarHBondContact CG-O 3.44Å; L13-A36 HydrophobicContact CB-CB 4.32Å; L13-A36 HydrophobicContact CD2-CB 3.8Å; S32-A36 WeakPolarHBondContact O-CB 3.35Å; S32-A36 PolarHBondContact O-N 3.3Å; T33-A36 WeakPolarHBondContact O-CB 3.49Å; T33-A36 PolarHBondContact O-N 3.3Å; L34-A36 VanDerWaalsContact C-N 3.31Å; L34-A36 PolarHBondContact O-N 3.45Å; A36-R39 PolarHBondContact O-N 2.97Å; A36-Q40 WeakPolarHBondContact O-CB 3.4Å; A36-Q40 PolarHBondContact O-N 3.25Å
37I96.4Very high94.1Very high58 Ų5872.9 Ų72.930%0.29740%0.396SS..Hα-helixtrans-62.9-44.2174.3-69.9163.6000110.7L13 T33 L34 R39 Q40 L41L13-I37 HydrophobicContact CD1-CD1 4.37Å; L13-I37 HydrophobicContact CD1-CG1 3.73Å; L13-I37 HydrophobicContact CD2-CG1 4.04Å; L13-I37 HydrophobicContact CG-CG1 4.42Å; T33-I37 HydrophobicContact CG2-CD1 4.01Å; T33-I37 VanDerWaalsContact O-CG1 3.29Å; T33-I37 WeakPolarHBondContact O-CG1 3.47Å; T33-I37 PolarHBondContact O-N 3.2Å; L34-I37 PolarHBondContact O-N 3.42Å; I37-R39 VanDerWaalsContact C-N 3.33Å; I37-R39 PolarHBondContact O-N 2.79Å; I37-Q40 WeakPolarHBondContact O-CB 3.42Å; I37-Q40 PolarHBondContact O-N 3.22Å; I37-Q40 VanDerWaalsContact O-N 3.1Å; I37-L41 HydrophobicContact CG2-CD1 4.15Å; I37-L41 HydrophobicContact CG2-CG 4.45Å; I37-L41 WeakPolarHBondContact O-CG 3.5Å; I37-L41 PolarHBondContact O-N 3.45Å
38I96.5Very high94.3Very high116 Ų11668.1 Ų68.160%0.59538%0.38SS*.Hα-helixtrans-60.8-43177.4-67.9164.1000110.9L34 A35 Q40 L41 S42L34-I38 WeakPolarHBondContact O-CG1 3.3Å; L34-I38 PolarHBondContact O-N 3.12Å; A35-I38 PolarHBondContact O-N 2.89Å; I38-Q40 VanDerWaalsContact C-N 3.34Å; I38-L41 PolarHBondContact O-N 3.09Å; I38-S42 PolarHBondContact O-N 3.28Å
39R95.7Very high94.5Very high173 Ų17373.4 Ų73.465%0.65340%0.401SS*.Hα-helixtrans-62.4-40.8173.1-70.8172.5-179.4168.31.1112E9 P10 A35 A36 I37 L41 S42 S43E9-R39 CarbonylContact O-C 3.56Å; P10-R39 HydrophobicContact CG-CB 4.45Å; A35-R39 WeakPolarHBondContact O-CG 3.22Å; A35-R39 PolarHBondContact O-N 2.95Å; A35-R39 VanDerWaalsContact O-N 3.09Å; A36-R39 PolarHBondContact O-N 2.97Å; I37-R39 VanDerWaalsContact C-N 3.33Å; I37-R39 PolarHBondContact O-N 2.79Å; R39-L41 PolarHBondContact O-N 2.87Å; R39-S42 WeakPolarHBondContact O-CB 3.41Å; R39-S42 PolarHBondContact O-N 2.92Å; R39-S43 PolarHBondContact O-N 3.08Å
40Q95.5Very high94.5Very high58 Ų5872.4 Ų72.427%0.27139%0.394SS..Hα-helixtrans-63.9-40.9178.4-163.5178.971.200111.9I8 E9 P10 L13 A36 I37 I38 S43 L44I8-Q40 HydrophobicContact CG2-CG 3.51Å; I8-Q40 VanDerWaalsContact CG2-O 3.3Å; I8-Q40 WeakPolarHBondContact CG2-O 3.42Å; E9-Q40 WeakPolarHBondContact O-CA 3.27Å; P10-Q40 PolarHBondContact O-NE2 2.89Å; L13-Q40 HydrophobicContact CD2-CB 4.4Å; A36-Q40 WeakPolarHBondContact O-CB 3.4Å; A36-Q40 PolarHBondContact O-N 3.25Å; I37-Q40 WeakPolarHBondContact O-CB 3.42Å; I37-Q40 PolarHBondContact O-N 3.22Å; I37-Q40 VanDerWaalsContact O-N 3.1Å; I38-Q40 VanDerWaalsContact C-N 3.34Å; Q40-S43 PolarHBondContact O-N 3.14Å; Q40-L44 WeakPolarHBondContact O-CB 3.21Å; Q40-L44 PolarHBondContact O-N 3.07Å
41L96.8Very high94.6Very high99 Ų9972.2 Ų72.252%0.51839%0.389SS..Hα-helixtrans-65.3-41172.9-69.2172.7000111.8I37 I38 R39 L44 S45I37-L41 HydrophobicContact CG2-CD1 4.15Å; I37-L41 HydrophobicContact CG2-CG 4.45Å; I37-L41 WeakPolarHBondContact O-CG 3.5Å; I37-L41 PolarHBondContact O-N 3.45Å; I38-L41 PolarHBondContact O-N 3.09Å; R39-L41 PolarHBondContact O-N 2.87Å; L41-L44 WeakPolarHBondContact O-CB 3.36Å; L41-L44 PolarHBondContact O-N 3.48Å; L41-S45 PolarHBondContact O-N 2.97Å; L41-S45 PolarHBondContact O-OG 3.2Å
42S96.8Very high94.8Very high81 Ų8173.7 Ų73.757%0.56639%0.39SS*.Hα-helixtrans-62.1-42.2174.3174.30000112.4I38 R39 S45 K46I38-S42 PolarHBondContact O-N 3.28Å; R39-S42 WeakPolarHBondContact O-CB 3.41Å; R39-S42 PolarHBondContact O-N 2.92Å; S42-S45 PolarHBondContact O-N 3.48Å; S42-K46 PolarHBondContact O-N 3.26Å; S42-K46 VanDerWaalsContact O-N 3.09Å
43S94.1Very high95Very high22 Ų2272 Ų7215%0.15438%0.383CS..Hα-helixtrans-61.3-44173.11800000111.4E9 R39 Q40 S45 K46 H47E9-S43 PolarHBondContact N-OG 3.2Å; E9-S43 WeakPolarHBondContact O-CB 3.5Å; R39-S43 PolarHBondContact O-N 3.08Å; Q40-S43 PolarHBondContact O-N 3.14Å; S43-S45 PolarHBondContact O-N 3.27Å; S43-K46 PolarHBondContact O-N 2.82Å; S43-H47 PolarHBondContact O-CD2 2.97Å; S43-H47 PolarHBondContact O-N 3.22Å; S43-H47 VanDerWaalsContact O-N 3.12Å
44L95.1Very high95Very high90 Ų9074.6 Ų74.647%0.47139%0.393SS..Hα-helixtrans-61.2-40.6174.9-179.363.2000112.4I8 Q40 L41 H47 A48I8-L44 HydrophobicContact CD1-CD1 3.99Å; I8-L44 HydrophobicContact CG2-CB 4.35Å; Q40-L44 WeakPolarHBondContact O-CB 3.21Å; Q40-L44 PolarHBondContact O-N 3.07Å; L41-L44 WeakPolarHBondContact O-CB 3.36Å; L41-L44 PolarHBondContact O-N 3.48Å; L44-H47 PolarHBondContact O-N 3.21Å; L44-A48 WeakPolarHBondContact O-CB 3.37Å; L44-A48 PolarHBondContact O-N 2.83Å
45S96.6Very high95Very high79 Ų7975 Ų7555%0.55240%0.396SS*.Hα-helixtrans-61.7-44.6175.4-65.90000112.4L41 S42 S43 H47 A48 E49L41-S45 PolarHBondContact O-N 2.97Å; L41-S45 PolarHBondContact O-OG 3.2Å; S42-S45 PolarHBondContact O-N 3.48Å; S43-S45 PolarHBondContact O-N 3.27Å; S45-H47 VanDerWaalsContact C-N 3.33Å; S45-H47 PolarHBondContact O-N 2.96Å; S45-A48 PolarHBondContact O-N 3.48Å; S45-E49 PolarHBondContact O-N 3.49Å
46K92.8Very high95.2Very high95 Ų9579.6 Ų79.641%0.41341%0.409SS..Hα-helixtrans-56.3-48.8173.1-178.2-167.2168.2-170.50110.7S42 S43 A48 E49 D50 D123S42-K46 PolarHBondContact O-N 3.26Å; S42-K46 VanDerWaalsContact O-N 3.09Å; S43-K46 PolarHBondContact O-N 2.82Å; K46-A48 VanDerWaalsContact C-N 3.3Å; K46-A48 PolarHBondContact O-N 3.39Å; K46-E49 WeakPolarHBondContact O-CB 3.5Å; K46-E49 PolarHBondContact O-N 3.49Å; K46-D50 PolarHBondContact O-N 2.83Å; K46-D123 IonicContact NZ-OD2 2.87Å; K46-D123 PolarHBondContact NZ-OD2 2.81Å
47H91.9Very high95.3Very high22 Ų2283.4 Ų83.410%0.10243%0.427CS..Hα-helixtrans-64.7-33.8-179-74.6-59.2000113.2R6 N7 I8 S43 L44 S45 I51R6-H47 WeakPolarHBondContact CB-ND1 3.35Å; R6-H47 VanDerWaalsContact CG-ND1 3.33Å; R6-H47 WeakPolarHBondContact CG-ND1 3.4Å; N7-H47 PolarHBondContact O-NE2 2.85Å; I8-H47 HydrophobicContact CD1-CB 4.47Å; I8-H47 VanDerWaalsContact CD1-CD2 3.46Å; I8-H47 WeakPolarHBondContact CD1-CD2 3.35Å; S43-H47 PolarHBondContact O-CD2 2.97Å; S43-H47 PolarHBondContact O-N 3.22Å; S43-H47 VanDerWaalsContact O-N 3.12Å; L44-H47 PolarHBondContact O-N 3.21Å; S45-H47 VanDerWaalsContact C-N 3.33Å; S45-H47 PolarHBondContact O-N 2.96Å; H47-I51 WeakPolarHBondContact O-CD1 3.23Å; H47-I51 VanDerWaalsContact O-CG1 3.23Å; H47-I51 WeakPolarHBondContact O-CG1 3.36Å; H47-I51 PolarHBondContact O-N 3.03Å
48A94.8Very high95.4Very high34 Ų3487.5 Ų87.528%0.28145%0.445SS..Hα-helixtrans-69.2-43.9173.900000111.6L44 S45 K46 D50 I51 F52L44-A48 WeakPolarHBondContact O-CB 3.37Å; L44-A48 PolarHBondContact O-N 2.83Å; S45-A48 PolarHBondContact O-N 3.48Å; K46-A48 VanDerWaalsContact C-N 3.3Å; K46-A48 PolarHBondContact O-N 3.39Å; A48-D50 PolarHBondContact O-N 3.28Å; A48-I51 PolarHBondContact O-N 3.26Å; A48-F52 HydrophobicContact CB-CD2 4.49Å; A48-F52 HydrophobicContact CB-CE2 4.37Å; A48-F52 WeakPolarHBondContact O-CD2 3.28Å; A48-F52 PolarHBondContact O-N 3.42Å
49E94.7Very high95.4Very high144 Ų14484.8 Ų84.867%0.67344%0.44SS*.Hα-helixtrans-56-48.7173.7-176.7-179.3176.500111.2S45 K46 I51 F52 G53S45-E49 PolarHBondContact O-N 3.49Å; K46-E49 WeakPolarHBondContact O-CB 3.5Å; K46-E49 PolarHBondContact O-N 3.49Å; E49-I51 VanDerWaalsContact C-N 3.33Å; E49-I51 PolarHBondContact O-N 3.46Å; E49-F52 PolarHBondContact O-N 3.4Å; E49-G53 PolarHBondContact O-N 2.93Å
50D92.1Very high95.6Very high36 Ų3679.4 Ų79.419%0.19342%0.424CS..Hα-helixtrans-59.9-41.6177.8-64-31.2000112.2R6 K46 A48 G53 E54R6-D50 IonicContact NH2-OD2 3.56Å; K46-D50 PolarHBondContact O-N 2.83Å; A48-D50 PolarHBondContact O-N 3.28Å; D50-G53 PolarHBondContact O-N 3.35Å; D50-E54 WeakPolarHBondContact O-CB 3.47Å; D50-E54 WeakPolarHBondContact O-CG 3.5Å; D50-E54 PolarHBondContact O-N 2.78Å
51I93.4Very high95.7Very high68 Ų6881.2 Ų81.235%0.34944%0.436SS..Hα-helixtrans-65.3-47.3179.4-70.8164.5000110.7H47 A48 E49 G53 E54 L55H47-I51 WeakPolarHBondContact O-CD1 3.23Å; H47-I51 VanDerWaalsContact O-CG1 3.23Å; H47-I51 WeakPolarHBondContact O-CG1 3.36Å; H47-I51 PolarHBondContact O-N 3.03Å; A48-I51 PolarHBondContact O-N 3.26Å; E49-I51 VanDerWaalsContact C-N 3.33Å; E49-I51 PolarHBondContact O-N 3.46Å; I51-G53 VanDerWaalsContact C-N 3.3Å; I51-G53 PolarHBondContact O-N 3.06Å; I51-E54 PolarHBondContact O-N 2.98Å; I51-L55 HydrophobicContact CG2-CD1 4.07Å; I51-L55 WeakPolarHBondContact O-CG 3.3Å; I51-L55 PolarHBondContact O-N 3.4Å
52F96.9Very high95.8Very high142 Ų14283.4 Ų83.462%0.62344%0.441SS*.Hα-helixtrans-68.5-31.8178.2-69.2-57.9000111.9A48 E49 F56A48-F52 HydrophobicContact CB-CD2 4.49Å; A48-F52 HydrophobicContact CB-CE2 4.37Å; A48-F52 WeakPolarHBondContact O-CD2 3.28Å; A48-F52 PolarHBondContact O-N 3.42Å; E49-F52 PolarHBondContact O-N 3.4Å; F52-F56 WeakPolarHBondContact O-CB 3.39Å; F52-F56 PolarHBondContact O-N 2.83Å
53G95.9Very high95.9Very high27 Ų2786.2 Ų86.228%0.27844%0.441SS..Hα-helixtrans-65.8-45.4171.700000113.1E49 D50 I51 F56 N57E49-G53 PolarHBondContact O-N 2.93Å; D50-G53 PolarHBondContact O-N 3.35Å; I51-G53 VanDerWaalsContact C-N 3.3Å; I51-G53 PolarHBondContact O-N 3.06Å; G53-F56 PolarHBondContact O-N 2.86Å; G53-N57 WeakPolarHBondContact O-CB 3.42Å; G53-N57 VanDerWaalsContact O-CG 3.3Å; G53-N57 PolarHBondContact O-N 3.4Å; G53-N57 PolarHBondContact O-ND2 3.02Å
54E93.7Very high96.1Very high80 Ų8089.7 Ų89.737%0.37446%0.457SS..Hα-helixtrans-55.6-52.2172.7-78.3166.8-161.300110.6R6 D50 I51 N57 E58R6-E54 IonicContact CZ-OE1 2.83Å; R6-E54 IonicContact CZ-OE2 2.7Å; R6-E54 IonicContact NH1-OE1 2.78Å; R6-E54 PolarHBondContact NH1-OE1 3.39Å; R6-E54 IonicContact NH1-OE2 3.67Å; R6-E54 PolarHBondContact NH1-OE2 3.12Å; R6-E54 IonicContact NH2-OE1 2.76Å; R6-E54 PolarHBondContact NH2-OE1 3.45Å; R6-E54 IonicContact NH2-OE2 3.66Å; D50-E54 WeakPolarHBondContact O-CB 3.47Å; D50-E54 WeakPolarHBondContact O-CG 3.5Å; D50-E54 PolarHBondContact O-N 2.78Å; I51-E54 PolarHBondContact O-N 2.98Å; E54-N57 PolarHBondContact O-N 2.94Å; E54-E58 PolarHBondContact O-N 3.08Å; E54-E58 VanDerWaalsContact O-N 3.12Å
55L96.9Very high96.2Very high102 Ų10294.4 Ų94.453%0.53447%0.468SS..Hα-helixtrans-64.2-42.1179.5-68.9171.1000113.1I51 E58 A59I51-L55 HydrophobicContact CG2-CD1 4.07Å; I51-L55 WeakPolarHBondContact O-CG 3.3Å; I51-L55 PolarHBondContact O-N 3.4Å; L55-E58 PolarHBondContact O-N 3.44Å; L55-A59 VanDerWaalsContact O-CB 3.3Å; L55-A59 WeakPolarHBondContact O-CB 3.46Å; L55-A59 PolarHBondContact O-N 2.83Å
56F98.1Very high96.3Very high135 Ų13592.4 Ų92.459%0.59246%0.456SS*.Hα-helixtrans-62-44.4177.4172.6-95.5000111.4F52 G53 E58 A59 N60F52-F56 WeakPolarHBondContact O-CB 3.39Å; F52-F56 PolarHBondContact O-N 2.83Å; G53-F56 PolarHBondContact O-N 2.86Å; F56-E58 PolarHBondContact O-N 2.92Å; F56-A59 PolarHBondContact O-N 2.89Å; F56-N60 VanDerWaalsContact O-CB 3.23Å; F56-N60 WeakPolarHBondContact O-CB 3.14Å; F56-N60 PolarHBondContact O-N 3.07Å
57N97Very high96.6Very high90 Ų9091 Ų9148%0.48145%0.453SS..Hα-helixtrans-63.7-41.6178.6-76.4-48.2000111.7G53 E54 N61G53-N57 WeakPolarHBondContact O-CB 3.42Å; G53-N57 VanDerWaalsContact O-CG 3.3Å; G53-N57 PolarHBondContact O-N 3.4Å; G53-N57 PolarHBondContact O-ND2 3.02Å; E54-N57 PolarHBondContact O-N 2.94Å; N57-N61 WeakPolarHBondContact O-CB 3.46Å; N57-N61 PolarHBondContact O-N 3.42Å; N57-N61 PolarHBondContact O-ND2 3.2Å
58E97.3Very high96.9Very high144 Ų14493 Ų9367%0.67347%0.47SS*.Hα-helixtrans-65.6-46.3175.7-172.1169.5-165.500111.8E54 L55 F56 N60 N61 F62E54-E58 PolarHBondContact O-N 3.08Å; E54-E58 VanDerWaalsContact O-N 3.12Å; L55-E58 PolarHBondContact O-N 3.44Å; F56-E58 PolarHBondContact O-N 2.92Å; E58-N60 VanDerWaalsContact C-N 3.35Å; E58-N60 PolarHBondContact O-N 3.14Å; E58-N61 PolarHBondContact O-N 3.37Å; E58-F62 PolarHBondContact O-N 3.1Å
59A98.4Very high97.1Very high59 Ų5995.8 Ų95.849%0.48848%0.48SS..Hα-helixtrans-61.9-39176.800000112.7L55 F56 F62 Y63L55-A59 VanDerWaalsContact O-CB 3.3Å; L55-A59 WeakPolarHBondContact O-CB 3.46Å; L55-A59 PolarHBondContact O-N 2.83Å; F56-A59 PolarHBondContact O-N 2.89Å; A59-F62 WeakPolarHBondContact O-CB 3.47Å; A59-F62 PolarHBondContact O-N 3.23Å; A59-Y63 WeakPolarHBondContact O-CB 3.33Å; A59-Y63 PolarHBondContact O-N 2.96Å
60N98.4Very high97.3Very high60 Ų6093.5 Ų93.532%0.32147%0.469SS..Hα-helixtrans-67.7-41.3176.2-177.757.5000112F56 E58 F62 Y63 I64F56-N60 VanDerWaalsContact O-CB 3.23Å; F56-N60 WeakPolarHBondContact O-CB 3.14Å; F56-N60 PolarHBondContact O-N 3.07Å; E58-N60 VanDerWaalsContact C-N 3.35Å; E58-N60 PolarHBondContact O-N 3.14Å; N60-F62 VanDerWaalsContact C-N 3.31Å; N60-F62 PolarHBondContact O-N 2.8Å; N60-Y63 PolarHBondContact O-N 3.49Å; N60-I64 WeakPolarHBondContact O-CG1 3.45Å; N60-I64 PolarHBondContact O-N 3.34Å
61N98.4Very high97.6Very high96 Ų9695.6 Ų95.651%0.51348%0.48SS..Hα-helixtrans-62.1-39.3172.6-82-66.3000111.9N57 E58 R65N57-N61 WeakPolarHBondContact O-CB 3.46Å; N57-N61 PolarHBondContact O-N 3.42Å; N57-N61 PolarHBondContact O-ND2 3.2Å; E58-N61 PolarHBondContact O-N 3.37Å; N61-R65 VanDerWaalsContact O-CG 3.28Å; N61-R65 WeakPolarHBondContact O-CG 3.09Å; N61-R65 PolarHBondContact O-N 2.92Å
62F98.4Very high97.9Very high146 Ų146100.1 Ų100.164%0.6449%0.493SS*.Hα-helixtrans-63.4-46.5172.4177.1-97.4000111.9E58 A59 N60 I64 R65 A66E58-F62 PolarHBondContact O-N 3.1Å; A59-F62 WeakPolarHBondContact O-CB 3.47Å; A59-F62 PolarHBondContact O-N 3.23Å; N60-F62 VanDerWaalsContact C-N 3.31Å; N60-F62 PolarHBondContact O-N 2.8Å; F62-I64 PolarHBondContact O-N 3.25Å; F62-R65 PolarHBondContact O-N 3.06Å; F62-A66 HydrophobicContact CE1-CB 4.43Å; F62-A66 WeakPolarHBondContact O-CB 3.34Å; F62-A66 PolarHBondContact O-N 3.41Å
63Y98.4Very high97.9Very high140 Ų14097.3 Ų97.355%0.54948%0.483SS..Hα-helixtrans-57.6-47.9178.1171.9-108.9000112.7A59 N60 R65 A66 N67A59-Y63 WeakPolarHBondContact O-CB 3.33Å; A59-Y63 PolarHBondContact O-N 2.96Å; N60-Y63 PolarHBondContact O-N 3.49Å; Y63-R65 VanDerWaalsContact C-N 3.32Å; Y63-R65 PolarHBondContact O-N 2.87Å; Y63-A66 PolarHBondContact O-N 2.95Å; Y63-N67 VanDerWaalsContact CE1-ND2 3.3Å; Y63-N67 WeakPolarHBondContact CE1-ND2 3.3Å; Y63-N67 WeakPolarHBondContact CE2-ND2 3.29Å; Y63-N67 PolarHBondContact O-N 3.49Å; Y63-N67 PolarHBondContact O-ND2 2.85Å; Y63-N67 PolarHBondContact OH-ND2 3.23Å
64I98.6Very high98.1Very high95 Ų9599.8 Ų99.849%0.48749%0.49SS..Hα-helixtrans-59.3-44176.8-67165000110.9N60 F62 S68N60-I64 WeakPolarHBondContact O-CG1 3.45Å; N60-I64 PolarHBondContact O-N 3.34Å; F62-I64 PolarHBondContact O-N 3.25Å; I64-S68 WeakPolarHBondContact O-CB 3.3Å; I64-S68 PolarHBondContact O-N 2.86Å; I64-S68 VanDerWaalsContact O-N 3.08Å
65R98.5Very high98.3Very high188 Ų188102.9 Ų102.971%0.70950%0.498SS*.Hα-helixtrans-65.8-39.3176.9-72.2171.160.9-169.3-2112.4N61 F62 Y63 L69N61-R65 VanDerWaalsContact O-CG 3.28Å; N61-R65 WeakPolarHBondContact O-CG 3.09Å; N61-R65 PolarHBondContact O-N 2.92Å; F62-R65 PolarHBondContact O-N 3.06Å; Y63-R65 VanDerWaalsContact C-N 3.32Å; Y63-R65 PolarHBondContact O-N 2.87Å; R65-L69 WeakPolarHBondContact O-CB 3.07Å; R65-L69 PolarHBondContact O-N 3.37Å
66A98.7Very high98.3Very high37 Ų37102.9 Ų102.931%0.30650%0.498SS..Hα-helixtrans-64.9-46.3178.600000111.5F62 Y63 L69 Q70F62-A66 HydrophobicContact CE1-CB 4.43Å; F62-A66 WeakPolarHBondContact O-CB 3.34Å; F62-A66 PolarHBondContact O-N 3.41Å; Y63-A66 PolarHBondContact O-N 2.95Å; A66-L69 WeakPolarHBondContact O-CB 3.13Å; A66-L69 PolarHBondContact O-N 3.26Å; A66-Q70 PolarHBondContact O-N 3.21Å
67N98.6Very high98.3Very high65 Ų6598.8 Ų98.835%0.34849%0.49SS..Hα-helixtrans-62.8-45.7175.9-63.8-30.2000111.8Y63 L69 Q70 D71Y63-N67 VanDerWaalsContact CE1-ND2 3.3Å; Y63-N67 WeakPolarHBondContact CE1-ND2 3.3Å; Y63-N67 WeakPolarHBondContact CE2-ND2 3.29Å; Y63-N67 PolarHBondContact O-N 3.49Å; Y63-N67 PolarHBondContact O-ND2 2.85Å; Y63-N67 PolarHBondContact OH-ND2 3.23Å; N67-L69 PolarHBondContact O-N 3.1Å; N67-Q70 PolarHBondContact O-N 2.85Å; N67-Q70 VanDerWaalsContact O-N 3.14Å; N67-D71 WeakPolarHBondContact O-CB 3.33Å; N67-D71 PolarHBondContact O-N 3.48Å
68S98.7Very high98.3Very high66 Ų6698.3 Ų98.346%0.46249%0.49SS..Hα-helixtrans-60.8-32.2176.3-174.50000112.6I64 R72I64-S68 WeakPolarHBondContact O-CB 3.3Å; I64-S68 PolarHBondContact O-N 2.86Å; I64-S68 VanDerWaalsContact O-N 3.08Å; S68-R72 WeakPolarHBondContact O-CD 3.46Å; S68-R72 WeakPolarHBondContact O-CG 3.27Å; S68-R72 PolarHBondContact O-N 3.07Å
69L98.6Very high98.3Very high92 Ų9298.2 Ų98.248%0.48249%0.487SS..Hα-helixtrans-74.2-42.7173.2-178.360.2000112R65 A66 N67 R72 I73R65-L69 WeakPolarHBondContact O-CB 3.07Å; R65-L69 PolarHBondContact O-N 3.37Å; A66-L69 WeakPolarHBondContact O-CB 3.13Å; A66-L69 PolarHBondContact O-N 3.26Å; N67-L69 PolarHBondContact O-N 3.1Å; L69-R72 WeakPolarHBondContact O-CB 3.46Å; L69-R72 PolarHBondContact O-N 3.35Å; L69-R72 VanDerWaalsContact O-N 3.12Å; L69-I73 HydrophobicContact CD1-CD1 4.33Å; L69-I73 HydrophobicContact CD1-CG1 4.44Å; L69-I73 HydrophobicContact CG-CD1 3.94Å; L69-I73 HydrophobicContact CG-CG1 4.49Å; L69-I73 WeakPolarHBondContact O-CG1 3.42Å; L69-I73 PolarHBondContact O-N 3.12Å
70Q98.5Very high98.2Very high95 Ų9599.7 Ų99.744%0.44449%0.49SS..Hα-helixtrans-59.2-51.8177.8-173.659.952.100111.2A66 N67 R72 I73 D74A66-Q70 PolarHBondContact O-N 3.21Å; N67-Q70 PolarHBondContact O-N 2.85Å; N67-Q70 VanDerWaalsContact O-N 3.14Å; Q70-R72 PolarHBondContact O-N 3.01Å; Q70-R72 VanDerWaalsContact O-N 3.09Å; Q70-I73 CarbonylContact O-C 3.57Å; Q70-I73 WeakPolarHBondContact O-CA 3.44Å; Q70-I73 WeakPolarHBondContact O-CB 3.31Å; Q70-I73 PolarHBondContact O-N 3.03Å; Q70-D74 PolarHBondContact NE2-OD1 3.44Å; Q70-D74 VanDerWaalsContact O-CG 3.31Å; Q70-D74 PolarHBondContact O-N 3.47Å
71D98.5Very high98Very high80 Ų80102.7 Ų102.743%0.42851%0.511SS..Hα-helixtrans-52-35.4174.1-86.211.6000113.3N67 R75N67-D71 WeakPolarHBondContact O-CB 3.33Å; N67-D71 PolarHBondContact O-N 3.48Å; D71-R75 WeakPolarHBondContact O-CB 3.36Å; D71-R75 WeakPolarHBondContact O-CG 3.42Å; D71-R75 PolarHBondContact O-N 2.87Å; D71-R75 PolarHBondContact O-NE 3.18Å; D71-R75 IonicContact OD2-NH1 3.49Å; D71-R75 IonicContact OD2-NH2 2.91Å
72R98.5Very high97.8Very high163 Ų163105.3 Ų105.362%0.61552%0.52SS*.Hα-helixtrans-76.5-36.5176.8-74.4171.763.8-164.7-1.6112S68 L69 Q70 L76S68-R72 WeakPolarHBondContact O-CD 3.46Å; S68-R72 WeakPolarHBondContact O-CG 3.27Å; S68-R72 PolarHBondContact O-N 3.07Å; L69-R72 WeakPolarHBondContact O-CB 3.46Å; L69-R72 PolarHBondContact O-N 3.35Å; L69-R72 VanDerWaalsContact O-N 3.12Å; Q70-R72 PolarHBondContact O-N 3.01Å; Q70-R72 VanDerWaalsContact O-N 3.09Å; R72-L76 WeakPolarHBondContact O-CB 3.35Å; R72-L76 PolarHBondContact O-N 3.49Å
73I98.6Very high97.5Very high83 Ų83103.1 Ų103.143%0.42651%0.514SS..Hα-helixtrans-64.1-47.2174.2-71.1165.7000109.6L69 Q70 R75 L76 A77L69-I73 HydrophobicContact CD1-CD1 4.33Å; L69-I73 HydrophobicContact CD1-CG1 4.44Å; L69-I73 HydrophobicContact CG-CD1 3.94Å; L69-I73 HydrophobicContact CG-CG1 4.49Å; L69-I73 WeakPolarHBondContact O-CG1 3.42Å; L69-I73 PolarHBondContact O-N 3.12Å; Q70-I73 CarbonylContact O-C 3.57Å; Q70-I73 WeakPolarHBondContact O-CA 3.44Å; Q70-I73 WeakPolarHBondContact O-CB 3.31Å; Q70-I73 PolarHBondContact O-N 3.03Å; I73-R75 PolarHBondContact O-N 3.03Å; I73-L76 CarbonylContact O-C 3.59Å; I73-L76 WeakPolarHBondContact O-CB 3.47Å; I73-L76 PolarHBondContact O-N 3.36Å; I73-L76 VanDerWaalsContact O-N 3.07Å; I73-A77 WeakPolarHBondContact O-CB 3.38Å; I73-A77 PolarHBondContact O-N 2.89Å
74D98.4Very high97.2Very high80 Ų80100.4 Ų100.443%0.42851%0.509SS..Hα-helixtrans-62-45.8-178.9-60.4-23.3000111.3Q70 L76 A77 V78Q70-D74 PolarHBondContact NE2-OD1 3.44Å; Q70-D74 VanDerWaalsContact O-CG 3.31Å; Q70-D74 PolarHBondContact O-N 3.47Å; D74-L76 VanDerWaalsContact C-N 3.3Å; D74-L76 PolarHBondContact O-N 3.16Å; D74-A77 PolarHBondContact O-N 3.19Å; D74-V78 PolarHBondContact O-N 3.05Å
75R98.1Very high96.4Very high144 Ų144100.9 Ų100.954%0.54352%0.521SS..Hα-helixtrans-65.7-29.8174.4-72.5-173.7-72.1-95.29.1113.3D71 I73 K79D71-R75 WeakPolarHBondContact O-CB 3.36Å; D71-R75 WeakPolarHBondContact O-CG 3.42Å; D71-R75 PolarHBondContact O-N 2.87Å; D71-R75 PolarHBondContact O-NE 3.18Å; D71-R75 IonicContact OD2-NH1 3.49Å; D71-R75 IonicContact OD2-NH2 2.91Å; I73-R75 PolarHBondContact O-N 3.03Å; R75-K79 WeakPolarHBondContact O-CG 3.48Å
76L98.2Very high95.8Very high102 Ų10297.8 Ų97.853%0.53452%0.524SS..Hα-helixtrans-75.7-41.5175.6-179.561.2000111.2R72 I73 D74 V78 K79 V80R72-L76 WeakPolarHBondContact O-CB 3.35Å; R72-L76 PolarHBondContact O-N 3.49Å; I73-L76 CarbonylContact O-C 3.59Å; I73-L76 WeakPolarHBondContact O-CB 3.47Å; I73-L76 PolarHBondContact O-N 3.36Å; I73-L76 VanDerWaalsContact O-N 3.07Å; D74-L76 VanDerWaalsContact C-N 3.3Å; D74-L76 PolarHBondContact O-N 3.16Å; L76-V78 PolarHBondContact O-N 2.92Å; L76-K79 PolarHBondContact O-N 2.92Å; L76-K79 VanDerWaalsContact O-N 3.11Å; L76-V80 HydrophobicContact CD1-CG2 4.11Å; L76-V80 HydrophobicContact CG-CG2 4.23Å; L76-V80 WeakPolarHBondContact O-CG2 3.23Å; L76-V80 PolarHBondContact O-N 2.98Å
77A98Very high95.1Very high50 Ų50101.1 Ų101.141%0.41354%0.54SS..Hα-helixtrans-57-48.117800000111.1I73 D74 K79 V80 T81I73-A77 WeakPolarHBondContact O-CB 3.38Å; I73-A77 PolarHBondContact O-N 2.89Å; D74-A77 PolarHBondContact O-N 3.19Å; A77-K79 VanDerWaalsContact C-N 3.31Å; A77-K79 PolarHBondContact O-N 3.25Å; A77-V80 PolarHBondContact O-N 3.09Å; A77-V80 VanDerWaalsContact O-N 3.17Å; A77-T81 PolarHBondContact O-N 2.99Å; A77-T81 PolarHBondContact O-OG1 3.42Å; A77-T81 VanDerWaalsContact O-OG1 3.08Å
78V97.4Very high94.3Very high80 Ų80104.1 Ų104.149%0.48555%0.552SS.*Hα-helixtrans-56.2-44.2175174.90000111.8D74 L76 T81 Q82D74-V78 PolarHBondContact O-N 3.05Å; L76-V78 PolarHBondContact O-N 2.92Å; V78-T81 PolarHBondContact O-N 3.09Å; V78-Q82 WeakPolarHBondContact O-CB 3.29Å; V78-Q82 VanDerWaalsContact O-CG 3.27Å; V78-Q82 WeakPolarHBondContact O-CG 3.37Å; V78-Q82 PolarHBondContact O-N 3.27Å; V78-Q82 VanDerWaalsContact O-N 3.08Å
79K96.1Very high93.6Very high141 Ų141109.6 Ų109.661%0.61357%0.57SS**Hα-helixtrans-66.1-40.2177.8-71.5-179177.4-167.20112.7R75 L76 A77 T81 Q82 L83R75-K79 WeakPolarHBondContact O-CG 3.48Å; L76-K79 PolarHBondContact O-N 2.92Å; L76-K79 VanDerWaalsContact O-N 3.11Å; A77-K79 VanDerWaalsContact C-N 3.31Å; A77-K79 PolarHBondContact O-N 3.25Å; K79-T81 VanDerWaalsContact C-N 3.35Å; K79-Q82 PolarHBondContact O-N 3.36Å; K79-L83 PolarHBondContact O-N 3.12Å; K79-L83 VanDerWaalsContact O-N 3.16Å
80V96.3Very high92.8Very high90 Ų90111.7 Ų111.755%0.54559%0.586SS.*Hα-helixtrans-66.3-36.1177.2172.60000111.6L76 A77 Q82L76-V80 HydrophobicContact CD1-CG2 4.11Å; L76-V80 HydrophobicContact CG-CG2 4.23Å; L76-V80 WeakPolarHBondContact O-CG2 3.23Å; L76-V80 PolarHBondContact O-N 2.98Å; A77-V80 PolarHBondContact O-N 3.09Å; A77-V80 VanDerWaalsContact O-N 3.17Å; V80-Q82 VanDerWaalsContact C-N 3.34Å
81T95.2Very high92.1Very high124 Ų124109.3 Ų109.376%0.76158%0.58SS**Hα-helixtrans-74.3-23.3174.5-51.20000113.2A77 V78 K79A77-T81 PolarHBondContact O-N 2.99Å; A77-T81 PolarHBondContact O-OG1 3.42Å; A77-T81 VanDerWaalsContact O-OG1 3.08Å; V78-T81 PolarHBondContact O-N 3.09Å; K79-T81 VanDerWaalsContact C-N 3.35Å
82Q93.7Very high91.3Very high150 Ų150111.7 Ų111.770%0.70159%0.592SS**THydrogen-bonded Turntrans-91.6-2.9177.7-71.6175.61.500114.1V78 K79 V80 D84V78-Q82 WeakPolarHBondContact O-CB 3.29Å; V78-Q82 VanDerWaalsContact O-CG 3.27Å; V78-Q82 WeakPolarHBondContact O-CG 3.37Å; V78-Q82 PolarHBondContact O-N 3.27Å; V78-Q82 VanDerWaalsContact O-N 3.08Å; K79-Q82 PolarHBondContact O-N 3.36Å; V80-Q82 VanDerWaalsContact C-N 3.34Å; Q82-D84 PolarHBondContact O-N 2.87Å
83L92.2Very high90.7Very high100 Ų100110.4 Ų110.452%0.52459%0.593SS.*  trans-74.6118.5179.2-96.7157.5000110.9K79 E88K79-L83 PolarHBondContact O-N 3.12Å; K79-L83 VanDerWaalsContact O-N 3.16Å; L83-E88 WeakPolarHBondContact CD2-OE2 3.35Å
84D90.9Very high90.1Very high83 Ų83109.3 Ų109.344%0.44459%0.588SS.*  trans-10499.9174.5-172.9-15.2000110.4Q82 T86 V87 E88Q82-D84 PolarHBondContact O-N 2.87Å; D84-T86 PolarHBondContact O-N 3.44Å; D84-T86 VanDerWaalsContact O-N 3.16Å; D84-T86 WeakPolarHBondContact OD1-CB 3.41Å; D84-T86 PolarHBondContact OD1-N 3.33Å; D84-T86 PolarHBondContact OD1-OG1 2.91Å; D84-V87 HydrophobicContact CB-CB 4.49Å; D84-V87 HydrophobicContact CB-CG2 4.48Å; D84-V87 PolarHBondContact O-N 2.7Å; D84-V87 VanDerWaalsContact O-N 3.14Å; D84-E88 PolarHBondContact O-N 3.29Å; D84-E88 VanDerWaalsContact O-N 3.12Å
85S82.8Confident89.3Confident106 Ų106111.4 Ų111.474%0.74160%0.598SS**THydrogen-bonded Turntrans-69-5.5179.559.40000114.4
86T84.7Confident88.7Confident123 Ų123111.5 Ų111.576%0.75561%0.609SS**THydrogen-bonded Turntrans-87.8-15.5173.172.40000112.8D84D84-T86 PolarHBondContact O-N 3.44Å; D84-T86 VanDerWaalsContact O-N 3.16Å; D84-T86 WeakPolarHBondContact OD1-CB 3.41Å; D84-T86 PolarHBondContact OD1-N 3.33Å; D84-T86 PolarHBondContact OD1-OG1 2.91Å
87V85.3Confident88.3Confident106 Ų106114 Ų11464%0.64262%0.62SS**THydrogen-bonded Turntrans-111.4-22.9-179.7-178.50000112.1D84 E89D84-V87 HydrophobicContact CB-CB 4.49Å; D84-V87 HydrophobicContact CB-CG2 4.48Å; D84-V87 PolarHBondContact O-N 2.7Å; D84-V87 VanDerWaalsContact O-N 3.14Å; V87-E89 PolarHBondContact O-N 2.95Å; V87-E89 VanDerWaalsContact O-N 3.12Å
88E81.5Confident88Confident128 Ų128117.8 Ų117.860%0.59863%0.627SS**  trans-74.898.2179.9-169.5174-159.200112.8L83 D84L83-E88 WeakPolarHBondContact CD2-OE2 3.35Å; D84-E88 PolarHBondContact O-N 3.29Å; D84-E88 VanDerWaalsContact O-N 3.12Å
89E84.1Confident87.8Confident182 Ų182123.9 Ų123.985%0.8565%0.647SS**  trans-77.4131.5174.9-66.1-173.9177.200112.8V87 S91V87-E89 PolarHBondContact O-N 2.95Å; V87-E89 VanDerWaalsContact O-N 3.12Å; E89-S91 PolarHBondContact O-N 3.09Å
90V81.4Confident87.6Confident136 Ų136121.3 Ų121.382%0.82465%0.652SS**  trans-79.4101.9177.7-178.20000110.8L92V90-L92 PolarHBondContact O-N 3.44Å
91S83.4Confident87.5Confident45 Ų45126 Ų12632%0.31567%0.666SS.*  trans-75.2117.7178.9-178.90000113.1E89 Q93 D94E89-S91 PolarHBondContact O-N 3.09Å; S91-Q93 PolarHBondContact O-N 3.12Å; S91-Q93 WeakPolarHBondContact OG-CB 3.39Å; S91-Q93 PolarHBondContact OG-N 3.3Å; S91-D94 WeakPolarHBondContact O-CB 3.24Å; S91-D94 PolarHBondContact O-N 3.37Å
92L83.4Confident87.6Confident130 Ų130128.9 Ų128.968%0.68167%0.668SS**THydrogen-bonded Turntrans-67.9-17.3170.6-63.4177.2000113.2V90 D94 I95V90-L92 PolarHBondContact O-N 3.44Å; L92-D94 VanDerWaalsContact C-N 3.26Å; L92-D94 PolarHBondContact O-N 3.18Å; L92-I95 HydrophobicContact CD2-CD1 3.76Å; L92-I95 PolarHBondContact O-N 2.69Å
93Q84Confident87.7Confident136 Ų136125.7 Ų125.764%0.63666%0.662SS**Hα-helixtrans-66.8-31.7175.9-59.8178.9-7.100111.1S91 I95 N96 M97S91-Q93 PolarHBondContact O-N 3.12Å; S91-Q93 WeakPolarHBondContact OG-CB 3.39Å; S91-Q93 PolarHBondContact OG-N 3.3Å; Q93-I95 PolarHBondContact O-N 3.33Å; Q93-N96 PolarHBondContact O-N 3.25Å; Q93-M97 HydrophobicContact CB-SD 4.42Å; Q93-M97 WeakPolarHBondContact O-CB 3.21Å; Q93-M97 WeakPolarHBondContact O-CG 3.45Å; Q93-M97 PolarHBondContact O-N 3.25Å
94D86.2Confident87.9Confident60 Ų60125.8 Ų125.832%0.32167%0.671SS.*Hα-helixtrans-60.4-32.8179.2-74.5-6.7000112.7S91 L92 N96 K98S91-D94 WeakPolarHBondContact O-CB 3.24Å; S91-D94 PolarHBondContact O-N 3.37Å; L92-D94 VanDerWaalsContact C-N 3.26Å; L92-D94 PolarHBondContact O-N 3.18Å; D94-N96 PolarHBondContact O-N 2.71Å; D94-K98 HydrophobicContact CB-CD 3.93Å; D94-K98 HydrophobicContact CB-CG 4.3Å; D94-K98 VanDerWaalsContact CG-CD 3.47Å; D94-K98 VanDerWaalsContact CG-CE 3.46Å; D94-K98 WeakPolarHBondContact O-CA 3.43Å; D94-K98 WeakPolarHBondContact O-CB 3.48Å; D94-K98 PolarHBondContact O-N 3.19Å; D94-K98 WeakPolarHBondContact OD1-CD 3.43Å; D94-K98 WeakPolarHBondContact OD1-CE 3.27Å; D94-K98 IonicContact OD1-NZ 2.67Å; D94-K98 PolarHBondContact OD1-NZ 3.42Å; D94-K98 IonicContact OD2-NZ 2.82Å; D94-K98 PolarHBondContact OD2-NZ 2.86Å
95I81.9Confident88.1Confident124 Ų124127.4 Ų127.464%0.63668%0.684SS**Hα-helixtrans-61.2-35.3-179.2-57.9175.2000111.3L92 Q93L92-I95 HydrophobicContact CD2-CD1 3.76Å; L92-I95 PolarHBondContact O-N 2.69Å; Q93-I95 PolarHBondContact O-N 3.33Å
96N86.4Confident88.7Confident146 Ų146128.1 Ų128.178%0.78168%0.683SS**Hα-helixtrans-101.8-28.5-178.3-67.3-62.4000113.2Q93 D94Q93-N96 PolarHBondContact O-N 3.25Å; D94-N96 PolarHBondContact O-N 2.71Å
97M90.3Very high89.2Confident154 Ų154127.1 Ų127.176%0.75967%0.67SS**Hα-helixtrans-99.7-24.5-173.8-61.1-170.373.200114.3Q93Q93-M97 HydrophobicContact CB-SD 4.42Å; Q93-M97 WeakPolarHBondContact O-CB 3.21Å; Q93-M97 WeakPolarHBondContact O-CG 3.45Å; Q93-M97 PolarHBondContact O-N 3.25Å
98K90.1Very high89.5Confident130 Ų130129.1 Ų129.157%0.56568%0.677SS**SBendtrans-99137.3175.7-64.8-178.6-177.91560110.2D94 A100D94-K98 HydrophobicContact CB-CD 3.93Å; D94-K98 HydrophobicContact CB-CG 4.3Å; D94-K98 VanDerWaalsContact CG-CD 3.47Å; D94-K98 VanDerWaalsContact CG-CE 3.46Å; D94-K98 WeakPolarHBondContact O-CA 3.43Å; D94-K98 WeakPolarHBondContact O-CB 3.48Å; D94-K98 PolarHBondContact O-N 3.19Å; D94-K98 WeakPolarHBondContact OD1-CD 3.43Å; D94-K98 WeakPolarHBondContact OD1-CE 3.27Å; D94-K98 IonicContact OD1-NZ 2.67Å; D94-K98 PolarHBondContact OD1-NZ 3.42Å; D94-K98 IonicContact OD2-NZ 2.82Å; D94-K98 PolarHBondContact OD2-NZ 2.86Å; K98-A100 PolarHBondContact O-N 2.92Å
99K93.7Very high90Very high207 Ų207128.9 Ų128.990%0.968%0.676SS**PPolyproline II helixtrans-68.4132.4171.6-68.1177.8-179.3174.30109
100A92.3Very high90.3Very high87 Ų87127.9 Ų127.972%0.71967%0.672SS**PPolyproline II helixtrans-55.7146.7173.900000111.7K98K98-A100 PolarHBondContact O-N 2.92Å
101F95.1Very high90.7Very high188 Ų188126.4 Ų126.483%0.82566%0.663SS**PPolyproline II helixtrans-56.2139.9175172.2-99.7000111.2
102K96.6Very high91Very high186 Ų186131 Ų13181%0.80969%0.688SS**  trans-126.7128.5171.6-65-167177.2-170.70109.7
103S96.3Very high91.3Very high82 Ų82126.4 Ų126.457%0.57367%0.667SS**  trans-71.2162.9166.9490000110.9T105S103-T105 PolarHBondContact O-N 3.03Å
104S95.8Very high91.6Very high102 Ų102128 Ų12871%0.71367%0.672SS**  trans-65.9132.6169.3-176.30000110.1V106S104-V106 WeakPolarHBondContact OG-CG2 3.33Å
105T95.8Very high91.8Very high118 Ų118132 Ų13272%0.72469%0.694SS**  trans-120.225.5174.465.10000111.5S103S103-T105 PolarHBondContact O-N 3.03Å
106V95.2Very high92.2Very high120 Ų120128.8 Ų128.873%0.72768%0.682SS**  trans-63137.1175.7178.20000109.2S104S104-V106 WeakPolarHBondContact OG-CG2 3.33Å
107Q94.4Very high92.4Very high103 Ų103125.1 Ų125.148%0.48166%0.662SS.*  trans-132.2129.8178.2-71.7177.3-18.800109N472Q107-N472 VanDerWaalsContact CD-ND2 3.27Å; Q107-N472 PolarHBondContact NE2-ND2 3.37Å; Q107-N472 VanDerWaalsContact NE2-ND2 3.14Å; Q107-N472 VanDerWaalsContact OE1-CB 3.28Å; Q107-N472 PolarHBondContact OE1-ND2 2.76Å
108D92.3Very high92.3Very high147 Ų147119.9 Ų119.979%0.78664%0.639SS**  trans-73.7129.3178.1-61.1-31000110
109Q92.1Very high92.2Very high124 Ų124118.7 Ų118.758%0.57964%0.639SS**  trans-136.6164.6-177.7-61.2-175.517.100109.4V111Q109-V111 VanDerWaalsContact C-N 3.25Å; Q109-V111 PolarHBondContact O-N 2.67Å
110Q89.9Confident91.9Very high161 Ų161109.1 Ų109.175%0.75260%0.598SS**  trans55.437.3-179.1-52.8-173.44.200113.9V112 S113Q110-V112 PolarHBondContact O-N 2.91Å; Q110-S113 VanDerWaalsContact O-CB 3.31Å; Q110-S113 WeakPolarHBondContact O-CB 3.45Å; Q110-S113 PolarHBondContact O-N 3.31Å; Q110-S113 PolarHBondContact O-OG 2.82Å
111V90.1Very high91.7Very high105 Ų105106.9 Ų106.964%0.63658%0.575SS**  trans-61.2-11.8-174.8-57.20000115.1Q109 S116Q109-V111 VanDerWaalsContact C-N 3.25Å; Q109-V111 PolarHBondContact O-N 2.67Å; V111-S116 WeakPolarHBondContact O-CB 3.48Å; V111-S116 PolarHBondContact O-OG 3.14Å
112V89.3Confident91.5Very high141 Ų14199.2 Ų99.286%0.85555%0.547SS*.SBendtrans-117.857.4175.2-161.70000109.9Q110Q110-V112 PolarHBondContact O-N 2.91Å
113S90.6Very high91.1Very high34 Ų3493.4 Ų93.424%0.23852%0.524CS..SBendtrans-108.8171.417757.90000110.6Q110 N115 S116Q110-S113 VanDerWaalsContact O-CB 3.31Å; Q110-S113 WeakPolarHBondContact O-CB 3.45Å; Q110-S113 PolarHBondContact O-N 3.31Å; Q110-S113 PolarHBondContact O-OG 2.82Å; S113-N115 PolarHBondContact O-N 2.7Å; S113-N115 VanDerWaalsContact O-N 3.09Å; S113-N115 PolarHBondContact OG-OD1 3.11Å; S113-S116 PolarHBondContact N-OG 3.18Å; S113-S116 PolarHBondContact O-N 3.4Å; S113-S116 PolarHBondContact O-OG 3.19Å; S113-S116 VanDerWaalsContact O-OG 3.11Å
114K90.1Very high90.8Very high169 Ų16992.8 Ų92.874%0.73551%0.514SS*.THydrogen-bonded Turntrans-61.3-23.2-171.9-68.6-172177.9-175.30114.1I117K114-I117 HydrophobicContact CB-CD1 4.47Å
115N89.7Confident90.5Very high145 Ų14595.1 Ų95.178%0.77551%0.508SS*.THydrogen-bonded Turntrans-85.3-13.9178.86416.2000113.6S113S113-N115 PolarHBondContact O-N 2.7Å; S113-N115 VanDerWaalsContact O-N 3.09Å; S113-N115 PolarHBondContact OG-OD1 3.11Å
116S91Very high90.4Very high56 Ų5694.4 Ų94.439%0.39250%0.5SS..SBendtrans-99.77.4176.168.10000113.3V111 S113 P118V111-S116 WeakPolarHBondContact O-CB 3.48Å; V111-S116 PolarHBondContact O-OG 3.14Å; S113-S116 PolarHBondContact N-OG 3.18Å; S113-S116 PolarHBondContact O-N 3.4Å; S113-S116 PolarHBondContact O-OG 3.19Å; S113-S116 VanDerWaalsContact O-OG 3.11Å; S116-P118 WeakPolarHBondContact O-CD 3.16Å
117I89.5Confident90.2Very high69 Ų6995.6 Ų95.635%0.35450%0.497SS..  trans-69.9121.3173.8-61.3178.4000108.8K114 V121 A122K114-I117 HydrophobicContact CB-CD1 4.47Å; I117-V121 HydrophobicContact CG2-CB 3.86Å; I117-V121 HydrophobicContact CG2-CG1 3.89Å; I117-A122 HydrophobicContact CG2-CB 4.07Å
118P88.7Confident90.1Very high43 Ų4393.6 Ų93.628%0.27950%0.495SS..  trans-63.5144.2176-21.633.6000111.9S116 P120 V121 A122S116-P118 WeakPolarHBondContact O-CD 3.16Å; P118-P120 VanDerWaalsContact C-CD 3.44Å; P118-P120 VanDerWaalsContact C-N 3.33Å; P118-P120 VanDerWaalsContact O-N 3.13Å; P118-V121 HydrophobicContact CB-CG2 4.41Å; P118-V121 HydrophobicContact CG-CG2 4.42Å; P118-V121 WeakPolarHBondContact O-CA 3.34Å; P118-V121 WeakPolarHBondContact O-CB 3.47Å; P118-V121 PolarHBondContact O-N 2.85Å; P118-A122 PolarHBondContact O-N 3.42Å
119N88.4Confident90.3Very high106 Ų10694.5 Ų94.557%0.56750%0.5SS*.Hα-helixtrans-46.8-45.2-178.3-63-12.2000114.1V121 A122 D123N119-V121 VanDerWaalsContact C-N 3.29Å; N119-V121 PolarHBondContact O-N 3.24Å; N119-A122 WeakPolarHBondContact O-CB 3.41Å; N119-A122 PolarHBondContact O-N 3.11Å; N119-A122 VanDerWaalsContact O-N 3.13Å; N119-D123 PolarHBondContact O-N 2.91Å
120P87.3Confident90.5Very high6 Ų696.9 Ų96.94%0.03951%0.508CS..Hα-helixtrans-62.7-31.7177.5-24.935.7000114.6K5 R6 P118 I124K5-P120 WeakPolarHBondContact O-CB 3.33Å; R6-P120 HydrophobicContact CG-CB 3.91Å; R6-P120 HydrophobicContact CG-CG 3.77Å; R6-P120 VanDerWaalsContact CZ-CG 3.43Å; P118-P120 VanDerWaalsContact C-CD 3.44Å; P118-P120 VanDerWaalsContact C-N 3.33Å; P118-P120 VanDerWaalsContact O-N 3.13Å; P120-I124 WeakPolarHBondContact O-CD1 2.99Å; P120-I124 WeakPolarHBondContact O-CG1 3.46Å; P120-I124 PolarHBondContact O-N 2.85Å
121V88.4Confident90.7Very high40 Ų4091.9 Ų91.924%0.24249%0.49CS..Hα-helixtrans-77-34.8176.7-177.90000110.1K5 I117 P118 N119 I124 Y125K5-V121 HydrophobicContact CG-CG2 4.45Å; I117-V121 HydrophobicContact CG2-CB 3.86Å; I117-V121 HydrophobicContact CG2-CG1 3.89Å; P118-V121 HydrophobicContact CB-CG2 4.41Å; P118-V121 HydrophobicContact CG-CG2 4.42Å; P118-V121 WeakPolarHBondContact O-CA 3.34Å; P118-V121 WeakPolarHBondContact O-CB 3.47Å; P118-V121 PolarHBondContact O-N 2.85Å; N119-V121 VanDerWaalsContact C-N 3.29Å; N119-V121 PolarHBondContact O-N 3.24Å; V121-I124 PolarHBondContact O-N 2.83Å; V121-Y125 WeakPolarHBondContact O-CB 3.42Å; V121-Y125 PolarHBondContact O-N 3.28Å
122A90Very high91Very high27 Ų2789.8 Ų89.822%0.22348%0.478CS..Hα-helixtrans-64.7-42.1171.600000111.7I117 P118 N119 I124 Y125 N126I117-A122 HydrophobicContact CG2-CB 4.07Å; P118-A122 PolarHBondContact O-N 3.42Å; N119-A122 WeakPolarHBondContact O-CB 3.41Å; N119-A122 PolarHBondContact O-N 3.11Å; N119-A122 VanDerWaalsContact O-N 3.13Å; A122-I124 VanDerWaalsContact C-N 3.34Å; A122-I124 PolarHBondContact O-N 3.17Å; A122-Y125 PolarHBondContact O-N 2.97Å; A122-N126 WeakPolarHBondContact O-CB 3.3Å; A122-N126 PolarHBondContact O-N 2.95Å; A122-N126 PolarHBondContact O-ND2 3.09Å; A122-N126 VanDerWaalsContact O-ND2 3.11Å
123D88.8Confident91.3Very high63 Ų6387.5 Ų87.534%0.33747%0.467SS..Hα-helixtrans-57.1-44.6174.1-81.12.1000111.4K46 N119 Q127K46-D123 IonicContact NZ-OD2 2.87Å; K46-D123 PolarHBondContact NZ-OD2 2.81Å; N119-D123 PolarHBondContact O-N 2.91Å; D123-Q127 WeakPolarHBondContact O-CG 3.46Å; D123-Q127 PolarHBondContact O-N 3.37Å; D123-Q127 PolarHBondContact O-NE2 3.42Å
124I89.1Confident91.5Very high70 Ų7088.5 Ų88.536%0.35947%0.469SS..Hα-helixtrans-67-43.6176.5-65.7164.4000111.2P120 V121 A122 N126 Q127 S128P120-I124 WeakPolarHBondContact O-CD1 2.99Å; P120-I124 WeakPolarHBondContact O-CG1 3.46Å; P120-I124 PolarHBondContact O-N 2.85Å; V121-I124 PolarHBondContact O-N 2.83Å; A122-I124 VanDerWaalsContact C-N 3.34Å; A122-I124 PolarHBondContact O-N 3.17Å; I124-N126 VanDerWaalsContact C-N 3.34Å; I124-N126 PolarHBondContact O-N 3.25Å; I124-Q127 PolarHBondContact O-N 3.42Å; I124-S128 PolarHBondContact O-N 3.13Å; I124-S128 PolarHBondContact O-OG 3.02Å
125Y90.8Very high91.7Very high150 Ų15084.3 Ų84.359%0.58846%0.455SS*.Hα-helixtrans-61.6-41.2178.1178.7-100.1000112.1V121 A122 Q127 S128V121-Y125 WeakPolarHBondContact O-CB 3.42Å; V121-Y125 PolarHBondContact O-N 3.28Å; A122-Y125 PolarHBondContact O-N 2.97Å; Y125-Q127 VanDerWaalsContact C-N 3.3Å; Y125-Q127 PolarHBondContact O-N 2.89Å; Y125-S128 WeakPolarHBondContact O-CB 3.46Å; Y125-S128 PolarHBondContact O-N 2.86Å
126N92.4Very high92.1Very high104 Ų10483 Ų8356%0.55645%0.446SS*.Hα-helixtrans-70-25.5-179.6-71.6-30.1000113.7A122 I124A122-N126 WeakPolarHBondContact O-CB 3.3Å; A122-N126 PolarHBondContact O-N 2.95Å; A122-N126 PolarHBondContact O-ND2 3.09Å; A122-N126 VanDerWaalsContact O-ND2 3.11Å; I124-N126 VanDerWaalsContact C-N 3.34Å; I124-N126 PolarHBondContact O-N 3.25Å
127Q90.8Very high92.3Very high144 Ų14484.8 Ų84.867%0.67345%0.451SS*.Hα-helixtrans-85.6-10.6173.6-71.2172.287.600113.5D123 I124 Y125D123-Q127 WeakPolarHBondContact O-CG 3.46Å; D123-Q127 PolarHBondContact O-N 3.37Å; D123-Q127 PolarHBondContact O-NE2 3.42Å; I124-Q127 PolarHBondContact O-N 3.42Å; Y125-Q127 VanDerWaalsContact C-N 3.3Å; Y125-Q127 PolarHBondContact O-N 2.89Å
128S93.1Very high92.5Very high61 Ų6183.2 Ų83.243%0.42745%0.445SS..SBendtrans-77.7155.7179.7-59.20000111.8I124 Y125 K130I124-S128 PolarHBondContact O-N 3.13Å; I124-S128 PolarHBondContact O-OG 3.02Å; Y125-S128 WeakPolarHBondContact O-CB 3.46Å; Y125-S128 PolarHBondContact O-N 2.86Å; S128-K130 PolarHBondContact O-N 3.22Å
129D96.3Very high92.9Very high167 Ų16786.2 Ų86.289%0.89346%0.464SS*.PPolyproline II helixtrans-58.2128.7177-70-40.9000111.5
130K95.4Very high93.2Very high173 Ų17390.6 Ų90.675%0.75247%0.474SS*.PPolyproline II helixtrans-81.4146.6178.7-67.1175.8-176.21730109.8S128S128-K130 PolarHBondContact O-N 3.22Å
131P95.6Very high93.6Very high57 Ų5794.3 Ų94.337%0.3749%0.487SS..PPolyproline II helixtrans-60.8154.2174.928.4-36.1000110.6L148 Y151P131-L148 HydrophobicContact CB-CD1 3.82Å; P131-L148 HydrophobicContact CG-CD1 4.02Å; P131-Y151 HydrophobicContact CB-CD1 3.96Å; P131-Y151 HydrophobicContact CB-CE1 3.68Å
132P96Very high94.1Very high60 Ų60100.4 Ų100.439%0.3952%0.518SS..PPolyproline II helixtrans-52.8143.2173.1-24.734.3000111L134 Y151P132-L134 HydrophobicContact CB-CD2 4.3Å; P132-L134 HydrophobicContact CB-CG 4.24Å; P132-L134 PolarHBondContact O-N 3.5Å; P132-Y151 HydrophobicContact CG-CE2 4.42Å
133P95.1Very high94.3Very high94 Ų94102.1 Ų102.161%0.6152%0.524SS*.  trans-77.452.7-171.532.9-37.8000112.8N135 I136P133-N135 PolarHBondContact O-N 3.05Å; P133-I136 VanDerWaalsContact O-CG1 3.31Å; P133-I136 WeakPolarHBondContact O-CG1 3.27Å; P133-I136 PolarHBondContact O-N 2.8Å; P133-I136 VanDerWaalsContact O-N 3.1Å
134L95.8Very high94.5Very high55 Ų55108.1 Ų108.129%0.28855%0.547SS..G310 helixtrans-60.6-17.2-175.1-59.5179.7000113.8P132 I136 L137 Y151P132-L134 HydrophobicContact CB-CD2 4.3Å; P132-L134 HydrophobicContact CB-CG 4.24Å; P132-L134 PolarHBondContact O-N 3.5Å; L134-I136 PolarHBondContact O-N 3.34Å; L134-I136 VanDerWaalsContact O-N 3.14Å; L134-L137 HydrophobicContact CD2-CD1 4.22Å; L134-L137 WeakPolarHBondContact O-CB 3.48Å; L134-L137 PolarHBondContact O-N 3.1Å; L134-Y151 HydrophobicContact CD1-CD2 4.42Å; L134-Y151 HydrophobicContact CD1-CG 4.12Å
135N94.3Very high94.7Very high81 Ų81110.8 Ų110.843%0.43356%0.556SS.*G310 helixtrans-55.1-26.9172-683000113.3P133 L137 T138 D146 L148P133-N135 PolarHBondContact O-N 3.05Å; N135-L137 PolarHBondContact O-N 3.25Å; N135-T138 WeakPolarHBondContact O-CB 3.19Å; N135-T138 PolarHBondContact O-N 3.47Å; N135-T138 PolarHBondContact O-OG1 3.06Å; N135-D146 PolarHBondContact OD1-OD1 3.24Å; N135-D146 VanDerWaalsContact OD1-OD1 3.1Å; N135-L148 WeakPolarHBondContact OD1-CB 3.49Å
136I96.4Very high94.9Very high117 Ų117106.3 Ų106.360%0.654%0.542SS*.G310 helixtrans-66.9-21.1175.972.9-172.4000112.6P133 L134 Y140P133-I136 VanDerWaalsContact O-CG1 3.31Å; P133-I136 WeakPolarHBondContact O-CG1 3.27Å; P133-I136 PolarHBondContact O-N 2.8Å; P133-I136 VanDerWaalsContact O-N 3.1Å; L134-I136 PolarHBondContact O-N 3.34Å; L134-I136 VanDerWaalsContact O-N 3.14Å; I136-Y140 WeakPolarHBondContact O-CE2 3.18Å
137L95.3Very high95Very high93 Ų93101.7 Ų101.749%0.48752%0.519SS..G310 helixtrans-91-15.4176.6-61.6101.2000112.7L134 N135 P139 Y140L134-L137 HydrophobicContact CD2-CD1 4.22Å; L134-L137 WeakPolarHBondContact O-CB 3.48Å; L134-L137 PolarHBondContact O-N 3.1Å; N135-L137 PolarHBondContact O-N 3.25Å; L137-P139 VanDerWaalsContact C-CD 3.42Å; L137-P139 VanDerWaalsContact C-N 3.34Å; L137-Y140 PolarHBondContact O-N 2.85Å
138T95Very high95.3Very high36 Ų3696.4 Ų96.422%0.22150%0.495CS..G310 helixtrans-50.6-42179.3-60.80000113.8N135 Y140 R141 D146 G147N135-T138 WeakPolarHBondContact O-CB 3.19Å; N135-T138 PolarHBondContact O-N 3.47Å; N135-T138 PolarHBondContact O-OG1 3.06Å; T138-Y140 PolarHBondContact O-N 2.98Å; T138-R141 PolarHBondContact O-N 2.95Å; T138-D146 PolarHBondContact OG1-OD1 2.9Å; T138-D146 VanDerWaalsContact OG1-OD1 3.09Å; T138-G147 PolarHBondContact OG1-N 2.76Å
139P96.8Very high95.4Very high106 Ų10697.8 Ų97.869%0.68849%0.493SS*.G310 helixtrans-64.7-18178-23.335.6000115.3L137L137-P139 VanDerWaalsContact C-CD 3.42Å; L137-P139 VanDerWaalsContact C-N 3.34Å
140Y95.5Very high95.4Very high199 Ų19995.4 Ų95.478%0.7848%0.476SS*.G310 helixtrans-99.412.3-177.1-54.4-86.3000112.8I136 L137 T138I136-Y140 WeakPolarHBondContact O-CE2 3.18Å; L137-Y140 PolarHBondContact O-N 2.85Å; T138-Y140 PolarHBondContact O-N 2.98Å
141R95.8Very high95.5Very high84 Ų8494 Ų9432%0.31747%0.466SS..  trans-99.6127.6-179-64.3-174.260.383.29.4112.4T138 D143 K144 K145 F150T138-R141 PolarHBondContact O-N 2.95Å; R141-D143 VanDerWaalsContact C-N 3.26Å; R141-D143 IonicContact CZ-OD1 3.14Å; R141-D143 IonicContact CZ-OD2 3.76Å; R141-D143 IonicContact NE-OD1 3.17Å; R141-D143 PolarHBondContact NE-OD1 3.24Å; R141-D143 IonicContact NE-OD2 3.77Å; R141-D143 VanDerWaalsContact NH2-CG 3.28Å; R141-D143 IonicContact NH2-OD1 2.72Å; R141-D143 PolarHBondContact NH2-OD1 2.95Å; R141-D143 IonicContact NH2-OD2 3.97Å; R141-D143 PolarHBondContact NH2-OD2 3.1Å; R141-D143 PolarHBondContact O-N 3.41Å; R141-K144 PolarHBondContact O-N 2.93Å; R141-K145 VanDerWaalsContact CD-O 3.31Å; R141-K145 WeakPolarHBondContact CD-O 3.45Å; R141-F150 VanDerWaalsContact CZ-CE2 3.41Å; R141-F150 VanDerWaalsContact NH2-CE2 3.33Å
142D97Very high95.5Very high167 Ų16794.4 Ų94.489%0.89347%0.468SS*.THydrogen-bonded Turntrans-61.9-33.2176.6-54.8-47.8000113K144D142-K144 VanDerWaalsContact C-N 3.28Å; D142-K144 PolarHBondContact O-N 3Å
143D95.3Very high95.5Very high63 Ų6393.6 Ų93.634%0.33746%0.46SS..THydrogen-bonded Turntrans-80.1-4.8-177.272.8-4.8000114.5R141 K145 F150R141-D143 VanDerWaalsContact C-N 3.26Å; R141-D143 IonicContact CZ-OD1 3.14Å; R141-D143 IonicContact CZ-OD2 3.76Å; R141-D143 IonicContact NE-OD1 3.17Å; R141-D143 PolarHBondContact NE-OD1 3.24Å; R141-D143 IonicContact NE-OD2 3.77Å; R141-D143 VanDerWaalsContact NH2-CG 3.28Å; R141-D143 IonicContact NH2-OD1 2.72Å; R141-D143 PolarHBondContact NH2-OD1 2.95Å; R141-D143 IonicContact NH2-OD2 3.97Å; R141-D143 PolarHBondContact NH2-OD2 3.1Å; R141-D143 PolarHBondContact O-N 3.41Å; D143-K145 HydrophobicContact CB-CG 4.28Å; D143-K145 PolarHBondContact O-N 2.87Å; D143-K145 WeakPolarHBondContact OD1-CB 3.49Å; D143-K145 PolarHBondContact OD1-N 2.87Å; D143-K145 WeakPolarHBondContact OD2-CD 3.3Å; D143-F150 WeakPolarHBondContact OD2-CZ 3.36Å
144K92.4Very high95.5Very high189 Ų18994 Ų9482%0.82246%0.463SS*.  trans53.819.8-176.9-54.3-179.9-177.8177.70114.4R141 D142R141-K144 PolarHBondContact O-N 2.93Å; D142-K144 VanDerWaalsContact C-N 3.28Å; D142-K144 PolarHBondContact O-N 3Å
145K94.3Very high95.4Very high126 Ų12693.3 Ų93.355%0.54846%0.463SS..  trans-86.3151176.8-64.7-176.9-172.7171.60110.4R141 D143 G147 F150R141-K145 VanDerWaalsContact CD-O 3.31Å; R141-K145 WeakPolarHBondContact CD-O 3.45Å; D143-K145 HydrophobicContact CB-CG 4.28Å; D143-K145 PolarHBondContact O-N 2.87Å; D143-K145 WeakPolarHBondContact OD1-CB 3.49Å; D143-K145 PolarHBondContact OD1-N 2.87Å; D143-K145 WeakPolarHBondContact OD2-CD 3.3Å; K145-G147 PolarHBondContact O-N 2.78Å; K145-F150 HydrophobicContact CB-CE2 3.81Å; K145-F150 HydrophobicContact CB-CZ 4.12Å; K145-F150 HydrophobicContact CD-CZ 4.03Å
146D94.7Very high95.6Very high57 Ų5795.6 Ų95.631%0.30547%0.466SS..  trans-65.4122.3176.6-174.217.4000111.3N135 T138 L148 K149 F150N135-D146 PolarHBondContact OD1-OD1 3.24Å; N135-D146 VanDerWaalsContact OD1-OD1 3.1Å; T138-D146 PolarHBondContact OG1-OD1 2.9Å; T138-D146 VanDerWaalsContact OG1-OD1 3.09Å; D146-L148 VanDerWaalsContact C-N 3.26Å; D146-L148 PolarHBondContact O-N 2.61Å; D146-K149 HydrophobicContact CB-CD 4.23Å; D146-K149 HydrophobicContact CB-CG 4.22Å; D146-K149 WeakPolarHBondContact O-CB 3.37Å; D146-K149 PolarHBondContact O-N 2.68Å; D146-K149 VanDerWaalsContact O-N 3.13Å; D146-F150 WeakPolarHBondContact O-CD2 3.37Å
147G95.1Very high95.6Very high6 Ų697.8 Ų97.86%0.06247%0.472CS..G310 helixtrans-59.3-33.5-178.500000113.3T138 K145 K149 F150T138-G147 PolarHBondContact OG1-N 2.76Å; K145-G147 PolarHBondContact O-N 2.78Å; G147-K149 PolarHBondContact O-N 3.18Å; G147-F150 PolarHBondContact O-N 3.04Å
148L96.3Very high95.6Very high34 Ų3498.8 Ų98.818%0.17847%0.472CS..G310 helixtrans-70.4-28.1177.7178.866.1000113.1P131 N135 D146 F150 Y151 T152P131-L148 HydrophobicContact CB-CD1 3.82Å; P131-L148 HydrophobicContact CG-CD1 4.02Å; N135-L148 WeakPolarHBondContact OD1-CB 3.49Å; D146-L148 VanDerWaalsContact C-N 3.26Å; D146-L148 PolarHBondContact O-N 2.61Å; L148-F150 PolarHBondContact O-N 3.11Å; L148-Y151 HydrophobicContact CD1-CD1 4.15Å; L148-Y151 WeakPolarHBondContact O-CA 3.48Å; L148-Y151 PolarHBondContact O-N 3.11Å; L148-T152 HydrophobicContact CD1-CG2 3.83Å; L148-T152 HydrophobicContact CG-CG2 4.02Å; L148-T152 PolarHBondContact O-N 2.72Å
149K96.2Very high95.6Very high89 Ų89100.5 Ų100.539%0.38748%0.48SS..G310 helixtrans-62-23.2175.8-78.4-179.3162.7-92.90113.3D146 G147 Y151 T152 D153 S155D146-K149 HydrophobicContact CB-CD 4.23Å; D146-K149 HydrophobicContact CB-CG 4.22Å; D146-K149 WeakPolarHBondContact O-CB 3.37Å; D146-K149 PolarHBondContact O-N 2.68Å; D146-K149 VanDerWaalsContact O-N 3.13Å; G147-K149 PolarHBondContact O-N 3.18Å; K149-Y151 VanDerWaalsContact C-N 3.26Å; K149-Y151 PolarHBondContact O-N 2.92Å; K149-T152 WeakPolarHBondContact CA-O 3.37Å; K149-D153 HydrophobicContact CB-CB 4.14Å; K149-D153 HydrophobicContact CG-CB 4.12Å; K149-D153 IonicContact NZ-OD1 3.94Å; K149-D153 PolarHBondContact NZ-OD1 3.3Å; K149-D153 IonicContact NZ-OD2 2.68Å; K149-D153 PolarHBondContact NZ-OD2 2.93Å; K149-S155 PolarHBondContact NZ-OG 3.44Å
150F95.1Very high95.7Very high118 Ų11899.4 Ų99.452%0.51847%0.468SS..G310 helixtrans-74.8-14.8172.8-66.2-91.1000113.6R141 D143 K145 D146 G147 L148R141-F150 VanDerWaalsContact CZ-CE2 3.41Å; R141-F150 VanDerWaalsContact NH2-CE2 3.33Å; D143-F150 WeakPolarHBondContact OD2-CZ 3.36Å; K145-F150 HydrophobicContact CB-CE2 3.81Å; K145-F150 HydrophobicContact CB-CZ 4.12Å; K145-F150 HydrophobicContact CD-CZ 4.03Å; D146-F150 WeakPolarHBondContact O-CD2 3.37Å; G147-F150 PolarHBondContact O-N 3.04Å; L148-F150 PolarHBondContact O-N 3.11Å
151Y96.8Very high95.7Very high143 Ų14394.2 Ų94.256%0.56145%0.447SS*.THydrogen-bonded Turntrans-105.2-41.5175.7178.1-91.6000111.8P131 P132 L134 L148 K149P131-Y151 HydrophobicContact CB-CD1 3.96Å; P131-Y151 HydrophobicContact CB-CE1 3.68Å; P132-Y151 HydrophobicContact CG-CE2 4.42Å; L134-Y151 HydrophobicContact CD1-CD2 4.42Å; L134-Y151 HydrophobicContact CD1-CG 4.12Å; L148-Y151 HydrophobicContact CD1-CD1 4.15Å; L148-Y151 WeakPolarHBondContact O-CA 3.48Å; L148-Y151 PolarHBondContact O-N 3.11Å; K149-Y151 VanDerWaalsContact C-N 3.26Å; K149-Y151 PolarHBondContact O-N 2.92Å
152T96.4Very high95.8Very high66 Ų6695.2 Ų95.241%0.40545%0.454SS..  trans-151.2121.1175.8-172.10000110.7L148 K149L148-T152 HydrophobicContact CD1-CG2 3.83Å; L148-T152 HydrophobicContact CG-CG2 4.02Å; L148-T152 PolarHBondContact O-N 2.72Å; K149-T152 WeakPolarHBondContact CA-O 3.37Å
153D96.2Very high95.8Very high42 Ų4293.7 Ų93.723%0.22544%0.441CS..  trans-125.6101.3174.6-168.4-4.1000111.5K149 S155 Y156K149-D153 HydrophobicContact CB-CB 4.14Å; K149-D153 HydrophobicContact CG-CB 4.12Å; K149-D153 IonicContact NZ-OD1 3.94Å; K149-D153 PolarHBondContact NZ-OD1 3.3Å; K149-D153 IonicContact NZ-OD2 2.68Å; K149-D153 PolarHBondContact NZ-OD2 2.93Å; D153-S155 PolarHBondContact O-N 3.41Å; D153-S155 PolarHBondContact OD1-N 3.34Å; D153-S155 PolarHBondContact OD1-OG 3.34Å; D153-S155 VanDerWaalsContact OD1-OG 3.11Å; D153-Y156 VanDerWaalsContact O-CB 3.31Å; D153-Y156 WeakPolarHBondContact O-CB 3.35Å; D153-Y156 PolarHBondContact O-N 2.82Å
154P94.3Very high95.9Very high103 Ų10395.9 Ų95.967%0.66945%0.448SS*.THydrogen-bonded Turntrans-64.1-21.2176.1-24.235.4000114.8
155S95.1Very high96Very high40 Ų4088.8 Ų88.828%0.2842%0.418SS..THydrogen-bonded Turntrans-82.4-19.5179.375.40000113.2K149 D153 F157 F158 D159K149-S155 PolarHBondContact NZ-OG 3.44Å; D153-S155 PolarHBondContact O-N 3.41Å; D153-S155 PolarHBondContact OD1-N 3.34Å; D153-S155 PolarHBondContact OD1-OG 3.34Å; D153-S155 VanDerWaalsContact OD1-OG 3.11Å; S155-F157 VanDerWaalsContact C-N 3.3Å; S155-F157 PolarHBondContact O-N 3.37Å; S155-F157 VanDerWaalsContact O-N 3.11Å; S155-F158 PolarHBondContact O-N 3.32Å; S155-D159 WeakPolarHBondContact CB-OD2 3.42Å; S155-D159 PolarHBondContact O-N 2.93Å; S155-D159 PolarHBondContact OG-OD2 3.06Å
156Y96.9Very high96.1Very high130 Ų13086.5 Ų86.551%0.5141%0.411SS..Hα-helixtrans-46-46.9-176178-99000114.3D153 F158 D159 L160D153-Y156 VanDerWaalsContact O-CB 3.31Å; D153-Y156 WeakPolarHBondContact O-CB 3.35Å; D153-Y156 PolarHBondContact O-N 2.82Å; Y156-F158 PolarHBondContact O-N 2.97Å; Y156-D159 PolarHBondContact O-N 3.21Å; Y156-L160 HydrophobicContact CE1-CD2 4.04Å; Y156-L160 VanDerWaalsContact O-CB 3.24Å; Y156-L160 WeakPolarHBondContact O-CB 3.23Å; Y156-L160 PolarHBondContact O-N 3.02Å
157F96.4Very high96.2Very high163 Ų16388.4 Ų88.472%0.71542%0.419SS*.Hα-helixtrans-63.2-39.9-179.4-64.1-73.5000112.9S155 W161S155-F157 VanDerWaalsContact C-N 3.3Å; S155-F157 PolarHBondContact O-N 3.37Å; S155-F157 VanDerWaalsContact O-N 3.11Å; F157-W161 WeakPolarHBondContact O-CB 3.48Å; F157-W161 PolarHBondContact O-N 3.18Å; F157-W161 VanDerWaalsContact O-N 3.14Å
158F95.6Very high96.2Very high114 Ų11491.4 Ų91.450%0.543%0.433SS..Hα-helixtrans-74.4-41.7177.9176.9-98.7000111.2S155 Y156 W161 K162S155-F158 PolarHBondContact O-N 3.32Å; Y156-F158 PolarHBondContact O-N 2.97Å; F158-W161 AromaticContact CD2-CE3 3.92Å; F158-W161 HydrophobicContact CD2-CE3 3.92Å; F158-W161 HydrophobicContact CD2-CZ3 4.19Å; F158-W161 AromaticContact CE2-CE3 3.87Å; F158-W161 HydrophobicContact CE2-CE3 3.87Å; F158-W161 AromaticContact CE2-CZ3 3.66Å; F158-W161 HydrophobicContact CE2-CZ3 3.66Å; F158-W161 HydrophobicContact CZ-CZ3 4.34Å; F158-W161 PolarHBondContact O-N 3.45Å; F158-K162 HydrophobicContact CE1-CD 4.17Å; F158-K162 WeakPolarHBondContact O-CB 3.47Å; F158-K162 PolarHBondContact O-N 3.06Å
159D96.6Very high96.2Very high71 Ų7190.7 Ų90.738%0.3843%0.43SS..Hα-helixtrans-63.5-46.9-179.7-66.2-37.6000111.1S155 Y156 K162 E163S155-D159 WeakPolarHBondContact CB-OD2 3.42Å; S155-D159 PolarHBondContact O-N 2.93Å; S155-D159 PolarHBondContact OG-OD2 3.06Å; Y156-D159 PolarHBondContact O-N 3.21Å; D159-K162 PolarHBondContact O-N 2.89Å; D159-E163 WeakPolarHBondContact O-CB 3.43Å; D159-E163 PolarHBondContact O-N 3.32Å
160L96.9Very high96.1Very high84 Ų8489.1 Ų89.144%0.4442%0.424SS..Hα-helixtrans-64.5-40.8175.4-177.666.9000112.4Y156 K164Y156-L160 HydrophobicContact CE1-CD2 4.04Å; Y156-L160 VanDerWaalsContact O-CB 3.24Å; Y156-L160 WeakPolarHBondContact O-CB 3.23Å; Y156-L160 PolarHBondContact O-N 3.02Å; L160-K164 WeakPolarHBondContact O-CB 3.38Å; L160-K164 PolarHBondContact O-N 2.93Å
161W97.3Very high96.1Very high90 Ų9087 Ų8734%0.34142%0.418SS..Hα-helixtrans-64-44175.5168.484.7000111.5F157 F158 K164 M165 V474F157-W161 WeakPolarHBondContact O-CB 3.48Å; F157-W161 PolarHBondContact O-N 3.18Å; F157-W161 VanDerWaalsContact O-N 3.14Å; F158-W161 AromaticContact CD2-CE3 3.92Å; F158-W161 HydrophobicContact CD2-CE3 3.92Å; F158-W161 HydrophobicContact CD2-CZ3 4.19Å; F158-W161 AromaticContact CE2-CE3 3.87Å; F158-W161 HydrophobicContact CE2-CE3 3.87Å; F158-W161 AromaticContact CE2-CZ3 3.66Å; F158-W161 HydrophobicContact CE2-CZ3 3.66Å; F158-W161 HydrophobicContact CZ-CZ3 4.34Å; F158-W161 PolarHBondContact O-N 3.45Å; W161-K164 PolarHBondContact O-N 2.83Å; W161-M165 HydrophobicContact CD2-CG 4.07Å; W161-M165 VanDerWaalsContact CE2-CG 3.48Å; W161-M165 HydrophobicContact CG-CG 4.47Å; W161-M165 HydrophobicContact CH2-CG 4.22Å; W161-M165 HydrophobicContact CZ2-CG 3.59Å; W161-M165 HydrophobicContact CZ2-SD 4.43Å; W161-M165 WeakPolarHBondContact O-CG 3.37Å; W161-M165 PolarHBondContact O-N 3.3Å; W161-V474 HydrophobicContact CH2-CB 3.82Å; W161-V474 HydrophobicContact CH2-CG1 3.74Å; W161-V474 HydrophobicContact CZ3-CB 4.45Å; W161-V474 HydrophobicContact CZ3-CG1 4.01Å
162K96.4Very high96Very high104 Ų10486.7 Ų86.745%0.45242%0.42SS..Hα-helixtrans-62.4-46.6178.4174.2-170.1170.7-167.70111.1F158 D159 M165 L166F158-K162 HydrophobicContact CE1-CD 4.17Å; F158-K162 WeakPolarHBondContact O-CB 3.47Å; F158-K162 PolarHBondContact O-N 3.06Å; D159-K162 PolarHBondContact O-N 2.89Å; K162-M165 PolarHBondContact O-N 3.3Å; K162-L166 WeakPolarHBondContact O-CB 3.37Å; K162-L166 PolarHBondContact O-N 3.42Å
163E97.4Very high95.8Very high135 Ų13586 Ų8663%0.63141%0.41SS*.Hα-helixtrans-55.9-50.6173.9-179.3177.8-164.100110.5D159 M165 L166 Q167D159-E163 WeakPolarHBondContact O-CB 3.43Å; D159-E163 PolarHBondContact O-N 3.32Å; E163-M165 PolarHBondContact O-N 3.45Å; E163-L166 PolarHBondContact O-N 2.86Å; E163-Q167 PolarHBondContact O-N 3.18Å
164K96.7Very high95.8Very high110 Ų11089.3 Ų89.348%0.47842%0.422SS..Hα-helixtrans-59.6-44.1177.5178.3169.2167.751.70113L160 W161 L166 Q167 D168L160-K164 WeakPolarHBondContact O-CB 3.38Å; L160-K164 PolarHBondContact O-N 2.93Å; W161-K164 PolarHBondContact O-N 2.83Å; K164-L166 VanDerWaalsContact C-N 3.3Å; K164-L166 PolarHBondContact O-N 2.67Å; K164-Q167 PolarHBondContact O-N 3.19Å; K164-D168 WeakPolarHBondContact CE-OD2 3.22Å; K164-D168 IonicContact NZ-OD1 2.69Å; K164-D168 PolarHBondContact NZ-OD1 2.83Å; K164-D168 IonicContact NZ-OD2 2.78Å; K164-D168 PolarHBondContact NZ-OD2 3.48Å; K164-D168 WeakPolarHBondContact O-CB 3.33Å; K164-D168 VanDerWaalsContact O-CG 3.25Å; K164-D168 PolarHBondContact O-N 3.43Å
165M95.6Very high95.7Very high39 Ų3987.6 Ų87.619%0.19241%0.405CS..Hα-helixtrans-65.5-34.6179-69.1-59.891.900112.1W161 K162 E163 D168 T169 A475W161-M165 HydrophobicContact CD2-CG 4.07Å; W161-M165 VanDerWaalsContact CE2-CG 3.48Å; W161-M165 HydrophobicContact CG-CG 4.47Å; W161-M165 HydrophobicContact CH2-CG 4.22Å; W161-M165 HydrophobicContact CZ2-CG 3.59Å; W161-M165 HydrophobicContact CZ2-SD 4.43Å; W161-M165 WeakPolarHBondContact O-CG 3.37Å; W161-M165 PolarHBondContact O-N 3.3Å; K162-M165 PolarHBondContact O-N 3.3Å; E163-M165 PolarHBondContact O-N 3.45Å; M165-D168 WeakPolarHBondContact CE-OD2 3.39Å; M165-T169 VanDerWaalsContact O-CB 3.3Å; M165-T169 WeakPolarHBondContact O-CB 3.29Å; M165-T169 PolarHBondContact O-N 3.21Å; M165-T169 PolarHBondContact O-OG1 3.34Å; M165-A475 HydrophobicContact CB-CB 4.38Å; M165-A475 HydrophobicContact CG-CB 4.21Å; M165-A475 HydrophobicContact SD-CB 4Å
166L96.4Very high95.6Very high79 Ų7993.4 Ų93.441%0.41443%0.425SS..Hα-helixtrans-69.3-42.7175.8-153.570.1000111.2K162 E163 K164 T169 E170 L478 I482K162-L166 WeakPolarHBondContact O-CB 3.37Å; K162-L166 PolarHBondContact O-N 3.42Å; E163-L166 PolarHBondContact O-N 2.86Å; K164-L166 VanDerWaalsContact C-N 3.3Å; K164-L166 PolarHBondContact O-N 2.67Å; L166-T169 WeakPolarHBondContact O-CB 3.49Å; L166-T169 PolarHBondContact O-N 3.06Å; L166-E170 PolarHBondContact O-N 3.39Å; L166-L478 HydrophobicContact CD1-CD1 4.27Å; L166-L478 HydrophobicContact CD1-CD2 4.05Å; L166-I482 HydrophobicContact CD1-CD1 3.97Å
167Q96.8Very high95.4Very high97 Ų9794.1 Ų94.145%0.45343%0.427SS..Hα-helixtrans-63.5-49175.1-175.359.344.900112.1E163 K164 T169 E170 D171E163-Q167 PolarHBondContact O-N 3.18Å; K164-Q167 PolarHBondContact O-N 3.19Å; Q167-T169 PolarHBondContact O-N 3.43Å; Q167-E170 WeakPolarHBondContact O-CB 3.46Å; Q167-E170 PolarHBondContact O-N 3.08Å; Q167-D171 PolarHBondContact NE2-OD1 2.9Å; Q167-D171 PolarHBondContact NE2-OD2 3.17Å; Q167-D171 PolarHBondContact O-N 2.7Å
168D95.4Very high95.2Very high68 Ų6893.7 Ų93.736%0.36442%0.421SS..Hα-helixtrans-58.7-34.5176.3-72.7-2.2000111.3K164 M165 K172K164-D168 WeakPolarHBondContact CE-OD2 3.22Å; K164-D168 IonicContact NZ-OD1 2.69Å; K164-D168 PolarHBondContact NZ-OD1 2.83Å; K164-D168 IonicContact NZ-OD2 2.78Å; K164-D168 PolarHBondContact NZ-OD2 3.48Å; K164-D168 WeakPolarHBondContact O-CB 3.33Å; K164-D168 VanDerWaalsContact O-CG 3.25Å; K164-D168 PolarHBondContact O-N 3.43Å; M165-D168 WeakPolarHBondContact CE-OD2 3.39Å; D168-K172 VanDerWaalsContact O-CB 3.23Å; D168-K172 WeakPolarHBondContact O-CB 3.49Å; D168-K172 PolarHBondContact O-N 2.9Å
169T94.8Very high94.9Very high20 Ų2092.3 Ų92.312%0.12342%0.416CS..Hα-helixtrans-70.2-39.2175.4-60.60000112.1M165 L166 Q167 R173 I482M165-T169 VanDerWaalsContact O-CB 3.3Å; M165-T169 WeakPolarHBondContact O-CB 3.29Å; M165-T169 PolarHBondContact O-N 3.21Å; M165-T169 PolarHBondContact O-OG1 3.34Å; L166-T169 WeakPolarHBondContact O-CB 3.49Å; L166-T169 PolarHBondContact O-N 3.06Å; Q167-T169 PolarHBondContact O-N 3.43Å; T169-R173 PolarHBondContact O-N 2.88Å; T169-I482 HydrophobicContact CG2-CD1 4.2Å
170E94.5Very high94.6Very high55 Ų5595.5 Ų95.526%0.25743%0.427SS..Hα-helixtrans-66.4-48.6175.8-171.258.2-13400111.6L166 Q167 K172 R173 K174L166-E170 PolarHBondContact O-N 3.39Å; Q167-E170 WeakPolarHBondContact O-CB 3.46Å; Q167-E170 PolarHBondContact O-N 3.08Å; E170-K172 VanDerWaalsContact C-N 3.34Å; E170-K172 PolarHBondContact O-N 2.96Å; E170-R173 VanDerWaalsContact CD-NH1 3.28Å; E170-R173 WeakPolarHBondContact O-CA 3.33Å; E170-R173 WeakPolarHBondContact O-CB 3.5Å; E170-R173 PolarHBondContact O-N 3Å; E170-R173 IonicContact OE1-CZ 3.81Å; E170-R173 IonicContact OE1-NH1 3.8Å; E170-R173 PolarHBondContact OE1-NH1 3.2Å; E170-R173 IonicContact OE2-CZ 2.75Å; E170-R173 IonicContact OE2-NH1 3.7Å; E170-R173 PolarHBondContact OE2-NH1 3.33Å; E170-R173 IonicContact OE2-NH2 2.7Å; E170-R173 PolarHBondContact OE2-NH2 3.43Å; E170-K174 HydrophobicContact CG-CD 4.2Å; E170-K174 PolarHBondContact O-N 2.87Å; E170-K174 VanDerWaalsContact OE1-CE 3.27Å; E170-K174 WeakPolarHBondContact OE1-CE 3.48Å; E170-K174 IonicContact OE1-NZ 2.75Å
171D95.3Very high94.2Very high73 Ų7397.3 Ų97.339%0.3943%0.433SS..Hα-helixtrans-64.9-38.7-179.5-68.2-26.2000111.4Q167 R173 K174 E175Q167-D171 PolarHBondContact NE2-OD1 2.9Å; Q167-D171 PolarHBondContact NE2-OD2 3.17Å; Q167-D171 PolarHBondContact O-N 2.7Å; D171-R173 VanDerWaalsContact C-N 3.29Å; D171-R173 PolarHBondContact O-N 3.33Å; D171-K174 PolarHBondContact O-N 2.9Å; D171-E175 VanDerWaalsContact O-CB 3.29Å; D171-E175 WeakPolarHBondContact O-CB 3.31Å; D171-E175 PolarHBondContact O-N 2.91Å
172K95Very high93.5Very high138 Ų13898.5 Ų98.560%0.644%0.442SS*.Hα-helixtrans-63.4-32.5172.5-169.3170.6-176177.60112.6D168 E170 K176D168-K172 VanDerWaalsContact O-CB 3.23Å; D168-K172 WeakPolarHBondContact O-CB 3.49Å; D168-K172 PolarHBondContact O-N 2.9Å; E170-K172 VanDerWaalsContact C-N 3.34Å; E170-K172 PolarHBondContact O-N 2.96Å; K172-K176 WeakPolarHBondContact O-CB 3.31Å; K172-K176 PolarHBondContact O-N 3.47Å
173R91.7Very high92.8Very high50 Ų50100.6 Ų100.619%0.18945%0.451CS..Hα-helixtrans-71.9-46.3174.7-161-171.6-42.9118.930.9111.6T169 E170 D171 K176 R177T169-R173 PolarHBondContact O-N 2.88Å; E170-R173 VanDerWaalsContact CD-NH1 3.28Å; E170-R173 WeakPolarHBondContact O-CA 3.33Å; E170-R173 WeakPolarHBondContact O-CB 3.5Å; E170-R173 PolarHBondContact O-N 3Å; E170-R173 IonicContact OE1-CZ 3.81Å; E170-R173 IonicContact OE1-NH1 3.8Å; E170-R173 PolarHBondContact OE1-NH1 3.2Å; E170-R173 IonicContact OE2-CZ 2.75Å; E170-R173 IonicContact OE2-NH1 3.7Å; E170-R173 PolarHBondContact OE2-NH1 3.33Å; E170-R173 IonicContact OE2-NH2 2.7Å; E170-R173 PolarHBondContact OE2-NH2 3.43Å; D171-R173 VanDerWaalsContact C-N 3.29Å; D171-R173 PolarHBondContact O-N 3.33Å; R173-K176 PolarHBondContact O-N 2.89Å; R173-R177 PolarHBondContact O-N 3.49Å
174K95.7Very high91.6Very high113 Ų113102.8 Ų102.849%0.49145%0.453SS..Hα-helixtrans-61.5-44.5177-72.3171.2178.7164.40111.6E170 D171 K176 R177 R178E170-K174 HydrophobicContact CG-CD 4.2Å; E170-K174 PolarHBondContact O-N 2.87Å; E170-K174 VanDerWaalsContact OE1-CE 3.27Å; E170-K174 WeakPolarHBondContact OE1-CE 3.48Å; E170-K174 IonicContact OE1-NZ 2.75Å; D171-K174 PolarHBondContact O-N 2.9Å; K174-K176 PolarHBondContact O-N 3.41Å; K174-R177 WeakPolarHBondContact O-CB 3.49Å; K174-R177 PolarHBondContact O-N 3.24Å; K174-R177 VanDerWaalsContact O-N 3.16Å; K174-R178 PolarHBondContact O-N 3.31Å
175E93.8Very high90.4Very high66 Ų66101.4 Ų101.431%0.30845%0.451SS..Hα-helixtrans-62.5-40.7176.3177.956.4-16700112.1D171 R177 R178 Q179D171-E175 VanDerWaalsContact O-CB 3.29Å; D171-E175 WeakPolarHBondContact O-CB 3.31Å; D171-E175 PolarHBondContact O-N 2.91Å; E175-R177 VanDerWaalsContact C-N 3.33Å; E175-R177 PolarHBondContact O-N 3.19Å; E175-R178 VanDerWaalsContact CD-NH2 3.32Å; E175-R178 PolarHBondContact O-N 3.26Å; E175-R178 IonicContact OE1-NH2 2.71Å; E175-R178 PolarHBondContact OE1-NH2 3.39Å; E175-R178 IonicContact OE2-CZ 3.18Å; E175-R178 IonicContact OE2-NE 3.42Å; E175-R178 PolarHBondContact OE2-NE 3.31Å; E175-R178 IonicContact OE2-NH2 3.54Å; E175-R178 PolarHBondContact OE2-NH2 3.04Å; E175-Q179 WeakPolarHBondContact O-CG 3.48Å; E175-Q179 PolarHBondContact O-N 3.31Å; E175-Q179 WeakPolarHBondContact OE1-CG 3.31Å; E175-Q179 PolarHBondContact OE1-NE2 2.85Å
176K93.3Very high88.9Confident162 Ų162102.6 Ų102.670%0.70446%0.458SS*.Hα-helixtrans-62-38.6174-173.4-177.1177.5-171.40112.3K172 R173 K174 K180K172-K176 WeakPolarHBondContact O-CB 3.31Å; K172-K176 PolarHBondContact O-N 3.47Å; R173-K176 PolarHBondContact O-N 2.89Å; K174-K176 PolarHBondContact O-N 3.41Å; K176-K180 PolarHBondContact O-N 2.94Å
177R91.6Very high87Confident145 Ų145101.1 Ų101.155%0.54746%0.462SS..Hα-helixtrans-64.1-50.4173.2-74.7-178.7168-177.2-7.4110.6R173 K174 E175 Q179 K180 E181 D490R173-R177 PolarHBondContact O-N 3.49Å; K174-R177 WeakPolarHBondContact O-CB 3.49Å; K174-R177 PolarHBondContact O-N 3.24Å; K174-R177 VanDerWaalsContact O-N 3.16Å; E175-R177 VanDerWaalsContact C-N 3.33Å; E175-R177 PolarHBondContact O-N 3.19Å; R177-Q179 VanDerWaalsContact C-N 3.34Å; R177-Q179 PolarHBondContact O-N 3.13Å; R177-K180 WeakPolarHBondContact O-CB 3.44Å; R177-K180 PolarHBondContact O-N 3.18Å; R177-E181 PolarHBondContact O-N 2.98Å; R177-D490 IonicContact NH2-OD2 3.24Å
178R92.9Very high85.2Confident154 Ų154102 Ų10258%0.58147%0.474SS*.Hα-helixtrans-57.2-41.1177.3-168177.970.8127.85.5113K174 E175 E181 Q182K174-R178 PolarHBondContact O-N 3.31Å; E175-R178 VanDerWaalsContact CD-NH2 3.32Å; E175-R178 PolarHBondContact O-N 3.26Å; E175-R178 IonicContact OE1-NH2 2.71Å; E175-R178 PolarHBondContact OE1-NH2 3.39Å; E175-R178 IonicContact OE2-CZ 3.18Å; E175-R178 IonicContact OE2-NE 3.42Å; E175-R178 PolarHBondContact OE2-NE 3.31Å; E175-R178 IonicContact OE2-NH2 3.54Å; E175-R178 PolarHBondContact OE2-NH2 3.04Å; R178-E181 PolarHBondContact O-N 3.14Å; R178-Q182 WeakPolarHBondContact O-CB 2.94Å; R178-Q182 PolarHBondContact O-N 3.1Å
179Q89.8Confident83.1Confident85 Ų85104 Ų10440%0.39749%0.489SS..Hα-helixtrans-68.8-32.8175.5-72.1-176.624.400113.5E175 R177 K183E175-Q179 WeakPolarHBondContact O-CG 3.48Å; E175-Q179 PolarHBondContact O-N 3.31Å; E175-Q179 WeakPolarHBondContact OE1-CG 3.31Å; E175-Q179 PolarHBondContact OE1-NE2 2.85Å; R177-Q179 VanDerWaalsContact C-N 3.34Å; R177-Q179 PolarHBondContact O-N 3.13Å; Q179-K183 WeakPolarHBondContact O-CB 3.48Å; Q179-K183 WeakPolarHBondContact O-CD 3.4Å; Q179-K183 VanDerWaalsContact O-CG 3.23Å; Q179-K183 WeakPolarHBondContact O-CG 3.47Å; Q179-K183 PolarHBondContact O-N 2.93Å; Q179-K183 VanDerWaalsContact O-N 3.11Å
180K90.1Very high81.2Confident139 Ų139111.5 Ų111.560%0.60452%0.515SS*.Hα-helixtrans-66.4-41.9173.8-176-175.6177.1-172.60110.4K176 R177 R184K176-K180 PolarHBondContact O-N 2.94Å; R177-K180 WeakPolarHBondContact O-CB 3.44Å; R177-K180 PolarHBondContact O-N 3.18Å; K180-R184 PolarHBondContact O-N 3.01Å; K180-R184 VanDerWaalsContact O-N 3.13Å
181E87.4Confident79.1Confident121 Ų121117 Ų11757%0.56554%0.541SS*.Hα-helixtrans-66.7-49.9176.4-174.7175.1-165.900112.1R177 R178 K183 R184 I185R177-E181 PolarHBondContact O-N 2.98Å; R178-E181 PolarHBondContact O-N 3.14Å; E181-K183 PolarHBondContact O-N 3.36Å; E181-R184 WeakPolarHBondContact O-CA 3.45Å; E181-R184 WeakPolarHBondContact O-CB 3.41Å; E181-R184 PolarHBondContact O-N 2.89Å; E181-I185 HydrophobicContact CG-CD1 4.03Å; E181-I185 WeakPolarHBondContact O-CG1 3.44Å; E181-I185 PolarHBondContact O-N 3.29Å
182Q82.9Confident77Confident115 Ų115120.2 Ų120.254%0.53756%0.563SS.*Hα-helixtrans-57.3-35.9176.3-170.564.158.800112.3R178 D186R178-Q182 WeakPolarHBondContact O-CB 2.94Å; R178-Q182 PolarHBondContact O-N 3.1Å; Q182-D186 VanDerWaalsContact O-CB 3.29Å; Q182-D186 WeakPolarHBondContact O-CB 3.24Å; Q182-D186 PolarHBondContact O-N 3.09Å
183K81.1Confident75.1Confident149 Ų149122.4 Ų122.465%0.64857%0.572SS**Hα-helixtrans-71.2-29.2173.8-76.1172.4-177.8173.90113.5Q179 E181 G187Q179-K183 WeakPolarHBondContact O-CB 3.48Å; Q179-K183 WeakPolarHBondContact O-CD 3.4Å; Q179-K183 VanDerWaalsContact O-CG 3.23Å; Q179-K183 WeakPolarHBondContact O-CG 3.47Å; Q179-K183 PolarHBondContact O-N 2.93Å; Q179-K183 VanDerWaalsContact O-N 3.11Å; E181-K183 PolarHBondContact O-N 3.36Å; K183-G187 PolarHBondContact O-N 3.22Å
184R73.9Confident73.6Confident180 Ų180128.9 Ų128.968%0.67960%0.602SS**Hα-helixtrans-69.9-46170.9-76.7-176.6167.2-142.4-3.4110.7K180 E181 G187 T188K180-R184 PolarHBondContact O-N 3.01Å; K180-R184 VanDerWaalsContact O-N 3.13Å; E181-R184 WeakPolarHBondContact O-CA 3.45Å; E181-R184 WeakPolarHBondContact O-CB 3.41Å; E181-R184 PolarHBondContact O-N 2.89Å; R184-G187 CarbonylContact O-C 3.57Å; R184-G187 WeakPolarHBondContact O-CA 3.36Å; R184-G187 PolarHBondContact O-N 2.87Å; R184-T188 PolarHBondContact O-N 3.49Å; R184-T188 PolarHBondContact O-OG1 3.1Å
185I71.6Confident71.6Confident82 Ų82129.8 Ų129.842%0.42162%0.616SS.*Hα-helixtrans-64.6-49.2179.7-62.5168.6000111.1E181 G187 T188 T189E181-I185 HydrophobicContact CG-CD1 4.03Å; E181-I185 WeakPolarHBondContact O-CG1 3.44Å; E181-I185 PolarHBondContact O-N 3.29Å; I185-G187 VanDerWaalsContact C-N 3.25Å; I185-G187 PolarHBondContact O-N 2.76Å; I185-T188 WeakPolarHBondContact CA-OG1 3.4Å; I185-T188 PolarHBondContact O-N 3.13Å; I185-T188 PolarHBondContact O-OG1 2.82Å; I185-T189 PolarHBondContact O-N 2.9Å; I185-T189 PolarHBondContact O-OG1 3.33Å
186D62.2Low69.9Low63 Ų63137.7 Ų137.734%0.33764%0.644SS.*Hα-helixtrans-62.3-33.4173.6-179.649.7000111.9Q182 T188 T189 R190Q182-D186 VanDerWaalsContact O-CB 3.29Å; Q182-D186 WeakPolarHBondContact O-CB 3.24Å; Q182-D186 PolarHBondContact O-N 3.09Å; D186-T188 VanDerWaalsContact C-N 3.29Å; D186-T188 PolarHBondContact O-N 3.29Å; D186-T189 PolarHBondContact O-N 3Å; D186-R190 WeakPolarHBondContact O-CG 3.17Å; D186-R190 PolarHBondContact O-N 3.34Å; D186-R190 IonicContact OD1-NE 3.18Å; D186-R190 PolarHBondContact OD1-NE 2.93Å; D186-R190 IonicContact OD1-NH2 3.97Å; D186-R190 IonicContact OD2-CZ 2.87Å; D186-R190 IonicContact OD2-NE 3.42Å; D186-R190 PolarHBondContact OD2-NE 3.04Å; D186-R190 IonicContact OD2-NH2 3.19Å; D186-R190 PolarHBondContact OD2-NH2 3.24Å
187G58.3Low68.3Low49 Ų49139.4 Ų139.451%0.50565%0.651SS.*Hα-helixtrans-64.2-27.9172.300000114.4K183 R184 I185K183-G187 PolarHBondContact O-N 3.22Å; R184-G187 CarbonylContact O-C 3.57Å; R184-G187 WeakPolarHBondContact O-CA 3.36Å; R184-G187 PolarHBondContact O-N 2.87Å; I185-G187 VanDerWaalsContact C-N 3.25Å; I185-G187 PolarHBondContact O-N 2.76Å
188T58.3Low66.6Low116 Ų116136.7 Ų136.771%0.71266%0.659SS**Hα-helixtrans-87.2-22.4172.739.80000114.2R184 I185 D186R184-T188 PolarHBondContact O-N 3.49Å; R184-T188 PolarHBondContact O-OG1 3.1Å; I185-T188 WeakPolarHBondContact CA-OG1 3.4Å; I185-T188 PolarHBondContact O-N 3.13Å; I185-T188 PolarHBondContact O-OG1 2.82Å; D186-T188 VanDerWaalsContact C-N 3.29Å; D186-T188 PolarHBondContact O-N 3.29Å
189T51.6Low65.1Low110 Ų110138.6 Ų138.668%0.67567%0.667SS**Hα-helixtrans-90.8-27179.3-50.20000113.2I185 D186 E191I185-T189 PolarHBondContact O-N 2.9Å; I185-T189 PolarHBondContact O-OG1 3.33Å; D186-T189 PolarHBondContact O-N 3Å; T189-E191 PolarHBondContact O-N 3.14Å
190R53.8Low64Low176 Ų176140.4 Ų140.466%0.66468%0.679SS**SBendtrans-62.8112.2164.5-70.5174.6-164.6-134.15.3107.8D186D186-R190 WeakPolarHBondContact O-CG 3.17Å; D186-R190 PolarHBondContact O-N 3.34Å; D186-R190 IonicContact OD1-NE 3.18Å; D186-R190 PolarHBondContact OD1-NE 2.93Å; D186-R190 IonicContact OD1-NH2 3.97Å; D186-R190 IonicContact OD2-CZ 2.87Å; D186-R190 IonicContact OD2-NE 3.42Å; D186-R190 PolarHBondContact OD2-NE 3.04Å; D186-R190 IonicContact OD2-NH2 3.19Å; D186-R190 PolarHBondContact OD2-NH2 3.24Å
191E50.1Low63Low171 Ų171140.7 Ų140.780%0.79968%0.676SS**  trans-8.4147.9177.8-62.8-179.1117.900117T189 K193T189-E191 PolarHBondContact O-N 3.14Å; E191-K193 WeakPolarHBondContact O-CA 3.4Å; E191-K193 PolarHBondContact O-N 3Å
192V52.9Low62.3Low141 Ų141144 Ų14486%0.85568%0.683SS**  trans-49.488.2153-179.90000108.7K194V192-K194 PolarHBondContact O-N 3.3Å
193K55.1Low61.6Low184 Ų184146 Ų14680%0.869%0.693SS**  trans-76.782.1-172.4-177.8174.4-175.2172.20105.3E191 V195E191-K193 WeakPolarHBondContact O-CA 3.4Å; E191-K193 PolarHBondContact O-N 3Å; K193-V195 PolarHBondContact O-N 3.42Å
194K60.1Low61.2Low185 Ų185141.3 Ų141.380%0.80467%0.673SS**  trans-29.7102.6-172.6-69.1178.2-178.8174.10107.6V192 R196V192-K194 PolarHBondContact O-N 3.3Å; K194-R196 PolarHBondContact O-N 2.95Å
195V52.3Low61.2Low132 Ų132140.9 Ų140.980%0.867%0.672SS**  trans-49.5117.1-175.7173.10000104.7K193 K197K193-V195 PolarHBondContact O-N 3.42Å; V195-K197 PolarHBondContact O-N 2.84Å
196R58.3Low61.3Low233 Ų233141.4 Ų141.488%0.87968%0.675SS**  trans-60.1100.6178.3-91.4-169.2170.8105.9-2.5104.8K194 A198K194-R196 PolarHBondContact O-N 2.95Å; R196-A198 PolarHBondContact O-N 2.99Å
197K60Low61.7Low198 Ų198142.2 Ų142.286%0.86168%0.678SS**  trans-46.6113.5-171.7-172.5176.7-174.2176.80106.2V195 R199V195-K197 PolarHBondContact O-N 2.84Å; K197-R199 PolarHBondContact O-N 3.35Å
198A56.1Low62.1Low87 Ų87145.1 Ų145.172%0.71968%0.68SS**  trans-51113.8-170.100000107.6R196 N200R196-A198 PolarHBondContact O-N 2.99Å; A198-N200 PolarHBondContact O-N 2.89Å
199R61Low62.8Low195 Ų195143.5 Ų143.574%0.73668%0.678SS**  trans-60.9107.4-171177.1177.3174.2155-1.4106.6K197 R201 E204K197-R199 PolarHBondContact O-N 3.35Å; R199-R201 VanDerWaalsContact C-N 3.25Å; R199-R201 PolarHBondContact O-N 3.24Å; R199-E204 IonicContact CZ-OE1 3.09Å; R199-E204 IonicContact NE-OE1 2.68Å; R199-E204 PolarHBondContact NE-OE1 2.9Å; R199-E204 IonicContact NH2-OE1 2.72Å; R199-E204 PolarHBondContact NH2-OE1 3.3Å
200N66.6Low63.5Low122 Ų122144.3 Ų144.365%0.65267%0.67SS**  trans-72.187.4-171.2-170.8-15.5000108.9A198 R202A198-N200 PolarHBondContact O-N 2.89Å; N200-R202 PolarHBondContact O-N 3.42Å; N200-R202 WeakPolarHBondContact OD1-CB 3.33Å; N200-R202 PolarHBondContact OD1-N 2.88Å
201R68.5Low63.6Low146 Ų146142 Ų14255%0.55167%0.67SS**THydrogen-bonded Turntrans-67.3-4.7-175.6-150.5-179.4-69.2-142.84.5112.3R199 Q203 E204 W205R199-R201 VanDerWaalsContact C-N 3.25Å; R199-R201 PolarHBondContact O-N 3.24Å; R201-Q203 PolarHBondContact O-N 2.91Å; R201-E204 HydrophobicContact CG-CB 3.92Å; R201-E204 VanDerWaalsContact CG-OE2 3.29Å; R201-E204 WeakPolarHBondContact CG-OE2 3.38Å; R201-E204 PolarHBondContact O-N 3.36Å; R201-E204 VanDerWaalsContact O-N 3.1Å; R201-W205 PolarHBondContact O-N 3.04Å
202R72.6Confident64Low189 Ų189143.1 Ų143.171%0.71367%0.673SS**Hα-helixtrans-53.5-36.7174.5-175.5176.5-70.3-88.21.2112.1N200 N206N200-R202 PolarHBondContact O-N 3.42Å; N200-R202 WeakPolarHBondContact OD1-CB 3.33Å; N200-R202 PolarHBondContact OD1-N 2.88Å; R202-N206 WeakPolarHBondContact O-CB 3.45Å; R202-N206 PolarHBondContact O-N 3.44Å
203Q68.6Low64.3Low159 Ų159145.3 Ų145.374%0.74367%0.674SS**Hα-helixtrans-72.3-37.5179.8-150.317112.700111.9R201 M207R201-Q203 PolarHBondContact O-N 2.91Å; Q203-M207 VanDerWaalsContact O-CB 3.3Å; Q203-M207 WeakPolarHBondContact O-CB 3.49Å; Q203-M207 PolarHBondContact O-N 3.16Å
204E72.6Confident64.4Low49 Ų49143 Ų14323%0.22967%0.669CS.*Hα-helixtrans-66.6-46.8171.7-76.1165.8-14700111.8R199 R201 M207 M208R199-E204 IonicContact CZ-OE1 3.09Å; R199-E204 IonicContact NE-OE1 2.68Å; R199-E204 PolarHBondContact NE-OE1 2.9Å; R199-E204 IonicContact NH2-OE1 2.72Å; R199-E204 PolarHBondContact NH2-OE1 3.3Å; R201-E204 HydrophobicContact CG-CB 3.92Å; R201-E204 VanDerWaalsContact CG-OE2 3.29Å; R201-E204 WeakPolarHBondContact CG-OE2 3.38Å; R201-E204 PolarHBondContact O-N 3.36Å; R201-E204 VanDerWaalsContact O-N 3.1Å; E204-M207 PolarHBondContact O-N 3.03Å; E204-M208 HydrophobicContact CB-CE 4.48Å; E204-M208 VanDerWaalsContact O-CG 3.3Å; E204-M208 WeakPolarHBondContact O-CG 3.29Å; E204-M208 PolarHBondContact O-N 3.07Å
205W73.9Confident64.5Low171 Ų171138.9 Ų138.965%0.64865%0.649SS**Hα-helixtrans-62.8-42.3177.1-76.7118000112.6R201 M207 M208 A209R201-W205 PolarHBondContact O-N 3.04Å; W205-M207 VanDerWaalsContact C-N 3.34Å; W205-M208 CarbonylContact O-C 3.52Å; W205-M208 PolarHBondContact O-N 2.85Å; W205-A209 WeakPolarHBondContact O-CB 3.23Å; W205-A209 PolarHBondContact O-N 2.86Å
206N73.8Confident64.7Low94 Ų94137.5 Ų137.550%0.50364%0.643SS.*Hα-helixtrans-63.6-42.6175.1-167.2-1.4000110.4R202 M208 A209 Y210R202-N206 WeakPolarHBondContact O-CB 3.45Å; R202-N206 PolarHBondContact O-N 3.44Å; N206-M208 VanDerWaalsContact C-N 3.3Å; N206-M208 PolarHBondContact O-N 2.87Å; N206-A209 WeakPolarHBondContact O-CB 3.37Å; N206-A209 PolarHBondContact O-N 3.39Å; N206-A209 VanDerWaalsContact O-N 3.07Å; N206-Y210 VanDerWaalsContact O-CD2 3.29Å; N206-Y210 WeakPolarHBondContact O-CD2 3.36Å; N206-Y210 PolarHBondContact O-N 3.11Å
207M71.9Confident64.2Low79 Ų79131.9 Ų131.939%0.38963%0.63SS.*Hα-helixtrans-66.3-30.2175.7-149-161.3-48.700112.9Q203 E204 W205 R215Q203-M207 VanDerWaalsContact O-CB 3.3Å; Q203-M207 WeakPolarHBondContact O-CB 3.49Å; Q203-M207 PolarHBondContact O-N 3.16Å; E204-M207 PolarHBondContact O-N 3.03Å; W205-M207 VanDerWaalsContact C-N 3.34Å; M207-R215 HydrophobicContact CG-CG 4.05Å; M207-R215 VanDerWaalsContact CG-NE 3.35Å; M207-R215 PolarHBondContact O-NE 3.05Å; M207-R215 PolarHBondContact O-NH1 3.33Å; M207-R215 PolarHBondContact SD-NE 2.75Å; M207-R215 PolarHBondContact SD-NH2 2.7Å
208M66.9Low63.7Low111 Ų111129.3 Ų129.355%0.54763%0.625SS.*Hα-helixtrans-79.1-15.8171.2-68.5177.1-163.400114.1E204 W205 N206E204-M208 HydrophobicContact CB-CE 4.48Å; E204-M208 VanDerWaalsContact O-CG 3.3Å; E204-M208 WeakPolarHBondContact O-CG 3.29Å; E204-M208 PolarHBondContact O-N 3.07Å; W205-M208 CarbonylContact O-C 3.52Å; W205-M208 PolarHBondContact O-N 2.85Å; N206-M208 VanDerWaalsContact C-N 3.3Å; N206-M208 PolarHBondContact O-N 2.87Å
209A71.8Confident63.2Low82 Ų82134.5 Ų134.568%0.67863%0.627SS**Hα-helixtrans-83.6-13.8174.800000112.8W205 N206W205-A209 WeakPolarHBondContact O-CB 3.23Å; W205-A209 PolarHBondContact O-N 2.86Å; N206-A209 WeakPolarHBondContact O-CB 3.37Å; N206-A209 PolarHBondContact O-N 3.39Å; N206-A209 VanDerWaalsContact O-N 3.07Å
210Y66Low62.7Low126 Ų126133.6 Ų133.649%0.49464%0.635SS.*SBendtrans-72.9131164.1-78-87.5000110N206 L214N206-Y210 VanDerWaalsContact O-CD2 3.29Å; N206-Y210 WeakPolarHBondContact O-CD2 3.36Å; N206-Y210 PolarHBondContact O-N 3.11Å; Y210-L214 HydrophobicContact CD1-CB 4.45Å
211D57.4Low61.3Low127 Ų127132.2 Ų132.268%0.67964%0.635SS**  trans-62.5154.8171.7-163.111.9000110.9E213 L214D211-E213 PolarHBondContact O-N 2.94Å; D211-L214 PolarHBondContact O-N 2.9Å
212K57.3Low59.8Low196 Ų196134.4 Ų134.485%0.85265%0.652SS**THydrogen-bonded Turntrans-63.7-16.3-156.7-144.5169-176.9179.50114.6
213E59.2Low57.9Low186 Ų186130.5 Ų130.587%0.86965%0.653SS**THydrogen-bonded Turntrans-99.7-10.2-177.3-53.6-169.517800113.8D211D211-E213 PolarHBondContact O-N 2.94Å
214L56.8Low56.4Low135 Ų135128 Ų12871%0.70765%0.649SS**SBendtrans-114.87.5-176-70.3173.4000114.1Y210 D211Y210-L214 HydrophobicContact CD1-CB 4.45Å; D211-L214 PolarHBondContact O-N 2.9Å
215R63.8Low54.6Low100 Ų100136.4 Ų136.438%0.37768%0.68SS.*SBendtrans-77.2131.7178.2-163.4178.2-173.5131.2-2.5110.1M207 D217M207-R215 HydrophobicContact CG-CG 4.05Å; M207-R215 VanDerWaalsContact CG-NE 3.35Å; M207-R215 PolarHBondContact O-NE 3.05Å; M207-R215 PolarHBondContact O-NH1 3.33Å; M207-R215 PolarHBondContact SD-NE 2.75Å; M207-R215 PolarHBondContact SD-NH2 2.7Å; R215-D217 PolarHBondContact O-N 3.13Å; R215-D217 VanDerWaalsContact O-N 3.07Å
216P55.9Low52.8Low103 Ų103137.6 Ų137.667%0.66969%0.692SS**  trans-59116.1175.5-24.134000110.8N218P216-N218 PolarHBondContact O-N 3.21Å
217D47.2Very low50.7Low114 Ų114136.3 Ų136.361%0.6170%0.701SS**  trans-73109.5-174.5-150.9-4000109R215 R219R215-D217 PolarHBondContact O-N 3.13Å; R215-D217 VanDerWaalsContact O-N 3.07Å; D217-R219 HydrophobicContact CB-CG 4.48Å; D217-R219 PolarHBondContact O-N 3.02Å; D217-R219 IonicContact OD1-NE 3.47Å; D217-R219 WeakPolarHBondContact OD2-CD 3.39Å; D217-R219 IonicContact OD2-CZ 3.18Å; D217-R219 IonicContact OD2-NE 3.8Å; D217-R219 PolarHBondContact OD2-NE 3.2Å; D217-R219 IonicContact OD2-NH2 3.93Å
218N50.8Low48.8Very low144 Ų144136.6 Ų136.677%0.7772%0.716SS**  trans-78.143.8-178.3-159.199.1000111.6P216 L220P216-N218 PolarHBondContact O-N 3.21Å; N218-L220 PolarHBondContact O-N 2.72Å
219R45.5Very low47.3Very low197 Ų197137.1 Ų137.174%0.74373%0.731SS**  trans-83.581.1171.2-65.9-175.4-167.4-146.53.1109.4D217D217-R219 HydrophobicContact CB-CG 4.48Å; D217-R219 PolarHBondContact O-N 3.02Å; D217-R219 IonicContact OD1-NE 3.47Å; D217-R219 WeakPolarHBondContact OD2-CD 3.39Å; D217-R219 IonicContact OD2-CZ 3.18Å; D217-R219 IonicContact OD2-NE 3.8Å; D217-R219 PolarHBondContact OD2-NE 3.2Å; D217-R219 IonicContact OD2-NH2 3.93Å
220L50.2Low45.4Very low175 Ų175137.5 Ų137.592%0.91673%0.728SS**  trans-176.756.6155.8-101.1157000113N218N218-L220 PolarHBondContact O-N 2.72Å
221S37.5Very low43.9Very low93 Ų93140.2 Ų140.265%0.6575%0.745SS**SBendtrans-157.394.5156.161.70000111.8
222Q37.1Very low42.7Very low193 Ų193137.3 Ų137.390%0.90275%0.746SS**  trans60.8117.3171.3-75.3174.6-4.200115.6
223S31Very low41.6Very low106 Ų106133.6 Ų133.674%0.74175%0.745SS**  cis53.2111.232.2-150.40000111.4
224V38Very low40.3Very low108 Ų108133.1 Ų133.166%0.65575%0.747SS**  cis-145.1163.640-166.30000111.1
225Y34.3Very low39Very low224 Ų224132 Ų13288%0.87875%0.751SS**  trans83.780.7170.1-58.5-73000118.2
226H35.9Very low38.9Very low197 Ų197132 Ų13291%0.91276%0.764SS**  trans-105.6141.5152.8-135.2-47.8000108.3
227G30.1Very low37.8Very low67 Ų67133.6 Ų133.669%0.69177%0.767SS**  trans-153.3123.3171.900000112.5
228A32.9Very low37Very low85 Ų85134 Ų13470%0.70277%0.773SS**  trans62.5122.3177.300000115.9
229S33.8Very low36.1Very low122 Ų122138.1 Ų138.185%0.85378%0.778SS**  72.4139.165.5-57.10000112.4
230S32.9Very low35.4Very low89 Ų89133.3 Ų133.362%0.62278%0.775SS**  cis-159.5160.4-4.1-162.40000109.6
231E34.4Very low34.6Very low183 Ų183133.5 Ų133.586%0.85577%0.77SS**  trans54.9152.6148.5-76.8159.9121.200125
232G31.1Very low34.2Very low67 Ų67133.9 Ų133.969%0.69178%0.779SS**  trans82.8101.715200000116.5
233S35.4Very low34.2Very low118 Ų118129.8 Ų129.883%0.82577%0.772SS**  71.213966.7-64.40000116
234L32.1Very low34.3Very low176 Ų176131.8 Ų131.892%0.92177%0.774SS**  trans96.5122.5163.6-50.6-174.8000119.6
235S29.7Very low34Very low112 Ų112132.1 Ų132.178%0.78378%0.776SS**  trans-87.4-176.9152.5-1170000109.2
236P62Low34.1Very low100 Ų100127.7 Ų127.765%0.64977%0.772SS**  cis-133.1-167.3-28.833.1-12.2000112.5
237D31.6Very low33.8Very low136 Ų136125.6 Ų125.673%0.72777%0.768SS**  trans79.4121145.7-81.2-44.2000124.9
238T30.7Very low33.9Very low122 Ų122132.4 Ų132.475%0.74877%0.774SS**  trans75.9136136.966.10000124.3
239R32.1Very low33.8Very low231 Ų231132 Ų13287%0.87277%0.766SS**  trans82.293.9139.8-119.5167.9-170.3-160.42.4122.1
240S30.2Very low33.7Very low96 Ų96136.2 Ų136.267%0.67177%0.765SS**  81.5138.7118.4-67.90000123.7
241H33.5Very low34.3Very low179 Ų179136.8 Ų136.883%0.82977%0.767SS**  trans68.6109.1153.5-78.6-70.2000120.9
242A30.3Very low34.3Very low101 Ų101132.8 Ų132.884%0.83577%0.765SS**  -153136.5122.200000110.5
243S36.3Very low34.5Very low106 Ų106135.5 Ų135.574%0.74177%0.768SS**  trans-74.8178.3167.6-46.40000109.7
244D33.1Very low34.7Very low149 Ų149136 Ų13680%0.79777%0.769SS**  cis-169.5-171.725.6-159.7-12.1000109.1
245V32.4Very low34.7Very low115 Ų115133.9 Ų133.970%0.69776%0.758SS**  trans74.7119.7163.2172.80000115.7
246T35Very low34.9Very low130 Ų130135.6 Ų135.680%0.79875%0.754SS**  cis-156.9142.8-0.113.40000109.4
247D29.2Very low33.4Very low153 Ų153136.5 Ų136.582%0.81876%0.762SS**  trans-140.4139.2168.6-161-8.5000110.6
248Y33Very low33.3Very low211 Ų211138.5 Ų138.583%0.82777%0.772SS**  trans-160.6128.5178-106.1-95.4000106.5
249S30.2Very low33.3Very low75 Ų75140.3 Ų140.352%0.52477%0.771SS.*  cis-166140.5-0.1-127.60000112.6
250Y32Very low34Very low211 Ų211134.5 Ų134.583%0.82776%0.764SS**  trans58.1154.7137.7-87.9-118.5000121.8
251P45.5Very low33.8Very low102 Ų102137.7 Ų137.766%0.66277%0.768SS**  cis-136.9166.1-34.133.4-15.7000115.4
252A34.3Very low34.2Very low99 Ų99134.2 Ų134.282%0.81876%0.762SS**  trans-117.8131.3156.100000109.9
253T35Very low34.1Very low124 Ų124136.1 Ų136.176%0.76176%0.762SS**  trans-145.6171.517071.50000108.6
254P40Very low33.9Very low129 Ų129136.7 Ų136.784%0.83876%0.761SS**  -131.7-161-97.433.8-10.5000113.6
255N31.7Very low34.2Very low130 Ų130135.3 Ų135.370%0.69576%0.761SS**  trans-106.3165.9-161.6-149.5-10.6000113.3
256H34.2Very low34Very low149 Ų149134.7 Ų134.769%0.6976%0.761SS**  trans81.5110.7160.5-57.2-54.4000122.8
257S31.1Very low33.9Very low119 Ų119138.5 Ų138.583%0.83276%0.763SS**  21.5124.7123.7-48.80000120.6
258L29.6Very low34Very low177 Ų177138 Ų13893%0.92777%0.765SS**  trans-107.3147.9168.3-75.2171.5000113.4
259H30.6Very low33.9Very low160 Ų160132.6 Ų132.674%0.74176%0.764SS**  trans-105.9142.9177.1169.990.6000109.8
260P46.3Very low33.9Very low110 Ų110132.4 Ų132.471%0.71477%0.774SS**  trans-115.1122.7173.635.6-24.9000114.1
261Q27.2Very low33.8Very low162 Ų162130.3 Ų130.376%0.75778%0.777SS**  trans-145.5165.2151.2-85.6-50.3-16.100108
262P41.9Very low33.3Very low107 Ų107131.3 Ų131.370%0.69578%0.781SS**  trans-104.7173.3-133.240.6-34.6000114
263V27.2Very low34.2Very low140 Ų140131.8 Ų131.885%0.84878%0.776SS**  trans-174.9160.9134.8146.60000110.3
264T31.7Very low35.1Very low118 Ų118130.5 Ų130.572%0.72477%0.769SS**  trans-58.6158.4-170.252.50000118.3
265P39.6Very low34.8Very low120 Ų120133.7 Ų133.778%0.77977%0.773SS**  trans-83148.8169.435.4-33.8000112.8
266S28.2Very low34.8Very low102 Ų102131 Ų13171%0.71378%0.776SS**  trans-132.5156.7162.9-167.80000110.3
267Y32.6Very low35.4Very low210 Ų210130 Ų13082%0.82478%0.782SS**  trans-105.7168.6-156.619-93000112.9
268V32.5Very low35.5Very low144 Ų144128.6 Ų128.687%0.87378%0.779SS**  trans-83151.2-165.7-172.30000112.8
269A31.2Very low35.6Very low97 Ų97125.1 Ų125.180%0.80277%0.769SS**  trans-33.1147.3-178.500000120.3
270G29Very low35.7Very low71 Ų71126.4 Ų126.473%0.73278%0.775SS**  119.896.7114.300000117.9
271D31.2Very low34.9Very low167 Ų167125.4 Ų125.489%0.89378%0.776SS**  -166.2169.3122.5-115.9-32.5000112.8
272V34.2Very low35.2Very low123 Ų123122.2 Ų122.275%0.74578%0.777SS**  trans-139.6163.6-160.8168.90000108.2
273P52.4Low34.6Very low109 Ų109125.1 Ų125.171%0.70878%0.782SS**  cis-128.8-142.1-15.836-12.7000111.5
274P55.1Low34.8Very low96 Ų96125.1 Ų125.162%0.62377%0.772SS**  cis-130.3177-40.226.7-6.1000116.3
275H33Very low34.7Very low196 Ų196126.2 Ų126.291%0.90777%0.769SS**  trans75.5125.6145.9-68-43.5000122.7
276G31.5Very low34.2Very low75 Ų75130.4 Ų130.477%0.77377%0.771SS**  trans159.7119.2161.900000111.8
277P46.4Very low34.4Very low126 Ų126136.1 Ų136.182%0.81878%0.777SS**  trans-121.8167.9-157.343.6-34.5000118.1
278A34.7Very low35.8Very low91 Ų91131 Ų13175%0.75277%0.769SS**  trans94.4146.1136.500000122.9
279S30.8Very low36.2Very low104 Ų104130.4 Ų130.473%0.72777%0.768SS**  trans83.3112.7161.6-54.90000117.2
280Q33.8Very low36.4Very low187 Ų187131.6 Ų131.687%0.87477%0.771SS**  68141.462.5-68.4-172.719.300113.1
281A29.6Very low36.7Very low88 Ų88132.2 Ų132.273%0.72777%0.769SS**  cis-171.8-171.1-1300000108.5
282A32.4Very low36.7Very low95 Ų95130 Ų13079%0.78577%0.766SS**  trans72.3149.3171.400000117.4
283E30.5Very low36.7Very low169 Ų169127.9 Ų127.979%0.7976%0.762SS**  cis154.2151.5-30.1-97.3-162.8151.800108.8
284H31.5Very low35.9Very low140 Ų140133.4 Ų133.465%0.64877%0.768SS**  trans61.899.7165.1-70-70.3000122.7
285E28.6Very low35.1Very low140 Ų140135.8 Ų135.865%0.65477%0.771SS**  70156.9101.9-140.8177.1161.600122.9
286Y29.8Very low35Very low209 Ų209134.7 Ų134.782%0.8277%0.768SS**  trans84.6146.2171.6-81-89.6000121.2
287R32.2Very low35.2Very low222 Ų222135.2 Ų135.284%0.83877%0.765SS**  trans-143.8177.1-167.6-162.6-154.3177.5171.52.4107.6
288P60.9Low34.8Very low102 Ų102137.4 Ų137.466%0.66277%0.769SS**  -94.6-162.9-80.436.1-19.4000111.8
289P41.5Very low34.6Very low132 Ų132140 Ų14086%0.85777%0.771SS**  -146.2-175.592.636.9-18.1000115.6
290S35.2Very low34.7Very low121 Ų121145.8 Ų145.885%0.84678%0.776SS**  trans-109.2155.4-173.3175.30000112.5
291A35.4Very low35Very low84 Ų84142.1 Ų142.169%0.69477%0.769SS**  trans177.4143.5139.800000115.6
292S32Very low35.3Very low121 Ų121147 Ų14785%0.84678%0.777SS**  trans63.8154.1148.2-69.80000121.3
293A32.8Very low35.6Very low78 Ų78151 Ų15165%0.64578%0.779SS**  cis-172.6147.6-22.700000109.9
294R37Very low36.8Very low225 Ų225148.2 Ų148.285%0.84978%0.775SS**  trans46.1141.8144.4-60.5-174.4-176.91760.9119.2
295H36.7Very low37.7Very low147 Ų147147.2 Ų147.268%0.68178%0.781SS**  cis-176.6178.923.6-128.1-151.7000111.5
296M32.3Very low39.1Very low172 Ų172146.2 Ų146.285%0.84779%0.787SS**  trans95.1137.9158.9-70.5-62.6126.300122.3
297A34.4Very low40.5Very low86 Ų86141.8 Ų141.871%0.71178%0.784SS**  trans-116.2164.3-151.200000115.2
298L38Very low41.6Very low172 Ų172136.8 Ų136.890%0.90178%0.78SS**  trans-171.1176.2145.4-125.561.2000109.7
299N32.2Very low41.4Very low146 Ų146137.7 Ų137.778%0.78179%0.786SS**  -151.7168.5-80.5-169.67.5000110.5
300R32.2Very low41.8Very low225 Ų225137.5 Ų137.585%0.84979%0.785SS**  trans78.8156.1167.9-117.1-159.5171.6137.52.4118
301P38.9Very low42.2Very low110 Ų110141 Ų14171%0.71479%0.788SS**  -127.6157.4-87.140.8-27.6000115.2
302Q35.8Very low42.6Very low191 Ų191141.6 Ų141.689%0.89379%0.793SS**  trans-90.9150170.4-79.9-79.9-9.600111.9
303Q40.1Very low43.4Very low180 Ų180142 Ų14284%0.84179%0.793SS**  trans-107.5131.8179.7-168.4177.717.400109.9
304P55.5Low43.6Very low109 Ų109147.2 Ų147.271%0.70880%0.804SS**PPolyproline II helixtrans-80.1157178.832.3-34.4000112.5
305P50.5Low43.2Very low119 Ų119140.4 Ų140.477%0.77380%0.803SS**PPolyproline II helixtrans-73.1158.8179.931.2-36000113.1
306P57.7Low43.2Very low120 Ų120138.1 Ų138.178%0.77980%0.804SS**PPolyproline II helixtrans-77.1155.3-175.931.5-36000114
307P59.8Low43.2Very low116 Ų116138.8 Ų138.875%0.75381%0.805SS**PPolyproline II helixtrans-82.4162.5-179.934.2-36.5000114
308P54.2Low43.1Very low117 Ų117138.5 Ų138.576%0.7680%0.803SS**PPolyproline II helixtrans-73.3162174.531.6-36000113.3
309P56.2Low42.7Very low120 Ų120136.2 Ų136.278%0.77980%0.801SS**PPolyproline II helixtrans-76.5160.1-174.131.5-36.4000114.2
310P51.6Low42.8Very low129 Ų129133.7 Ų133.784%0.83880%0.8SS**PPolyproline II helixtrans-79.3145.3-172.8-9.927.6000113.8
311Q43.4Very low43.4Very low195 Ų195129.3 Ų129.391%0.91180%0.801SS**PPolyproline II helixtrans-88.3145.9161.9-68.3-176.9-55.700110.7
312A42.8Very low43.1Very low96 Ų96132.9 Ų132.979%0.79381%0.81SS**PPolyproline II helixtrans-87.5154.3173.900000111.4
313P48.4Very low43Very low130 Ų130128.2 Ų128.284%0.84480%0.804SS**PPolyproline II helixtrans-85.8166.8-167.534.7-37.1000115.1
314E36.9Very low43.2Very low187 Ų187125.8 Ų125.887%0.87480%0.804SS**PPolyproline II helixtrans-67159.3-178.5-64.2171.493.300115.5
315G30.4Very low42.4Very low81 Ų81125.2 Ų125.284%0.83581%0.809SS**  trans-149.8109.4161.500000110.5
316S35.5Very low41.3Very low100 Ų100126.7 Ų126.770%0.69981%0.81SS**  trans-87.1153.8-170.2-33.70000113.7
317Q33.3Very low40Very low186 Ų186131.4 Ų131.487%0.86981%0.814SS**  168.1131.8110.2-88.8-161-300116
318A31.8Very low38.5Very low80 Ų80129.6 Ų129.666%0.66182%0.816SS**  68.6119.1129.600000124.5
319S30.3Very low37.5Very low124 Ų124131.8 Ų131.887%0.86782%0.818SS**  87.3129.6129.6-610000122.4
320A34.6Very low36.5Very low92 Ų92133.9 Ų133.976%0.7682%0.822SS**  trans-88.7176.6170.400000112.3
321P44.2Very low35.8Very low134 Ų134133.4 Ų133.487%0.8782%0.819SS**  -145.8-175.184.837.2-17.8000116.2
322M32.2Very low35.3Very low184 Ų184128.5 Ų128.591%0.90681%0.812SS**  trans-96.6159.3-168.3-91.2-176.5158.800116.8
323A34.1Very low34.7Very low93 Ų93132.8 Ų132.877%0.76982%0.816SS**  trans72.2162.1142.400000119.4
324P44.1Very low34.1Very low130 Ų130133.9 Ų133.984%0.84481%0.812SS**  cis-123.2-176.85.441.1-25.3000115.9
325A38.1Very low34Very low97 Ų97131.6 Ų131.680%0.80281%0.805SS**  trans-99.7164.1-175.200000113.8
326D27.6Very low34.1Very low149 Ų149136.4 Ų136.480%0.79781%0.806SS**  trans-155.1162.2141.6-136.4-21.5000114.9
327Y29.7Very low33.9Very low220 Ų220141.6 Ų141.686%0.86381%0.811SS**  trans-40.1152.4-167.4-92.2-132.3000122.7
328G29.5Very low34.1Very low78 Ų78143.2 Ų143.280%0.80481%0.811SS**  trans173.195.5157.900000114.9
329M33Very low34.4Very low162 Ų162145.1 Ų145.180%0.79881%0.81SS**  trans-84.8140-174.8-71.1-98.668.700114.9
330L34.5Very low35Very low164 Ų164145.2 Ų145.286%0.85981%0.808SS**  trans-165.4160.2133.6-87.3-155.2000110.4
331P38Very low35.2Very low120 Ų120145.9 Ų145.978%0.77981%0.807SS**  trans-103.1176.3-150.539.7-38.5000117
332A32.4Very low35Very low91 Ų91143 Ų14375%0.75280%0.802SS**  trans97.167.7167.200000118.7
333Q30.9Very low36Very low187 Ų187140.3 Ų140.387%0.87480%0.798SS**  -96.9140.6124.9-53.4-88.5-73.600104.3
334I35.6Very low37Very low152 Ų152141.6 Ų141.678%0.77980%0.798SS**  -156.2151.473.6-22.8178.6000110.5
335I35.4Very low37.8Very low139 Ų139141 Ų14171%0.71380%0.795SS**  trans66.4100.6164.4-63.7143.6000114.2
336E30.7Very low39Very low183 Ų183142 Ų14286%0.85579%0.793SS**  cis66.172.436.2-159.3177.6-15100114.3
337Y31.2Very low40.3Very low208 Ų208140.4 Ų140.482%0.81679%0.791SS**  trans-149.1121.1150.2-110-89.9000111.4
338Y37.3Very low41.9Very low220 Ų220135.6 Ų135.686%0.86379%0.786SS**  trans79.5134.3165.6-90.9-112.6000122.8
339N39.3Very low43.4Very low120 Ų120137.3 Ų137.364%0.64278%0.784SS**  trans-117.4151-176.4168.923000109.1S341N339-S341 PolarHBondContact OD1-N 3.02Å
340P43Very low44.2Very low126 Ų126135.3 Ų135.382%0.81878%0.783SS**  trans-141.8112.5136.234.9-19.1000115
341S38.7Very low44.8Very low107 Ų107134.2 Ų134.275%0.74878%0.782SS**  trans-161.3138.8147.348.80000109.4N339N339-S341 PolarHBondContact OD1-N 3.02Å
342G40Very low45.2Very low74 Ų74135.6 Ų135.676%0.76378%0.782SS**  trans-127.4172.7-16400000115.8
343P53.8Low45.6Very low127 Ų127136.9 Ų136.983%0.82578%0.782SS**PPolyproline II helixtrans-87.5162.7176.935.2-34000113.5
344P53.3Low45.8Very low119 Ų119133.7 Ų133.777%0.77378%0.78SS**PPolyproline II helixtrans-77163.2-175.231.7-37000114.7
345P61.3Low46.1Very low118 Ų118130.6 Ų130.677%0.76678%0.778SS**PPolyproline II helixtrans-77.5154-176.931.7-36.6000114.4
346P64.6Low46.3Very low117 Ų117133 Ų13376%0.7679%0.786SS**PPolyproline II helixtrans-76.7159.5174.832.3-35.6000113.5
347P54.3Low46.6Very low117 Ų117131.3 Ų131.376%0.7679%0.788SS**PPolyproline II helixtrans-74.3159.5-177.730.9-36.5000114.1
348P62.6Low46.6Very low118 Ų118125.6 Ų125.677%0.76678%0.784SS**PPolyproline II helixtrans-73.9152.7-17930.7-36.1000113.6
349P61.8Low46.4Very low115 Ų115125.5 Ų125.575%0.74779%0.789SS**PPolyproline II helixtrans-70.5155.4174.530.4-35.2000112.6
350P50.3Low46Very low120 Ų120126.4 Ų126.478%0.77980%0.798SS**PPolyproline II helixtrans-73.4147.1-172.129.4-35.6000113.9
351V45.6Very low45.5Very low140 Ų140125.9 Ų125.985%0.84880%0.798SS**PPolyproline II helixtrans-76128.2174.8-171.60000109.9
352I46.6Very low45.8Very low150 Ų150126.4 Ų126.477%0.76980%0.798SS**PPolyproline II helixtrans-101.7132169.6-58.1179.6000108.3
353P40.7Very low45.5Very low117 Ų117131.7 Ų131.776%0.7681%0.808SS**PPolyproline II helixtrans-67.9153.9-171.3-2234.2000115.4
354S37Very low44.5Very low120 Ų120133.3 Ų133.384%0.83981%0.805SS**PPolyproline II helixtrans-64.1154.9176-54.20000114.3
355A40.6Very low43.6Very low87 Ų87135 Ų13572%0.71980%0.804SS**  trans-5.5118.2164.600000119
356Q40.1Very low42.5Very low189 Ų189135 Ų13588%0.88380%0.804SS**  trans179.4100.3138.2-101154.796.700111.2
357T37.7Very low41.1Very low149 Ų149137.9 Ų137.991%0.91481%0.81SS**  trans-179.789.2148.143.50000110.6
358A30.9Very low40.3Very low88 Ų88141.3 Ų141.373%0.72782%0.815SS**  trans-172.293.7154.500000109.4
359F32.2Very low39.5Very low218 Ų218140 Ų14096%0.95681%0.807SS**  trans157.197.7147.3-85.3-59.2000108.5
360V30.2Very low38.7Very low138 Ų138140 Ų14084%0.83681%0.807SS**  trans-112.4124169.8171.70000107.7
361S34Very low38.1Very low116 Ų116143.2 Ų143.281%0.81181%0.809SS**  trans-150.8137.5154-80.10000108.3
362P44.3Very low38.1Very low118 Ų118142.1 Ų142.177%0.76681%0.805SS**  trans-93.5141.8-163.235.3-34.3000113
363L33.3Very low37.6Very low184 Ų184140 Ų14096%0.96381%0.809SS**  trans-129.5145.5155.3-80.5170.4000108.9
364Q34.1Very low37.2Very low161 Ų161140.3 Ų140.375%0.75281%0.814SS**  trans-122.6158.2-156.4-174.2175.4-36.400111.3
365M32.7Very low37.3Very low156 Ų156139.4 Ų139.477%0.76881%0.814SS**  trans86.1151.9175.1-49.6-66.1-167.300116.5
366P38.9Very low37Very low118 Ų118138.7 Ų138.777%0.76682%0.815SS**  -134.2166-53.536.8-21.4000113.5
367M35.3Very low36.6Very low177 Ų177134.6 Ų134.687%0.87281%0.808SS**  trans-71.3153.2177.4-73.5-17968.700114.6
368Q36.9Very low36.5Very low188 Ų188133.2 Ų133.288%0.87980%0.799SS**  trans-138159.9153.3-80.3-137.7-28.500111.4
369P47.4Very low36.8Very low92 Ų92138.5 Ų138.560%0.59781%0.809SS**  trans-98.8166.3-14737.6-37.2000116.4F371P369-F371 HydrophobicContact CG-CE2 4.45Å
370P43.9Very low37Very low114 Ų114133.1 Ų133.174%0.7480%0.804SS**  trans-91.4148.6178.836.5-34.2000113.6
371F37Very low37.3Very low188 Ų188131 Ų13183%0.82580%0.801SS**  trans-142.7160.4170.4-82.2-63000110.7P369P369-F371 HydrophobicContact CG-CE2 4.45Å
372P45.4Very low38.1Very low116 Ų116130.4 Ų130.475%0.75380%0.795SS**  -108.2168.3-122.338.8-36.7000115.8
373A36.7Very low38.2Very low105 Ų105130.7 Ų130.787%0.86880%0.797SS**  trans-65.1147.3168.500000112.2
374S33.2Very low38.7Very low124 Ų124130.4 Ų130.487%0.86779%0.79SS**  trans-126.6147.1166.8-170.90000110.3
375A39Very low39.8Very low101 Ų101128.2 Ų128.284%0.83579%0.79SS**  trans-88.9163.7-176.700000112.9
376G32.7Very low40.4Very low72 Ų72127 Ų12774%0.74279%0.794SS**  trans153.675.6177.200000111.2
377S33.2Very low40.4Very low104 Ų104127.3 Ų127.373%0.72780%0.798SS**  72.79594.4-162.60000114.8
378T35.8Very low40.6Very low120 Ų120125.6 Ų125.674%0.73680%0.798SS**  trans20.1117.1141.6600000119.5
379H36.6Very low40.6Very low199 Ų199120.1 Ų120.192%0.92179%0.792SS**  trans-137.4131.3139.4-94.3-68.7000110.5
380A35.3Very low40.1Very low104 Ų104123.9 Ų123.986%0.8681%0.806SS**PPolyproline II helixtrans-85.7143.9177.200000111
381A37Very low40Very low93 Ų93126.9 Ų126.977%0.76982%0.815SS**PPolyproline II helixtrans-103.6147.1169.700000110.4
382P51Low40.1Very low105 Ų105124.5 Ų124.568%0.68282%0.816SS**PPolyproline II helixtrans-81.1157.8-170.332.8-36.4000113.7
383P46Very low40Very low124 Ų124125.2 Ų125.281%0.80582%0.818SS**PPolyproline II helixtrans-74.7145.817831.7-35.3000112.5
384H44.3Very low40.5Very low177 Ų177124.4 Ų124.482%0.81981%0.812SS**PPolyproline II helixtrans-83.6141.1177.6-35.8-68.6000111
385P58.2Low41.5Very low116 Ų116124.1 Ų124.175%0.75381%0.807SS**PPolyproline II helixtrans-77157.4178.531.9-35.3000112.8
386P43.5Very low42.6Very low131 Ų131124.8 Ų124.885%0.85180%0.802SS**PPolyproline II helixtrans-74.9141.3175.932.2-34.3000110.9
387S40.6Very low44.1Very low123 Ų123126.9 Ų126.986%0.8680%0.803SS**  trans-106.3131.4174.5-148.20000111.2
388T38Very low45.6Very low141 Ų141128 Ų12887%0.86581%0.808SS**  trans-69.1158.1-179.215.40000112.7
389G38Very low47.1Very low74 Ų74125.3 Ų125.376%0.76380%0.804SS**  trans-72.5155.3-165.700000116.3
390L37.5Very low48.6Very low170 Ų170121.7 Ų121.789%0.8980%0.798SS**  trans-127.2128.7155.5-75.6175.3000108.6V392L390-V392 PolarHBondContact O-N 3.05Å
391L41Very low50.3Low178 Ų178122.2 Ų122.293%0.93279%0.792SS**  trans-76.5111.3175.8-69166.3000109.2
392V40Very low51.8Low138 Ų138123.2 Ų123.284%0.83679%0.791SS**  trans-106.9102.3167.1-179.90000108.2L390 A394L390-V392 PolarHBondContact O-N 3.05Å; V392-A394 PolarHBondContact O-N 3.41Å
393T43.1Very low52.6Low131 Ų131123.8 Ų123.880%0.80480%0.795SS**  trans-75113.1174.650.50000109.8
394A45.6Very low53.5Low88 Ų88123.5 Ų123.573%0.72779%0.793SS**PPolyproline II helixtrans-65.7143.8169.400000110.7V392V392-A394 PolarHBondContact O-N 3.41Å
395P54.4Low54.5Low117 Ų117121.3 Ų121.376%0.7679%0.794SS**PPolyproline II helixtrans-68.7147.4175.129.5-34.4000111
396P62.8Low54.5Low115 Ų115118.8 Ų118.875%0.74779%0.789SS**PPolyproline II helixtrans-68.3151.5178.529.3-35.1000111.7
397P64.5Low55.1Low117 Ų117118.4 Ų118.476%0.7679%0.787SS**PPolyproline II helixtrans-65.6148.8175.728.5-34.9000111.4G399P397-G399 PolarHBondContact O-N 3.2Å
398P65.3Low55.7Low128 Ų128118.7 Ų118.783%0.83179%0.786SS**PPolyproline II helixtrans-63.2136.417526.8-33.7000110.8
399G66.3Low56.1Low62 Ų62115 Ų11564%0.63978%0.776SS**PPolyproline II helixtrans-68163.9179.200000113.6P397P397-G399 PolarHBondContact O-N 3.2Å
400P68.9Low56.3Low124 Ų124118.2 Ų118.281%0.80578%0.783SS**PPolyproline II helixtrans-63.6149.3177.727.9-35000111.7
401P69.5Low56.2Low114 Ų114113.7 Ų113.774%0.7478%0.777SS**PPolyproline II helixtrans-65.2151.5177.628.2-35000111.7
402P69.3Low55.8Low114 Ų114111.1 Ų111.174%0.7477%0.774SS**PPolyproline II helixtrans-65.5150178.528.1-35000111.8
403P66.9Low55.6Low118 Ų118110 Ų11077%0.76677%0.772SS**PPolyproline II helixtrans-66.1149.717728.6-34.9000111.5
404P66.4Low55.2Low117 Ų117112 Ų11276%0.7678%0.778SS**PPolyproline II helixtrans-65.9151.2176.928.4-34.9000111.5G406P404-G406 PolarHBondContact O-N 3.35Å
405P63.9Low54.5Low131 Ų131113 Ų11385%0.85178%0.78SS**PPolyproline II helixtrans-58.4132.8174.9-22.833.5000111.8
406G59.1Low53.4Low63 Ų63112.9 Ų112.965%0.64978%0.781SS**PPolyproline II helixtrans-67.9156.6173.900000112.4P404P404-G406 PolarHBondContact O-N 3.35Å
407P56.9Low52.1Low124 Ų124112.9 Ų112.981%0.80578%0.784SS**PPolyproline II helixtrans-66145.6177.328.8-34.8000111.2G409P407-G409 PolarHBondContact O-N 2.59Å
408P51.7Low51.3Low129 Ų129112.5 Ų112.584%0.83878%0.781SS**PPolyproline II helixtrans-67.5130.917927.5-33.7000111.3
409G47.3Very low49.8Very low63 Ų63113 Ų11365%0.64978%0.775SS**PPolyproline II helixtrans-72.5159.5171.700000112.6P407 G411P407-G409 PolarHBondContact O-N 2.59Å; G409-G411 PolarHBondContact O-N 2.73Å; G409-G411 VanDerWaalsContact O-N 3.15Å
410P41.3Very low48.3Very low142 Ų142118.4 Ų118.492%0.92278%0.782SS**  trans-74.4105.3-177.629.8-33.7000111.5
411G36.8Very low46.4Very low74 Ų74115.6 Ų115.676%0.76378%0.777SS**  trans-93.7128.617000000111.8G409G409-G411 PolarHBondContact O-N 2.73Å; G409-G411 VanDerWaalsContact O-N 3.15Å
412S32.8Very low45.2Very low124 Ų124116.1 Ų116.187%0.86778%0.78SS**  trans-73.3143.5-176.3-62.30000114.3
413S34.3Very low44.3Very low114 Ų114116.1 Ų116.180%0.79778%0.78SS**  trans-40.3139.6177.4-37.40000118
414L34.4Very low42.6Very low174 Ų174116.9 Ų116.991%0.91178%0.782SS**  trans-145.5117.7143.6-78.6-174.3000112.9
415S32.4Very low41.1Very low110 Ų110115.4 Ų115.477%0.76978%0.779SS**  trans23.4123.5147-157.80000122.4
416S30.8Very low39.5Very low113 Ų113118.6 Ų118.679%0.7978%0.783SS**  160.7144.899.446.70000114.1
417S34.5Very low38.3Very low116 Ų116120.1 Ų120.181%0.81179%0.79SS**  trans-98-164.4175.7-330000110
418P49.3Very low37.1Very low108 Ų108124.3 Ų124.370%0.70180%0.795SS**  cis-147.2-178.821.137.8-13.5000118
419M32.9Very low36.2Very low140 Ų140129.3 Ų129.369%0.6980%0.797SS**  157.7129.4125.7-79.4-103.38900115.1
420H34Very low35.4Very low174 Ų174135.5 Ų135.581%0.80681%0.81SS**  trans67.7138.9147.9-66.2-22.5000121.1
421G30.8Very low35.1Very low66 Ų66136.4 Ų136.468%0.6880%0.801SS**  cis-169.2173.4-200000113
422P44.1Very low35.2Very low125 Ų125138.9 Ų138.981%0.81280%0.804SS**  trans-99.8-163.6-167.443.5-38.2000112.6
423P49.7Very low35.2Very low114 Ų114136.8 Ų136.874%0.7479%0.794SS**  cis-132.3-174.95.839.9-17000114.6
424V31.2Very low35.3Very low133 Ų133140.1 Ų140.181%0.80680%0.797SS**  -164.9150.579.1164.90000111.2
425A34.4Very low35.6Very low86 Ų86137 Ų13771%0.71179%0.787SS**  trans-55.5178.1175.300000116.1
426E30.7Very low36.2Very low198 Ų198137.9 Ų137.993%0.92579%0.791SS**  cis-140.9178.422.5-74.9-170.3112.600114.1
427A34.7Very low37Very low96 Ų96139.1 Ų139.179%0.79379%0.793SS**  trans-104.4153.1-172.400000114.8
428K30.9Very low37.9Very low212 Ų212138 Ų13892%0.92279%0.786SS**  trans-158.9139.3135.4-121.6172.2-177.6176.10114.5
429R33.6Very low38.9Very low233 Ų233137.5 Ų137.588%0.87978%0.777SS**  trans-56.4145.1171-79.2173.5158.8-168.8-4.3112.3
430Q30.6Very low40.7Very low194 Ų194134.6 Ų134.691%0.90778%0.775SS**  177.7133.6104.5-97.7168.4-48.600111.7
431E33.6Very low42.1Very low160 Ų160134.8 Ų134.875%0.74877%0.768SS**  trans-93.5156.1158.8-135.9-155.5104.100107.9A433E431-A433 PolarHBondContact OE1-N 2.73Å; E431-A433 VanDerWaalsContact OE1-N 3.08Å
432P38.6Very low44.2Very low126 Ų126134.6 Ų134.682%0.81876%0.757SS**  -138.4158.870.332.9-14.2000116.7
433A34.1Very low45.6Very low80 Ų80133.5 Ų133.566%0.66174%0.744SS**  trans-45.4141.8-178.900000119.5E431E431-A433 PolarHBondContact OE1-N 2.73Å; E431-A433 VanDerWaalsContact OE1-N 3.08Å
434Q35.3Very low46.7Very low185 Ų185133.2 Ų133.286%0.86474%0.736SS**  trans-141.8156.5144.4-86.8-126.9-10.500108.6
435P40.9Very low48.8Very low107 Ų107130.6 Ų130.670%0.69572%0.717SS**  trans-72.6151.4-151.827.1-35.7000114.7V437P435-V437 PolarHBondContact O-N 2.96Å
436P46.2Very low50.7Low130 Ų130128.3 Ų128.384%0.84470%0.698SS**  trans-70.2115.3-17728.5-34000111.2S438P436-S438 PolarHBondContact O-N 2.86Å
437V46Very low52.7Low138 Ų138121.7 Ų121.784%0.83668%0.677SS**  trans-58.4121.1158.6-79.30000108.8P435 D439P435-V437 PolarHBondContact O-N 2.96Å; V437-D439 VanDerWaalsContact C-N 3.34Å; V437-D439 PolarHBondContact O-N 2.93Å
438S55.1Low54.4Low94 Ų94122.5 Ų122.566%0.65767%0.667SS**  trans-68.993.5173.4530000108.9P436 A440P436-S438 PolarHBondContact O-N 2.86Å; S438-A440 PolarHBondContact O-N 3.43Å
439D69.3Low56.4Low97 Ų97121 Ų12152%0.51966%0.655SS.*  trans-53.7126.2174.8178.91.8000109.2V437 R441 S442 D443V437-D439 VanDerWaalsContact C-N 3.34Å; V437-D439 PolarHBondContact O-N 2.93Å; D439-R441 PolarHBondContact O-N 3.35Å; D439-R441 WeakPolarHBondContact OD1-CB 3.46Å; D439-R441 PolarHBondContact OD1-N 2.81Å; D439-S442 WeakPolarHBondContact O-CA 3.43Å; D439-S442 WeakPolarHBondContact O-CB 3.42Å; D439-S442 PolarHBondContact O-N 3.31Å; D439-D443 PolarHBondContact O-N 2.89Å
440A70.6Confident58Low78 Ų78117.3 Ų117.365%0.64565%0.65SS**Hα-helixtrans-56.3-24.5-179.800000112.2S438 L444S438-A440 PolarHBondContact O-N 3.43Å; A440-L444 WeakPolarHBondContact O-CB 3.22Å; A440-L444 PolarHBondContact O-N 3.17Å
441R64.8Low59.3Low178 Ų178110 Ų11067%0.67263%0.628SS**Hα-helixtrans-68.7-34.3171.7-168.6179.3-177.6-175.41.3113.1D439 L445D439-R441 PolarHBondContact O-N 3.35Å; D439-R441 WeakPolarHBondContact OD1-CB 3.46Å; D439-R441 PolarHBondContact OD1-N 2.81Å; R441-L445 HydrophobicContact CG-CD1 4.36Å; R441-L445 WeakPolarHBondContact O-CB 3.12Å; R441-L445 VanDerWaalsContact O-CG 3.24Å; R441-L445 WeakPolarHBondContact O-CG 3.48Å; R441-L445 PolarHBondContact O-N 3.29Å
442S74.1Confident60.6Low63 Ų63109.8 Ų109.844%0.44163%0.63SS.*Hα-helixtrans-67.9-44.7174.4-169.20000111.1D439 L445 A446D439-S442 WeakPolarHBondContact O-CA 3.43Å; D439-S442 WeakPolarHBondContact O-CB 3.42Å; D439-S442 PolarHBondContact O-N 3.31Å; S442-L445 CarbonylContact O-C 3.57Å; S442-L445 PolarHBondContact O-N 3.25Å; S442-A446 WeakPolarHBondContact O-CB 3.31Å; S442-A446 PolarHBondContact O-N 2.75Å
443D72.3Confident61.5Low101 Ų101112.7 Ų112.754%0.5463%0.632SS.*Hα-helixtrans-63-42174.3-94.82.5000111.8D439 L445 A446 A447D439-D443 PolarHBondContact O-N 2.89Å; D443-L445 PolarHBondContact O-N 2.99Å; D443-A446 WeakPolarHBondContact O-CB 3.37Å; D443-A446 PolarHBondContact O-N 3.37Å; D443-A447 WeakPolarHBondContact O-CB 3.36Å; D443-A447 PolarHBondContact O-N 3.47Å
444L73.9Confident62.2Low108 Ų108116 Ų11657%0.56564%0.638SS**Hα-helixtrans-60.5-44.5173.5-178.562.8000111.6A440 A446 A447 I448A440-L444 WeakPolarHBondContact O-CB 3.22Å; A440-L444 PolarHBondContact O-N 3.17Å; L444-A446 VanDerWaalsContact C-N 3.33Å; L444-A446 PolarHBondContact O-N 3.04Å; L444-A447 PolarHBondContact O-N 3.3Å; L444-I448 HydrophobicContact CD1-CD1 4.23Å; L444-I448 HydrophobicContact CG-CD1 3.96Å; L444-I448 WeakPolarHBondContact O-CB 3.35Å; L444-I448 WeakPolarHBondContact O-CD1 3.4Å; L444-I448 VanDerWaalsContact O-CG1 3.23Å; L444-I448 WeakPolarHBondContact O-CG1 3.35Å; L444-I448 PolarHBondContact O-N 2.72Å
445L75.9Confident63.2Low78 Ų78115.7 Ų115.741%0.40863%0.634SS.*Hα-helixtrans-69.3-29.4176.4-71169.1000112.4R441 S442 D443 R449R441-L445 HydrophobicContact CG-CD1 4.36Å; R441-L445 WeakPolarHBondContact O-CB 3.12Å; R441-L445 VanDerWaalsContact O-CG 3.24Å; R441-L445 WeakPolarHBondContact O-CG 3.48Å; R441-L445 PolarHBondContact O-N 3.29Å; S442-L445 CarbonylContact O-C 3.57Å; S442-L445 PolarHBondContact O-N 3.25Å; D443-L445 PolarHBondContact O-N 2.99Å; L445-R449 WeakPolarHBondContact O-CB 3.46Å; L445-R449 VanDerWaalsContact O-CG 3.29Å; L445-R449 WeakPolarHBondContact O-CG 3.49Å; L445-R449 PolarHBondContact O-N 3.17Å; L445-R449 PolarHBondContact O-NE 2.81Å
446A74.6Confident64Low38 Ų38119.3 Ų119.331%0.31464%0.639SS.*Hα-helixtrans-69.1-44.6170.900000111.3S442 D443 L444 I448 R449 M450S442-A446 WeakPolarHBondContact O-CB 3.31Å; S442-A446 PolarHBondContact O-N 2.75Å; D443-A446 WeakPolarHBondContact O-CB 3.37Å; D443-A446 PolarHBondContact O-N 3.37Å; L444-A446 VanDerWaalsContact C-N 3.33Å; L444-A446 PolarHBondContact O-N 3.04Å; A446-I448 PolarHBondContact O-N 3.18Å; A446-R449 CarbonylContact O-C 3.57Å; A446-R449 PolarHBondContact O-N 2.78Å; A446-M450 WeakPolarHBondContact O-CB 3.29Å; A446-M450 WeakPolarHBondContact O-CG 3.35Å; A446-M450 PolarHBondContact O-N 2.85Å
447A72.1Confident64.1Low60 Ų60118 Ų11850%0.49663%0.628SS.*Hα-helixtrans-62.8-40.917500000112.3D443 L444 M450 G451D443-A447 WeakPolarHBondContact O-CB 3.36Å; D443-A447 PolarHBondContact O-N 3.47Å; L444-A447 PolarHBondContact O-N 3.3Å; A447-M450 PolarHBondContact O-N 2.91Å; A447-G451 PolarHBondContact O-N 3.18Å
448I71Confident64.4Low112 Ų112118 Ų11857%0.57462%0.619SS**Hα-helixtrans-62.8-41.1173-69.8164.5000110.9L444 A446 G451L444-I448 HydrophobicContact CD1-CD1 4.23Å; L444-I448 HydrophobicContact CG-CD1 3.96Å; L444-I448 WeakPolarHBondContact O-CB 3.35Å; L444-I448 WeakPolarHBondContact O-CD1 3.4Å; L444-I448 VanDerWaalsContact O-CG1 3.23Å; L444-I448 WeakPolarHBondContact O-CG1 3.35Å; L444-I448 PolarHBondContact O-N 2.72Å; A446-I448 PolarHBondContact O-N 3.18Å; I448-G451 PolarHBondContact O-N 3.06Å
449R72.6Confident64.3Low180 Ų180119 Ų11968%0.67961%0.613SS**Hα-helixtrans-69.6-30.4175.7-78.4176.6-72.4-137.83.1113.6L445 A446L445-R449 WeakPolarHBondContact O-CB 3.46Å; L445-R449 VanDerWaalsContact O-CG 3.29Å; L445-R449 WeakPolarHBondContact O-CG 3.49Å; L445-R449 PolarHBondContact O-N 3.17Å; L445-R449 PolarHBondContact O-NE 2.81Å; A446-R449 CarbonylContact O-C 3.57Å; A446-R449 PolarHBondContact O-N 2.78Å
450M66.4Low63Low156 Ų156120.8 Ų120.877%0.76862%0.618SS**Hα-helixtrans-77.3-26.2175.6-68.7-96.172.300112.7A446 A447A446-M450 WeakPolarHBondContact O-CB 3.29Å; A446-M450 WeakPolarHBondContact O-CG 3.35Å; A446-M450 PolarHBondContact O-N 2.85Å; A447-M450 PolarHBondContact O-N 2.91Å
451G58.1Low62.3Low42 Ų42126 Ų12643%0.43362%0.621SS.*  trans76.8157.8-177.900000113.5A447 I448 Q453A447-G451 PolarHBondContact O-N 3.18Å; I448-G451 PolarHBondContact O-N 3.06Å; G451-Q453 PolarHBondContact O-N 3.29Å; G451-Q453 VanDerWaalsContact O-N 3.08Å
452I60.1Low62Low155 Ų155122.5 Ų122.580%0.79561%0.613SS**  trans-73.4102.8177.8-58.8173.6000108.8L454I452-L454 VanDerWaalsContact C-N 3.35Å; I452-L454 HydrophobicContact CG2-CD2 4.05Å; I452-L454 HydrophobicContact CG2-CG 4.39Å; I452-L454 PolarHBondContact O-N 2.69Å
453Q57.3Low60.7Low186 Ų186125.5 Ų125.587%0.86962%0.62SS**  trans-71.593.6165.1-69.8-158.825.500109.6G451 K455G451-Q453 PolarHBondContact O-N 3.29Å; G451-Q453 VanDerWaalsContact O-N 3.08Å; Q453-K455 PolarHBondContact O-N 3.42Å
454L49Very low59.8Low150 Ų150127.2 Ų127.279%0.78562%0.624SS**PPolyproline II helixtrans-57.6119.1168.5-66.8173.4000109I452 K456I452-L454 VanDerWaalsContact C-N 3.35Å; I452-L454 HydrophobicContact CG2-CD2 4.05Å; I452-L454 HydrophobicContact CG2-CG 4.39Å; I452-L454 PolarHBondContact O-N 2.69Å; L454-K456 PolarHBondContact O-N 2.87Å
455K57.3Low58.9Low179 Ų179124.8 Ų124.878%0.77862%0.62SS**PPolyproline II helixtrans-55.7123.8174-155.5-179.1-174.2-169.10108Q453 V457Q453-K455 PolarHBondContact O-N 3.42Å; K455-V457 PolarHBondContact O-N 2.97Å
456K57.4Low57.8Low182 Ų182129.4 Ų129.479%0.79164%0.637SS**PPolyproline II helixtrans-53.5118.4-176.7-89.1-178.5175174.90110.4L454 Q458L454-K456 PolarHBondContact O-N 2.87Å; K456-Q458 HydrophobicContact CB-CB 4.35Å; K456-Q458 PolarHBondContact O-N 3.38Å
457V49.2Very low56.6Low102 Ų102138.4 Ų138.462%0.61866%0.663SS**THydrogen-bonded Turntrans-63.60.7178-176.60000113K455 E459 Q460 R461K455-V457 PolarHBondContact O-N 2.97Å; V457-E459 VanDerWaalsContact C-N 3.29Å; V457-E459 PolarHBondContact O-N 3.04Å; V457-Q460 HydrophobicContact CG1-CB 4.47Å; V457-Q460 PolarHBondContact O-N 2.89Å; V457-R461 PolarHBondContact O-N 3.11Å
458Q52.2Low55.2Low138 Ų138142 Ų14265%0.64567%0.669SS**Hα-helixtrans-51.5-44174.4-160.6758.100112.7K456 E462K456-Q458 HydrophobicContact CB-CB 4.35Å; K456-Q458 PolarHBondContact O-N 3.38Å; Q458-E462 WeakPolarHBondContact O-CB 3.11Å; Q458-E462 PolarHBondContact O-N 2.89Å
459E51.7Low54.2Low115 Ų115141.8 Ų141.854%0.53768%0.675SS.*Hα-helixtrans-71.3-36.6-176.2-171.5174.1-161.500112.4V457 E462 Q463V457-E459 VanDerWaalsContact C-N 3.29Å; V457-E459 PolarHBondContact O-N 3.04Å; E459-E462 PolarHBondContact O-N 3.49Å; E459-Q463 WeakPolarHBondContact O-CG 3.34Å; E459-Q463 PolarHBondContact O-N 3.43Å; E459-Q463 VanDerWaalsContact O-N 3.13Å
460Q42.8Very low53.5Low135 Ų135138.3 Ų138.363%0.63167%0.674SS**Hα-helixtrans-70.9-43.4176.8-165.6169.915.800110.9V457 E462 Q463 E464V457-Q460 HydrophobicContact CG1-CB 4.47Å; V457-Q460 PolarHBondContact O-N 2.89Å; Q460-E462 VanDerWaalsContact C-N 3.25Å; Q460-E462 PolarHBondContact O-N 3.21Å; Q460-Q463 PolarHBondContact O-N 3.41Å; Q460-E464 WeakPolarHBondContact O-CB 3.45Å; Q460-E464 PolarHBondContact O-N 3.03Å
461R55.4Low52.9Low187 Ų187132.3 Ų132.371%0.70665%0.652SS**Hα-helixtrans-62.3-31.5174.2-165.4178.2-174.8-162.50.9112.5V457 A465V457-R461 PolarHBondContact O-N 3.11Å; R461-A465 WeakPolarHBondContact O-CB 3.42Å; R461-A465 PolarHBondContact O-N 3.07Å
462E58.3Low53.3Low106 Ų106134.3 Ų134.350%0.49565%0.653SS.*Hα-helixtrans-75.4-30.9176-170.6171-168.900113.3Q458 E459 Q460Q458-E462 WeakPolarHBondContact O-CB 3.11Å; Q458-E462 PolarHBondContact O-N 2.89Å; E459-E462 PolarHBondContact O-N 3.49Å; Q460-E462 VanDerWaalsContact C-N 3.25Å; Q460-E462 PolarHBondContact O-N 3.21Å
463Q47.8Very low54Low126 Ų126130.8 Ų130.859%0.58964%0.636SS**Hα-helixtrans-74.5-36.2171.2-69.1-175.22900112.1E459 Q460 K466E459-Q463 WeakPolarHBondContact O-CG 3.34Å; E459-Q463 PolarHBondContact O-N 3.43Å; E459-Q463 VanDerWaalsContact O-N 3.13Å; Q460-Q463 PolarHBondContact O-N 3.41Å; Q463-K466 PolarHBondContact O-N 3.21Å
464E53.3Low54.8Low136 Ų136124.6 Ų124.664%0.63661%0.61SS**Hα-helixtrans-69.1-40.7176.3-155161.1-136.300111.4Q460 K466 R467 E468Q460-E464 WeakPolarHBondContact O-CB 3.45Å; Q460-E464 PolarHBondContact O-N 3.03Å; E464-K466 PolarHBondContact O-N 3.17Å; E464-K466 VanDerWaalsContact O-N 3.1Å; E464-R467 CarbonylContact O-C 3.56Å; E464-R467 WeakPolarHBondContact O-CA 3.47Å; E464-R467 PolarHBondContact O-N 2.98Å; E464-E468 PolarHBondContact O-N 3.08Å
465A54.1Low56Low57 Ų57118.2 Ų118.247%0.47158%0.579SS.*THydrogen-bonded Turntrans-65.1-9.1172.200000114.9R461R461-A465 WeakPolarHBondContact O-CB 3.42Å; R461-A465 PolarHBondContact O-N 3.07Å
466K52.3Low57.1Low175 Ų175111.9 Ų111.976%0.76156%0.555SS**THydrogen-bonded Turntrans-92.2-13.7167.9-79.7178.8178170.40113.5Q463 E464Q463-K466 PolarHBondContact O-N 3.21Å; E464-K466 PolarHBondContact O-N 3.17Å; E464-K466 VanDerWaalsContact O-N 3.1Å
467R49.9Very low58.1Low227 Ų227107.3 Ų107.386%0.85754%0.539SS*.THydrogen-bonded Turntrans-109.4-9.3-179.4-83.4-170.3164-149.8-3.4113.8E464E464-R467 CarbonylContact O-C 3.56Å; E464-R467 WeakPolarHBondContact O-CA 3.47Å; E464-R467 PolarHBondContact O-N 2.98Å
468E42.7Very low59.4Low136 Ų136104.4 Ų104.464%0.63652%0.519SS*.  trans-58.4131.2178-157.7177.6-156.600110.5E464E464-E468 PolarHBondContact O-N 3.08Å
469P50.7Low60.6Low108 Ų108100.4 Ų100.470%0.70151%0.507SS*.  trans-55.1159.4169.5-23.133.9000110.8G471P469-G471 PolarHBondContact O-N 3.36Å
470V58Low61.8Low107 Ų107102 Ų10265%0.64851%0.508SS*.  trans-64.586.5177.6-1790000109.9
471G53.8Low63.5Low30 Ų30103.8 Ų103.831%0.30951%0.509SS..  trans-79.5133.2177.600000110.6P469 D473 T476P469-G471 PolarHBondContact O-N 3.36Å; G471-D473 PolarHBondContact O-N 3.49Å; G471-T476 WeakPolarHBondContact O-CG2 3.45Å
472N65.6Low64.3Low84 Ų8496.2 Ų96.245%0.44948%0.482SS..  trans-76.635171.5-69.7-2.8000111.9Q107Q107-N472 VanDerWaalsContact CD-ND2 3.27Å; Q107-N472 PolarHBondContact NE2-ND2 3.37Å; Q107-N472 VanDerWaalsContact NE2-ND2 3.14Å; Q107-N472 VanDerWaalsContact OE1-CB 3.28Å; Q107-N472 PolarHBondContact OE1-ND2 2.76Å
473D75.2Confident64.8Low81 Ų8194.2 Ų94.243%0.43348%0.484SS..  trans-72143.5170.7175.853.1000110.1G471 A475 T476 I477G471-D473 PolarHBondContact O-N 3.49Å; D473-A475 VanDerWaalsContact C-N 3.3Å; D473-A475 PolarHBondContact O-N 3.42Å; D473-A475 WeakPolarHBondContact OD2-CB 3.38Å; D473-A475 PolarHBondContact OD2-N 2.84Å; D473-T476 WeakPolarHBondContact O-CB 3.39Å; D473-T476 PolarHBondContact O-N 2.97Å; D473-T476 VanDerWaalsContact O-N 3.12Å; D473-I477 WeakPolarHBondContact O-CG1 3.49Å; D473-I477 PolarHBondContact O-N 3.41Å
474V73.8Confident66Low55 Ų5593 Ų9333%0.33349%0.485SS..Hα-helixtrans-66.2-31.9-175.6167.90000111.5W161 I477 L478W161-V474 HydrophobicContact CH2-CB 3.82Å; W161-V474 HydrophobicContact CH2-CG1 3.74Å; W161-V474 HydrophobicContact CZ3-CB 4.45Å; W161-V474 HydrophobicContact CZ3-CG1 4.01Å; V474-I477 PolarHBondContact O-N 3.5Å; V474-L478 HydrophobicContact CG1-CD1 4.11Å; V474-L478 HydrophobicContact CG1-CG 4.46Å; V474-L478 WeakPolarHBondContact O-CB 3.49Å; V474-L478 VanDerWaalsContact O-CG 3.24Å; V474-L478 WeakPolarHBondContact O-CG 3.37Å; V474-L478 PolarHBondContact O-N 3.3Å
475A75.8Confident66.2Low17 Ų1792 Ų9214%0.1448%0.48CS..Hα-helixtrans-69.7-36.3173.700000111.8M165 D473 S479M165-A475 HydrophobicContact CB-CB 4.38Å; M165-A475 HydrophobicContact CG-CB 4.21Å; M165-A475 HydrophobicContact SD-CB 4Å; D473-A475 VanDerWaalsContact C-N 3.3Å; D473-A475 PolarHBondContact O-N 3.42Å; D473-A475 WeakPolarHBondContact OD2-CB 3.38Å; D473-A475 PolarHBondContact OD2-N 2.84Å; A475-S479 VanDerWaalsContact O-CB 3.27Å; A475-S479 WeakPolarHBondContact O-CB 3.19Å; A475-S479 PolarHBondContact O-N 3.35Å; A475-S479 PolarHBondContact O-OG 3.05Å
476T78.5Confident66.2Low45 Ų4595.3 Ų95.328%0.27648%0.481SS..Hα-helixtrans-67.1-39.5173.4-62.50000112G471 D473 R480G471-T476 WeakPolarHBondContact O-CG2 3.45Å; D473-T476 WeakPolarHBondContact O-CB 3.39Å; D473-T476 PolarHBondContact O-N 2.97Å; D473-T476 VanDerWaalsContact O-N 3.12Å; T476-R480 WeakPolarHBondContact O-CB 3.23Å; T476-R480 PolarHBondContact O-N 3.18Å
477I78.6Confident66.2Low87 Ų8791.9 Ų91.945%0.44648%0.479SS..Hα-helixtrans-65.7-45.9175.5-66.8164.8000111D473 V474 R480 R481D473-I477 WeakPolarHBondContact O-CG1 3.49Å; D473-I477 PolarHBondContact O-N 3.41Å; V474-I477 PolarHBondContact O-N 3.5Å; I477-R480 PolarHBondContact O-N 2.87Å; I477-R481 WeakPolarHBondContact O-CB 3.24Å; I477-R481 PolarHBondContact O-N 3.2Å
478L78.1Confident65.9Low40 Ų4088.8 Ų88.821%0.20948%0.48CS..Hα-helixtrans-61.1-46.9175.5-72.1169.6000111.3L166 V474 R480 R481 I482L166-L478 HydrophobicContact CD1-CD1 4.27Å; L166-L478 HydrophobicContact CD1-CD2 4.05Å; V474-L478 HydrophobicContact CG1-CD1 4.11Å; V474-L478 HydrophobicContact CG1-CG 4.46Å; V474-L478 WeakPolarHBondContact O-CB 3.49Å; V474-L478 VanDerWaalsContact O-CG 3.24Å; V474-L478 WeakPolarHBondContact O-CG 3.37Å; V474-L478 PolarHBondContact O-N 3.3Å; L478-R480 VanDerWaalsContact C-N 3.33Å; L478-R480 PolarHBondContact O-N 2.93Å; L478-R481 PolarHBondContact O-N 2.78Å; L478-I482 WeakPolarHBondContact O-CG1 3.4Å; L478-I482 PolarHBondContact O-N 2.94Å; L478-I482 VanDerWaalsContact O-N 3.16Å
479S75.4Confident65.9Low54 Ų5486.7 Ų86.738%0.37848%0.48SS..Hα-helixtrans-57.3-44.1175.6-64.90000112.2A475 A483A475-S479 VanDerWaalsContact O-CB 3.27Å; A475-S479 WeakPolarHBondContact O-CB 3.19Å; A475-S479 PolarHBondContact O-N 3.35Å; A475-S479 PolarHBondContact O-OG 3.05Å; S479-A483 VanDerWaalsContact O-CB 3.27Å; S479-A483 WeakPolarHBondContact O-CB 3.21Å; S479-A483 PolarHBondContact O-N 2.77Å; S479-A483 VanDerWaalsContact O-N 3.14Å
480R78.1Confident65.6Low148 Ų14887.5 Ų87.556%0.55848%0.479SS*.Hα-helixtrans-68-46.2178.4179.5-179.6-77.1-146-1.4111.9T476 I477 L478 I482 A483 V484T476-R480 WeakPolarHBondContact O-CB 3.23Å; T476-R480 PolarHBondContact O-N 3.18Å; I477-R480 PolarHBondContact O-N 2.87Å; L478-R480 VanDerWaalsContact C-N 3.33Å; L478-R480 PolarHBondContact O-N 2.93Å; R480-I482 PolarHBondContact O-N 3.26Å; R480-A483 PolarHBondContact O-N 3.49Å; R480-V484 WeakPolarHBondContact O-CG2 3.29Å; R480-V484 PolarHBondContact O-N 2.8Å; R480-V484 VanDerWaalsContact O-N 3.09Å
481R78.3Confident64.9Low174 Ų17489.8 Ų89.866%0.65749%0.487SS*.Hα-helixtrans-59.4-48.9-176.9-176.8172.5178.2157.61.8111.2I477 L478 A483 V484 E485I477-R481 WeakPolarHBondContact O-CB 3.24Å; I477-R481 PolarHBondContact O-N 3.2Å; L478-R481 PolarHBondContact O-N 2.78Å; R481-A483 VanDerWaalsContact C-N 3.31Å; R481-A483 PolarHBondContact O-N 3.46Å; R481-V484 PolarHBondContact O-N 3.25Å; R481-E485 WeakPolarHBondContact O-CB 3.42Å; R481-E485 PolarHBondContact O-N 2.99Å
482I71.4Confident64.8Low27 Ų2796.6 Ų96.614%0.13852%0.517CS..Hα-helixtrans-69.5-31.1179.3-53.8165.5000111.2L166 T169 L478 R480 V484 Y486L166-I482 HydrophobicContact CD1-CD1 3.97Å; T169-I482 HydrophobicContact CG2-CD1 4.2Å; L478-I482 WeakPolarHBondContact O-CG1 3.4Å; L478-I482 PolarHBondContact O-N 2.94Å; L478-I482 VanDerWaalsContact O-N 3.16Å; R480-I482 PolarHBondContact O-N 3.26Å; I482-V484 VanDerWaalsContact C-N 3.28Å; I482-V484 PolarHBondContact O-N 3.02Å; I482-Y486 HydrophobicContact CG2-CD2 3.71Å; I482-Y486 HydrophobicContact CG2-CE2 3.78Å; I482-Y486 WeakPolarHBondContact O-CD2 3.46Å; I482-Y486 PolarHBondContact O-N 3.26Å
483A69.3Low63.8Low65 Ų6598 Ų9854%0.53753%0.533SS..Hα-helixtrans-66.3-28.8173.900000113.4S479 R480 R481 S487S479-A483 VanDerWaalsContact O-CB 3.27Å; S479-A483 WeakPolarHBondContact O-CB 3.21Å; S479-A483 PolarHBondContact O-N 2.77Å; S479-A483 VanDerWaalsContact O-N 3.14Å; R480-A483 PolarHBondContact O-N 3.49Å; R481-A483 VanDerWaalsContact C-N 3.31Å; R481-A483 PolarHBondContact O-N 3.46Å; A483-S487 WeakPolarHBondContact O-CB 3.38Å
484V72.3Confident62.3Low100 Ų100103.6 Ų103.661%0.60656%0.556SS**Hα-helixtrans-80.9-46.8176.1173.30000111R480 R481 I482 Y486 S487R480-V484 WeakPolarHBondContact O-CG2 3.29Å; R480-V484 PolarHBondContact O-N 2.8Å; R480-V484 VanDerWaalsContact O-N 3.09Å; R481-V484 PolarHBondContact O-N 3.25Å; I482-V484 VanDerWaalsContact C-N 3.28Å; I482-V484 PolarHBondContact O-N 3.02Å; V484-Y486 PolarHBondContact O-N 3.05Å; V484-Y486 VanDerWaalsContact O-N 3.12Å; V484-S487 PolarHBondContact O-N 3.45Å
485E58.5Low60.5Low116 Ų116110.9 Ų110.954%0.54258%0.584SS.*Hα-helixtrans-62.5-21.1-173.7-165162-154.500114.2R481R481-E485 WeakPolarHBondContact O-CB 3.42Å; R481-E485 PolarHBondContact O-N 2.99Å
486Y53.6Low59Low125 Ų125116.1 Ų116.149%0.4961%0.61SS.*THydrogen-bonded Turntrans-111.710.1175.1-67.3-88.5000113.9I482 V484I482-Y486 HydrophobicContact CG2-CD2 3.71Å; I482-Y486 HydrophobicContact CG2-CE2 3.78Å; I482-Y486 WeakPolarHBondContact O-CD2 3.46Å; I482-Y486 PolarHBondContact O-N 3.26Å; V484-Y486 PolarHBondContact O-N 3.05Å; V484-Y486 VanDerWaalsContact O-N 3.12Å
487S52.6Low57.3Low103 Ų103123.6 Ų123.672%0.7264%0.642SS**SBendtrans-93.5-3.8174.8-150.60000113.2A483 V484A483-S487 WeakPolarHBondContact O-CB 3.38Å; V484-S487 PolarHBondContact O-N 3.45Å
488D44Very low55.7Low162 Ų162124.9 Ų124.987%0.86665%0.649SS**SBendtrans-119.613.3-171.8-147.232.4000111.9
489S41.5Very low54.2Low92 Ų92128.5 Ų128.564%0.64367%0.669SS**SBendtrans-135.914.5-167.7-178.10000114.1
490D45.5Very low53Low125 Ų125137.8 Ų137.867%0.66870%0.696SS**SBendtrans-132.125.2-171.6-102.1-32000112R177R177-D490 IonicContact NH2-OD2 3.24Å
491D43.9Very low51.2Low156 Ų156135.7 Ų135.783%0.83470%0.704SS**SBendtrans-14738.6-178.7-153.933.2000115.1
492D50.4Low49.4Very low173 Ų173138.7 Ų138.793%0.92573%0.733SS**  trans-149.472.4172.2-102.8-35.9000111.8
493S45.6Very low48.3Very low113 Ų113144.3 Ų144.379%0.7976%0.763SS**SBendtrans-160.2121.9161.263.10000113.4
494E42.3Very low47.2Very low198 Ų198148.4 Ų148.493%0.92578%0.775SS**  trans66.981.1161.6-60.8-174.9162.600117.9
495F37.7Very low45.8Very low208 Ų208151.1 Ų151.191%0.91278%0.784SS**  trans-99.789.7149-141-80.9000109.7E497F495-E497 PolarHBondContact O-N 2.92Å
496D44.3Very low45Very low127 Ų127153.2 Ų153.268%0.67980%0.798SS**  trans20.887.7149.6-150.615.8000117.4N498D496-N498 PolarHBondContact O-N 3.28Å
497E42.4Very low44.5Very low203 Ų203154.9 Ų154.995%0.94982%0.817SS**  trans-82.865.4173-163.2167-135.900110.4F495 D499F495-E497 PolarHBondContact O-N 2.92Å; E497-D499 PolarHBondContact O-N 3.19Å; E497-D499 VanDerWaalsContact O-N 3.1Å
498N44.7Very low43.9Very low113 Ų113158.4 Ų158.460%0.60482%0.824SS**  trans-85.186.7-171.1-162.2106.4000112.7D496D496-N498 PolarHBondContact O-N 3.28Å
499D47.3Very low43.9Very low117 Ų117158.1 Ų158.163%0.62682%0.821SS**  trans29.2109.9148.4-167.716.7000118.4E497 S501E497-D499 PolarHBondContact O-N 3.19Å; E497-D499 VanDerWaalsContact O-N 3.1Å; D499-S501 PolarHBondContact OD1-N 3.15Å; D499-S501 PolarHBondContact OD1-OG 3.08Å; D499-S501 VanDerWaalsContact OD1-OG 3.08Å
500W48.7Very low44.1Very low248 Ų248163.2 Ų163.294%0.93983%0.834SS**  trans-132.490.3158.7-84.286000109.9
501S39.8Very low44Very low104 Ų104166.4 Ų166.473%0.72785%0.848SS**  trans-143.379.3170.24.40000113.2D499D499-S501 PolarHBondContact OD1-N 3.15Å; D499-S501 PolarHBondContact OD1-OG 3.08Å; D499-S501 VanDerWaalsContact OD1-OG 3.08Å
502D41.1Very low44Very low237 Ų237167.4 Ų167.4100%1.26785%0.85SS**  trans-158.90139-158.927.1000109.6

Retrieved 502 of 502 residues in 122.9 ms (Link to these results)