A0A087Y6B4_POEFO Loading...

Calcium/calmodulin-dependent protein kinase 1Da

AlphaFold DB , UniProt , Accession A0A087Y6B4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 401 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1G50.8Low80.7Confident85 Ų8585.8 Ų85.888%0.87651%0.508SS*.  0178.2000000110.9F3 S4G1-F3 PolarHBondContact O-N 2.85Å; G1-F3 VanDerWaalsContact O-N 3.15Å; G1-S4 PolarHBondContact N-O 3.09Å
2A50.6Low81.9Confident92 Ų9296.3 Ų96.376%0.7654%0.542SS*.THydrogen-bonded Turntrans-63.3-22-171.600000115.6
3F63.4Low82.9Confident144 Ų144101.5 Ų101.563%0.63257%0.567SS**THydrogen-bonded Turntrans-136.317.1-178.4-55.5-74.6000113.2G1 P24 A27G1-F3 PolarHBondContact O-N 2.85Å; G1-F3 VanDerWaalsContact O-N 3.15Å; F3-P24 WeakPolarHBondContact O-CD 3.33Å; F3-A27 HydrophobicContact CB-CB 4.4Å
4S73.2Confident83.9Confident21 Ų2199.8 Ų99.815%0.14756%0.56CS.*  trans-160.5148.1-178.746.70000111.9G1 K21 C22G1-S4 PolarHBondContact N-O 3.09Å; S4-K21 WeakPolarHBondContact OG-CE 3.41Å; S4-C22 WeakPolarHBondContact CA-O 3.49Å; S4-C22 WeakPolarHBondContact CB-O 3.37Å
5E85.2Confident84.6Confident131 Ų13195.5 Ų95.561%0.61255%0.547SS*.EExtended strand (participates in β ladder)trans-103.9146.2173.9-168.3177172.100109.2V7 K21 C22E5-V7 HydrophobicContact CG-CG1 3.95Å; E5-K21 CarbonylContact O-C 3.57Å; E5-K21 WeakPolarHBondContact O-CA 3.32Å; E5-C22 HydrophobicContact CB-CB 4.39Å; E5-C22 PolarHBondContact N-O 3.43Å; E5-C22 PolarHBondContact O-N 2.56Å
6V87.9Confident85.3Confident80 Ų8097.4 Ų97.449%0.48554%0.542SS..EExtended strand (participates in β ladder)trans-119120171.9-178.90000107.5A19 V20 K21 M67V6-A19 HydrophobicContact CG1-CB 4.23Å; V6-V20 WeakPolarHBondContact CA-O 3.07Å; V6-K21 HydrophobicContact CG2-CB 4.12Å; V6-K21 HydrophobicContact CG2-CG 4Å; V6-M67 HydrophobicContact CG1-CE 4.27Å
7V92.8Very high85.9Confident52 Ų5296.5 Ų96.532%0.31553%0.534SS..EExtended strand (participates in β ladder)trans-117.5146-177.7-59.20000111E5 V20E5-V7 HydrophobicContact CG-CG1 3.95Å; V7-V20 HydrophobicContact CG2-CB 3.97Å; V7-V20 PolarHBondContact N-O 3.39Å; V7-V20 PolarHBondContact O-N 3.33Å
8L94.6Very high86.4Confident119 Ų11992 Ų9262%0.62351%0.508SS*.EExtended strand (participates in β ladder)trans-74.9124.7168.2-179.664.6000108.7M17 L69L8-M17 HydrophobicContact CD1-CE 3.68Å; L8-M17 HydrophobicContact CD2-CE 3.83Å; L8-M17 HydrophobicContact CG-CE 3.61Å; L8-L69 HydrophobicContact CD1-CD1 3.75Å; L8-L69 HydrophobicContact CD1-CD2 3.65Å; L8-L69 HydrophobicContact CD1-CG 4.36Å
9A95.9Very high86.8Confident30 Ų3087.9 Ų87.925%0.24849%0.488CS..EExtended strand (participates in β ladder)trans-125153.1179.800000111.8M17 F18 V20A9-M17 WeakPolarHBondContact O-CA 3.33Å; A9-F18 PolarHBondContact N-O 2.95Å; A9-F18 PolarHBondContact O-N 3.28Å; A9-V20 HydrophobicContact CB-CB 4.39Å; A9-V20 HydrophobicContact CB-CG2 3.49Å; A9-V20 VanDerWaalsContact CB-CG2 3.49Å
10Q96.9Very high87.1Confident124 Ų12484.2 Ų84.258%0.57947%0.467SS*.EExtended strand (participates in β ladder)trans-117128.6171.4-169.717338.200110.1K12 G15 R16 M17Q10-K12 PolarHBondContact O-N 3.14Å; Q10-G15 WeakPolarHBondContact CG-O 3.42Å; Q10-G15 PolarHBondContact NE2-O 3.32Å; Q10-R16 CarbonylContact C-O 3.59Å; Q10-R16 WeakPolarHBondContact CA-O 3.5Å; Q10-M17 HydrophobicContact CB-CE 4.34Å; Q10-M17 HydrophobicContact CB-SD 3.66Å; Q10-M17 HydrophobicContact CG-SD 3.63Å
11E96.2Very high87.2Confident66 Ų6680.2 Ų80.231%0.30845%0.445SS..  trans-70.3116.3172.2177.8-179.3-161.300109.8L13 T14 G15 R16 F18E11-L13 PolarHBondContact O-N 3.28Å; E11-L13 VanDerWaalsContact O-N 3.14Å; E11-T14 HydrophobicContact CG-CG2 4.31Å; E11-T14 PolarHBondContact O-N 2.91Å; E11-T14 WeakPolarHBondContact OE2-CB 3.4Å; E11-T14 VanDerWaalsContact OE2-CG2 3.24Å; E11-T14 WeakPolarHBondContact OE2-CG2 3.24Å; E11-T14 PolarHBondContact OE2-OG1 2.85Å; E11-G15 WeakPolarHBondContact O-CA 3.46Å; E11-G15 PolarHBondContact O-N 3.2Å; E11-R16 PolarHBondContact N-O 2.82Å; E11-F18 HydrophobicContact CB-CD2 4.31Å; E11-F18 HydrophobicContact CB-CE2 3.82Å
12K95.9Very high89.1Confident212 Ų21277.1 Ų77.192%0.92241%0.41SS*.THydrogen-bonded Turntrans-59.2-28.3-173.2-68.6-178.7178.5178.50114.8Q10Q10-K12 PolarHBondContact O-N 3.14Å
13L94.9Very high90.8Very high164 Ų16473.1 Ų73.186%0.85938%0.376SS*.THydrogen-bonded Turntrans-84.8-33.7-176.3-65.7176.5000113.2E11E11-L13 PolarHBondContact O-N 3.28Å; E11-L13 VanDerWaalsContact O-N 3.14Å
14T96.1Very high91.9Very high77 Ų7768.4 Ų68.447%0.47236%0.36SS..THydrogen-bonded Turntrans-113.3-16.6-170.968.20000113.3E11 R16E11-T14 HydrophobicContact CG-CG2 4.31Å; E11-T14 PolarHBondContact O-N 2.91Å; E11-T14 WeakPolarHBondContact OE2-CB 3.4Å; E11-T14 VanDerWaalsContact OE2-CG2 3.24Å; E11-T14 WeakPolarHBondContact OE2-CG2 3.24Å; E11-T14 PolarHBondContact OE2-OG1 2.85Å; T14-R16 PolarHBondContact O-N 2.96Å; T14-R16 WeakPolarHBondContact OG1-CB 3.39Å; T14-R16 WeakPolarHBondContact OG1-CG 3.46Å; T14-R16 PolarHBondContact OG1-N 3.31Å; T14-R16 VanDerWaalsContact OG1-N 3.09Å
15G94.9Very high92.4Very high35 Ų3570 Ų7036%0.36136%0.364SS..  trans72.71.8-170.200000114.6Q10 E11Q10-G15 WeakPolarHBondContact CG-O 3.42Å; Q10-G15 PolarHBondContact NE2-O 3.32Å; E11-G15 WeakPolarHBondContact O-CA 3.46Å; E11-G15 PolarHBondContact O-N 3.2Å
16R95.7Very high92.3Very high126 Ų12672.5 Ų72.548%0.47537%0.373SS..  trans-65.1141.9-179.8-71.2175.968.3-163.8-1.4111.5Q10 E11 T14 F18 E54Q10-R16 CarbonylContact C-O 3.59Å; Q10-R16 WeakPolarHBondContact CA-O 3.5Å; E11-R16 PolarHBondContact N-O 2.82Å; T14-R16 PolarHBondContact O-N 2.96Å; T14-R16 WeakPolarHBondContact OG1-CB 3.39Å; T14-R16 WeakPolarHBondContact OG1-CG 3.46Å; T14-R16 PolarHBondContact OG1-N 3.31Å; T14-R16 VanDerWaalsContact OG1-N 3.09Å; R16-F18 HydrophobicContact CB-CD2 4.39Å; R16-F18 HydrophobicContact CB-CE2 3.55Å; R16-F18 HydrophobicContact CB-CZ 3.91Å; R16-E54 IonicContact NH2-OE1 2.91Å; R16-E54 PolarHBondContact NH2-OE1 2.83Å
17M96.1Very high91.5Very high82 Ų8271.3 Ų71.340%0.40437%0.371SS..EExtended strand (participates in β ladder)trans-98.5138.8-180-57.2-61.1-63.900111.3L8 A9 Q10 L69L8-M17 HydrophobicContact CD1-CE 3.68Å; L8-M17 HydrophobicContact CD2-CE 3.83Å; L8-M17 HydrophobicContact CG-CE 3.61Å; A9-M17 WeakPolarHBondContact O-CA 3.33Å; Q10-M17 HydrophobicContact CB-CE 4.34Å; Q10-M17 HydrophobicContact CB-SD 3.66Å; Q10-M17 HydrophobicContact CG-SD 3.63Å; M17-L69 HydrophobicContact CB-CD2 3.68Å
18F95.2Very high90.4Very high16 Ų1669.7 Ų69.77%0.0736%0.361CS..EExtended strand (participates in β ladder)trans-138.6158.1-177.6-63-84.1000111.4A9 E11 R16 E54 I66A9-F18 PolarHBondContact N-O 2.95Å; A9-F18 PolarHBondContact O-N 3.28Å; E11-F18 HydrophobicContact CB-CD2 4.31Å; E11-F18 HydrophobicContact CB-CE2 3.82Å; R16-F18 HydrophobicContact CB-CD2 4.39Å; R16-F18 HydrophobicContact CB-CE2 3.55Å; R16-F18 HydrophobicContact CB-CZ 3.91Å; F18-E54 HydrophobicContact CD1-CG 4.21Å; F18-E54 HydrophobicContact CE1-CB 4.18Å; F18-E54 HydrophobicContact CE1-CG 3.89Å; F18-I66 HydrophobicContact CB-CG2 3.87Å; F18-I66 HydrophobicContact CD1-CG2 3.76Å; F18-I66 HydrophobicContact CD2-CG2 4.37Å; F18-I66 HydrophobicContact CE1-CG2 4.36Å; F18-I66 HydrophobicContact CG-CG2 3.75Å
19A93.8Very high89.3Confident15 Ų1572.3 Ų72.312%0.12437%0.367CS..EExtended strand (participates in β ladder)trans-97.2121.1165.400000108.7V6 M67 L69V6-A19 HydrophobicContact CG1-CB 4.23Å; A19-M67 HydrophobicContact CB-CB 4.48Å; A19-M67 HydrophobicContact CB-CE 4.16Å; A19-M67 PolarHBondContact N-O 3.36Å; A19-M67 WeakPolarHBondContact O-CA 3.18Å; A19-M67 VanDerWaalsContact O-CB 3.32Å; A19-M67 WeakPolarHBondContact O-CB 3.12Å; A19-M67 PolarHBondContact O-N 3.34Å; A19-L69 HydrophobicContact CB-CD1 4.24Å
20V93Very high88.1Confident12 Ų1274.1 Ų74.17%0.07339%0.389CS..EExtended strand (participates in β ladder)trans-109.4115.7-176.9178.70000109.9V6 V7 A9 Y64 L65 I66V6-V20 WeakPolarHBondContact CA-O 3.07Å; V7-V20 HydrophobicContact CG2-CB 3.97Å; V7-V20 PolarHBondContact N-O 3.39Å; V7-V20 PolarHBondContact O-N 3.33Å; A9-V20 HydrophobicContact CB-CB 4.39Å; A9-V20 HydrophobicContact CB-CG2 3.49Å; A9-V20 VanDerWaalsContact CB-CG2 3.49Å; V20-Y64 HydrophobicContact CG1-CD1 4.15Å; V20-L65 WeakPolarHBondContact CA-O 3.49Å; V20-I66 HydrophobicContact CB-CD1 4.36Å; V20-I66 HydrophobicContact CG1-CD1 3.9Å; V20-I66 HydrophobicContact CG2-CD1 3.61Å
21K89.3Confident86.6Confident2 Ų273.3 Ų73.31%0.00938%0.383CS..EExtended strand (participates in β ladder)trans-89.8108.7174.9-172.7177.6178.8-173.70110S4 E5 V6 I23 Y64 L65 M67 D134S4-K21 WeakPolarHBondContact OG-CE 3.41Å; E5-K21 CarbonylContact O-C 3.57Å; E5-K21 WeakPolarHBondContact O-CA 3.32Å; V6-K21 HydrophobicContact CG2-CB 4.12Å; V6-K21 HydrophobicContact CG2-CG 4Å; K21-I23 HydrophobicContact CD-CD1 4.35Å; K21-I23 HydrophobicContact CG-CD1 4.43Å; K21-I23 HydrophobicContact CG-CG1 4.11Å; K21-Y64 WeakPolarHBondContact O-CA 3.38Å; K21-L65 HydrophobicContact CB-CB 4.23Å; K21-L65 HydrophobicContact CD-CD1 4.45Å; K21-L65 PolarHBondContact N-O 2.93Å; K21-L65 PolarHBondContact O-N 3.06Å; K21-M67 HydrophobicContact CB-CE 3.87Å; K21-M67 HydrophobicContact CB-SD 4.24Å; K21-D134 IonicContact NZ-OD1 3.13Å; K21-D134 PolarHBondContact NZ-OD1 3.37Å
22C90.3Very high85.3Confident20 Ų2074.7 Ų74.714%0.13539%0.39CS..EExtended strand (participates in β ladder)trans-87.2118.2177.6-56.30000109.9S4 E5 Y64S4-C22 WeakPolarHBondContact CA-O 3.49Å; S4-C22 WeakPolarHBondContact CB-O 3.37Å; E5-C22 HydrophobicContact CB-CB 4.39Å; E5-C22 PolarHBondContact N-O 3.43Å; E5-C22 PolarHBondContact O-N 2.56Å; C22-Y64 HydrophobicContact CB-CD1 4.26Å; C22-Y64 HydrophobicContact CB-CE1 4.3Å
23I85.6Confident83.9Confident8 Ų868.8 Ų68.84%0.04138%0.375CS..EExtended strand (participates in β ladder)trans-120.4113.1-177.6-51.6179.1000109K21 K25 L28 H62 L63 L65K21-I23 HydrophobicContact CD-CD1 4.35Å; K21-I23 HydrophobicContact CG-CD1 4.43Å; K21-I23 HydrophobicContact CG-CG1 4.11Å; I23-K25 PolarHBondContact O-N 3.24Å; I23-L28 HydrophobicContact CG2-CD1 3.99Å; I23-L28 HydrophobicContact CG2-CD2 4.02Å; I23-L28 HydrophobicContact CG2-CG 4.13Å; I23-H62 CarbonylContact O-C 3.57Å; I23-H62 WeakPolarHBondContact O-CA 3.44Å; I23-L63 HydrophobicContact CB-CB 4.49Å; I23-L63 PolarHBondContact N-O 3.49Å; I23-L63 PolarHBondContact O-N 2.83Å; I23-L65 HydrophobicContact CD1-CD1 3.9Å; I23-L65 HydrophobicContact CD1-CG 4.21Å
24P86.3Confident82.5Confident45 Ų4564.4 Ų64.429%0.29236%0.358SS..EExtended strand (participates in β ladder)trans-66.1125.7176.2-19.231.9000111.2F3 K26 A27F3-P24 WeakPolarHBondContact O-CD 3.33Å; P24-K26 PolarHBondContact O-N 3.25Å; P24-A27 WeakPolarHBondContact O-CB 3.45Å; P24-A27 PolarHBondContact O-N 3.38Å
25K84.4Confident81.3Confident55 Ų5561.7 Ų61.724%0.23934%0.34CS..G310 helixtrans-57.3-26.3178.5-74.8176.7165.2-177.30113.4I23 A27 L28 K29 E58 S59 D61 L63I23-K25 PolarHBondContact O-N 3.24Å; K25-A27 PolarHBondContact O-N 3Å; K25-L28 WeakPolarHBondContact O-CA 3.48Å; K25-L28 WeakPolarHBondContact O-CB 3.48Å; K25-L28 PolarHBondContact O-N 2.89Å; K25-K29 PolarHBondContact O-N 3.27Å; K25-E58 WeakPolarHBondContact CE-OE1 3.35Å; K25-E58 VanDerWaalsContact NZ-CG 3.29Å; K25-E58 IonicContact NZ-OE1 3.56Å; K25-E58 PolarHBondContact NZ-OE1 2.79Å; K25-S59 VanDerWaalsContact CE-O 3.26Å; K25-S59 WeakPolarHBondContact CE-O 3.38Å; K25-S59 PolarHBondContact NZ-O 2.79Å; K25-D61 WeakPolarHBondContact CB-O 3.49Å; K25-D61 PolarHBondContact N-O 3.19Å; K25-L63 HydrophobicContact CG-CG 4.45Å
26K82.9Confident80.2Confident183 Ų18366.3 Ų66.380%0.79635%0.353SS*.G310 helixtrans-58.2-30.1173-66177.7-176.8170.20112.9P24 L28P24-K26 PolarHBondContact O-N 3.25Å; K26-L28 VanDerWaalsContact C-N 3.27Å
27A71Confident78.9Confident54 Ų5465.1 Ų65.145%0.44636%0.356SS..G310 helixtrans-77.4-12.117500000113.3F3 P24 K25F3-A27 HydrophobicContact CB-CB 4.4Å; P24-A27 WeakPolarHBondContact O-CB 3.45Å; P24-A27 PolarHBondContact O-N 3.38Å; K25-A27 PolarHBondContact O-N 3Å
28L70.4Confident77.6Confident19 Ų1962.4 Ų62.410%0.09934%0.342CS..G310 helixtrans-104.81.3-176.8-53178.8000112.9I23 K25 K26 G30 K31 I35 L63I23-L28 HydrophobicContact CG2-CD1 3.99Å; I23-L28 HydrophobicContact CG2-CD2 4.02Å; I23-L28 HydrophobicContact CG2-CG 4.13Å; K25-L28 WeakPolarHBondContact O-CA 3.48Å; K25-L28 WeakPolarHBondContact O-CB 3.48Å; K25-L28 PolarHBondContact O-N 2.89Å; K26-L28 VanDerWaalsContact C-N 3.27Å; L28-G30 PolarHBondContact O-N 2.63Å; L28-K31 WeakPolarHBondContact O-CA 3.34Å; L28-K31 PolarHBondContact O-N 2.78Å; L28-I35 HydrophobicContact CD1-CD1 3.59Å; L28-I35 HydrophobicContact CD1-CG2 4.44Å; L28-I35 HydrophobicContact CD2-CD1 3.83Å; L28-I35 HydrophobicContact CG-CD1 4.32Å; L28-L63 HydrophobicContact CD1-CD1 3.62Å; L28-L63 HydrophobicContact CD1-CG 4.45Å
29K70.4Confident76.7Confident174 Ų17462.6 Ų62.676%0.75734%0.344SS*.THydrogen-bonded Turntrans-62.1123.2-172.6-168.1176.5-177.5-178.60111.6K25 E32K25-K29 PolarHBondContact O-N 3.27Å; K29-E32 WeakPolarHBondContact CA-OE1 3.3Å
30G70Confident75.9Confident68 Ų6863.7 Ų63.770%0.70135%0.353SS*.THydrogen-bonded Turntrans8610.3-172.900000114.8L28 E32L28-G30 PolarHBondContact O-N 2.63Å; G30-E32 WeakPolarHBondContact CA-OE2 3.32Å; G30-E32 VanDerWaalsContact N-CD 3.33Å; G30-E32 PolarHBondContact N-OE1 2.91Å; G30-E32 PolarHBondContact N-OE2 3.12Å
31K66.3Low75.1Confident106 Ų10664.3 Ų64.346%0.46136%0.356SS..  trans-135.313.6176.9-63.2-178.7-177.9172.50112.8L28 S33 S34 I35 M147L28-K31 WeakPolarHBondContact O-CA 3.34Å; L28-K31 PolarHBondContact O-N 2.78Å; K31-S33 PolarHBondContact O-N 3.35Å; K31-S34 WeakPolarHBondContact O-CA 3.39Å; K31-S34 WeakPolarHBondContact O-CB 3.43Å; K31-S34 PolarHBondContact O-N 2.96Å; K31-I35 PolarHBondContact O-N 3.28Å; K31-M147 HydrophobicContact CD-CE 4.37Å; K31-M147 VanDerWaalsContact NZ-CE 3.29Å
32E69.5Low74.6Confident95 Ų9564.5 Ų64.544%0.44436%0.358SS..Hα-helixtrans-57.5-46.4-172.1-63.487.2162.500112K29 G30 S34 I35 E36K29-E32 WeakPolarHBondContact CA-OE1 3.3Å; G30-E32 WeakPolarHBondContact CA-OE2 3.32Å; G30-E32 VanDerWaalsContact N-CD 3.33Å; G30-E32 PolarHBondContact N-OE1 2.91Å; G30-E32 PolarHBondContact N-OE2 3.12Å; E32-S34 VanDerWaalsContact C-N 3.28Å; E32-S34 PolarHBondContact O-N 3.29Å; E32-I35 WeakPolarHBondContact O-CG2 3.38Å; E32-I35 PolarHBondContact O-N 3.32Å; E32-E36 PolarHBondContact O-N 3.29Å
33S65.1Low74.2Confident88 Ų8869.2 Ų69.262%0.61537%0.373SS*.Hα-helixtrans-69.4-21.5175.5570000114.3K31 N37K31-S33 PolarHBondContact O-N 3.35Å; S33-N37 PolarHBondContact O-ND2 2.89Å
34S66.1Low74.2Confident72 Ų7276.7 Ų76.750%0.50340%0.4SS..Hα-helixtrans-76.4-38.5174.2-169.80000111.2K31 E32 N37 E38K31-S34 WeakPolarHBondContact O-CA 3.39Å; K31-S34 WeakPolarHBondContact O-CB 3.43Å; K31-S34 PolarHBondContact O-N 2.96Å; E32-S34 VanDerWaalsContact C-N 3.28Å; E32-S34 PolarHBondContact O-N 3.29Å; S34-N37 PolarHBondContact O-N 2.92Å; S34-E38 PolarHBondContact O-N 2.74Å
35I70.4Confident74.3Confident20 Ų2074.9 Ų74.910%0.10339%0.388CS..Hα-helixtrans-74.9-31.4-176.6-157.4172.6000112.5L28 K31 E32 N37 E38 I39 L63L28-I35 HydrophobicContact CD1-CD1 3.59Å; L28-I35 HydrophobicContact CD1-CG2 4.44Å; L28-I35 HydrophobicContact CD2-CD1 3.83Å; L28-I35 HydrophobicContact CG-CD1 4.32Å; K31-I35 PolarHBondContact O-N 3.28Å; E32-I35 WeakPolarHBondContact O-CG2 3.38Å; E32-I35 PolarHBondContact O-N 3.32Å; I35-N37 PolarHBondContact O-N 3.47Å; I35-E38 PolarHBondContact O-N 2.87Å; I35-I39 HydrophobicContact CG1-CD1 4.15Å; I35-I39 HydrophobicContact CG1-CG1 4.37Å; I35-I39 WeakPolarHBondContact O-CB 3.21Å; I35-I39 VanDerWaalsContact O-CG1 3.26Å; I35-I39 WeakPolarHBondContact O-CG1 3.46Å; I35-I39 PolarHBondContact O-N 2.82Å; I35-L63 HydrophobicContact CD1-CD1 4Å; I35-L63 HydrophobicContact CG2-CD1 4.29Å
36E72.6Confident74.6Confident133 Ų13380.4 Ų80.462%0.62141%0.412SS*.Hα-helixtrans-60.6-43.8172.6-71.6177.1-174.600112.2E32 I39 A40E32-E36 PolarHBondContact O-N 3.29Å; E36-I39 WeakPolarHBondContact O-CB 3.48Å; E36-I39 PolarHBondContact O-N 3Å; E36-A40 WeakPolarHBondContact O-CB 3.48Å; E36-A40 PolarHBondContact O-N 3.43Å
37N68Low75.2Confident100 Ų10073.8 Ų73.854%0.53538%0.384SS..Hα-helixtrans-65-43175.2-77.4-62.6000111.6S33 S34 I35 A40 V41S33-N37 PolarHBondContact O-ND2 2.89Å; S34-N37 PolarHBondContact O-N 2.92Å; I35-N37 PolarHBondContact O-N 3.47Å; N37-A40 PolarHBondContact O-N 3.28Å; N37-V41 WeakPolarHBondContact O-CG2 3.26Å; N37-V41 PolarHBondContact O-N 3.3Å; N37-V41 VanDerWaalsContact O-N 3.12Å
38E68.6Low76.4Confident25 Ų2577.3 Ų77.312%0.11739%0.391CS..Hα-helixtrans-60.8-49.2175.6-166.4178.6162.200110.9S34 I35 A40 V41 L42 L137 S138S34-E38 PolarHBondContact O-N 2.74Å; I35-E38 PolarHBondContact O-N 2.87Å; E38-A40 VanDerWaalsContact C-N 3.3Å; E38-A40 PolarHBondContact O-N 3.22Å; E38-V41 CarbonylContact O-C 3.59Å; E38-V41 WeakPolarHBondContact O-CA 3.4Å; E38-V41 WeakPolarHBondContact O-CB 3.41Å; E38-V41 PolarHBondContact O-N 3.16Å; E38-L42 HydrophobicContact CG-CD1 4.27Å; E38-L42 HydrophobicContact CG-CG 4.33Å; E38-L42 VanDerWaalsContact O-CG 3.3Å; E38-L42 WeakPolarHBondContact O-CG 3.48Å; E38-L42 PolarHBondContact O-N 2.96Å; E38-L137 WeakPolarHBondContact OE1-CA 3.35Å; E38-L137 PolarHBondContact OE1-N 3.11Å; E38-S138 PolarHBondContact OE1-N 3.04Å
39I76.3Confident77.6Confident21 Ų2176.6 Ų76.611%0.10839%0.387CS..Hα-helixtrans-51.6-44.8172.7-82.9170.1000112.5I35 E36 V41 L42 R43 I56 L63I35-I39 HydrophobicContact CG1-CD1 4.15Å; I35-I39 HydrophobicContact CG1-CG1 4.37Å; I35-I39 WeakPolarHBondContact O-CB 3.21Å; I35-I39 VanDerWaalsContact O-CG1 3.26Å; I35-I39 WeakPolarHBondContact O-CG1 3.46Å; I35-I39 PolarHBondContact O-N 2.82Å; E36-I39 WeakPolarHBondContact O-CB 3.48Å; E36-I39 PolarHBondContact O-N 3Å; I39-V41 PolarHBondContact O-N 3.01Å; I39-L42 PolarHBondContact O-N 3.47Å; I39-R43 PolarHBondContact O-N 2.82Å; I39-I56 HydrophobicContact CB-CD1 3.89Å; I39-I56 HydrophobicContact CD1-CD1 3.94Å; I39-I56 HydrophobicContact CG1-CD1 3.63Å; I39-I56 HydrophobicContact CG2-CD1 3.22Å; I39-L63 HydrophobicContact CD1-CD1 4.19Å
40A77.8Confident78.8Confident38 Ų3868.4 Ų68.431%0.31435%0.352SS..Hα-helixtrans-67.3-24.117800000112.7E36 N37 E38 R44E36-A40 WeakPolarHBondContact O-CB 3.48Å; E36-A40 PolarHBondContact O-N 3.43Å; N37-A40 PolarHBondContact O-N 3.28Å; E38-A40 VanDerWaalsContact C-N 3.3Å; E38-A40 PolarHBondContact O-N 3.22Å; A40-R44 WeakPolarHBondContact O-CG 3.26Å; A40-R44 PolarHBondContact O-NH1 2.89Å
41V76.2Confident79.8Confident24 Ų2465.6 Ų65.615%0.14532%0.321CS..Hα-helixtrans-81.3-46.1171173.20000110.7N37 E38 I39 R43 R44 I45 I109 M140N37-V41 WeakPolarHBondContact O-CG2 3.26Å; N37-V41 PolarHBondContact O-N 3.3Å; N37-V41 VanDerWaalsContact O-N 3.12Å; E38-V41 CarbonylContact O-C 3.59Å; E38-V41 WeakPolarHBondContact O-CA 3.4Å; E38-V41 WeakPolarHBondContact O-CB 3.41Å; E38-V41 PolarHBondContact O-N 3.16Å; I39-V41 PolarHBondContact O-N 3.01Å; V41-R43 VanDerWaalsContact C-N 3.28Å; V41-R43 PolarHBondContact O-N 2.86Å; V41-R44 WeakPolarHBondContact O-CA 3.3Å; V41-R44 WeakPolarHBondContact O-CB 3.26Å; V41-R44 PolarHBondContact O-N 2.94Å; V41-I45 PolarHBondContact O-N 2.67Å; V41-I109 HydrophobicContact CG1-CD1 3.39Å; V41-I109 HydrophobicContact CG1-CG1 3.9Å; V41-M140 HydrophobicContact CG2-SD 3.78Å
42L78Confident81Confident7 Ų762 Ų624%0.03731%0.311CS..Hα-helixtrans-55.3-41178.1-63171.6000111.8E38 I39 R44 I45 L53 F135E38-L42 HydrophobicContact CG-CD1 4.27Å; E38-L42 HydrophobicContact CG-CG 4.33Å; E38-L42 VanDerWaalsContact O-CG 3.3Å; E38-L42 WeakPolarHBondContact O-CG 3.48Å; E38-L42 PolarHBondContact O-N 2.96Å; I39-L42 PolarHBondContact O-N 3.47Å; L42-R44 PolarHBondContact O-N 3.37Å; L42-I45 HydrophobicContact CD2-CD1 4.07Å; L42-I45 PolarHBondContact O-N 3.34Å; L42-L53 HydrophobicContact CB-CD2 3.63Å; L42-F135 HydrophobicContact CD2-CD2 3.37Å; L42-F135 HydrophobicContact CD2-CE2 3.4Å
43R82.9Confident82Confident119 Ų11958.7 Ų58.745%0.44930%0.296SS..THydrogen-bonded Turntrans-63.4-17.2174.9-81.8-179.7157.8151.9-6114.8I39 V41 L53 D55I39-R43 PolarHBondContact O-N 2.82Å; V41-R43 VanDerWaalsContact C-N 3.28Å; V41-R43 PolarHBondContact O-N 2.86Å; R43-L53 HydrophobicContact CG-CD2 3.91Å; R43-D55 IonicContact NH2-OD1 3.5Å; R43-D55 PolarHBondContact NH2-OD1 3.42Å
44R84.6Confident83.2Confident164 Ų16458.8 Ų58.862%0.61929%0.287SS*.THydrogen-bonded Turntrans-96-16.2179-66.7176.6173.1111.9-12113.2A40 V41 L42 K46 Y103 M107A40-R44 WeakPolarHBondContact O-CG 3.26Å; A40-R44 PolarHBondContact O-NH1 2.89Å; V41-R44 WeakPolarHBondContact O-CA 3.3Å; V41-R44 WeakPolarHBondContact O-CB 3.26Å; V41-R44 PolarHBondContact O-N 2.94Å; L42-R44 PolarHBondContact O-N 3.37Å; R44-K46 PolarHBondContact O-N 3.12Å; R44-Y103 PolarHBondContact O-OH 3.16Å; R44-M107 HydrophobicContact CB-CE 3.94Å
45I88.7Confident84.4Confident7 Ų757.9 Ų57.94%0.03628%0.277CS..  trans-69.2114178.6-66.3169.4000108.7V41 L42 I50 Y103 L104 M107 I109 F135V41-I45 PolarHBondContact O-N 2.67Å; L42-I45 HydrophobicContact CD2-CD1 4.07Å; L42-I45 PolarHBondContact O-N 3.34Å; I45-I50 HydrophobicContact CG2-CB 4.37Å; I45-I50 HydrophobicContact CG2-CD1 4.09Å; I45-I50 HydrophobicContact CG2-CG2 3.77Å; I45-Y103 HydrophobicContact CB-CE1 4.46Å; I45-Y103 HydrophobicContact CG2-CE1 4.04Å; I45-L104 HydrophobicContact CD1-CD2 3.86Å; I45-L104 HydrophobicContact CG1-CD2 4.29Å; I45-L104 HydrophobicContact CG2-CD2 4.26Å; I45-M107 HydrophobicContact CG1-CE 4.21Å; I45-M107 HydrophobicContact CG1-SD 4.01Å; I45-I109 HydrophobicContact CD1-CD1 3.54Å; I45-I109 HydrophobicContact CG1-CD1 3.87Å; I45-F135 HydrophobicContact CD1-CD2 3.86Å; I45-F135 HydrophobicContact CD1-CE2 3.6Å; I45-F135 HydrophobicContact CG2-CE2 4.25Å; I45-F135 HydrophobicContact CG2-CZ 4.32Å
46K90.5Very high85.3Confident171 Ų17158 Ų5874%0.74328%0.277SS*.  trans-138.597.8176.6-65.9-171.3178.7-172.50108.4R44 Y103R44-K46 PolarHBondContact O-N 3.12Å; K46-Y103 PolarHBondContact N-OH 3.48Å; K46-Y103 PolarHBondContact O-OH 2.97Å
47H95.3Very high86.2Confident45 Ų4558.1 Ų58.121%0.20827%0.273CS..  trans-139.2147178.7-171.2-94.6000109.2N49 I50 A100 Y103H47-N49 VanDerWaalsContact C-N 3.27Å; H47-N49 PolarHBondContact ND1-N 3.44Å; H47-N49 PolarHBondContact O-N 3.42Å; H47-I50 HydrophobicContact CB-CB 4.1Å; H47-I50 HydrophobicContact CB-CD1 3.67Å; H47-I50 HydrophobicContact CB-CG1 3.8Å; H47-I50 PolarHBondContact O-N 2.94Å; H47-A100 VanDerWaalsContact CE1-CA 3.48Å; H47-A100 WeakPolarHBondContact CE1-CA 3.33Å; H47-A100 PolarHBondContact CE1-N 2.75Å; H47-Y103 HydrophobicContact CB-CD1 3.82Å; H47-Y103 HydrophobicContact CB-CE1 4.02Å; H47-Y103 HydrophobicContact CB-CG 4.13Å; H47-Y103 AromaticContact CD2-CG 3.78Å
48E95.9Very high87.2Confident127 Ų12759.8 Ų59.859%0.59328%0.278SS*.THydrogen-bonded Turntrans-68.4-27.7-172.471.5175.9114.200113.7K129 M131E48-K129 WeakPolarHBondContact O-CD 3.39Å; E48-K129 VanDerWaalsContact O-CE 3.3Å; E48-K129 WeakPolarHBondContact O-CE 3.25Å; E48-K129 PolarHBondContact O-NZ 3.15Å; E48-M131 WeakPolarHBondContact O-CE 3.42Å
49N96.8Very high88.3Confident4 Ų459.9 Ų59.92%0.02128%0.281CS..THydrogen-bonded Turntrans-102.321.8178.2-58.9112.6000113.3H47 Q96 A100 I130 M131 I132H47-N49 VanDerWaalsContact C-N 3.27Å; H47-N49 PolarHBondContact ND1-N 3.44Å; H47-N49 PolarHBondContact O-N 3.42Å; N49-Q96 PolarHBondContact ND2-OE1 3.24Å; N49-A100 HydrophobicContact CB-CB 4.05Å; N49-I130 WeakPolarHBondContact CA-O 3.28Å; N49-I130 WeakPolarHBondContact CB-O 3.36Å; N49-I130 PolarHBondContact ND2-O 3.41Å; N49-M131 WeakPolarHBondContact O-CA 3.31Å; N49-I132 PolarHBondContact O-N 2.89Å
50I94.4Very high89Confident3 Ų365.1 Ų65.12%0.01532%0.316CS..BIsolated β-bridgetrans-126.5134.4175.7-57.9179.4000108.6I45 H47 A52 A100 Y103 L104 M131 F135I45-I50 HydrophobicContact CG2-CB 4.37Å; I45-I50 HydrophobicContact CG2-CD1 4.09Å; I45-I50 HydrophobicContact CG2-CG2 3.77Å; H47-I50 HydrophobicContact CB-CB 4.1Å; H47-I50 HydrophobicContact CB-CD1 3.67Å; H47-I50 HydrophobicContact CB-CG1 3.8Å; H47-I50 PolarHBondContact O-N 2.94Å; I50-A52 PolarHBondContact O-N 3.41Å; I50-A52 VanDerWaalsContact O-N 3.16Å; I50-A100 HydrophobicContact CD1-CB 4.04Å; I50-A100 HydrophobicContact CG1-CB 3.68Å; I50-Y103 HydrophobicContact CD1-CD1 3.93Å; I50-Y103 HydrophobicContact CD1-CE1 4.49Å; I50-L104 HydrophobicContact CD1-CD1 4.12Å; I50-L104 HydrophobicContact CD1-CD2 3.86Å; I50-L104 HydrophobicContact CD1-CG 3.73Å; I50-M131 WeakPolarHBondContact O-CE 3.44Å; I50-F135 HydrophobicContact CG2-CD1 3.69Å; I50-F135 HydrophobicContact CG2-CE1 3.19Å; I50-F135 HydrophobicContact CG2-CE2 4.4Å; I50-F135 HydrophobicContact CG2-CG 4.5Å; I50-F135 HydrophobicContact CG2-CZ 3.6Å
51V92.1Very high89.6Confident8 Ų867.1 Ų67.15%0.04832%0.322CS..  trans-60118177.9174.60000109.9M67 Q68 V70 M131 I132 F135V51-M67 HydrophobicContact CG1-CB 3.91Å; V51-Q68 HydrophobicContact CG1-CB 4.24Å; V51-V70 HydrophobicContact CG2-CG2 3.78Å; V51-M131 HydrophobicContact CG2-CB 4.1Å; V51-I132 WeakPolarHBondContact CG2-O 3.43Å; V51-I132 PolarHBondContact N-O 3.04Å; V51-F135 HydrophobicContact CB-CE1 4.38Å; V51-F135 VanDerWaalsContact O-CE1 3.26Å; V51-F135 WeakPolarHBondContact O-CE1 3.3Å; V51-F135 WeakPolarHBondContact O-CZ 3.44Å
52A90.9Very high90.3Very high31 Ų3168.3 Ų68.326%0.25633%0.325SS..  trans-68.9137.7-179.500000111.8I50 M67 Q68I50-A52 PolarHBondContact O-N 3.41Å; I50-A52 VanDerWaalsContact O-N 3.16Å; A52-M67 WeakPolarHBondContact O-CA 3.18Å; A52-Q68 HydrophobicContact CB-CB 4.13Å; A52-Q68 PolarHBondContact O-N 3.36Å
53L90.6Very high90.8Very high25 Ų2568.4 Ų68.413%0.13133%0.326CS..EExtended strand (participates in β ladder)trans-86.6109.9164.7179.468.5000108.3L42 R43 D55 I56 L65 M67L42-L53 HydrophobicContact CB-CD2 3.63Å; R43-L53 HydrophobicContact CG-CD2 3.91Å; L53-D55 WeakPolarHBondContact CD1-O 3.42Å; L53-I56 HydrophobicContact CD1-CG1 4.17Å; L53-I56 HydrophobicContact CD2-CD1 3.98Å; L53-I56 HydrophobicContact CD2-CG1 4.08Å; L53-I56 HydrophobicContact CG-CG1 4.42Å; L53-L65 HydrophobicContact CD1-CB 3.8Å; L53-L65 HydrophobicContact CD1-CD2 4.48Å; L53-M67 HydrophobicContact CD1-CG 4.43Å
54E90.8Very high91.1Very high90 Ų9066.2 Ų66.242%0.42132%0.318SS..EExtended strand (participates in β ladder)trans-83.2-46.9-175.2-65.4-89-145.200110.8R16 F18 I66R16-E54 IonicContact NH2-OE1 2.91Å; R16-E54 PolarHBondContact NH2-OE1 2.83Å; F18-E54 HydrophobicContact CD1-CG 4.21Å; F18-E54 HydrophobicContact CE1-CB 4.18Å; F18-E54 HydrophobicContact CE1-CG 3.89Å; E54-I66 HydrophobicContact CB-CG2 4.43Å; E54-I66 PolarHBondContact N-O 2.93Å
55D90.6Very high91.4Very high54 Ų5458.7 Ų58.729%0.28929%0.29SS..EExtended strand (participates in β ladder)trans-156.9176.1175.5-154.61.3000112.9R43 L53 Y57 I66R43-D55 IonicContact NH2-OD1 3.5Å; R43-D55 PolarHBondContact NH2-OD1 3.42Å; L53-D55 WeakPolarHBondContact CD1-O 3.42Å; D55-Y57 HydrophobicContact CB-CE2 4.11Å; D55-Y57 PolarHBondContact OD2-OH 3.26Å; D55-I66 HydrophobicContact CB-CB 4.28Å; D55-I66 HydrophobicContact CB-CG1 4.22Å; D55-I66 PolarHBondContact N-O 3.23Å; D55-I66 WeakPolarHBondContact O-CB 3.47Å; D55-I66 PolarHBondContact O-N 3.25Å
56I89.3Confident91.6Very high23 Ų2359.5 Ų59.512%0.11829%0.294CS..EExtended strand (participates in β ladder)trans-137.1130.3175.2-57.4177.4000109.8I39 L53 Y64 L65I39-I56 HydrophobicContact CB-CD1 3.89Å; I39-I56 HydrophobicContact CD1-CD1 3.94Å; I39-I56 HydrophobicContact CG1-CD1 3.63Å; I39-I56 HydrophobicContact CG2-CD1 3.22Å; L53-I56 HydrophobicContact CD1-CG1 4.17Å; L53-I56 HydrophobicContact CD2-CD1 3.98Å; L53-I56 HydrophobicContact CD2-CG1 4.08Å; L53-I56 HydrophobicContact CG-CG1 4.42Å; I56-Y64 WeakPolarHBondContact CA-O 3.47Å; I56-L65 HydrophobicContact CD1-CD2 3.89Å; I56-L65 HydrophobicContact CG1-CD2 3.81Å; I56-L65 HydrophobicContact CG2-CD2 4.11Å
57Y91.4Very high91.7Very high134 Ų13453 Ų5353%0.52527%0.267SS..EExtended strand (participates in β ladder)trans-113.8154.2169.5-65.9-93.9000110.8D55 Y64 I66D55-Y57 HydrophobicContact CB-CE2 4.11Å; D55-Y57 PolarHBondContact OD2-OH 3.26Å; Y57-Y64 PolarHBondContact N-O 3.08Å; Y57-Y64 PolarHBondContact O-N 3.3Å; Y57-I66 HydrophobicContact CD2-CD1 3.86Å; Y57-I66 HydrophobicContact CD2-CG1 3.6Å; Y57-I66 HydrophobicContact CE2-CD1 4.31Å; Y57-I66 HydrophobicContact CE2-CG1 3.78Å
58E90.4Very high91.6Very high136 Ų13653.1 Ų53.164%0.63627%0.268SS*.EExtended strand (participates in β ladder)trans-135.8127.9-175.6179.6168-167.300109.8K25 L63K25-E58 WeakPolarHBondContact CE-OE1 3.35Å; K25-E58 VanDerWaalsContact NZ-CG 3.29Å; K25-E58 IonicContact NZ-OE1 3.56Å; K25-E58 PolarHBondContact NZ-OE1 2.79Å; E58-L63 HydrophobicContact CB-CD2 3.79Å; E58-L63 HydrophobicContact CG-CD2 3.64Å
59S91.8Very high91.4Very high26 Ų2649.7 Ų49.718%0.18225%0.253CS..  trans-104.9175.5167.471.80000109.6K25 D61 H62K25-S59 VanDerWaalsContact CE-O 3.26Å; K25-S59 WeakPolarHBondContact CE-O 3.38Å; K25-S59 PolarHBondContact NZ-O 2.79Å; S59-D61 PolarHBondContact O-N 3.05Å; S59-D61 VanDerWaalsContact O-N 3.12Å; S59-D61 PolarHBondContact OG-N 3.3Å; S59-D61 PolarHBondContact OG-OD1 3.49Å; S59-H62 PolarHBondContact N-O 3.48Å; S59-H62 WeakPolarHBondContact OG-CB 3.21Å; S59-H62 PolarHBondContact OG-N 3.34Å; S59-H62 PolarHBondContact OG-O 3.07Å
60P90.9Very high91.3Very high131 Ų13150.7 Ų50.785%0.85126%0.26SS*.SBendtrans-57-24.7173.1-27.837.5000114.4
61D90.3Very high91.2Very high80 Ų8054.1 Ų54.143%0.42828%0.284SS..SBendtrans-124.4-12.3-170.267.6-20.9000115.7K25 S59K25-D61 WeakPolarHBondContact CB-O 3.49Å; K25-D61 PolarHBondContact N-O 3.19Å; S59-D61 PolarHBondContact O-N 3.05Å; S59-D61 VanDerWaalsContact O-N 3.12Å; S59-D61 PolarHBondContact OG-N 3.3Å; S59-D61 PolarHBondContact OG-OD1 3.49Å
62H89.8Confident91Very high49 Ų4954 Ų5423%0.22729%0.285CS..EExtended strand (participates in β ladder)trans-137155.6-178.7-65.285.6000112.9I23 S59 Y64I23-H62 CarbonylContact O-C 3.57Å; I23-H62 WeakPolarHBondContact O-CA 3.44Å; S59-H62 PolarHBondContact N-O 3.48Å; S59-H62 WeakPolarHBondContact OG-CB 3.21Å; S59-H62 PolarHBondContact OG-N 3.34Å; S59-H62 PolarHBondContact OG-O 3.07Å; H62-Y64 HydrophobicContact CB-CD2 4.42Å; H62-Y64 HydrophobicContact CB-CE1 4.24Å; H62-Y64 HydrophobicContact CB-CE2 3.7Å
63L88.1Confident90.9Very high10 Ų1054.4 Ų54.45%0.05229%0.291CS..EExtended strand (participates in β ladder)trans-108.5143.1158.7-68.7173.2000108.9I23 K25 L28 I35 I39 E58I23-L63 HydrophobicContact CB-CB 4.49Å; I23-L63 PolarHBondContact N-O 3.49Å; I23-L63 PolarHBondContact O-N 2.83Å; K25-L63 HydrophobicContact CG-CG 4.45Å; L28-L63 HydrophobicContact CD1-CD1 3.62Å; L28-L63 HydrophobicContact CD1-CG 4.45Å; I35-L63 HydrophobicContact CD1-CD1 4Å; I35-L63 HydrophobicContact CG2-CD1 4.29Å; I39-L63 HydrophobicContact CD1-CD1 4.19Å; E58-L63 HydrophobicContact CB-CD2 3.79Å; E58-L63 HydrophobicContact CG-CD2 3.64Å
64Y90.9Very high90.7Very high72 Ų7256.8 Ų56.828%0.28230%0.302SS..EExtended strand (participates in β ladder)trans-124.3108.3-179.7-56.7-87.3000108.6V20 K21 C22 I56 Y57 H62V20-Y64 HydrophobicContact CG1-CD1 4.15Å; K21-Y64 WeakPolarHBondContact O-CA 3.38Å; C22-Y64 HydrophobicContact CB-CD1 4.26Å; C22-Y64 HydrophobicContact CB-CE1 4.3Å; I56-Y64 WeakPolarHBondContact CA-O 3.47Å; Y57-Y64 PolarHBondContact N-O 3.08Å; Y57-Y64 PolarHBondContact O-N 3.3Å; H62-Y64 HydrophobicContact CB-CD2 4.42Å; H62-Y64 HydrophobicContact CB-CE1 4.24Å; H62-Y64 HydrophobicContact CB-CE2 3.7Å
65L89.9Confident90.5Very high6 Ų652.5 Ų52.53%0.03128%0.282CS..EExtended strand (participates in β ladder)trans-88114.5174.2-50.2-176.7000108.2V20 K21 I23 L53 I56 M67V20-L65 WeakPolarHBondContact CA-O 3.49Å; K21-L65 HydrophobicContact CB-CB 4.23Å; K21-L65 HydrophobicContact CD-CD1 4.45Å; K21-L65 PolarHBondContact N-O 2.93Å; K21-L65 PolarHBondContact O-N 3.06Å; I23-L65 HydrophobicContact CD1-CD1 3.9Å; I23-L65 HydrophobicContact CD1-CG 4.21Å; L53-L65 HydrophobicContact CD1-CB 3.8Å; L53-L65 HydrophobicContact CD1-CD2 4.48Å; I56-L65 HydrophobicContact CD1-CD2 3.89Å; I56-L65 HydrophobicContact CG1-CD2 3.81Å; I56-L65 HydrophobicContact CG2-CD2 4.11Å; L65-M67 HydrophobicContact CB-CG 4.35Å; L65-M67 PolarHBondContact O-N 2.96Å
66I93Very high90.3Very high24 Ų2450.4 Ų50.412%0.12327%0.27CS..EExtended strand (participates in β ladder)trans-86.1108.7176.9-46.4-56.3000107.5F18 V20 E54 D55 Y57F18-I66 HydrophobicContact CB-CG2 3.87Å; F18-I66 HydrophobicContact CD1-CG2 3.76Å; F18-I66 HydrophobicContact CD2-CG2 4.37Å; F18-I66 HydrophobicContact CE1-CG2 4.36Å; F18-I66 HydrophobicContact CG-CG2 3.75Å; V20-I66 HydrophobicContact CB-CD1 4.36Å; V20-I66 HydrophobicContact CG1-CD1 3.9Å; V20-I66 HydrophobicContact CG2-CD1 3.61Å; E54-I66 HydrophobicContact CB-CG2 4.43Å; E54-I66 PolarHBondContact N-O 2.93Å; D55-I66 HydrophobicContact CB-CB 4.28Å; D55-I66 HydrophobicContact CB-CG1 4.22Å; D55-I66 PolarHBondContact N-O 3.23Å; D55-I66 WeakPolarHBondContact O-CB 3.47Å; D55-I66 PolarHBondContact O-N 3.25Å; Y57-I66 HydrophobicContact CD2-CD1 3.86Å; Y57-I66 HydrophobicContact CD2-CG1 3.6Å; Y57-I66 HydrophobicContact CE2-CD1 4.31Å; Y57-I66 HydrophobicContact CE2-CG1 3.78Å
67M92.3Very high90.2Very high35 Ų3552.3 Ų52.317%0.17228%0.28CS..EExtended strand (participates in β ladder)trans-110.9151.1-174.6-52.2-179.9-56.500110.6V6 A19 K21 V51 A52 L53 L65 L69V6-M67 HydrophobicContact CG1-CE 4.27Å; A19-M67 HydrophobicContact CB-CB 4.48Å; A19-M67 HydrophobicContact CB-CE 4.16Å; A19-M67 PolarHBondContact N-O 3.36Å; A19-M67 WeakPolarHBondContact O-CA 3.18Å; A19-M67 VanDerWaalsContact O-CB 3.32Å; A19-M67 WeakPolarHBondContact O-CB 3.12Å; A19-M67 PolarHBondContact O-N 3.34Å; K21-M67 HydrophobicContact CB-CE 3.87Å; K21-M67 HydrophobicContact CB-SD 4.24Å; V51-M67 HydrophobicContact CG1-CB 3.91Å; A52-M67 WeakPolarHBondContact O-CA 3.18Å; L53-M67 HydrophobicContact CD1-CG 4.43Å; L65-M67 HydrophobicContact CB-CG 4.35Å; L65-M67 PolarHBondContact O-N 2.96Å; M67-L69 PolarHBondContact O-N 3.44Å
68Q92.8Very high90Very high47 Ų4747.2 Ų47.222%0.2226%0.26CS..EExtended strand (participates in β ladder)trans-51.2127.2168.1-179.9-179.631.500110.2V51 A52 V70V51-Q68 HydrophobicContact CG1-CB 4.24Å; A52-Q68 HydrophobicContact CB-CB 4.13Å; A52-Q68 PolarHBondContact O-N 3.36Å; Q68-V70 PolarHBondContact O-N 3.04Å
69L93.3Very high89.9Confident56 Ų5640.8 Ų40.829%0.29323%0.23SC..  trans-69.7130.1174.4-178.262.4000110.1L8 M17 A19 M67L8-L69 HydrophobicContact CD1-CD1 3.75Å; L8-L69 HydrophobicContact CD1-CD2 3.65Å; L8-L69 HydrophobicContact CD1-CG 4.36Å; M17-L69 HydrophobicContact CB-CD2 3.68Å; A19-L69 HydrophobicContact CB-CD1 4.24Å; M67-L69 PolarHBondContact O-N 3.44Å
70V93.1Very high89.8Confident25 Ų2540.7 Ų40.715%0.15223%0.228CC..  trans-117.3127.7173.8171.50000107.9V51 Q68 L120 Y121 F122 M131V51-V70 HydrophobicContact CG2-CG2 3.78Å; Q68-V70 PolarHBondContact O-N 3.04Å; V70-L120 HydrophobicContact CG1-CB 3.56Å; V70-L120 HydrophobicContact CG1-CD1 4.34Å; V70-Y121 WeakPolarHBondContact CG1-O 3.37Å; V70-F122 HydrophobicContact CG2-CD2 4.45Å; V70-M131 HydrophobicContact CG1-CG 4.41Å; V70-M131 HydrophobicContact CG2-CB 4.23Å; V70-M131 HydrophobicContact CG2-CG 4.06Å
71S92.3Very high89.6Confident75 Ų7541 Ų4152%0.52422%0.218SC..  trans-130.51.9-164.5620000115.4G73 F122S71-G73 VanDerWaalsContact C-N 3.3Å; S71-G73 PolarHBondContact O-N 3.12Å; S71-F122 PolarHBondContact N-O 3.3Å
72G89.3Confident89.2Confident6 Ų639.3 Ų39.36%0.06221%0.207CC..SBendtrans-810177.900000115.7R78 Y121 N123G72-R78 VanDerWaalsContact O-CD 3.31Å; G72-R78 WeakPolarHBondContact O-CD 3.37Å; G72-R78 VanDerWaalsContact O-CG 3.3Å; G72-R78 WeakPolarHBondContact O-CG 3.44Å; G72-Y121 WeakPolarHBondContact CA-O 3.26Å; G72-Y121 PolarHBondContact N-O 3.21Å; G72-N123 VanDerWaalsContact CA-O 3.26Å; G72-N123 WeakPolarHBondContact CA-O 3.37Å
73G87.6Confident89Confident39 Ų3940.1 Ų40.140%0.40223%0.229SC..  trans82.4-177.2177.100000114.9S71 L120 Y121S71-G73 VanDerWaalsContact C-N 3.3Å; S71-G73 PolarHBondContact O-N 3.12Å; G73-L120 WeakPolarHBondContact O-CA 3.29Å; G73-Y121 PolarHBondContact O-N 3.07Å
74E86.9Confident89.2Confident75 Ų7545.3 Ų45.335%0.3525%0.252SS..BIsolated β-bridgetrans-71.8146.7-179-70.3176.9-150.200112.2F76 D77 R78 L120 K275E74-F76 PolarHBondContact O-N 3.03Å; E74-D77 HydrophobicContact CB-CB 4.48Å; E74-D77 PolarHBondContact O-N 3.19Å; E74-R78 PolarHBondContact O-N 3.06Å; E74-L120 HydrophobicContact CG-CD2 4.06Å; E74-K275 IonicContact OE2-NZ 3.26Å
75L87.6Confident89.4Confident0 Ų041.9 Ų41.90%024%0.238CC..Hα-helixtrans-44-54.7177.6171.855.1000114.2I79 L93 P116 L119 Y121 I130 I179 L183L75-I79 HydrophobicContact CD1-CD1 3.94Å; L75-I79 HydrophobicContact CG-CD1 4.48Å; L75-I79 PolarHBondContact O-N 3Å; L75-L93 HydrophobicContact CD1-CD1 3.3Å; L75-L93 HydrophobicContact CD1-CD2 4.08Å; L75-L93 HydrophobicContact CD1-CG 4.29Å; L75-P116 HydrophobicContact CD2-CB 4.31Å; L75-L119 HydrophobicContact CB-CB 4.15Å; L75-L119 WeakPolarHBondContact CB-O 3.46Å; L75-L119 HydrophobicContact CD2-CB 3.96Å; L75-L119 HydrophobicContact CD2-CD1 3.7Å; L75-L119 HydrophobicContact CD2-CG 4.46Å; L75-L119 PolarHBondContact N-O 3.09Å; L75-L119 VanDerWaalsContact N-O 3.1Å; L75-Y121 HydrophobicContact CD1-CE2 4.11Å; L75-I130 HydrophobicContact CD1-CD1 4.24Å; L75-I179 HydrophobicContact CD2-CG2 4.34Å; L75-L183 HydrophobicContact CD1-CD2 4.02Å; L75-L183 HydrophobicContact CD2-CD2 4.18Å; L75-L183 HydrophobicContact CG-CD2 4.25Å
76F86.3Confident89.6Confident10 Ų1041.9 Ų41.94%0.04424%0.239CC..Hα-helixtrans-79.9-32-172-70.3-37.2000114E74 R78 I79 V80 P116 I182 L183 I267 F271E74-F76 PolarHBondContact O-N 3.03Å; F76-R78 VanDerWaalsContact C-N 3.29Å; F76-R78 PolarHBondContact O-N 3.01Å; F76-I79 HydrophobicContact CD1-CD1 4.29Å; F76-I79 PolarHBondContact O-N 2.84Å; F76-V80 WeakPolarHBondContact O-CB 3.48Å; F76-V80 VanDerWaalsContact O-CG2 3.3Å; F76-V80 WeakPolarHBondContact O-CG2 3.49Å; F76-V80 PolarHBondContact O-N 3.45Å; F76-P116 HydrophobicContact CD2-CB 3.69Å; F76-P116 HydrophobicContact CD2-CG 4.28Å; F76-P116 HydrophobicContact CE2-CB 3.16Å; F76-P116 HydrophobicContact CE2-CG 3.27Å; F76-P116 HydrophobicContact CZ-CB 3.67Å; F76-P116 HydrophobicContact CZ-CG 3.49Å; F76-P116 VanDerWaalsContact CZ-CG 3.49Å; F76-I182 HydrophobicContact CE1-CB 4.44Å; F76-I182 HydrophobicContact CE1-CG2 3.75Å; F76-I182 HydrophobicContact CE2-CG2 3.93Å; F76-I182 HydrophobicContact CZ-CB 3.9Å; F76-I182 HydrophobicContact CZ-CG2 3.27Å; F76-L183 HydrophobicContact CD1-CD2 4.43Å; F76-L183 HydrophobicContact CE1-CD2 3.89Å; F76-L183 HydrophobicContact CE1-CG 4.4Å; F76-I267 HydrophobicContact CB-CG2 3.8Å; F76-I267 HydrophobicContact CD1-CD1 3.82Å; F76-I267 HydrophobicContact CE1-CD1 4.44Å; F76-I267 HydrophobicContact CG-CD1 4.39Å; F76-I267 HydrophobicContact CG-CG2 4.24Å; F76-F271 HydrophobicContact CD2-CD1 4Å; F76-F271 HydrophobicContact CD2-CD2 4.21Å; F76-F271 AromaticContact CD2-CE1 3.57Å; F76-F271 HydrophobicContact CD2-CE1 3.57Å; F76-F271 AromaticContact CD2-CE2 3.81Å; F76-F271 HydrophobicContact CD2-CE2 3.81Å; F76-F271 HydrophobicContact CD2-CG 4.32Å; F76-F271 AromaticContact CD2-CZ 3.49Å; F76-F271 HydrophobicContact CD2-CZ 3.49Å; F76-F271 VanDerWaalsContact CD2-CZ 3.49Å; F76-F271 HydrophobicContact CE2-CD1 4.39Å; F76-F271 AromaticContact CE2-CE1 3.52Å; F76-F271 HydrophobicContact CE2-CE1 3.52Å; F76-F271 AromaticContact CE2-CE2 3.71Å; F76-F271 HydrophobicContact CE2-CE2 3.71Å; F76-F271 AromaticContact CE2-CZ 3.13Å; F76-F271 HydrophobicContact CE2-CZ 3.13Å; F76-F271 HydrophobicContact CZ-CE2 4.44Å; F76-F271 HydrophobicContact CZ-CZ 4.07Å
77D86.5Confident89.7Confident62 Ų6240.8 Ų40.833%0.33223%0.233SC..Hα-helixtrans-62.5-41.7175.7-70.4-18.9000109E74 I79 V80 E81 K275E74-D77 HydrophobicContact CB-CB 4.48Å; E74-D77 PolarHBondContact O-N 3.19Å; D77-I79 PolarHBondContact O-N 3.33Å; D77-V80 WeakPolarHBondContact O-CB 3.03Å; D77-V80 PolarHBondContact O-N 3.16Å; D77-V80 VanDerWaalsContact O-N 3.16Å; D77-E81 WeakPolarHBondContact O-CG 3.36Å; D77-E81 PolarHBondContact O-N 3.45Å; D77-K275 IonicContact OD1-NZ 3.93Å; D77-K275 PolarHBondContact OD1-NZ 3.44Å; D77-K275 IonicContact OD2-NZ 2.65Å; D77-K275 PolarHBondContact OD2-NZ 3.3Å
78R87.4Confident89.9Confident28 Ų2841.8 Ų41.811%0.10624%0.236CC..Hα-helixtrans-63.3-37.5172.8-72.1-73.5-73.9149.6-0.4114.1G72 E74 F76 V80 E81 K82 Y121 P124 Q125 D126G72-R78 VanDerWaalsContact O-CD 3.31Å; G72-R78 WeakPolarHBondContact O-CD 3.37Å; G72-R78 VanDerWaalsContact O-CG 3.3Å; G72-R78 WeakPolarHBondContact O-CG 3.44Å; E74-R78 PolarHBondContact O-N 3.06Å; F76-R78 VanDerWaalsContact C-N 3.29Å; F76-R78 PolarHBondContact O-N 3.01Å; R78-V80 VanDerWaalsContact C-N 3.3Å; R78-E81 PolarHBondContact O-N 3.26Å; R78-K82 WeakPolarHBondContact O-CG 3.45Å; R78-K82 PolarHBondContact O-N 3.28Å; R78-Y121 HydrophobicContact CB-CD2 3.78Å; R78-Y121 HydrophobicContact CB-CE2 3.59Å; R78-Y121 HydrophobicContact CG-CD2 3.6Å; R78-Y121 HydrophobicContact CG-CE2 3.99Å; R78-Y121 HydrophobicContact CG-CG 4.31Å; R78-P124 PolarHBondContact NH2-O 2.99Å; R78-P124 VanDerWaalsContact NH2-O 3.16Å; R78-Q125 PolarHBondContact NH2-O 3.07Å; R78-D126 IonicContact CZ-OD1 3.39Å; R78-D126 IonicContact NH1-OD1 3.68Å; R78-D126 IonicContact NH2-OD1 3.56Å; R78-D126 PolarHBondContact NH2-OD1 2.92Å
79I88.4Confident90Very high0 Ų041.8 Ų41.80%024%0.238CC..Hα-helixtrans-67.8-33.3174.7-69.1170.3000111.2L75 F76 D77 Y85 L183 H260 V263 I267L75-I79 HydrophobicContact CD1-CD1 3.94Å; L75-I79 HydrophobicContact CG-CD1 4.48Å; L75-I79 PolarHBondContact O-N 3Å; F76-I79 HydrophobicContact CD1-CD1 4.29Å; F76-I79 PolarHBondContact O-N 2.84Å; D77-I79 PolarHBondContact O-N 3.33Å; I79-Y85 HydrophobicContact CD1-CE2 3.86Å; I79-Y85 HydrophobicContact CG1-CD2 4.26Å; I79-Y85 HydrophobicContact CG1-CE2 3.86Å; I79-Y85 HydrophobicContact CG2-CD1 4.32Å; I79-Y85 HydrophobicContact CG2-CD2 4.3Å; I79-Y85 HydrophobicContact CG2-CE1 4.39Å; I79-Y85 HydrophobicContact CG2-CE2 4.35Å; I79-Y85 HydrophobicContact CG2-CG 4.27Å; I79-L183 HydrophobicContact CD1-CD2 3.26Å; I79-H260 PolarHBondContact O-CD2 3.3Å; I79-H260 PolarHBondContact O-NE2 3.21Å; I79-V263 HydrophobicContact CG2-CG1 4.21Å; I79-I267 HydrophobicContact CB-CD1 4.33Å; I79-I267 HydrophobicContact CG2-CD1 3.79Å
80V88.7Confident90.1Very high24 Ų2439.1 Ų39.115%0.14522%0.224CC..Hα-helixtrans-74.8-25.3178165.10000113.1F76 D77 R78 I267 R268F76-V80 WeakPolarHBondContact O-CB 3.48Å; F76-V80 VanDerWaalsContact O-CG2 3.3Å; F76-V80 WeakPolarHBondContact O-CG2 3.49Å; F76-V80 PolarHBondContact O-N 3.45Å; D77-V80 WeakPolarHBondContact O-CB 3.03Å; D77-V80 PolarHBondContact O-N 3.16Å; D77-V80 VanDerWaalsContact O-N 3.16Å; R78-V80 VanDerWaalsContact C-N 3.3Å; V80-I267 HydrophobicContact CG2-CB 3.79Å; V80-I267 HydrophobicContact CG2-CG2 3.4Å; V80-I267 VanDerWaalsContact CG2-CG2 3.4Å; V80-R268 HydrophobicContact CG1-CG 3.67Å; V80-R268 VanDerWaalsContact CG1-NE 3.29Å; V80-R268 HydrophobicContact CG2-CG 4.14Å; V80-R268 PolarHBondContact O-NH2 2.84Å
81E87.9Confident90.3Very high137 Ų13738 Ų3864%0.6422%0.217SC*.Hα-helixtrans-86.4-21.2176.3-73.1173.717300114D77 R78D77-E81 WeakPolarHBondContact O-CG 3.36Å; D77-E81 PolarHBondContact O-N 3.45Å; R78-E81 PolarHBondContact O-N 3.26Å
82K81.1Confident90.5Very high45 Ų4536.6 Ų36.620%0.19621%0.205CC..  trans-59.7158.2175.3-84-176.1172-162.50111.3R78 Y85 D89 H260R78-K82 WeakPolarHBondContact O-CG 3.45Å; R78-K82 PolarHBondContact O-N 3.28Å; K82-Y85 HydrophobicContact CD-CD2 4.32Å; K82-D89 IonicContact NZ-OD1 2.93Å; K82-D89 PolarHBondContact NZ-OD1 3.07Å; K82-H260 PolarHBondContact O-CE1 3.39Å; K82-H260 PolarHBondContact O-NE2 3Å
83G86.3Confident90.9Very high67 Ų6736.6 Ų36.669%0.69120%0.204SC*.SBendtrans-96.3-18.2166.900000113.4H260G83-H260 PolarHBondContact O-ND1 3.31Å
84F91.4Very high91.4Very high118 Ų11834.8 Ų34.852%0.51819%0.185SC..  trans-148.6135.7-169.7-175.5-88.4000109.1T86 N258F84-T86 HydrophobicContact CD1-CG2 4.09Å; F84-T86 HydrophobicContact CE1-CG2 3.3Å; F84-T86 HydrophobicContact CZ-CG2 3.65Å; F84-N258 HydrophobicContact CD2-CB 3.87Å; F84-N258 HydrophobicContact CE2-CB 3.63Å; F84-N258 HydrophobicContact CZ-CB 4.32Å
85Y94.6Very high91.9Very high1 Ų135 Ų350%0.00418%0.183CC..  trans-161.5136.3-175.7-178.6-99.9000109.9I79 K82 D89 A90 L183 N258 I259 H260 V263I79-Y85 HydrophobicContact CD1-CE2 3.86Å; I79-Y85 HydrophobicContact CG1-CD2 4.26Å; I79-Y85 HydrophobicContact CG1-CE2 3.86Å; I79-Y85 HydrophobicContact CG2-CD1 4.32Å; I79-Y85 HydrophobicContact CG2-CD2 4.3Å; I79-Y85 HydrophobicContact CG2-CE1 4.39Å; I79-Y85 HydrophobicContact CG2-CE2 4.35Å; I79-Y85 HydrophobicContact CG2-CG 4.27Å; K82-Y85 HydrophobicContact CD-CD2 4.32Å; Y85-D89 HydrophobicContact CD2-CB 3.72Å; Y85-D89 HydrophobicContact CE2-CB 3.6Å; Y85-A90 WeakPolarHBondContact OH-CB 3.21Å; Y85-L183 VanDerWaalsContact CE1-O 3.28Å; Y85-L183 WeakPolarHBondContact CE1-O 3.33Å; Y85-L183 PolarHBondContact OH-O 2.81Å; Y85-N258 PolarHBondContact N-OD1 3.05Å; Y85-N258 VanDerWaalsContact N-OD1 3.12Å; Y85-N258 WeakPolarHBondContact O-CA 3.22Å; Y85-N258 PolarHBondContact O-OD1 3.34Å; Y85-I259 HydrophobicContact CD1-CD1 4.32Å; Y85-I259 HydrophobicContact CD1-CG1 4.02Å; Y85-I259 HydrophobicContact CE1-CD1 4.31Å; Y85-I259 HydrophobicContact CE1-CG1 4.5Å; Y85-I259 WeakPolarHBondContact O-CG1 3.44Å; Y85-I259 PolarHBondContact O-N 2.96Å; Y85-H260 PolarHBondContact O-N 2.96Å; Y85-V263 HydrophobicContact CE1-CG1 4.37Å
86T95.5Very high92.4Very high6 Ų636.8 Ų36.84%0.03719%0.191CC..  trans-132.9170.4-169.167.50000112.1F84 K88 D89 A90 K257F84-T86 HydrophobicContact CD1-CG2 4.09Å; F84-T86 HydrophobicContact CE1-CG2 3.3Å; F84-T86 HydrophobicContact CZ-CG2 3.65Å; T86-K88 PolarHBondContact O-N 2.85Å; T86-K88 PolarHBondContact OG1-N 2.96Å; T86-D89 WeakPolarHBondContact CB-OD2 3.37Å; T86-D89 PolarHBondContact N-OD2 2.75Å; T86-D89 WeakPolarHBondContact O-CB 3.33Å; T86-D89 PolarHBondContact O-N 2.83Å; T86-D89 PolarHBondContact OG1-N 2.93Å; T86-D89 VanDerWaalsContact OG1-N 3.15Å; T86-D89 PolarHBondContact OG1-OD2 2.92Å; T86-A90 PolarHBondContact O-N 3.43Å; T86-K257 WeakPolarHBondContact CA-O 3.34Å; T86-K257 WeakPolarHBondContact CG2-O 3.44Å
87E95.1Very high93Very high0 Ų036.4 Ų36.40%019%0.189CC..Hα-helixtrans-63.7-31.1168.9-57-177.4-15900112.2D89 A90 S91 L184 I217 S218 W248 A254 L255 I259E87-D89 VanDerWaalsContact C-N 3.29Å; E87-D89 PolarHBondContact O-N 2.9Å; E87-A90 WeakPolarHBondContact O-CB 3.37Å; E87-A90 PolarHBondContact O-N 2.78Å; E87-S91 VanDerWaalsContact O-CB 3.3Å; E87-S91 WeakPolarHBondContact O-CB 3.46Å; E87-S91 PolarHBondContact O-N 3.49Å; E87-L184 HydrophobicContact CB-CD2 4.2Å; E87-L184 HydrophobicContact CG-CD2 3.93Å; E87-I217 HydrophobicContact CG-CD1 4.43Å; E87-I217 WeakPolarHBondContact OE1-CA 3.21Å; E87-S218 PolarHBondContact OE1-N 3.37Å; E87-S218 PolarHBondContact OE1-OG 3.16Å; E87-S218 WeakPolarHBondContact OE2-CB 3.49Å; E87-S218 PolarHBondContact OE2-OG 3.42Å; E87-W248 PolarHBondContact OE2-NE1 3.49Å; E87-A254 HydrophobicContact CB-CB 4.19Å; E87-L255 WeakPolarHBondContact CB-O 3.37Å; E87-L255 HydrophobicContact CG-CB 4.19Å; E87-L255 PolarHBondContact N-O 2.93Å; E87-L255 VanDerWaalsContact N-O 3.14Å; E87-L255 WeakPolarHBondContact OE1-CD1 3.49Å; E87-L255 WeakPolarHBondContact OE1-CG 3.44Å; E87-L255 PolarHBondContact OE2-N 3.06Å; E87-I259 HydrophobicContact CG-CD1 4.44Å
88K95.3Very high93.6Very high56 Ų5633.4 Ų33.424%0.24317%0.173CC..Hα-helixtrans-67-31.5178.2-163.672.8173.7-166.10111.6T86 T92 G251 D252 A254 L255T86-K88 PolarHBondContact O-N 2.85Å; T86-K88 PolarHBondContact OG1-N 2.96Å; K88-T92 WeakPolarHBondContact O-CB 3.22Å; K88-T92 PolarHBondContact O-N 3.15Å; K88-T92 PolarHBondContact O-OG1 2.96Å; K88-G251 PolarHBondContact NZ-O 3.5Å; K88-G251 VanDerWaalsContact NZ-O 3.16Å; K88-D252 IonicContact NZ-OD1 2.68Å; K88-D252 PolarHBondContact NZ-OD1 3.19Å; K88-A254 HydrophobicContact CD-CB 4.09Å; K88-L255 PolarHBondContact N-O 2.81Å
89D95.2Very high94.1Very high48 Ų4835 Ų3526%0.25718%0.184SC..Hα-helixtrans-63.7-50.5167.9-65.7-83.8000110.7K82 Y85 T86 E87 S91 T92 L93K82-D89 IonicContact NZ-OD1 2.93Å; K82-D89 PolarHBondContact NZ-OD1 3.07Å; Y85-D89 HydrophobicContact CD2-CB 3.72Å; Y85-D89 HydrophobicContact CE2-CB 3.6Å; T86-D89 WeakPolarHBondContact CB-OD2 3.37Å; T86-D89 PolarHBondContact N-OD2 2.75Å; T86-D89 WeakPolarHBondContact O-CB 3.33Å; T86-D89 PolarHBondContact O-N 2.83Å; T86-D89 PolarHBondContact OG1-N 2.93Å; T86-D89 VanDerWaalsContact OG1-N 3.15Å; T86-D89 PolarHBondContact OG1-OD2 2.92Å; E87-D89 VanDerWaalsContact C-N 3.29Å; E87-D89 PolarHBondContact O-N 2.9Å; D89-S91 PolarHBondContact O-N 2.82Å; D89-T92 PolarHBondContact O-N 3.45Å; D89-L93 WeakPolarHBondContact O-CB 3.32Å; D89-L93 PolarHBondContact O-N 2.8Å
90A96.1Very high94.5Very high0 Ų035 Ų350%018%0.184CC..Hα-helixtrans-59.2-47.2179.200000112.3Y85 T86 E87 L93 I94 L183 L184 W248Y85-A90 WeakPolarHBondContact OH-CB 3.21Å; T86-A90 PolarHBondContact O-N 3.43Å; E87-A90 WeakPolarHBondContact O-CB 3.37Å; E87-A90 PolarHBondContact O-N 2.78Å; A90-L93 WeakPolarHBondContact O-CB 3.1Å; A90-L93 PolarHBondContact O-N 3.42Å; A90-I94 WeakPolarHBondContact O-CG1 3.37Å; A90-I94 PolarHBondContact O-N 3.03Å; A90-L183 HydrophobicContact CB-CB 4.23Å; A90-L184 HydrophobicContact CB-CD2 3.73Å; A90-L184 HydrophobicContact CB-CG 4.5Å; A90-W248 HydrophobicContact CB-CH2 4.12Å; A90-W248 HydrophobicContact CB-CZ2 4.17Å
91S97.6Very high94.9Very high0 Ų033.8 Ų33.80%018%0.177CC..Hα-helixtrans-60.3-44.6176163.60000111.9E87 D89 L93 I94 R95 W248E87-S91 VanDerWaalsContact O-CB 3.3Å; E87-S91 WeakPolarHBondContact O-CB 3.46Å; E87-S91 PolarHBondContact O-N 3.49Å; D89-S91 PolarHBondContact O-N 2.82Å; S91-L93 VanDerWaalsContact C-N 3.27Å; S91-L93 PolarHBondContact O-N 2.93Å; S91-I94 PolarHBondContact O-N 3.31Å; S91-R95 WeakPolarHBondContact O-CB 3.48Å; S91-R95 PolarHBondContact O-N 2.89Å; S91-W248 WeakPolarHBondContact CB-O 3.4Å; S91-W248 PolarHBondContact OG-O 3.24Å
92T96.3Very high95.3Very high47 Ų4728.3 Ų28.329%0.28815%0.152SC..Hα-helixtrans-64.3-31.6177.1-69.60000113K88 D89 R95 Q96K88-T92 WeakPolarHBondContact O-CB 3.22Å; K88-T92 PolarHBondContact O-N 3.15Å; K88-T92 PolarHBondContact O-OG1 2.96Å; D89-T92 PolarHBondContact O-N 3.45Å; T92-R95 PolarHBondContact OG1-NH2 2.89Å; T92-Q96 PolarHBondContact O-NE2 3.2Å
93L96.8Very high96Very high6 Ų629 Ų293%0.03115%0.154CC..Hα-helixtrans-75.2-48.7175.6-162.9158.2000111.3L75 D89 A90 S91 R95 Q96 V97 Y121 I130 L183L75-L93 HydrophobicContact CD1-CD1 3.3Å; L75-L93 HydrophobicContact CD1-CD2 4.08Å; L75-L93 HydrophobicContact CD1-CG 4.29Å; D89-L93 WeakPolarHBondContact O-CB 3.32Å; D89-L93 PolarHBondContact O-N 2.8Å; A90-L93 WeakPolarHBondContact O-CB 3.1Å; A90-L93 PolarHBondContact O-N 3.42Å; S91-L93 VanDerWaalsContact C-N 3.27Å; S91-L93 PolarHBondContact O-N 2.93Å; L93-R95 VanDerWaalsContact C-N 3.27Å; L93-R95 PolarHBondContact O-N 2.95Å; L93-Q96 PolarHBondContact O-N 3.06Å; L93-V97 HydrophobicContact CD2-CG2 4.11Å; L93-V97 PolarHBondContact O-N 3.34Å; L93-V97 VanDerWaalsContact O-N 3.14Å; L93-Y121 WeakPolarHBondContact CD1-OH 3.21Å; L93-I130 HydrophobicContact CD2-CG1 4.27Å; L93-I130 HydrophobicContact CD2-CG2 4.49Å; L93-I130 HydrophobicContact CG-CB 4.43Å; L93-L183 HydrophobicContact CD2-CD1 4.07Å
94I98.3Very high96.3Very high0 Ų025.8 Ų25.80%012%0.121CC..Hα-helixtrans-61.8-35.3177.2-69.5-66.2000111.4A90 S91 Q96 V97 L98 I176 I179 A180 L183 F225 W248 I249A90-I94 WeakPolarHBondContact O-CG1 3.37Å; A90-I94 PolarHBondContact O-N 3.03Å; S91-I94 PolarHBondContact O-N 3.31Å; I94-Q96 PolarHBondContact O-N 3.33Å; I94-V97 PolarHBondContact O-N 2.83Å; I94-L98 HydrophobicContact CG2-CD1 3.88Å; I94-L98 HydrophobicContact CG2-CG 4.11Å; I94-L98 WeakPolarHBondContact O-CB 3.25Å; I94-L98 VanDerWaalsContact O-CG 3.31Å; I94-L98 WeakPolarHBondContact O-CG 3.43Å; I94-L98 PolarHBondContact O-N 3.29Å; I94-I176 HydrophobicContact CD1-CG2 4.15Å; I94-I176 HydrophobicContact CG2-CG2 4.03Å; I94-I179 HydrophobicContact CD1-CG2 4.13Å; I94-A180 HydrophobicContact CD1-CB 3.81Å; I94-A180 HydrophobicContact CG1-CB 3.99Å; I94-L183 HydrophobicContact CD1-CD1 3.77Å; I94-L183 HydrophobicContact CG1-CD1 3.9Å; I94-F225 HydrophobicContact CG2-CE1 3.8Å; I94-F225 HydrophobicContact CG2-CZ 3.58Å; I94-W248 HydrophobicContact CB-CZ3 4.22Å; I94-W248 HydrophobicContact CG1-CH2 4.45Å; I94-W248 HydrophobicContact CG1-CZ3 4.34Å; I94-W248 HydrophobicContact CG2-CZ3 4.31Å; I94-I249 HydrophobicContact CB-CD1 4.14Å; I94-I249 HydrophobicContact CG2-CD1 3.76Å
95R98.4Very high96.4Very high80 Ų8021 Ų2130%0.30210%0.1SC..Hα-helixtrans-55.8-51172.5-173.4169.760.2-106.9-5.8112S91 T92 L93 V97 L98 D99 L244 I249S91-R95 WeakPolarHBondContact O-CB 3.48Å; S91-R95 PolarHBondContact O-N 2.89Å; T92-R95 PolarHBondContact OG1-NH2 2.89Å; L93-R95 VanDerWaalsContact C-N 3.27Å; L93-R95 PolarHBondContact O-N 2.95Å; R95-V97 VanDerWaalsContact C-N 3.32Å; R95-V97 PolarHBondContact O-N 2.88Å; R95-L98 WeakPolarHBondContact O-CB 3.16Å; R95-L98 PolarHBondContact O-N 3.22Å; R95-L98 VanDerWaalsContact O-N 3.16Å; R95-D99 PolarHBondContact O-N 3.36Å; R95-L244 HydrophobicContact CG-CD2 4.11Å; R95-I249 HydrophobicContact CB-CG2 3.93Å; R95-I249 HydrophobicContact CG-CG2 3.89Å; R95-I249 PolarHBondContact NH1-O 2.8Å
96Q98.1Very high96.3Very high38 Ų3827.7 Ų27.718%0.17813%0.129CC..Hα-helixtrans-60.8-38.3177.7-73.2167.976.700113N49 T92 L93 I94 A100 K129 I130N49-Q96 PolarHBondContact ND2-OE1 3.24Å; T92-Q96 PolarHBondContact O-NE2 3.2Å; L93-Q96 PolarHBondContact O-N 3.06Å; I94-Q96 PolarHBondContact O-N 3.33Å; Q96-A100 WeakPolarHBondContact O-CB 3.43Å; Q96-A100 PolarHBondContact O-N 2.82Å; Q96-A100 VanDerWaalsContact O-N 3.15Å; Q96-K129 VanDerWaalsContact OE1-CA 3.31Å; Q96-K129 VanDerWaalsContact OE1-CB 3.3Å; Q96-I130 HydrophobicContact CB-CG2 3.56Å; Q96-I130 HydrophobicContact CG-CG2 4.43Å
97V98.1Very high95.9Very high1 Ų130.3 Ų30.31%0.00614%0.142CC..Hα-helixtrans-67-44.3174.9177.10000110.6L93 I94 R95 A100 V101 L119 I130 I132 I176L93-V97 HydrophobicContact CD2-CG2 4.11Å; L93-V97 PolarHBondContact O-N 3.34Å; L93-V97 VanDerWaalsContact O-N 3.14Å; I94-V97 PolarHBondContact O-N 2.83Å; R95-V97 VanDerWaalsContact C-N 3.32Å; R95-V97 PolarHBondContact O-N 2.88Å; V97-A100 PolarHBondContact O-N 2.93Å; V97-V101 HydrophobicContact CG1-CG2 4.33Å; V97-V101 WeakPolarHBondContact O-CB 3.35Å; V97-V101 VanDerWaalsContact O-CG2 3.25Å; V97-V101 WeakPolarHBondContact O-CG2 3.49Å; V97-V101 PolarHBondContact O-N 3.4Å; V97-L119 HydrophobicContact CG2-CD1 4.03Å; V97-L119 HydrophobicContact CG2-CD2 3.97Å; V97-I130 HydrophobicContact CG2-CG2 4.1Å; V97-I132 HydrophobicContact CG1-CD1 4.21Å; V97-I176 HydrophobicContact CG1-CD1 4.13Å; V97-I176 HydrophobicContact CG1-CG1 3.93Å
98L98.6Very high95.4Very high0 Ų031.2 Ų31.20%015%0.15CC..Hα-helixtrans-61.9-42.5176.1-77.1171000112.4I94 R95 V101 N102 I176 F225 C240 A243 L244 I249I94-L98 HydrophobicContact CG2-CD1 3.88Å; I94-L98 HydrophobicContact CG2-CG 4.11Å; I94-L98 WeakPolarHBondContact O-CB 3.25Å; I94-L98 VanDerWaalsContact O-CG 3.31Å; I94-L98 WeakPolarHBondContact O-CG 3.43Å; I94-L98 PolarHBondContact O-N 3.29Å; R95-L98 WeakPolarHBondContact O-CB 3.16Å; R95-L98 PolarHBondContact O-N 3.22Å; R95-L98 VanDerWaalsContact O-N 3.16Å; L98-V101 PolarHBondContact O-N 3Å; L98-N102 WeakPolarHBondContact O-CB 3.43Å; L98-N102 PolarHBondContact O-N 2.93Å; L98-I176 HydrophobicContact CD2-CD1 3.92Å; L98-I176 HydrophobicContact CD2-CG2 4.14Å; L98-I176 HydrophobicContact CG-CG2 4.35Å; L98-F225 HydrophobicContact CD1-CE2 4.26Å; L98-F225 HydrophobicContact CD1-CZ 4.04Å; L98-C240 HydrophobicContact CD2-CB 4.07Å; L98-A243 HydrophobicContact CD1-CB 3.87Å; L98-A243 HydrophobicContact CD2-CB 3.68Å; L98-A243 HydrophobicContact CG-CB 4.46Å; L98-L244 HydrophobicContact CB-CD1 4.45Å; L98-L244 HydrophobicContact CB-CD2 3.59Å; L98-L244 HydrophobicContact CB-CG 3.82Å; L98-L244 HydrophobicContact CD1-CD2 4.17Å; L98-L244 HydrophobicContact CD1-CG 4.31Å; L98-I249 HydrophobicContact CD1-CD1 4.25Å; L98-I249 HydrophobicContact CD1-CG1 4.1Å; L98-I249 HydrophobicContact CD1-CG2 4.41Å
99D98.3Very high94.9Very high60 Ų6028.6 Ų28.632%0.32114%0.139SC..Hα-helixtrans-62.5-46.5177.8-76.2-44.9000111.2R95 N102 Y103 L244R95-D99 PolarHBondContact O-N 3.36Å; D99-N102 PolarHBondContact O-N 3.3Å; D99-Y103 WeakPolarHBondContact O-CB 3.33Å; D99-Y103 PolarHBondContact O-N 3.38Å; D99-L244 WeakPolarHBondContact OD1-CD1 3.35Å; D99-L244 VanDerWaalsContact OD1-CD2 3.32Å; D99-L244 WeakPolarHBondContact OD1-CD2 3.45Å
100A96.7Very high94.5Very high0 Ų026.3 Ų26.30%013%0.127CC..Hα-helixtrans-60.7-45.9174.600000113.2H47 N49 I50 Q96 V97 Y103 L104 I132H47-A100 VanDerWaalsContact CE1-CA 3.48Å; H47-A100 WeakPolarHBondContact CE1-CA 3.33Å; H47-A100 PolarHBondContact CE1-N 2.75Å; N49-A100 HydrophobicContact CB-CB 4.05Å; I50-A100 HydrophobicContact CD1-CB 4.04Å; I50-A100 HydrophobicContact CG1-CB 3.68Å; Q96-A100 WeakPolarHBondContact O-CB 3.43Å; Q96-A100 PolarHBondContact O-N 2.82Å; Q96-A100 VanDerWaalsContact O-N 3.15Å; V97-A100 PolarHBondContact O-N 2.93Å; A100-Y103 WeakPolarHBondContact O-CB 3.5Å; A100-Y103 PolarHBondContact O-N 2.95Å; A100-L104 WeakPolarHBondContact O-CG 3.37Å; A100-L104 PolarHBondContact O-N 2.68Å; A100-I132 HydrophobicContact CB-CD1 3.54Å; A100-I132 HydrophobicContact CB-CG1 4.17Å
101V96.5Very high94.1Very high0 Ų026.6 Ų26.60%013%0.128CC..Hα-helixtrans-72.1-36-178.7176.10000110.9V97 L98 Y103 L104 H105 L114 I132 D172 I176 C240V97-V101 HydrophobicContact CG1-CG2 4.33Å; V97-V101 WeakPolarHBondContact O-CB 3.35Å; V97-V101 VanDerWaalsContact O-CG2 3.25Å; V97-V101 WeakPolarHBondContact O-CG2 3.49Å; V97-V101 PolarHBondContact O-N 3.4Å; L98-V101 PolarHBondContact O-N 3Å; V101-Y103 VanDerWaalsContact C-N 3.31Å; V101-Y103 PolarHBondContact O-N 2.79Å; V101-L104 PolarHBondContact O-N 3.16Å; V101-H105 VanDerWaalsContact CG1-CE1 3.49Å; V101-H105 WeakPolarHBondContact CG1-CE1 3.41Å; V101-H105 VanDerWaalsContact CG1-NE2 3.31Å; V101-H105 WeakPolarHBondContact CG1-NE2 3.34Å; V101-H105 WeakPolarHBondContact O-CB 3.19Å; V101-H105 PolarHBondContact O-CD2 3.31Å; V101-H105 VanDerWaalsContact O-CD2 3.24Å; V101-H105 PolarHBondContact O-N 3.35Å; V101-L114 HydrophobicContact CG1-CD1 4.44Å; V101-L114 HydrophobicContact CG2-CD1 3.71Å; V101-L114 HydrophobicContact CG2-CD2 4.34Å; V101-I132 HydrophobicContact CG2-CD1 3.64Å; V101-D172 HydrophobicContact CG1-CB 3.77Å; V101-I176 HydrophobicContact CB-CD1 4.11Å; V101-I176 HydrophobicContact CG1-CD1 4.16Å; V101-I176 HydrophobicContact CG2-CD1 4.09Å; V101-C240 VanDerWaalsContact CG1-SG 3.56Å
102N97.4Very high93.4Very high22 Ų2229.7 Ų29.712%0.11814%0.14CC..Hα-helixtrans-60-40.9170.7-170.623.3000111.6L98 D99 H105 K106 C240 L244L98-N102 WeakPolarHBondContact O-CB 3.43Å; L98-N102 PolarHBondContact O-N 2.93Å; D99-N102 PolarHBondContact O-N 3.3Å; N102-H105 PolarHBondContact O-N 2.91Å; N102-K106 PolarHBondContact ND2-NZ 2.64Å; N102-K106 WeakPolarHBondContact O-CB 3.32Å; N102-K106 VanDerWaalsContact O-CG 3.3Å; N102-K106 WeakPolarHBondContact O-CG 2.97Å; N102-K106 PolarHBondContact O-N 2.99Å; N102-K106 WeakPolarHBondContact OD1-CE 3.2Å; N102-C240 HydrophobicContact CB-CB 3.77Å; N102-L244 HydrophobicContact CB-CD1 4.11Å; N102-L244 WeakPolarHBondContact ND2-CD1 3.3Å
103Y95.7Very high92.6Very high59 Ų5929.8 Ų29.823%0.23114%0.139CC..Hα-helixtrans-61.1-48.8173.1172.5-91.5000111.9R44 I45 K46 H47 I50 D99 A100 V101 H105 K106 M107R44-Y103 PolarHBondContact O-OH 3.16Å; I45-Y103 HydrophobicContact CB-CE1 4.46Å; I45-Y103 HydrophobicContact CG2-CE1 4.04Å; K46-Y103 PolarHBondContact N-OH 3.48Å; K46-Y103 PolarHBondContact O-OH 2.97Å; H47-Y103 HydrophobicContact CB-CD1 3.82Å; H47-Y103 HydrophobicContact CB-CE1 4.02Å; H47-Y103 HydrophobicContact CB-CG 4.13Å; H47-Y103 AromaticContact CD2-CG 3.78Å; I50-Y103 HydrophobicContact CD1-CD1 3.93Å; I50-Y103 HydrophobicContact CD1-CE1 4.49Å; D99-Y103 WeakPolarHBondContact O-CB 3.33Å; D99-Y103 PolarHBondContact O-N 3.38Å; A100-Y103 WeakPolarHBondContact O-CB 3.5Å; A100-Y103 PolarHBondContact O-N 2.95Å; V101-Y103 VanDerWaalsContact C-N 3.31Å; V101-Y103 PolarHBondContact O-N 2.79Å; Y103-H105 VanDerWaalsContact C-N 3.34Å; Y103-H105 PolarHBondContact O-N 3.21Å; Y103-K106 PolarHBondContact O-N 2.86Å; Y103-M107 HydrophobicContact CD1-SD 4.22Å; Y103-M107 HydrophobicContact CE1-CG 4.4Å; Y103-M107 HydrophobicContact CE1-SD 3.4Å; Y103-M107 WeakPolarHBondContact CE1-SD 3.42Å; Y103-M107 HydrophobicContact CE2-SD 4.28Å; Y103-M107 PolarHBondContact O-N 3.47Å; Y103-M107 VanDerWaalsContact O-N 3.08Å; Y103-M107 PolarHBondContact OH-SD 2.81Å; Y103-M107 VanDerWaalsContact OH-SD 3.39Å
104L92.3Very high92.2Very high0 Ų029.6 Ų29.60%014%0.138CC..Hα-helixtrans-58.3-44.7174.8-69.1175.6000111.8I45 I50 A100 V101 K106 M107 G108 I109I45-L104 HydrophobicContact CD1-CD2 3.86Å; I45-L104 HydrophobicContact CG1-CD2 4.29Å; I45-L104 HydrophobicContact CG2-CD2 4.26Å; I50-L104 HydrophobicContact CD1-CD1 4.12Å; I50-L104 HydrophobicContact CD1-CD2 3.86Å; I50-L104 HydrophobicContact CD1-CG 3.73Å; A100-L104 WeakPolarHBondContact O-CG 3.37Å; A100-L104 PolarHBondContact O-N 2.68Å; V101-L104 PolarHBondContact O-N 3.16Å; L104-K106 VanDerWaalsContact C-N 3.33Å; L104-K106 PolarHBondContact O-N 2.87Å; L104-M107 CarbonylContact O-C 3.52Å; L104-M107 WeakPolarHBondContact O-CA 3.46Å; L104-M107 WeakPolarHBondContact O-CB 3.05Å; L104-M107 PolarHBondContact O-N 3.02Å; L104-G108 PolarHBondContact O-N 3.01Å; L104-I109 CarbonylContact C-O 3.17Å; L104-I109 HydrophobicContact CB-CB 4.19Å; L104-I109 HydrophobicContact CD2-CB 4.36Å; L104-I109 HydrophobicContact CD2-CD1 3.97Å; L104-I109 HydrophobicContact CD2-CG2 4.28Å; L104-I109 WeakPolarHBondContact O-CB 3.15Å; L104-I109 PolarHBondContact O-N 3.24Å
105H93Very high91.6Very high16 Ų1631.1 Ų31.17%0.07414%0.144CC..Hα-helixtrans-62.7-38.5179.3-72.4-171.8000112.1V101 N102 Y103 M107 G108 I109 K169 D172V101-H105 VanDerWaalsContact CG1-CE1 3.49Å; V101-H105 WeakPolarHBondContact CG1-CE1 3.41Å; V101-H105 VanDerWaalsContact CG1-NE2 3.31Å; V101-H105 WeakPolarHBondContact CG1-NE2 3.34Å; V101-H105 WeakPolarHBondContact O-CB 3.19Å; V101-H105 PolarHBondContact O-CD2 3.31Å; V101-H105 VanDerWaalsContact O-CD2 3.24Å; V101-H105 PolarHBondContact O-N 3.35Å; N102-H105 PolarHBondContact O-N 2.91Å; Y103-H105 VanDerWaalsContact C-N 3.34Å; Y103-H105 PolarHBondContact O-N 3.21Å; H105-M107 VanDerWaalsContact C-N 3.29Å; H105-M107 PolarHBondContact O-N 2.86Å; H105-G108 PolarHBondContact O-N 3.36Å; H105-G108 VanDerWaalsContact O-N 3.07Å; H105-I109 PolarHBondContact CD2-O 3.49Å; H105-K169 HydrophobicContact CB-CD 3.97Å; H105-K169 HydrophobicContact CB-CG 4.17Å; H105-K169 PolarHBondContact CE1-O 3.1Å; H105-K169 WeakPolarHBondContact O-CE 3.3Å; H105-K169 PolarHBondContact O-NZ 2.94Å; H105-D172 IonicContact CD2-OD2 3.2Å; H105-D172 IonicContact CE1-OD2 2.85Å; H105-D172 IonicContact NE2-OD2 2.62Å; H105-D172 PolarHBondContact NE2-OD2 3.33Å
106K92.4Very high90.9Very high143 Ų14327.4 Ų27.462%0.62213%0.131SC*.Hα-helixtrans-66.9-28.1173.1-75.3170.4178.1175.20112.9N102 Y103 L104 G108N102-K106 PolarHBondContact ND2-NZ 2.64Å; N102-K106 WeakPolarHBondContact O-CB 3.32Å; N102-K106 VanDerWaalsContact O-CG 3.3Å; N102-K106 WeakPolarHBondContact O-CG 2.97Å; N102-K106 PolarHBondContact O-N 2.99Å; N102-K106 WeakPolarHBondContact OD1-CE 3.2Å; Y103-K106 PolarHBondContact O-N 2.86Å; L104-K106 VanDerWaalsContact C-N 3.33Å; L104-K106 PolarHBondContact O-N 2.87Å; K106-G108 VanDerWaalsContact C-N 3.28Å
107M87.8Confident90.2Very high61 Ų6127.6 Ų27.630%0.313%0.131SC..THydrogen-bonded Turntrans-81.20.9170.2-66.1-170.67300114.2R44 I45 Y103 L104 H105 I109R44-M107 HydrophobicContact CB-CE 3.94Å; I45-M107 HydrophobicContact CG1-CE 4.21Å; I45-M107 HydrophobicContact CG1-SD 4.01Å; Y103-M107 HydrophobicContact CD1-SD 4.22Å; Y103-M107 HydrophobicContact CE1-CG 4.4Å; Y103-M107 HydrophobicContact CE1-SD 3.4Å; Y103-M107 WeakPolarHBondContact CE1-SD 3.42Å; Y103-M107 HydrophobicContact CE2-SD 4.28Å; Y103-M107 PolarHBondContact O-N 3.47Å; Y103-M107 VanDerWaalsContact O-N 3.08Å; Y103-M107 PolarHBondContact OH-SD 2.81Å; Y103-M107 VanDerWaalsContact OH-SD 3.39Å; L104-M107 CarbonylContact O-C 3.52Å; L104-M107 WeakPolarHBondContact O-CA 3.46Å; L104-M107 WeakPolarHBondContact O-CB 3.05Å; L104-M107 PolarHBondContact O-N 3.02Å; H105-M107 VanDerWaalsContact C-N 3.29Å; H105-M107 PolarHBondContact O-N 2.86Å; M107-I109 VanDerWaalsContact C-N 3.33Å; M107-I109 HydrophobicContact CB-CD1 3.8Å; M107-I109 HydrophobicContact CB-CG1 3.95Å; M107-I109 HydrophobicContact SD-CD1 4.42Å
108G85.4Confident89.7Confident18 Ų1828 Ų2819%0.18613%0.134CC..THydrogen-bonded Turntrans7816.6-177.400000114.3L104 H105 K106 M140 E141L104-G108 PolarHBondContact O-N 3.01Å; H105-G108 PolarHBondContact O-N 3.36Å; H105-G108 VanDerWaalsContact O-N 3.07Å; K106-G108 VanDerWaalsContact C-N 3.28Å; G108-M140 WeakPolarHBondContact O-CA 3.31Å; G108-E141 PolarHBondContact O-N 3.19Å
109I85.1Confident89.4Confident1 Ų128 Ų281%0.00513%0.134CC..BIsolated β-bridgetrans-101.1141.9-177-51172.2000109.1V41 I45 L104 H105 M107 S138V41-I109 HydrophobicContact CG1-CD1 3.39Å; V41-I109 HydrophobicContact CG1-CG1 3.9Å; I45-I109 HydrophobicContact CD1-CD1 3.54Å; I45-I109 HydrophobicContact CG1-CD1 3.87Å; L104-I109 CarbonylContact C-O 3.17Å; L104-I109 HydrophobicContact CB-CB 4.19Å; L104-I109 HydrophobicContact CD2-CB 4.36Å; L104-I109 HydrophobicContact CD2-CD1 3.97Å; L104-I109 HydrophobicContact CD2-CG2 4.28Å; L104-I109 WeakPolarHBondContact O-CB 3.15Å; L104-I109 PolarHBondContact O-N 3.24Å; H105-I109 PolarHBondContact CD2-O 3.49Å; M107-I109 VanDerWaalsContact C-N 3.33Å; M107-I109 HydrophobicContact CB-CD1 3.8Å; M107-I109 HydrophobicContact CB-CG1 3.95Å; M107-I109 HydrophobicContact SD-CD1 4.42Å; I109-S138 WeakPolarHBondContact CG2-OG 3.3Å
110V86.1Confident89.1Confident1 Ų127.1 Ų27.11%0.00613%0.129CC..  trans-124.3124.5173.4-172.80000107.9R112 S138 K169 V171 D172V110-R112 HydrophobicContact CB-CG 4.16Å; V110-R112 HydrophobicContact CG1-CG 3.78Å; V110-R112 WeakPolarHBondContact O-CG 3.1Å; V110-S138 VanDerWaalsContact O-CB 3.32Å; V110-S138 WeakPolarHBondContact O-CB 3.48Å; V110-K169 HydrophobicContact CG2-CG 3.76Å; V110-V171 HydrophobicContact CG1-CG2 3.77Å; V110-D172 WeakPolarHBondContact CG1-OD2 3.47Å
111H86.8Confident88.9Confident6 Ų627.9 Ų27.93%0.02813%0.132CC..  trans-69.8-41.7-172-171.2-71.8000112.4D113 L114 I132 S133 D172H111-D113 PolarHBondContact CE1-O 2.82Å; H111-D113 VanDerWaalsContact CE1-O 3.3Å; H111-D113 VanDerWaalsContact ND1-C 3.28Å; H111-D113 PolarHBondContact ND1-N 2.88Å; H111-D113 PolarHBondContact ND1-O 3.26Å; H111-D113 PolarHBondContact O-N 3.38Å; H111-L114 HydrophobicContact CB-CD1 4.43Å; H111-L114 HydrophobicContact CB-CD2 4.18Å; H111-L114 HydrophobicContact CB-CG 3.9Å; H111-L114 PolarHBondContact ND1-N 3.14Å; H111-I132 WeakPolarHBondContact NE2-CG2 3.21Å; H111-S133 PolarHBondContact NE2-O 3.26Å; H111-D172 PolarHBondContact N-OD1 2.95Å; H111-D172 PolarHBondContact N-OD2 3.07Å
112R83.8Confident88.8Confident65 Ų6530.9 Ų30.925%0.24515%0.145CC..  trans67.2-24.6174.1-53.1166.4-167.5-124.4-6.1116.7V110 K139 Y167 D172V110-R112 HydrophobicContact CB-CG 4.16Å; V110-R112 HydrophobicContact CG1-CG 3.78Å; V110-R112 WeakPolarHBondContact O-CG 3.1Å; R112-K139 PolarHBondContact NH2-O 2.83Å; R112-Y167 HydrophobicContact CG-CE2 4.08Å; R112-Y167 PolarHBondContact NH1-OH 3.24Å; R112-D172 PolarHBondContact N-OD1 3.15Å
113D80.2Confident88.6Confident49 Ų4931.9 Ų31.926%0.26215%0.15SC..  trans-122.344.8177.8-171.739.8000111.3H111 K115 N118H111-D113 PolarHBondContact CE1-O 2.82Å; H111-D113 VanDerWaalsContact CE1-O 3.3Å; H111-D113 VanDerWaalsContact ND1-C 3.28Å; H111-D113 PolarHBondContact ND1-N 2.88Å; H111-D113 PolarHBondContact ND1-O 3.26Å; H111-D113 PolarHBondContact O-N 3.38Å; D113-K115 PolarHBondContact O-N 3.46Å; D113-K115 IonicContact OD1-NZ 3.7Å; D113-K115 PolarHBondContact OD1-NZ 3.27Å; D113-K115 IonicContact OD2-NZ 2.86Å; D113-K115 PolarHBondContact OD2-NZ 2.61Å; D113-N118 PolarHBondContact O-ND2 2.92Å; D113-N118 PolarHBondContact OD2-ND2 2.91Å
114L87.8Confident88.3Confident2 Ų232.7 Ų32.71%0.0116%0.163CC..  trans-71.9121.1171.9-76.2177.5000109.5V101 H111 I132 D172 S175 I176 I179V101-L114 HydrophobicContact CG1-CD1 4.44Å; V101-L114 HydrophobicContact CG2-CD1 3.71Å; V101-L114 HydrophobicContact CG2-CD2 4.34Å; H111-L114 HydrophobicContact CB-CD1 4.43Å; H111-L114 HydrophobicContact CB-CD2 4.18Å; H111-L114 HydrophobicContact CB-CG 3.9Å; H111-L114 PolarHBondContact ND1-N 3.14Å; L114-I132 HydrophobicContact CD2-CD1 4.25Å; L114-I132 HydrophobicContact CD2-CG2 4.07Å; L114-D172 HydrophobicContact CD1-CB 3.68Å; L114-S175 WeakPolarHBondContact O-CB 3.26Å; L114-I176 HydrophobicContact CD1-CD1 4.24Å; L114-I176 HydrophobicContact CD1-CG1 3.93Å; L114-I179 HydrophobicContact CB-CD1 4.5Å
115K85.7Confident88.2Confident31 Ų3138 Ų3814%0.13519%0.187CC..  trans-156.9159.6178.863.9-174.4177.3-132.20109.5D113 E117 N118 Y156D113-K115 PolarHBondContact O-N 3.46Å; D113-K115 IonicContact OD1-NZ 3.7Å; D113-K115 PolarHBondContact OD1-NZ 3.27Å; D113-K115 IonicContact OD2-NZ 2.86Å; D113-K115 PolarHBondContact OD2-NZ 2.61Å; K115-E117 WeakPolarHBondContact CB-OE2 3.34Å; K115-E117 HydrophobicContact CD-CB 4.32Å; K115-E117 WeakPolarHBondContact CD-OE2 3.21Å; K115-E117 HydrophobicContact CG-CB 4.22Å; K115-E117 VanDerWaalsContact CG-OE2 3.3Å; K115-E117 WeakPolarHBondContact CG-OE2 3.39Å; K115-E117 PolarHBondContact O-N 3.12Å; K115-N118 WeakPolarHBondContact CE-ND2 3.43Å; K115-N118 HydrophobicContact CG-CB 4.21Å; K115-N118 PolarHBondContact O-N 3.39Å; K115-Y156 HydrophobicContact CB-CD2 4.02Å; K115-Y156 HydrophobicContact CB-CE2 4.3Å; K115-Y156 HydrophobicContact CB-CG 4.18Å
116P84.2Confident87.8Confident3 Ų342.8 Ų42.82%0.01921%0.214CC..G310 helixtrans-56.2-32.3-179-29.439.4000114.7L75 F76 N118 L119 Y156 I179L75-P116 HydrophobicContact CD2-CB 4.31Å; F76-P116 HydrophobicContact CD2-CB 3.69Å; F76-P116 HydrophobicContact CD2-CG 4.28Å; F76-P116 HydrophobicContact CE2-CB 3.16Å; F76-P116 HydrophobicContact CE2-CG 3.27Å; F76-P116 HydrophobicContact CZ-CB 3.67Å; F76-P116 HydrophobicContact CZ-CG 3.49Å; F76-P116 VanDerWaalsContact CZ-CG 3.49Å; P116-N118 PolarHBondContact O-N 2.77Å; P116-L119 PolarHBondContact O-N 2.93Å; P116-Y156 HydrophobicContact CG-CE1 3.79Å; P116-I179 HydrophobicContact CG-CG1 4.12Å
117E82.4Confident87.5Confident41 Ų4145.3 Ų45.319%0.19223%0.228CC..G310 helixtrans-64.1-22.3175.7-55.296131.400113.1K115 Q278K115-E117 WeakPolarHBondContact CB-OE2 3.34Å; K115-E117 HydrophobicContact CD-CB 4.32Å; K115-E117 WeakPolarHBondContact CD-OE2 3.21Å; K115-E117 HydrophobicContact CG-CB 4.22Å; K115-E117 VanDerWaalsContact CG-OE2 3.3Å; K115-E117 WeakPolarHBondContact CG-OE2 3.39Å; K115-E117 PolarHBondContact O-N 3.12Å; E117-Q278 PolarHBondContact OE1-NE2 2.88Å
118N88.2Confident87.8Confident10 Ų1043 Ų435%0.05322%0.217CC..G310 helixtrans-97.48.8176.9-69.2-8.6000112.3D113 K115 P116 S133D113-N118 PolarHBondContact O-ND2 2.92Å; D113-N118 PolarHBondContact OD2-ND2 2.91Å; K115-N118 WeakPolarHBondContact CE-ND2 3.43Å; K115-N118 HydrophobicContact CG-CB 4.21Å; K115-N118 PolarHBondContact O-N 3.39Å; P116-N118 PolarHBondContact O-N 2.77Å; N118-S133 WeakPolarHBondContact CA-OG 3.23Å; N118-S133 PolarHBondContact O-N 3.24Å; N118-S133 PolarHBondContact O-OG 3Å
119L91.4Very high88.3Confident1 Ų145.1 Ų45.11%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-114.3107.2175.5-63.4-176.5000109.6L75 V97 P116 I130 I132 I179L75-L119 HydrophobicContact CB-CB 4.15Å; L75-L119 WeakPolarHBondContact CB-O 3.46Å; L75-L119 HydrophobicContact CD2-CB 3.96Å; L75-L119 HydrophobicContact CD2-CD1 3.7Å; L75-L119 HydrophobicContact CD2-CG 4.46Å; L75-L119 PolarHBondContact N-O 3.09Å; L75-L119 VanDerWaalsContact N-O 3.1Å; V97-L119 HydrophobicContact CG2-CD1 4.03Å; V97-L119 HydrophobicContact CG2-CD2 3.97Å; P116-L119 PolarHBondContact O-N 2.93Å; L119-I130 HydrophobicContact CB-CD1 4.17Å; L119-I130 HydrophobicContact CB-CG1 4.16Å; L119-I132 HydrophobicContact CD2-CB 4.48Å; L119-I132 HydrophobicContact CD2-CG1 3.8Å; L119-I179 HydrophobicContact CD1-CD1 4.05Å; L119-I179 HydrophobicContact CD1-CG2 4Å
120L91.9Very high88.8Confident40 Ų4045 Ų4521%0.20922%0.221CC..EExtended strand (participates in β ladder)trans-119.7140-173.1-57179.9000110.7V70 G73 E74 M131V70-L120 HydrophobicContact CG1-CB 3.56Å; V70-L120 HydrophobicContact CG1-CD1 4.34Å; G73-L120 WeakPolarHBondContact O-CA 3.29Å; E74-L120 HydrophobicContact CG-CD2 4.06Å; L120-M131 PolarHBondContact N-O 3.3Å; L120-M131 WeakPolarHBondContact O-CA 3.49Å; L120-M131 WeakPolarHBondContact O-CB 3.48Å; L120-M131 PolarHBondContact O-N 2.79Å
121Y93.9Very high89.2Confident16 Ų1645 Ų456%0.06322%0.221CC..EExtended strand (participates in β ladder)trans-74.9132.8173.1-79.4-84.7000110.4V70 G72 G73 L75 R78 L93 N123 S128 I130V70-Y121 WeakPolarHBondContact CG1-O 3.37Å; G72-Y121 WeakPolarHBondContact CA-O 3.26Å; G72-Y121 PolarHBondContact N-O 3.21Å; G73-Y121 PolarHBondContact O-N 3.07Å; L75-Y121 HydrophobicContact CD1-CE2 4.11Å; R78-Y121 HydrophobicContact CB-CD2 3.78Å; R78-Y121 HydrophobicContact CB-CE2 3.59Å; R78-Y121 HydrophobicContact CG-CD2 3.6Å; R78-Y121 HydrophobicContact CG-CE2 3.99Å; R78-Y121 HydrophobicContact CG-CG 4.31Å; L93-Y121 WeakPolarHBondContact CD1-OH 3.21Å; Y121-N123 VanDerWaalsContact C-N 3.3Å; Y121-N123 PolarHBondContact O-N 3.47Å; Y121-S128 VanDerWaalsContact CD1-O 3.29Å; Y121-S128 WeakPolarHBondContact CD1-O 3.41Å; Y121-S128 WeakPolarHBondContact CE1-O 3.12Å; Y121-I130 HydrophobicContact CD1-CD1 4.35Å; Y121-I130 HydrophobicContact CD2-CD1 4.03Å; Y121-I130 HydrophobicContact CE1-CD1 4.39Å; Y121-I130 HydrophobicContact CE2-CD1 4.07Å; Y121-I130 HydrophobicContact CG-CD1 4.2Å
122F94.4Very high89.5Confident63 Ų6344.8 Ų44.828%0.27622%0.22SC..SBendtrans-49.7-48.2-178.9179-120.5000112.9V70 S71 S128 K129 M131V70-F122 HydrophobicContact CG2-CD2 4.45Å; S71-F122 PolarHBondContact N-O 3.3Å; F122-S128 PolarHBondContact N-OG 3.15Å; F122-K129 HydrophobicContact CB-CG 3.9Å; F122-K129 PolarHBondContact N-O 3.3Å; F122-M131 HydrophobicContact CB-CG 3.85Å; F122-M131 HydrophobicContact CB-SD 4.19Å; F122-M131 HydrophobicContact CD2-CG 4.38Å; F122-M131 HydrophobicContact CD2-SD 4.39Å
123N92.5Very high89.6Confident44 Ų4442.5 Ų42.524%0.23521%0.214CC..SBendtrans-145.9166.2-177.764.123.7000110.5G72 Y121 Q125 S128G72-N123 VanDerWaalsContact CA-O 3.26Å; G72-N123 WeakPolarHBondContact CA-O 3.37Å; Y121-N123 VanDerWaalsContact C-N 3.3Å; Y121-N123 PolarHBondContact O-N 3.47Å; N123-Q125 PolarHBondContact O-N 3.35Å; N123-Q125 PolarHBondContact OD1-OE1 2.87Å; N123-S128 PolarHBondContact N-OG 2.81Å; N123-S128 WeakPolarHBondContact O-CB 3.31Å; N123-S128 PolarHBondContact O-OG 3.46Å; N123-S128 WeakPolarHBondContact OD1-CB 3.38Å; N123-S128 PolarHBondContact OD1-OG 3.25Å
124P89.4Confident89.4Confident76 Ų7642.9 Ų42.949%0.49422%0.216SC..SBendtrans-76.12-172.929.9-36.8000114.7R78R78-P124 PolarHBondContact NH2-O 2.99Å; R78-P124 VanDerWaalsContact NH2-O 3.16Å
125Q90.1Very high88.5Confident110 Ų11043.4 Ų43.451%0.51422%0.218SC..SBendtrans-70.5153.2177.5-71.874.6800111.5R78 N123 E127 S128R78-Q125 PolarHBondContact NH2-O 3.07Å; N123-Q125 PolarHBondContact O-N 3.35Å; N123-Q125 PolarHBondContact OD1-OE1 2.87Å; Q125-E127 VanDerWaalsContact C-N 3.34Å; Q125-E127 PolarHBondContact O-N 3.01Å; Q125-S128 WeakPolarHBondContact O-CB 3.46Å; Q125-S128 PolarHBondContact O-N 3.44Å; Q125-S128 VanDerWaalsContact O-N 3.12Å
126D84.1Confident87Confident118 Ų11842.4 Ų42.463%0.63122%0.217SC*.THydrogen-bonded Turntrans-71.9-27.6-174.8-68.8-20.7000113.9R78 S128R78-D126 IonicContact CZ-OD1 3.39Å; R78-D126 IonicContact NH1-OD1 3.68Å; R78-D126 IonicContact NH2-OD1 3.56Å; R78-D126 PolarHBondContact NH2-OD1 2.92Å; D126-S128 VanDerWaalsContact C-N 3.25Å; D126-S128 PolarHBondContact O-N 3.42Å
127E86.8Confident85.5Confident195 Ų19547 Ų4791%0.91124%0.241SC*.THydrogen-bonded Turntrans-86.411.8172.1-59.7-175164.100112.9Q125 K129Q125-E127 VanDerWaalsContact C-N 3.34Å; Q125-E127 PolarHBondContact O-N 3.01Å; E127-K129 PolarHBondContact O-N 2.87Å
128S93.5Very high84.2Confident12 Ų1245.4 Ų45.48%0.08423%0.234CC..PPolyproline II helixtrans-59.2130.3177.9-178.90000111.3Y121 F122 N123 Q125 D126Y121-S128 VanDerWaalsContact CD1-O 3.29Å; Y121-S128 WeakPolarHBondContact CD1-O 3.41Å; Y121-S128 WeakPolarHBondContact CE1-O 3.12Å; F122-S128 PolarHBondContact N-OG 3.15Å; N123-S128 PolarHBondContact N-OG 2.81Å; N123-S128 WeakPolarHBondContact O-CB 3.31Å; N123-S128 PolarHBondContact O-OG 3.46Å; N123-S128 WeakPolarHBondContact OD1-CB 3.38Å; N123-S128 PolarHBondContact OD1-OG 3.25Å; Q125-S128 WeakPolarHBondContact O-CB 3.46Å; Q125-S128 PolarHBondContact O-N 3.44Å; Q125-S128 VanDerWaalsContact O-N 3.12Å; D126-S128 VanDerWaalsContact C-N 3.25Å; D126-S128 PolarHBondContact O-N 3.42Å
129K95.2Very high82.7Confident63 Ų6346.3 Ų46.327%0.27424%0.237SC..PPolyproline II helixtrans-64.3155.5165.262.6175.8173.2175.90112E48 Q96 F122 E127 M131E48-K129 WeakPolarHBondContact O-CD 3.39Å; E48-K129 VanDerWaalsContact O-CE 3.3Å; E48-K129 WeakPolarHBondContact O-CE 3.25Å; E48-K129 PolarHBondContact O-NZ 3.15Å; Q96-K129 VanDerWaalsContact OE1-CA 3.31Å; Q96-K129 VanDerWaalsContact OE1-CB 3.3Å; F122-K129 HydrophobicContact CB-CG 3.9Å; F122-K129 PolarHBondContact N-O 3.3Å; E127-K129 PolarHBondContact O-N 2.87Å; K129-M131 HydrophobicContact CD-SD 4.04Å; K129-M131 HydrophobicContact CG-SD 4.13Å
130I96.1Very high80.7Confident0 Ų050.5 Ų50.50%026%0.258CS..EExtended strand (participates in β ladder)trans-85.2147171.5-160.171000110.1N49 L75 L93 Q96 V97 L119 Y121N49-I130 WeakPolarHBondContact CA-O 3.28Å; N49-I130 WeakPolarHBondContact CB-O 3.36Å; N49-I130 PolarHBondContact ND2-O 3.41Å; L75-I130 HydrophobicContact CD1-CD1 4.24Å; L93-I130 HydrophobicContact CD2-CG1 4.27Å; L93-I130 HydrophobicContact CD2-CG2 4.49Å; L93-I130 HydrophobicContact CG-CB 4.43Å; Q96-I130 HydrophobicContact CB-CG2 3.56Å; Q96-I130 HydrophobicContact CG-CG2 4.43Å; V97-I130 HydrophobicContact CG2-CG2 4.1Å; L119-I130 HydrophobicContact CB-CD1 4.17Å; L119-I130 HydrophobicContact CB-CG1 4.16Å; Y121-I130 HydrophobicContact CD1-CD1 4.35Å; Y121-I130 HydrophobicContact CD2-CD1 4.03Å; Y121-I130 HydrophobicContact CE1-CD1 4.39Å; Y121-I130 HydrophobicContact CE2-CD1 4.07Å; Y121-I130 HydrophobicContact CG-CD1 4.2Å
131M94.8Very high78.3Confident1 Ų153.3 Ų53.31%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-126.8128.5179.7-55.4-64.5-67.500109.1E48 N49 I50 V51 V70 L120 F122 K129E48-M131 WeakPolarHBondContact O-CE 3.42Å; N49-M131 WeakPolarHBondContact O-CA 3.31Å; I50-M131 WeakPolarHBondContact O-CE 3.44Å; V51-M131 HydrophobicContact CG2-CB 4.1Å; V70-M131 HydrophobicContact CG1-CG 4.41Å; V70-M131 HydrophobicContact CG2-CB 4.23Å; V70-M131 HydrophobicContact CG2-CG 4.06Å; L120-M131 PolarHBondContact N-O 3.3Å; L120-M131 WeakPolarHBondContact O-CA 3.49Å; L120-M131 WeakPolarHBondContact O-CB 3.48Å; L120-M131 PolarHBondContact O-N 2.79Å; F122-M131 HydrophobicContact CB-CG 3.85Å; F122-M131 HydrophobicContact CB-SD 4.19Å; F122-M131 HydrophobicContact CD2-CG 4.38Å; F122-M131 HydrophobicContact CD2-SD 4.39Å; K129-M131 HydrophobicContact CD-SD 4.04Å; K129-M131 HydrophobicContact CG-SD 4.13Å
132I93.2Very high75.8Confident0 Ų056.2 Ų56.20%031%0.305CS..EExtended strand (participates in β ladder)trans-78.8120.8168.2-54-172.6000108.5N49 V51 V97 A100 V101 H111 L114 L119N49-I132 PolarHBondContact O-N 2.89Å; V51-I132 WeakPolarHBondContact CG2-O 3.43Å; V51-I132 PolarHBondContact N-O 3.04Å; V97-I132 HydrophobicContact CG1-CD1 4.21Å; A100-I132 HydrophobicContact CB-CD1 3.54Å; A100-I132 HydrophobicContact CB-CG1 4.17Å; V101-I132 HydrophobicContact CG2-CD1 3.64Å; H111-I132 WeakPolarHBondContact NE2-CG2 3.21Å; L114-I132 HydrophobicContact CD2-CD1 4.25Å; L114-I132 HydrophobicContact CD2-CG2 4.07Å; L119-I132 HydrophobicContact CD2-CB 4.48Å; L119-I132 HydrophobicContact CD2-CG1 3.8Å
133S86.4Confident73.3Confident17 Ų1756 Ų5612%0.11931%0.311CS..  trans-107.5168.5175690000111.5H111 N118 F135H111-S133 PolarHBondContact NE2-O 3.26Å; N118-S133 WeakPolarHBondContact CA-OG 3.23Å; N118-S133 PolarHBondContact O-N 3.24Å; N118-S133 PolarHBondContact O-OG 3Å; S133-F135 PolarHBondContact O-N 3.45Å
134D75.7Confident70.6Confident57 Ų5757.6 Ų57.631%0.30534%0.339SS..  trans59.129.5172.8-14713.2000118.2K21 G136K21-D134 IonicContact NZ-OD1 3.13Å; K21-D134 PolarHBondContact NZ-OD1 3.37Å; D134-G136 PolarHBondContact O-N 3.34Å
135F68.3Low68Low14 Ų1458.8 Ų58.86%0.06134%0.341CS..  trans-74.70.616861.6-85.8000113.8L42 I45 I50 V51 S133 L137 S138L42-F135 HydrophobicContact CD2-CD2 3.37Å; L42-F135 HydrophobicContact CD2-CE2 3.4Å; I45-F135 HydrophobicContact CD1-CD2 3.86Å; I45-F135 HydrophobicContact CD1-CE2 3.6Å; I45-F135 HydrophobicContact CG2-CE2 4.25Å; I45-F135 HydrophobicContact CG2-CZ 4.32Å; I50-F135 HydrophobicContact CG2-CD1 3.69Å; I50-F135 HydrophobicContact CG2-CE1 3.19Å; I50-F135 HydrophobicContact CG2-CE2 4.4Å; I50-F135 HydrophobicContact CG2-CG 4.5Å; I50-F135 HydrophobicContact CG2-CZ 3.6Å; V51-F135 HydrophobicContact CB-CE1 4.38Å; V51-F135 VanDerWaalsContact O-CE1 3.26Å; V51-F135 WeakPolarHBondContact O-CE1 3.3Å; V51-F135 WeakPolarHBondContact O-CZ 3.44Å; S133-F135 PolarHBondContact O-N 3.45Å; F135-L137 PolarHBondContact O-N 3.15Å; F135-S138 WeakPolarHBondContact O-CB 3.48Å; F135-S138 PolarHBondContact O-N 3.15Å; F135-S138 PolarHBondContact O-OG 2.96Å
136G54.2Low65.3Low10 Ų1057.1 Ų57.110%0.10334%0.338CS..THydrogen-bonded Turntrans-73.723.6-173.600000116.7D134D134-G136 PolarHBondContact O-N 3.34Å
137L52.9Low62.9Low100 Ų10054.4 Ų54.452%0.52432%0.322SS..THydrogen-bonded Turntrans-139.717.8166.9-67.4176.9000111.1E38 F135 K139E38-L137 WeakPolarHBondContact OE1-CA 3.35Å; E38-L137 PolarHBondContact OE1-N 3.11Å; F135-L137 PolarHBondContact O-N 3.15Å; L137-K139 PolarHBondContact O-N 2.86Å
138S54.4Low60.2Low6 Ų649.2 Ų49.24%0.04231%0.307CS..  trans-75.8111.9-178.465.60000110.7E38 I109 V110 F135E38-S138 PolarHBondContact OE1-N 3.04Å; I109-S138 WeakPolarHBondContact CG2-OG 3.3Å; V110-S138 VanDerWaalsContact O-CB 3.32Å; V110-S138 WeakPolarHBondContact O-CB 3.48Å; F135-S138 WeakPolarHBondContact O-CB 3.48Å; F135-S138 PolarHBondContact O-N 3.15Å; F135-S138 PolarHBondContact O-OG 2.96Å
139K57.8Low57.4Low30 Ų3052.5 Ų52.513%0.1333%0.327CS..PPolyproline II helixtrans-75.9144.7176.7-31.3-176.9-174.2178.50112.5R112 L137 S143 D145 M147R112-K139 PolarHBondContact NH2-O 2.83Å; L137-K139 PolarHBondContact O-N 2.86Å; K139-S143 VanDerWaalsContact CD-OG 3.23Å; K139-S143 WeakPolarHBondContact CD-OG 3.47Å; K139-D145 PolarHBondContact NZ-O 3.12Å; K139-D145 VanDerWaalsContact NZ-O 3.11Å; K139-D145 IonicContact NZ-OD2 3.78Å; K139-M147 WeakPolarHBondContact CE-SD 3.42Å; K139-M147 PolarHBondContact NZ-SD 3.27Å
140M48.5Very low54.4Low88 Ų8851.8 Ų51.843%0.43333%0.333SS..BIsolated β-bridgetrans-57.3150.3163-65-160.4-69.900112.4V41 G108V41-M140 HydrophobicContact CG2-SD 3.78Å; G108-M140 WeakPolarHBondContact O-CA 3.31Å
141E42.1Very low51.2Low99 Ų9956.5 Ų56.546%0.46337%0.365SS..THydrogen-bonded Turntrans-61.8134.6171.2-168.8163-12400110.6G108 K169G108-E141 PolarHBondContact O-N 3.19Å; E141-K169 IonicContact OE1-NZ 3.67Å; E141-K169 WeakPolarHBondContact OE2-CE 3.37Å; E141-K169 IonicContact OE2-NZ 2.63Å; E141-K169 PolarHBondContact OE2-NZ 3.2Å
142G40.4Very low48.7Very low78 Ų7857.6 Ų57.680%0.80438%0.376SS*.THydrogen-bonded Turntrans101.9-10.317700000117.1G144G142-G144 PolarHBondContact O-N 3Å
143S42.8Very low46.9Very low57 Ų5760 Ų6040%0.39939%0.391SS..  trans-69.5103.7167.771.10000109.5K139 D145K139-S143 VanDerWaalsContact CD-OG 3.23Å; K139-S143 WeakPolarHBondContact CD-OG 3.47Å; S143-D145 PolarHBondContact O-N 3.43Å
144G35.3Very low45.8Very low79 Ų7960.9 Ų60.981%0.81440%0.396SS*.  trans-62.22.7-173.300000117G142 V146G142-G144 PolarHBondContact O-N 3Å; G144-V146 PolarHBondContact O-N 3.45Å
145D34.7Very low45.7Very low101 Ų10158.7 Ų58.754%0.5439%0.387SS..  trans-66.299170.1-89.2-2.1000111.6K139 S143 M147K139-D145 PolarHBondContact NZ-O 3.12Å; K139-D145 VanDerWaalsContact NZ-O 3.11Å; K139-D145 IonicContact NZ-OD2 3.78Å; S143-D145 PolarHBondContact O-N 3.43Å; D145-M147 HydrophobicContact CB-CE 4.46Å; D145-M147 HydrophobicContact CB-CG 4.35Å; D145-M147 PolarHBondContact O-N 3.16Å; D145-M147 WeakPolarHBondContact OD2-CE 3.45Å
146V33.8Very low46.4Very low75 Ų7559 Ų5946%0.45539%0.388SS..  trans-6282.3155.2-175.40000107.9G144 S148G144-V146 PolarHBondContact O-N 3.45Å; V146-S148 PolarHBondContact O-N 2.65Å
147M34.8Very low47.8Very low61 Ų6159.6 Ų59.630%0.339%0.39SS..  trans-69.6105.2177.8-93.6-176.5-163.500109.5K31 K139 D145 T149K31-M147 HydrophobicContact CD-CE 4.37Å; K31-M147 VanDerWaalsContact NZ-CE 3.29Å; K139-M147 WeakPolarHBondContact CE-SD 3.42Å; K139-M147 PolarHBondContact NZ-SD 3.27Å; D145-M147 HydrophobicContact CB-CE 4.46Å; D145-M147 HydrophobicContact CB-CG 4.35Å; D145-M147 PolarHBondContact O-N 3.16Å; D145-M147 WeakPolarHBondContact OD2-CE 3.45Å; M147-T149 PolarHBondContact O-N 3.15Å
148S30.2Very low49.4Very low85 Ų8554.9 Ų54.959%0.59437%0.365SS*.  trans-72.734.6-176.350.10000113.8V146V146-S148 PolarHBondContact O-N 2.65Å
149T34.7Very low51.1Low82 Ų8254.9 Ų54.950%0.50337%0.365SS..  trans-121.994.7-172.7-270000110M147 C151M147-T149 PolarHBondContact O-N 3.15Å; T149-C151 WeakPolarHBondContact CG2-SG 3.42Å; T149-C151 PolarHBondContact O-N 2.83Å; T149-C151 PolarHBondContact O-SG 3.22Å
150A31.3Very low52.5Low48 Ų4854 Ų5440%0.39736%0.362SS..  trans-72.283.3168.900000109.2M289A150-M289 HydrophobicContact CB-CE 3.69Å; A150-M289 WeakPolarHBondContact O-CE 3.42Å
151C29Very low54.2Low99 Ų9951.9 Ų51.967%0.66935%0.354SS*.  trans-86-9.8-177-63.10000114.3T149T149-C151 WeakPolarHBondContact CG2-SG 3.42Å; T149-C151 PolarHBondContact O-N 2.83Å; T149-C151 PolarHBondContact O-SG 3.22Å
152G42.9Very low55.9Low24 Ų2449 Ų4925%0.24734%0.341CS..SBendtrans-90.1162-173.100000113.8P154G152-P154 WeakPolarHBondContact O-CD 3.3Å
153T54.8Low57.6Low50 Ų5047.4 Ų47.431%0.30732%0.32SS..  trans-58.9115.9158-57.10000106.9G155 Y156T153-G155 VanDerWaalsContact C-N 3.25Å; T153-G155 PolarHBondContact O-N 3.29Å; T153-Y156 HydrophobicContact CG2-CD2 4.14Å; T153-Y156 HydrophobicContact CG2-CE2 3.87Å; T153-Y156 PolarHBondContact O-N 3.23Å
154P62.9Low59.1Low36 Ų3651 Ų5123%0.23433%0.331CS..G310 helixtrans-63.7-24.9-159.519.7-32.2000115.1G152 Y156 V157 L198 F199 I202G152-P154 WeakPolarHBondContact O-CD 3.3Å; P154-Y156 PolarHBondContact O-N 3.46Å; P154-Y156 VanDerWaalsContact O-N 3.14Å; P154-V157 WeakPolarHBondContact O-CB 3.48Å; P154-V157 PolarHBondContact O-N 3.39Å; P154-V157 VanDerWaalsContact O-N 3.14Å; P154-L198 HydrophobicContact CB-CD2 4.41Å; P154-L198 HydrophobicContact CG-CD2 3.89Å; P154-F199 HydrophobicContact CB-CD1 4.44Å; P154-F199 HydrophobicContact CB-CE1 3.67Å; P154-F199 HydrophobicContact CG-CE1 4.37Å; P154-I202 WeakPolarHBondContact O-CD1 3.21Å
155G74.3Confident60.9Low11 Ų1153.2 Ų53.211%0.11332%0.318CS..G310 helixtrans-61.6-17.1179.500000116T153T153-G155 VanDerWaalsContact C-N 3.25Å; T153-G155 PolarHBondContact O-N 3.29Å
156Y82Confident62.4Low19 Ų1954 Ų548%0.07533%0.329CS..G310 helixtrans-98.6-4.2178.2-53.9-78.5000113.8K115 P116 T153 P154 S175 V178 I179 I182K115-Y156 HydrophobicContact CB-CD2 4.02Å; K115-Y156 HydrophobicContact CB-CE2 4.3Å; K115-Y156 HydrophobicContact CB-CG 4.18Å; P116-Y156 HydrophobicContact CG-CE1 3.79Å; T153-Y156 HydrophobicContact CG2-CD2 4.14Å; T153-Y156 HydrophobicContact CG2-CE2 3.87Å; T153-Y156 PolarHBondContact O-N 3.23Å; P154-Y156 PolarHBondContact O-N 3.46Å; P154-Y156 VanDerWaalsContact O-N 3.14Å; Y156-S175 PolarHBondContact O-OG 3.32Å; Y156-V178 HydrophobicContact CD1-CB 4.18Å; Y156-V178 HydrophobicContact CD1-CG1 3.44Å; Y156-V178 VanDerWaalsContact CD1-CG1 3.44Å; Y156-V178 HydrophobicContact CE1-CG1 3.82Å; Y156-V178 HydrophobicContact CG-CG1 4.36Å; Y156-I179 HydrophobicContact CD1-CG1 4.44Å; Y156-I182 HydrophobicContact CE1-CD1 3.5Å
157V84.3Confident64Low23 Ų2353.1 Ų53.114%0.13932%0.318CS..SBendtrans-86.9135.1-171.3-179.50000110.6P154 V161 L162 W174 I202P154-V157 WeakPolarHBondContact O-CB 3.48Å; P154-V157 PolarHBondContact O-N 3.39Å; P154-V157 VanDerWaalsContact O-N 3.14Å; V157-V161 HydrophobicContact CG1-CB 3.65Å; V157-V161 HydrophobicContact CG1-CG1 3.64Å; V157-L162 HydrophobicContact CB-CD2 4.33Å; V157-L162 HydrophobicContact CG1-CD2 3.89Å; V157-L162 HydrophobicContact CG1-CG 4.01Å; V157-W174 PolarHBondContact O-NE1 3.35Å; V157-W174 VanDerWaalsContact O-NE1 3.16Å; V157-I202 WeakPolarHBondContact O-CG2 3.36Å
158A87.1Confident66.2Low1 Ų152.5 Ų52.51%0.00832%0.319CS..  trans-69.2150.1-179.400000113.1E160 V161 L162 V171 W174A158-E160 VanDerWaalsContact C-N 3.27Å; A158-E160 HydrophobicContact CB-CG 4.49Å; A158-E160 PolarHBondContact O-N 2.97Å; A158-V161 HydrophobicContact CB-CG2 4.32Å; A158-V161 WeakPolarHBondContact O-CB 3.38Å; A158-V161 PolarHBondContact O-N 3.31Å; A158-L162 PolarHBondContact O-N 3.39Å; A158-V171 HydrophobicContact CB-CB 4.04Å; A158-V171 HydrophobicContact CB-CG1 4Å; A158-W174 VanDerWaalsContact CA-CD1 3.5Å; A158-W174 HydrophobicContact CB-CB 3.86Å; A158-W174 HydrophobicContact CB-CD2 4.36Å; A158-W174 HydrophobicContact CB-CG 3.78Å
159P90.3Very high69.1Low7 Ų751 Ų515%0.04530%0.302CS..Hα-helixtrans-56.9-38.3-176.1-24.934.1000113.2V161 L162 A163 W174 I202 L203P159-V161 VanDerWaalsContact C-N 3.31Å; P159-V161 PolarHBondContact O-N 3.14Å; P159-L162 PolarHBondContact O-N 2.79Å; P159-A163 VanDerWaalsContact O-CB 3.31Å; P159-A163 WeakPolarHBondContact O-CB 3.28Å; P159-A163 PolarHBondContact O-N 3.29Å; P159-W174 HydrophobicContact CG-CD2 4.45Å; P159-W174 HydrophobicContact CG-CE3 4.11Å; P159-W174 HydrophobicContact CG-CH2 3.44Å; P159-W174 VanDerWaalsContact CG-CH2 3.44Å; P159-W174 HydrophobicContact CG-CZ2 3.81Å; P159-W174 HydrophobicContact CG-CZ3 3.6Å; P159-I202 HydrophobicContact CG-CG2 4.4Å; P159-I202 WeakPolarHBondContact CG-O 3.13Å; P159-L203 WeakPolarHBondContact O-CD2 3.27Å
160E87Confident71.8Confident12 Ų1247.6 Ų47.66%0.05628%0.282CS..Hα-helixtrans-66.9-28.7178.963.8-88.5-158.100113.7A158 A163 Q164 K165 V171 R237A158-E160 VanDerWaalsContact C-N 3.27Å; A158-E160 HydrophobicContact CB-CG 4.49Å; A158-E160 PolarHBondContact O-N 2.97Å; E160-A163 CarbonylContact O-C 3.46Å; E160-Q164 PolarHBondContact O-N 3.21Å; E160-K165 HydrophobicContact CB-CB 4.26Å; E160-K165 PolarHBondContact O-N 3.22Å; E160-V171 HydrophobicContact CG-CG1 4.29Å; E160-R237 IonicContact OE1-CZ 2.66Å; E160-R237 IonicContact OE1-NH1 2.81Å; E160-R237 PolarHBondContact OE1-NH1 3.13Å; E160-R237 IonicContact OE1-NH2 2.98Å; E160-R237 IonicContact OE2-CZ 2.97Å; E160-R237 IonicContact OE2-NH1 3.85Å; E160-R237 IonicContact OE2-NH2 3.73Å; E160-R237 PolarHBondContact OE2-NH2 3.18Å
161V82.6Confident74.7Confident43 Ų4345.5 Ų45.526%0.26127%0.265SS..Hα-helixtrans-74.6-43.2176.9179.10000110.3V157 A158 P159 A163 Q164 Y167 V171V157-V161 HydrophobicContact CG1-CB 3.65Å; V157-V161 HydrophobicContact CG1-CG1 3.64Å; A158-V161 HydrophobicContact CB-CG2 4.32Å; A158-V161 WeakPolarHBondContact O-CB 3.38Å; A158-V161 PolarHBondContact O-N 3.31Å; P159-V161 VanDerWaalsContact C-N 3.31Å; P159-V161 PolarHBondContact O-N 3.14Å; V161-A163 VanDerWaalsContact C-N 3.29Å; V161-A163 PolarHBondContact O-N 3.45Å; V161-Q164 PolarHBondContact O-N 3.29Å; V161-Q164 VanDerWaalsContact O-N 3.1Å; V161-Y167 HydrophobicContact CG2-CD1 4.12Å; V161-Y167 HydrophobicContact CG2-CD2 4.42Å; V161-Y167 HydrophobicContact CG2-CG 3.96Å; V161-V171 HydrophobicContact CG2-CB 4.31Å; V161-V171 HydrophobicContact CG2-CG1 3.55Å
162L79.4Confident77.8Confident37 Ų3740.8 Ų40.819%0.19423%0.233CC..Hα-helixtrans-62.7-37.6172.3-65.4-175000111.8V157 A158 P159 Q164 F199 I202 L203V157-L162 HydrophobicContact CB-CD2 4.33Å; V157-L162 HydrophobicContact CG1-CD2 3.89Å; V157-L162 HydrophobicContact CG1-CG 4.01Å; A158-L162 PolarHBondContact O-N 3.39Å; P159-L162 PolarHBondContact O-N 2.79Å; L162-Q164 PolarHBondContact O-N 3.19Å; L162-F199 HydrophobicContact CD1-CD1 3.86Å; L162-F199 HydrophobicContact CD2-CD1 4.16Å; L162-F199 HydrophobicContact CD2-CE1 4.2Å; L162-I202 HydrophobicContact CD1-CB 3.8Å; L162-I202 HydrophobicContact CD1-CD1 3.97Å; L162-I202 HydrophobicContact CD1-CG2 3.51Å; L162-L203 HydrophobicContact CB-CD2 4Å; L162-L203 HydrophobicContact CB-CG 4.47Å
163A76.4Confident80.4Confident45 Ų4539.7 Ų39.737%0.37222%0.221SC..THydrogen-bonded Turntrans-75.15.1174.900000114.4P159 E160 V161 K165 L203P159-A163 VanDerWaalsContact O-CB 3.31Å; P159-A163 WeakPolarHBondContact O-CB 3.28Å; P159-A163 PolarHBondContact O-N 3.29Å; E160-A163 CarbonylContact O-C 3.46Å; V161-A163 VanDerWaalsContact C-N 3.29Å; V161-A163 PolarHBondContact O-N 3.45Å; A163-K165 HydrophobicContact CB-CD 4.3Å; A163-K165 HydrophobicContact CB-CG 4.12Å; A163-K165 PolarHBondContact O-N 3.36Å; A163-K165 VanDerWaalsContact O-N 3.13Å; A163-L203 HydrophobicContact CB-CD2 4.03Å
164Q74.1Confident82.4Confident133 Ų13337.3 Ų37.362%0.62121%0.207SC*.THydrogen-bonded Turntrans53.729.1-179.6-56.5-175.1-2.600114.4E160 V161 L162E160-Q164 PolarHBondContact O-N 3.21Å; V161-Q164 PolarHBondContact O-N 3.29Å; V161-Q164 VanDerWaalsContact O-N 3.1Å; L162-Q164 PolarHBondContact O-N 3.19Å
165K71.8Confident84Confident125 Ų12535.9 Ų35.954%0.54320%0.197SC..  trans-81.6158.8176.6-65.6-178.5179.5-179.50110.5E160 A163 Y167E160-K165 HydrophobicContact CB-CB 4.26Å; E160-K165 PolarHBondContact O-N 3.22Å; A163-K165 HydrophobicContact CB-CD 4.3Å; A163-K165 HydrophobicContact CB-CG 4.12Å; A163-K165 PolarHBondContact O-N 3.36Å; A163-K165 VanDerWaalsContact O-N 3.13Å; K165-Y167 WeakPolarHBondContact O-CD1 3.4Å; K165-Y167 PolarHBondContact O-N 3.26Å
166P67.8Low85.1Confident119 Ų11935.3 Ų35.377%0.77319%0.192SC*.  trans-53.7130.3163.7-2334.1000109.8
167Y66.8Low85.9Confident55 Ų5534.4 Ų34.422%0.21619%0.188CC..  trans-126.7152.1-174.761.5-97.9000111R112 V161 K165 V171R112-Y167 HydrophobicContact CG-CE2 4.08Å; R112-Y167 PolarHBondContact NH1-OH 3.24Å; V161-Y167 HydrophobicContact CG2-CD1 4.12Å; V161-Y167 HydrophobicContact CG2-CD2 4.42Å; V161-Y167 HydrophobicContact CG2-CG 3.96Å; K165-Y167 WeakPolarHBondContact O-CD1 3.4Å; K165-Y167 PolarHBondContact O-N 3.26Å; Y167-V171 HydrophobicContact CD2-CG1 4.08Å; Y167-V171 HydrophobicContact CD2-CG2 4.45Å; Y167-V171 HydrophobicContact CG-CG1 4.21Å
168S80.6Confident86.4Confident48 Ų4833.4 Ų33.434%0.33618%0.182SC..  trans-128.6-168-172.971.60000110.9A170 V171S168-A170 PolarHBondContact O-N 3.25Å; S168-A170 PolarHBondContact OG-N 2.79Å; S168-V171 WeakPolarHBondContact O-CG2 3.2Å; S168-V171 PolarHBondContact O-N 3.07Å; S168-V171 VanDerWaalsContact O-N 3.15Å
169K90.4Very high86.8Confident54 Ų5433.3 Ų33.324%0.23518%0.182CC..THydrogen-bonded Turntrans-43.7-28.6168.7-70.9161.8178.3166.50114.8H105 V110 E141 V171 D172H105-K169 HydrophobicContact CB-CD 3.97Å; H105-K169 HydrophobicContact CB-CG 4.17Å; H105-K169 PolarHBondContact CE1-O 3.1Å; H105-K169 WeakPolarHBondContact O-CE 3.3Å; H105-K169 PolarHBondContact O-NZ 2.94Å; V110-K169 HydrophobicContact CG2-CG 3.76Å; E141-K169 IonicContact OE1-NZ 3.67Å; E141-K169 WeakPolarHBondContact OE2-CE 3.37Å; E141-K169 IonicContact OE2-NZ 2.63Å; E141-K169 PolarHBondContact OE2-NZ 3.2Å; K169-V171 PolarHBondContact O-N 3.31Å; K169-V171 VanDerWaalsContact O-N 3.15Å; K169-D172 PolarHBondContact O-N 2.63Å
170A93.2Very high87.1Confident11 Ų1133 Ų339%0.09118%0.179CC..Hα-helixtrans-60.9-20.8179.700000114.5S168 C173 W174 P234 R237S168-A170 PolarHBondContact O-N 3.25Å; S168-A170 PolarHBondContact OG-N 2.79Å; A170-C173 WeakPolarHBondContact O-CB 3.34Å; A170-C173 PolarHBondContact O-N 2.48Å; A170-W174 PolarHBondContact O-N 3.3Å; A170-P234 HydrophobicContact CB-CB 3.81Å; A170-R237 WeakPolarHBondContact O-CD 3.49Å; A170-R237 PolarHBondContact O-NH1 3.36Å
171V91.6Very high87.6Confident4 Ų432.5 Ų32.52%0.02418%0.177CC..Hα-helixtrans-68.1-36.3177.1-550000112.1V110 A158 E160 V161 Y167 S168 K169 C173 W174 S175V110-V171 HydrophobicContact CG1-CG2 3.77Å; A158-V171 HydrophobicContact CB-CB 4.04Å; A158-V171 HydrophobicContact CB-CG1 4Å; E160-V171 HydrophobicContact CG-CG1 4.29Å; V161-V171 HydrophobicContact CG2-CB 4.31Å; V161-V171 HydrophobicContact CG2-CG1 3.55Å; Y167-V171 HydrophobicContact CD2-CG1 4.08Å; Y167-V171 HydrophobicContact CD2-CG2 4.45Å; Y167-V171 HydrophobicContact CG-CG1 4.21Å; S168-V171 WeakPolarHBondContact O-CG2 3.2Å; S168-V171 PolarHBondContact O-N 3.07Å; S168-V171 VanDerWaalsContact O-N 3.15Å; K169-V171 PolarHBondContact O-N 3.31Å; K169-V171 VanDerWaalsContact O-N 3.15Å; V171-C173 VanDerWaalsContact C-N 3.32Å; V171-C173 PolarHBondContact O-N 3.02Å; V171-W174 WeakPolarHBondContact O-CB 3.49Å; V171-W174 PolarHBondContact O-N 3.37Å; V171-S175 PolarHBondContact O-N 2.94Å; V171-S175 VanDerWaalsContact O-N 3.15Å; V171-S175 PolarHBondContact O-OG 3.28Å
172D94.1Very high88.1Confident0 Ų030.5 Ų30.50%017%0.165CC..Hα-helixtrans-66.8-39.5178.7-65.3-22.8000109.9V101 H105 V110 H111 R112 L114 K169 W174 S175 I176V101-D172 HydrophobicContact CG1-CB 3.77Å; H105-D172 IonicContact CD2-OD2 3.2Å; H105-D172 IonicContact CE1-OD2 2.85Å; H105-D172 IonicContact NE2-OD2 2.62Å; H105-D172 PolarHBondContact NE2-OD2 3.33Å; V110-D172 WeakPolarHBondContact CG1-OD2 3.47Å; H111-D172 PolarHBondContact N-OD1 2.95Å; H111-D172 PolarHBondContact N-OD2 3.07Å; R112-D172 PolarHBondContact N-OD1 3.15Å; L114-D172 HydrophobicContact CD1-CB 3.68Å; K169-D172 PolarHBondContact O-N 2.63Å; D172-W174 VanDerWaalsContact C-N 3.33Å; D172-W174 PolarHBondContact O-N 2.93Å; D172-S175 PolarHBondContact O-N 3.34Å; D172-I176 VanDerWaalsContact O-CG1 3.28Å; D172-I176 WeakPolarHBondContact O-CG1 3.38Å; D172-I176 PolarHBondContact O-N 3.4Å
173C97.9Very high88.8Confident1 Ų128.7 Ų28.71%0.00716%0.156CC..Hα-helixtrans-58.6-42.1174.6-60.40000112.5A170 V171 I176 G177 L229 R237 F238A170-C173 WeakPolarHBondContact O-CB 3.34Å; A170-C173 PolarHBondContact O-N 2.48Å; V171-C173 VanDerWaalsContact C-N 3.32Å; V171-C173 PolarHBondContact O-N 3.02Å; C173-I176 PolarHBondContact O-N 3.29Å; C173-G177 PolarHBondContact O-N 3.15Å; C173-L229 HydrophobicContact CB-CD2 3.88Å; C173-R237 HydrophobicContact CB-CG 4.41Å; C173-F238 WeakPolarHBondContact CB-O 3.34Å; C173-F238 PolarHBondContact SG-O 3.04Å
174W97Very high89.7Confident0 Ų026.7 Ų26.70%014%0.138CC..Hα-helixtrans-60.9-48.6175.1174-83.7000111.5V157 A158 P159 A170 V171 D172 I176 G177 V178 F190 I202 A205 L229 M230V157-W174 PolarHBondContact O-NE1 3.35Å; V157-W174 VanDerWaalsContact O-NE1 3.16Å; A158-W174 VanDerWaalsContact CA-CD1 3.5Å; A158-W174 HydrophobicContact CB-CB 3.86Å; A158-W174 HydrophobicContact CB-CD2 4.36Å; A158-W174 HydrophobicContact CB-CG 3.78Å; P159-W174 HydrophobicContact CG-CD2 4.45Å; P159-W174 HydrophobicContact CG-CE3 4.11Å; P159-W174 HydrophobicContact CG-CH2 3.44Å; P159-W174 VanDerWaalsContact CG-CH2 3.44Å; P159-W174 HydrophobicContact CG-CZ2 3.81Å; P159-W174 HydrophobicContact CG-CZ3 3.6Å; A170-W174 PolarHBondContact O-N 3.3Å; V171-W174 WeakPolarHBondContact O-CB 3.49Å; V171-W174 PolarHBondContact O-N 3.37Å; D172-W174 VanDerWaalsContact C-N 3.33Å; D172-W174 PolarHBondContact O-N 2.93Å; W174-I176 VanDerWaalsContact C-N 3.29Å; W174-I176 PolarHBondContact O-N 2.78Å; W174-G177 WeakPolarHBondContact O-CA 3.42Å; W174-G177 PolarHBondContact O-N 3.41Å; W174-V178 PolarHBondContact O-N 3.28Å; W174-F190 HydrophobicContact CH2-CE2 4.14Å; W174-F190 AromaticContact CH2-CZ 3.77Å; W174-F190 HydrophobicContact CH2-CZ 3.77Å; W174-F190 HydrophobicContact CZ2-CD2 4.49Å; W174-F190 AromaticContact CZ2-CE2 3.39Å; W174-F190 HydrophobicContact CZ2-CE2 3.39Å; W174-F190 AromaticContact CZ2-CZ 3.49Å; W174-F190 HydrophobicContact CZ2-CZ 3.49Å; W174-F190 VanDerWaalsContact CZ2-CZ 3.49Å; W174-I202 HydrophobicContact CZ2-CG2 4.09Å; W174-A205 HydrophobicContact CH2-CB 3.8Å; W174-A205 HydrophobicContact CZ3-CB 4.13Å; W174-L229 WeakPolarHBondContact CA-O 3.43Å; W174-M230 HydrophobicContact CE3-CB 4.35Å; W174-M230 HydrophobicContact CZ3-CB 4.24Å; W174-M230 WeakPolarHBondContact CZ3-O 3.36Å
175S95Very high90.6Very high5 Ų520.3 Ų20.34%0.03511%0.109CC..Hα-helixtrans-61.4-37.4178.3-56.20000112.1L114 Y156 V171 D172 G177 V178 I179L114-S175 WeakPolarHBondContact O-CB 3.26Å; Y156-S175 PolarHBondContact O-OG 3.32Å; V171-S175 PolarHBondContact O-N 2.94Å; V171-S175 VanDerWaalsContact O-N 3.15Å; V171-S175 PolarHBondContact O-OG 3.28Å; D172-S175 PolarHBondContact O-N 3.34Å; S175-G177 VanDerWaalsContact C-N 3.34Å; S175-V178 PolarHBondContact O-N 3.37Å; S175-I179 WeakPolarHBondContact O-CD1 3.49Å; S175-I179 WeakPolarHBondContact O-CG1 3.33Å; S175-I179 PolarHBondContact O-N 1.76Å
176I97.8Very high91.5Very high0 Ų014.4 Ų14.40%08%0.083CC..Hα-helixtrans-62.2-40.8172.2-65.1168.7000111.1I94 V97 L98 V101 L114 D172 C173 W174 I179 A180 L229I94-I176 HydrophobicContact CD1-CG2 4.15Å; I94-I176 HydrophobicContact CG2-CG2 4.03Å; V97-I176 HydrophobicContact CG1-CD1 4.13Å; V97-I176 HydrophobicContact CG1-CG1 3.93Å; L98-I176 HydrophobicContact CD2-CD1 3.92Å; L98-I176 HydrophobicContact CD2-CG2 4.14Å; L98-I176 HydrophobicContact CG-CG2 4.35Å; V101-I176 HydrophobicContact CB-CD1 4.11Å; V101-I176 HydrophobicContact CG1-CD1 4.16Å; V101-I176 HydrophobicContact CG2-CD1 4.09Å; L114-I176 HydrophobicContact CD1-CD1 4.24Å; L114-I176 HydrophobicContact CD1-CG1 3.93Å; D172-I176 VanDerWaalsContact O-CG1 3.28Å; D172-I176 WeakPolarHBondContact O-CG1 3.38Å; D172-I176 PolarHBondContact O-N 3.4Å; C173-I176 PolarHBondContact O-N 3.29Å; W174-I176 VanDerWaalsContact C-N 3.29Å; W174-I176 PolarHBondContact O-N 2.78Å; I176-I179 PolarHBondContact O-N 3.24Å; I176-A180 WeakPolarHBondContact O-CB 3.45Å; I176-A180 PolarHBondContact O-N 3.49Å; I176-L229 HydrophobicContact CB-CD1 4.43Å; I176-L229 HydrophobicContact CG2-CD1 3.94Å
177G98.1Very high92.5Very high0 Ų010.1 Ų10.10%05%0.052CC..Hα-helixtrans-60.2-45.8174.200000112.9C173 W174 S175 I179 A180 Y181 M230C173-G177 PolarHBondContact O-N 3.15Å; W174-G177 WeakPolarHBondContact O-CA 3.42Å; W174-G177 PolarHBondContact O-N 3.41Å; S175-G177 VanDerWaalsContact C-N 3.34Å; G177-I179 VanDerWaalsContact C-N 3.34Å; G177-I179 PolarHBondContact O-N 3.28Å; G177-A180 PolarHBondContact O-N 3.44Å; G177-Y181 PolarHBondContact O-N 3.49Å; G177-M230 VanDerWaalsContact C-SD 3.56Å
178V96.1Very high93.7Very high1 Ų19.1 Ų9.11%0.0065%0.052CC..Hα-helixtrans-62.1-40.8175.2176.20000111.7Y156 W174 S175 Y181 I182 P189 F190 M230Y156-V178 HydrophobicContact CD1-CB 4.18Å; Y156-V178 HydrophobicContact CD1-CG1 3.44Å; Y156-V178 VanDerWaalsContact CD1-CG1 3.44Å; Y156-V178 HydrophobicContact CE1-CG1 3.82Å; Y156-V178 HydrophobicContact CG-CG1 4.36Å; W174-V178 PolarHBondContact O-N 3.28Å; S175-V178 PolarHBondContact O-N 3.37Å; V178-Y181 PolarHBondContact O-N 3.5Å; V178-I182 HydrophobicContact CG1-CD1 4.07Å; V178-I182 WeakPolarHBondContact O-CD1 3.5Å; V178-I182 WeakPolarHBondContact O-CG1 3.43Å; V178-I182 PolarHBondContact O-N 2.69Å; V178-I182 VanDerWaalsContact O-N 3.16Å; V178-P189 HydrophobicContact CB-CG 4.42Å; V178-P189 HydrophobicContact CG1-CG 3.95Å; V178-P189 HydrophobicContact CG2-CG 4.23Å; V178-F190 HydrophobicContact CG2-CE2 4.22Å; V178-M230 HydrophobicContact CG2-CE 4.21Å; V178-M230 HydrophobicContact CG2-SD 4.11Å
179I94.9Very high94.3Very high0 Ų07.4 Ų7.40%04%0.04CC..Hα-helixtrans-65-44.4176-67.2162.3000110.4L75 I94 L114 P116 L119 Y156 S175 I176 G177 Y181 I182 L183L75-I179 HydrophobicContact CD2-CG2 4.34Å; I94-I179 HydrophobicContact CD1-CG2 4.13Å; L114-I179 HydrophobicContact CB-CD1 4.5Å; P116-I179 HydrophobicContact CG-CG1 4.12Å; L119-I179 HydrophobicContact CD1-CD1 4.05Å; L119-I179 HydrophobicContact CD1-CG2 4Å; Y156-I179 HydrophobicContact CD1-CG1 4.44Å; S175-I179 WeakPolarHBondContact O-CD1 3.49Å; S175-I179 WeakPolarHBondContact O-CG1 3.33Å; S175-I179 PolarHBondContact O-N 1.76Å; I176-I179 PolarHBondContact O-N 3.24Å; G177-I179 VanDerWaalsContact C-N 3.34Å; G177-I179 PolarHBondContact O-N 3.28Å; I179-Y181 VanDerWaalsContact C-N 3.34Å; I179-Y181 PolarHBondContact O-N 2.93Å; I179-I182 PolarHBondContact O-N 2.9Å; I179-L183 HydrophobicContact CG2-CD1 3.92Å; I179-L183 HydrophobicContact CG2-CG 4.33Å; I179-L183 VanDerWaalsContact O-CG 3.28Å; I179-L183 WeakPolarHBondContact O-CG 3.5Å; I179-L183 PolarHBondContact O-N 3.04Å
180A97.4Very high94.3Very high0 Ų05 Ų50%03%0.029CC..Hα-helixtrans-61-40.3176.800000112.3I94 I176 G177 L183 L184 F225 I226I94-A180 HydrophobicContact CD1-CB 3.81Å; I94-A180 HydrophobicContact CG1-CB 3.99Å; I176-A180 WeakPolarHBondContact O-CB 3.45Å; I176-A180 PolarHBondContact O-N 3.49Å; G177-A180 PolarHBondContact O-N 3.44Å; A180-L183 PolarHBondContact O-N 3.2Å; A180-L184 WeakPolarHBondContact O-CG 3.1Å; A180-L184 PolarHBondContact O-N 3.31Å; A180-F225 HydrophobicContact CB-CE1 4.08Å; A180-I226 HydrophobicContact CB-CG1 4.07Å
181Y96.6Very high93.9Very high2 Ų29 Ų91%0.0084%0.043CC..Hα-helixtrans-57-53.8173.2-173.5-75.6000111.1G177 V178 I179 L183 L184 C185 Y187 P189 Y207 E208 F209 W214 I226G177-Y181 PolarHBondContact O-N 3.49Å; V178-Y181 PolarHBondContact O-N 3.5Å; I179-Y181 VanDerWaalsContact C-N 3.34Å; I179-Y181 PolarHBondContact O-N 2.93Å; Y181-L183 VanDerWaalsContact C-N 3.3Å; Y181-L183 PolarHBondContact O-N 2.99Å; Y181-L184 PolarHBondContact O-N 3.06Å; Y181-L184 VanDerWaalsContact O-N 3.09Å; Y181-C185 VanDerWaalsContact CD1-SG 3.51Å; Y181-C185 WeakPolarHBondContact CE1-SG 3.4Å; Y181-C185 PolarHBondContact O-N 3.16Å; Y181-C185 PolarHBondContact O-SG 3Å; Y181-Y187 VanDerWaalsContact CD1-O 3.32Å; Y181-Y187 WeakPolarHBondContact CD1-O 3.38Å; Y181-Y187 HydrophobicContact CE1-CD2 4.02Å; Y181-Y187 AromaticContact CE1-CE2 3.79Å; Y181-Y187 HydrophobicContact CE1-CE2 3.79Å; Y181-Y187 WeakPolarHBondContact CE1-O 3.46Å; Y181-Y187 AromaticContact CZ-CE2 3.98Å; Y181-Y187 WeakPolarHBondContact OH-CE2 3.21Å; Y181-Y187 PolarHBondContact OH-OH 3.35Å; Y181-P189 HydrophobicContact CD1-CB 3.74Å; Y181-P189 HydrophobicContact CD1-CG 4.01Å; Y181-P189 HydrophobicContact CD2-CB 3.82Å; Y181-P189 HydrophobicContact CD2-CG 4.46Å; Y181-P189 HydrophobicContact CE1-CB 3.8Å; Y181-P189 HydrophobicContact CE2-CB 3.88Å; Y181-P189 HydrophobicContact CG-CB 3.77Å; Y181-P189 HydrophobicContact CG-CG 4Å; Y181-Y207 HydrophobicContact CD2-CD2 4.42Å; Y181-Y207 HydrophobicContact CE2-CD2 4.15Å; Y181-E208 WeakPolarHBondContact CE2-O 3.46Å; Y181-E208 PolarHBondContact OH-O 2.82Å; Y181-F209 HydrophobicContact CD2-CD1 4.27Å; Y181-F209 AromaticContact CD2-CE1 3.94Å; Y181-F209 HydrophobicContact CD2-CE1 3.94Å; Y181-F209 AromaticContact CE2-CD1 3.82Å; Y181-F209 HydrophobicContact CE2-CD1 3.82Å; Y181-F209 AromaticContact CE2-CE1 3.92Å; Y181-F209 HydrophobicContact CE2-CE1 3.92Å; Y181-W214 AromaticContact CD1-CZ2 3.86Å; Y181-W214 HydrophobicContact CD1-CZ2 3.86Å; Y181-W214 AromaticContact CD2-CH2 3.93Å; Y181-W214 HydrophobicContact CD2-CH2 3.93Å; Y181-W214 AromaticContact CD2-CZ2 3.46Å; Y181-W214 HydrophobicContact CD2-CZ2 3.46Å; Y181-W214 VanDerWaalsContact CD2-CZ2 3.46Å; Y181-W214 AromaticContact CE1-CZ2 3.82Å; Y181-W214 HydrophobicContact CE1-CZ2 3.82Å; Y181-W214 AromaticContact CE2-CE2 3.86Å; Y181-W214 HydrophobicContact CE2-CH2 4.24Å; Y181-W214 AromaticContact CE2-CZ2 3.41Å; Y181-W214 HydrophobicContact CE2-CZ2 3.41Å; Y181-W214 VanDerWaalsContact CE2-CZ2 3.41Å; Y181-W214 HydrophobicContact CG-CH2 4.18Å; Y181-W214 AromaticContact CG-CZ2 3.68Å; Y181-W214 HydrophobicContact CG-CZ2 3.68Å; Y181-W214 AromaticContact CZ-CE2 3.81Å; Y181-W214 AromaticContact CZ-CZ2 3.59Å; Y181-W214 AromaticContact CZ-NE1 3.55Å; Y181-W214 PolarHBondContact OH-NE1 3.46Å; Y181-I226 HydrophobicContact CD2-CG2 4.26Å
182I93.8Very high93.6Very high0 Ų010.6 Ų10.60%05%0.051CC..Hα-helixtrans-64.5-34.8-178.6-59.1156.3000111.6F76 Y156 V178 I179 L184 G186 Y187 P188 F271F76-I182 HydrophobicContact CE1-CB 4.44Å; F76-I182 HydrophobicContact CE1-CG2 3.75Å; F76-I182 HydrophobicContact CE2-CG2 3.93Å; F76-I182 HydrophobicContact CZ-CB 3.9Å; F76-I182 HydrophobicContact CZ-CG2 3.27Å; Y156-I182 HydrophobicContact CE1-CD1 3.5Å; V178-I182 HydrophobicContact CG1-CD1 4.07Å; V178-I182 WeakPolarHBondContact O-CD1 3.5Å; V178-I182 WeakPolarHBondContact O-CG1 3.43Å; V178-I182 PolarHBondContact O-N 2.69Å; V178-I182 VanDerWaalsContact O-N 3.16Å; I179-I182 PolarHBondContact O-N 2.9Å; I182-L184 PolarHBondContact O-N 3.47Å; I182-G186 WeakPolarHBondContact O-CA 3.37Å; I182-G186 PolarHBondContact O-N 2.92Å; I182-Y187 WeakPolarHBondContact CG1-O 3.36Å; I182-P188 HydrophobicContact CD1-CB 4.4Å; I182-P188 HydrophobicContact CG1-CB 4.44Å; I182-F271 HydrophobicContact CG2-CE2 3.97Å; I182-F271 HydrophobicContact CG2-CZ 4.14Å
183L94.2Very high92.9Very high0 Ų017.7 Ų17.70%08%0.084CC..Hα-helixtrans-62.4-26.7176.3-75171.4000113L75 F76 I79 Y85 A90 L93 I94 I179 A180 Y181L75-L183 HydrophobicContact CD1-CD2 4.02Å; L75-L183 HydrophobicContact CD2-CD2 4.18Å; L75-L183 HydrophobicContact CG-CD2 4.25Å; F76-L183 HydrophobicContact CD1-CD2 4.43Å; F76-L183 HydrophobicContact CE1-CD2 3.89Å; F76-L183 HydrophobicContact CE1-CG 4.4Å; I79-L183 HydrophobicContact CD1-CD2 3.26Å; Y85-L183 VanDerWaalsContact CE1-O 3.28Å; Y85-L183 WeakPolarHBondContact CE1-O 3.33Å; Y85-L183 PolarHBondContact OH-O 2.81Å; A90-L183 HydrophobicContact CB-CB 4.23Å; L93-L183 HydrophobicContact CD2-CD1 4.07Å; I94-L183 HydrophobicContact CD1-CD1 3.77Å; I94-L183 HydrophobicContact CG1-CD1 3.9Å; I179-L183 HydrophobicContact CG2-CD1 3.92Å; I179-L183 HydrophobicContact CG2-CG 4.33Å; I179-L183 VanDerWaalsContact O-CG 3.28Å; I179-L183 WeakPolarHBondContact O-CG 3.5Å; I179-L183 PolarHBondContact O-N 3.04Å; A180-L183 PolarHBondContact O-N 3.2Å; Y181-L183 VanDerWaalsContact C-N 3.3Å; Y181-L183 PolarHBondContact O-N 2.99Å
184L95.4Very high92.1Very high2 Ų221.4 Ų21.41%0.0110%0.104CC..Hα-helixtrans-94.6-27.3-177.6-68.3-179.6000114.6E87 A90 A180 Y181 I182 W214 I217 A222 I226 W248 I259 V263E87-L184 HydrophobicContact CB-CD2 4.2Å; E87-L184 HydrophobicContact CG-CD2 3.93Å; A90-L184 HydrophobicContact CB-CD2 3.73Å; A90-L184 HydrophobicContact CB-CG 4.5Å; A180-L184 WeakPolarHBondContact O-CG 3.1Å; A180-L184 PolarHBondContact O-N 3.31Å; Y181-L184 PolarHBondContact O-N 3.06Å; Y181-L184 VanDerWaalsContact O-N 3.09Å; I182-L184 PolarHBondContact O-N 3.47Å; L184-W214 HydrophobicContact CB-CH2 3.79Å; L184-W214 HydrophobicContact CB-CZ3 3.99Å; L184-W214 HydrophobicContact CD1-CH2 4.21Å; L184-W214 HydrophobicContact CD1-CZ3 4.01Å; L184-I217 HydrophobicContact CB-CD1 4.36Å; L184-I217 HydrophobicContact CB-CG2 4.49Å; L184-I217 HydrophobicContact CD1-CG2 4.03Å; L184-A222 HydrophobicContact CD1-CB 3.66Å; L184-I226 HydrophobicContact CD1-CD1 3.99Å; L184-W248 HydrophobicContact CD1-CH2 4.47Å; L184-W248 HydrophobicContact CD1-CZ2 4.01Å; L184-W248 HydrophobicContact CD2-CZ2 4.12Å; L184-W248 HydrophobicContact CG-CZ2 4.45Å; L184-I259 HydrophobicContact CD2-CD1 4.15Å; L184-V263 WeakPolarHBondContact O-CG2 3.44Å
185C92.8Very high91.4Very high0 Ų024 Ų240%012%0.118CC..Hα-helixtrans-123.7-14.7-176.271.40000114.9Y181 Y187 W214 Q266Y181-C185 VanDerWaalsContact CD1-SG 3.51Å; Y181-C185 WeakPolarHBondContact CE1-SG 3.4Å; Y181-C185 PolarHBondContact O-N 3.16Å; Y181-C185 PolarHBondContact O-SG 3Å; C185-Y187 HydrophobicContact CB-CD1 3.76Å; C185-Y187 HydrophobicContact CB-CE1 3.52Å; C185-Y187 WeakPolarHBondContact SG-CD1 3.28Å; C185-Y187 WeakPolarHBondContact SG-CE1 3.5Å; C185-Y187 PolarHBondContact SG-O 2.82Å; C185-W214 HydrophobicContact CB-CD2 4.41Å; C185-W214 HydrophobicContact CB-CZ2 3.71Å; C185-Q266 WeakPolarHBondContact O-CB 3.31Å
186G90.4Very high90.8Very high0 Ų027.1 Ų27.10%014%0.14CC..SBendtrans75.713.9-179.800000116.2I182 Q266 I267 N270I182-G186 WeakPolarHBondContact O-CA 3.37Å; I182-G186 PolarHBondContact O-N 2.92Å; G186-Q266 CarbonylContact O-C 3.58Å; G186-Q266 WeakPolarHBondContact O-CB 3.42Å; G186-I267 PolarHBondContact O-N 3.13Å; G186-N270 PolarHBondContact O-ND2 3.23Å
187Y89.3Confident90.3Very high30 Ų3032.3 Ų32.312%0.11816%0.162CC..SBendtrans-136.1152.4174.367.9-90.1000112Y181 I182 C185 D210 Y213 W214 N270Y181-Y187 VanDerWaalsContact CD1-O 3.32Å; Y181-Y187 WeakPolarHBondContact CD1-O 3.38Å; Y181-Y187 HydrophobicContact CE1-CD2 4.02Å; Y181-Y187 AromaticContact CE1-CE2 3.79Å; Y181-Y187 HydrophobicContact CE1-CE2 3.79Å; Y181-Y187 WeakPolarHBondContact CE1-O 3.46Å; Y181-Y187 AromaticContact CZ-CE2 3.98Å; Y181-Y187 WeakPolarHBondContact OH-CE2 3.21Å; Y181-Y187 PolarHBondContact OH-OH 3.35Å; I182-Y187 WeakPolarHBondContact CG1-O 3.36Å; C185-Y187 HydrophobicContact CB-CD1 3.76Å; C185-Y187 HydrophobicContact CB-CE1 3.52Å; C185-Y187 WeakPolarHBondContact SG-CD1 3.28Å; C185-Y187 WeakPolarHBondContact SG-CE1 3.5Å; C185-Y187 PolarHBondContact SG-O 2.82Å; Y187-D210 WeakPolarHBondContact OH-CB 3.3Å; Y187-D210 PolarHBondContact OH-OD2 3.44Å; Y187-Y213 HydrophobicContact CD1-CD2 4.35Å; Y187-Y213 AromaticContact CE1-CD2 3.49Å; Y187-Y213 HydrophobicContact CE1-CD2 3.49Å; Y187-Y213 VanDerWaalsContact CE1-CD2 3.49Å; Y187-Y213 HydrophobicContact CE1-CE2 4.3Å; Y187-Y213 AromaticContact CE1-CG 3.78Å; Y187-Y213 HydrophobicContact CE1-CG 3.78Å; Y187-Y213 AromaticContact CZ-CD2 3.94Å; Y187-W214 AromaticContact CZ-NE1 3.73Å; Y187-W214 VanDerWaalsContact OH-CD1 3.27Å; Y187-W214 PolarHBondContact OH-NE1 3.03Å; Y187-W214 VanDerWaalsContact OH-NE1 3.16Å; Y187-N270 WeakPolarHBondContact CB-ND2 3.3Å
188P91.2Very high89.7Confident33 Ų3333 Ų3321%0.21417%0.166CC..  trans-71.7142.3178.629.5-35.2000111.8I182 F190 Y191I182-P188 HydrophobicContact CD1-CB 4.4Å; I182-P188 HydrophobicContact CG1-CB 4.44Å; P188-F190 PolarHBondContact O-N 3.41Å; P188-Y191 HydrophobicContact CG-CD2 4.43Å
189P92.9Very high89.3Confident13 Ų1336 Ų368%0.08418%0.179CC..SBendtrans-67.4-24.2179.225.4-32.3000113.4V178 Y181 Y207 M230V178-P189 HydrophobicContact CB-CG 4.42Å; V178-P189 HydrophobicContact CG1-CG 3.95Å; V178-P189 HydrophobicContact CG2-CG 4.23Å; Y181-P189 HydrophobicContact CD1-CB 3.74Å; Y181-P189 HydrophobicContact CD1-CG 4.01Å; Y181-P189 HydrophobicContact CD2-CB 3.82Å; Y181-P189 HydrophobicContact CD2-CG 4.46Å; Y181-P189 HydrophobicContact CE1-CB 3.8Å; Y181-P189 HydrophobicContact CE2-CB 3.88Å; Y181-P189 HydrophobicContact CG-CB 3.77Å; Y181-P189 HydrophobicContact CG-CG 4Å; P189-Y207 HydrophobicContact CB-CG 4.35Å; P189-M230 HydrophobicContact CB-CE 3.82Å; P189-M230 HydrophobicContact CG-CE 3.72Å; P189-M230 HydrophobicContact CG-SD 4.33Å
190F90.3Very high89.1Confident4 Ų440.7 Ų40.72%0.01820%0.201CC..SBendtrans-120.5121176.8-47.2-69.8000109.4W174 V178 P188 L198 Q201 I202 D206 Y207 M230W174-F190 HydrophobicContact CH2-CE2 4.14Å; W174-F190 AromaticContact CH2-CZ 3.77Å; W174-F190 HydrophobicContact CH2-CZ 3.77Å; W174-F190 HydrophobicContact CZ2-CD2 4.49Å; W174-F190 AromaticContact CZ2-CE2 3.39Å; W174-F190 HydrophobicContact CZ2-CE2 3.39Å; W174-F190 AromaticContact CZ2-CZ 3.49Å; W174-F190 HydrophobicContact CZ2-CZ 3.49Å; W174-F190 VanDerWaalsContact CZ2-CZ 3.49Å; V178-F190 HydrophobicContact CG2-CE2 4.22Å; P188-F190 PolarHBondContact O-N 3.41Å; F190-L198 HydrophobicContact CB-CD1 3.64Å; F190-Q201 HydrophobicContact CD1-CB 4.05Å; F190-I202 HydrophobicContact CB-CD1 4.4Å; F190-I202 HydrophobicContact CB-CG1 3.78Å; F190-I202 HydrophobicContact CD1-CG1 4.16Å; F190-I202 HydrophobicContact CD2-CG1 3.77Å; F190-I202 HydrophobicContact CE2-CG1 4.4Å; F190-I202 HydrophobicContact CG-CG1 3.63Å; F190-D206 WeakPolarHBondContact CD1-O 3.28Å; F190-D206 WeakPolarHBondContact CE1-O 3.5Å; F190-Y207 AromaticContact CE1-CD1 3.82Å; F190-Y207 HydrophobicContact CE1-CD1 3.82Å; F190-Y207 HydrophobicContact CE1-CG 4.2Å; F190-Y207 AromaticContact CZ-CD1 3.77Å; F190-Y207 HydrophobicContact CZ-CD1 3.77Å; F190-Y207 HydrophobicContact CZ-CG 4.31Å; F190-M230 HydrophobicContact CE1-CE 4.48Å; F190-M230 HydrophobicContact CE2-CE 3.49Å; F190-M230 VanDerWaalsContact CE2-CE 3.49Å; F190-M230 HydrophobicContact CZ-CE 3.44Å; F190-M230 VanDerWaalsContact CZ-CE 3.44Å
191Y85.1Confident88.8Confident95 Ų9542.9 Ų42.937%0.37321%0.211SC..  trans-156.8126.2177.2-178.9-87.4000110.8P188 E193 R277P188-Y191 HydrophobicContact CG-CD2 4.43Å; Y191-E193 HydrophobicContact CE1-CG 4.4Å; Y191-R277 VanDerWaalsContact OH-CZ 3.26Å; Y191-R277 PolarHBondContact OH-NH2 3.04Å
192D84.8Confident88.4Confident36 Ų3642.8 Ų42.819%0.19321%0.211CC..  trans-139.5166.7162.5-161.3-70.7000108.1N194 K197 L198D192-N194 WeakPolarHBondContact OD1-CB 3.48Å; D192-N194 PolarHBondContact OD1-N 3.19Å; D192-K197 HydrophobicContact CB-CB 3.88Å; D192-K197 WeakPolarHBondContact OD2-CD 3.37Å; D192-K197 IonicContact OD2-NZ 2.64Å; D192-L198 HydrophobicContact CB-CB 4.3Å
193E80.5Confident88.3Confident150 Ų15046 Ų4670%0.70123%0.227SC*.SBendtrans-85.5-16.1171.1-53.4-155.2131.600112.1Y191 R277Y191-E193 HydrophobicContact CE1-CG 4.4Å; E193-R277 IonicContact OE1-NH2 3.87Å; E193-R277 PolarHBondContact OE1-NH2 3.42Å
194N81.5Confident88.3Confident79 Ų7951.1 Ų51.142%0.42225%0.249SC..SBendtrans-102.3111.8173.3-176.5-22000110D192 S196 K197 L198D192-N194 WeakPolarHBondContact OD1-CB 3.48Å; D192-N194 PolarHBondContact OD1-N 3.19Å; N194-S196 PolarHBondContact O-N 2.77Å; N194-S196 VanDerWaalsContact O-N 3.08Å; N194-S196 WeakPolarHBondContact OD1-CB 3.39Å; N194-S196 PolarHBondContact OD1-N 3.36Å; N194-K197 HydrophobicContact CB-CB 4.38Å; N194-K197 HydrophobicContact CB-CD 4.33Å; N194-K197 HydrophobicContact CB-CG 4.27Å; N194-K197 WeakPolarHBondContact O-CB 3.44Å; N194-K197 PolarHBondContact O-N 2.95Å; N194-L198 PolarHBondContact O-N 3.39Å; N194-L198 VanDerWaalsContact O-N 3.09Å
195D81.8Confident88.3Confident54 Ų5452 Ų5229%0.28926%0.257SS..Hα-helixtrans-49.5-37178.6-64.9-24.9000112.9K197 L198 F199D195-K197 VanDerWaalsContact C-N 3.35Å; D195-K197 PolarHBondContact O-N 3.2Å; D195-L198 PolarHBondContact O-N 2.86Å; D195-F199 HydrophobicContact CB-CE2 3.99Å; D195-F199 HydrophobicContact CB-CZ 4.32Å; D195-F199 WeakPolarHBondContact O-CD2 3.43Å; D195-F199 WeakPolarHBondContact O-CG 3.42Å; D195-F199 PolarHBondContact O-N 2.76Å
196S82.8Confident88.4Confident71 Ų7155.9 Ų55.950%0.49728%0.278SS..Hα-helixtrans-64.5-36.9178.8-58.60000112.9N194 E200N194-S196 PolarHBondContact O-N 2.77Å; N194-S196 VanDerWaalsContact O-N 3.08Å; N194-S196 WeakPolarHBondContact OD1-CB 3.39Å; N194-S196 PolarHBondContact OD1-N 3.36Å; S196-E200 WeakPolarHBondContact O-CB 3.38Å; S196-E200 PolarHBondContact O-N 3.39Å
197K87.1Confident88.6Confident109 Ų10957.9 Ų57.947%0.47429%0.286SS..Hα-helixtrans-74.4-39.9176.2-72.7-174.3173.7-173.50111.5D192 N194 D195 F199 E200 Q201D192-K197 HydrophobicContact CB-CB 3.88Å; D192-K197 WeakPolarHBondContact OD2-CD 3.37Å; D192-K197 IonicContact OD2-NZ 2.64Å; N194-K197 HydrophobicContact CB-CB 4.38Å; N194-K197 HydrophobicContact CB-CD 4.33Å; N194-K197 HydrophobicContact CB-CG 4.27Å; N194-K197 WeakPolarHBondContact O-CB 3.44Å; N194-K197 PolarHBondContact O-N 2.95Å; D195-K197 VanDerWaalsContact C-N 3.35Å; D195-K197 PolarHBondContact O-N 3.2Å; K197-F199 VanDerWaalsContact C-N 3.31Å; K197-F199 PolarHBondContact O-N 3.31Å; K197-E200 WeakPolarHBondContact O-CB 3.45Å; K197-E200 PolarHBondContact O-N 3.45Å; K197-E200 VanDerWaalsContact O-N 3.11Å; K197-Q201 WeakPolarHBondContact O-CG 3.41Å; K197-Q201 PolarHBondContact O-N 3.09Å
198L85.6Confident88.9Confident14 Ų1462.7 Ų62.77%0.07331%0.309CS..Hα-helixtrans-57.4-45.5172.4174.159.5000111P154 F190 D192 N194 D195 E200 Q201 I202P154-L198 HydrophobicContact CB-CD2 4.41Å; P154-L198 HydrophobicContact CG-CD2 3.89Å; F190-L198 HydrophobicContact CB-CD1 3.64Å; D192-L198 HydrophobicContact CB-CB 4.3Å; N194-L198 PolarHBondContact O-N 3.39Å; N194-L198 VanDerWaalsContact O-N 3.09Å; D195-L198 PolarHBondContact O-N 2.86Å; L198-E200 VanDerWaalsContact C-N 3.35Å; L198-Q201 PolarHBondContact O-N 3.29Å; L198-I202 HydrophobicContact CD1-CD1 3.96Å; L198-I202 HydrophobicContact CD1-CG1 4.42Å; L198-I202 HydrophobicContact CG-CD1 4.04Å; L198-I202 WeakPolarHBondContact O-CD1 3.37Å; L198-I202 VanDerWaalsContact O-CG1 3.29Å; L198-I202 WeakPolarHBondContact O-CG1 3.19Å; L198-I202 PolarHBondContact O-N 2.68Å; L198-I202 VanDerWaalsContact O-N 3.08Å
199F86.6Confident89.1Confident63 Ų6363.6 Ų63.628%0.27631%0.31SS..Hα-helixtrans-64.1-38.4173.9-61.2-37.5000112.4P154 L162 D195 K197 I202 L203P154-F199 HydrophobicContact CB-CD1 4.44Å; P154-F199 HydrophobicContact CB-CE1 3.67Å; P154-F199 HydrophobicContact CG-CE1 4.37Å; L162-F199 HydrophobicContact CD1-CD1 3.86Å; L162-F199 HydrophobicContact CD2-CD1 4.16Å; L162-F199 HydrophobicContact CD2-CE1 4.2Å; D195-F199 HydrophobicContact CB-CE2 3.99Å; D195-F199 HydrophobicContact CB-CZ 4.32Å; D195-F199 WeakPolarHBondContact O-CD2 3.43Å; D195-F199 WeakPolarHBondContact O-CG 3.42Å; D195-F199 PolarHBondContact O-N 2.76Å; K197-F199 VanDerWaalsContact C-N 3.31Å; K197-F199 PolarHBondContact O-N 3.31Å; F199-I202 PolarHBondContact O-N 3.41Å; F199-L203 VanDerWaalsContact O-CB 3.24Å; F199-L203 WeakPolarHBondContact O-CB 3.48Å; F199-L203 WeakPolarHBondContact O-CD1 3.39Å; F199-L203 WeakPolarHBondContact O-CG 3.49Å; F199-L203 PolarHBondContact O-N 3.37Å
200E90.6Very high89Confident99 Ų9966 Ų6646%0.46332%0.322SS..Hα-helixtrans-62.5-43.4176-173.3176.3-177.600112.1S196 K197 L198 L203 K204S196-E200 WeakPolarHBondContact O-CB 3.38Å; S196-E200 PolarHBondContact O-N 3.39Å; K197-E200 WeakPolarHBondContact O-CB 3.45Å; K197-E200 PolarHBondContact O-N 3.45Å; K197-E200 VanDerWaalsContact O-N 3.11Å; L198-E200 VanDerWaalsContact C-N 3.35Å; E200-L203 PolarHBondContact O-N 3.34Å; E200-K204 HydrophobicContact CG-CD 4.21Å; E200-K204 WeakPolarHBondContact O-CB 3.1Å; E200-K204 WeakPolarHBondContact O-CG 3.14Å; E200-K204 PolarHBondContact O-N 3.27Å; E200-K204 VanDerWaalsContact OE1-CE 3.26Å; E200-K204 WeakPolarHBondContact OE1-CE 3.24Å; E200-K204 IonicContact OE1-NZ 2.69Å; E200-K204 PolarHBondContact OE1-NZ 3.16Å
201Q90.8Very high88.9Confident47 Ų4769.1 Ų69.122%0.2235%0.348CS..Hα-helixtrans-58.2-52.7174.2-72.5171.3-29.800111.1F190 K197 L198 L203 K204 A205 D206F190-Q201 HydrophobicContact CD1-CB 4.05Å; K197-Q201 WeakPolarHBondContact O-CG 3.41Å; K197-Q201 PolarHBondContact O-N 3.09Å; L198-Q201 PolarHBondContact O-N 3.29Å; Q201-L203 PolarHBondContact O-N 2.81Å; Q201-K204 CarbonylContact O-C 3.54Å; Q201-K204 PolarHBondContact O-N 3.02Å; Q201-K204 VanDerWaalsContact O-N 3.14Å; Q201-A205 PolarHBondContact O-N 3.26Å; Q201-D206 HydrophobicContact CB-CB 4.41Å; Q201-D206 PolarHBondContact O-N 3.21Å
202I89.8Confident89.1Confident0 Ų068.8 Ų68.80%036%0.358CS..Hα-helixtrans-60.5-46.8179.5-62160.6000110.7P154 V157 P159 L162 W174 F190 L198 F199 K204 A205P154-I202 WeakPolarHBondContact O-CD1 3.21Å; V157-I202 WeakPolarHBondContact O-CG2 3.36Å; P159-I202 HydrophobicContact CG-CG2 4.4Å; P159-I202 WeakPolarHBondContact CG-O 3.13Å; L162-I202 HydrophobicContact CD1-CB 3.8Å; L162-I202 HydrophobicContact CD1-CD1 3.97Å; L162-I202 HydrophobicContact CD1-CG2 3.51Å; W174-I202 HydrophobicContact CZ2-CG2 4.09Å; F190-I202 HydrophobicContact CB-CD1 4.4Å; F190-I202 HydrophobicContact CB-CG1 3.78Å; F190-I202 HydrophobicContact CD1-CG1 4.16Å; F190-I202 HydrophobicContact CD2-CG1 3.77Å; F190-I202 HydrophobicContact CE2-CG1 4.4Å; F190-I202 HydrophobicContact CG-CG1 3.63Å; L198-I202 HydrophobicContact CD1-CD1 3.96Å; L198-I202 HydrophobicContact CD1-CG1 4.42Å; L198-I202 HydrophobicContact CG-CD1 4.04Å; L198-I202 WeakPolarHBondContact O-CD1 3.37Å; L198-I202 VanDerWaalsContact O-CG1 3.29Å; L198-I202 WeakPolarHBondContact O-CG1 3.19Å; L198-I202 PolarHBondContact O-N 2.68Å; L198-I202 VanDerWaalsContact O-N 3.08Å; F199-I202 PolarHBondContact O-N 3.41Å; I202-K204 PolarHBondContact O-N 3.19Å; I202-A205 PolarHBondContact O-N 3.26Å
203L89.9Confident89.3Confident66 Ų6670.6 Ų70.635%0.34636%0.362SS..Hα-helixtrans-63.6-23179.1-74170.3000113.4P159 L162 A163 F199 E200 Q201 K232P159-L203 WeakPolarHBondContact O-CD2 3.27Å; L162-L203 HydrophobicContact CB-CD2 4Å; L162-L203 HydrophobicContact CB-CG 4.47Å; A163-L203 HydrophobicContact CB-CD2 4.03Å; F199-L203 VanDerWaalsContact O-CB 3.24Å; F199-L203 WeakPolarHBondContact O-CB 3.48Å; F199-L203 WeakPolarHBondContact O-CD1 3.39Å; F199-L203 WeakPolarHBondContact O-CG 3.49Å; F199-L203 PolarHBondContact O-N 3.37Å; E200-L203 PolarHBondContact O-N 3.34Å; Q201-L203 PolarHBondContact O-N 2.81Å; L203-K232 WeakPolarHBondContact O-CE 3.38Å; L203-K232 PolarHBondContact O-NZ 2.93Å
204K94.6Very high89.9Confident108 Ų10863.4 Ų63.447%0.4733%0.329SS..Hα-helixtrans-89.6-17.6172.6-73.2176.7-171.2171.60113.6E200 Q201 I202 D206E200-K204 HydrophobicContact CG-CD 4.21Å; E200-K204 WeakPolarHBondContact O-CB 3.1Å; E200-K204 WeakPolarHBondContact O-CG 3.14Å; E200-K204 PolarHBondContact O-N 3.27Å; E200-K204 VanDerWaalsContact OE1-CE 3.26Å; E200-K204 WeakPolarHBondContact OE1-CE 3.24Å; E200-K204 IonicContact OE1-NZ 2.69Å; E200-K204 PolarHBondContact OE1-NZ 3.16Å; Q201-K204 CarbonylContact O-C 3.54Å; Q201-K204 PolarHBondContact O-N 3.02Å; Q201-K204 VanDerWaalsContact O-N 3.14Å; I202-K204 PolarHBondContact O-N 3.19Å; K204-D206 VanDerWaalsContact C-N 3.27Å; K204-D206 HydrophobicContact CB-CB 3.79Å
205A95.6Very high90.2Very high20 Ų2064.5 Ų64.517%0.16534%0.335CS..THydrogen-bonded Turntrans55.644.3-160.400000111.6W174 Q201 I202 Y207 K232W174-A205 HydrophobicContact CH2-CB 3.8Å; W174-A205 HydrophobicContact CZ3-CB 4.13Å; Q201-A205 PolarHBondContact O-N 3.26Å; I202-A205 PolarHBondContact O-N 3.26Å; A205-Y207 HydrophobicContact CB-CE1 4.49Å; A205-Y207 VanDerWaalsContact O-CD1 3.3Å; A205-Y207 WeakPolarHBondContact O-CD1 3.43Å; A205-Y207 PolarHBondContact O-N 3.44Å; A205-K232 HydrophobicContact CB-CB 3.86Å
206D95.5Very high90.3Very high82 Ų8265.8 Ų65.844%0.43934%0.342SS..  trans-91.293.4-176.4-163.118.1000109.3F190 Q201 K204F190-D206 WeakPolarHBondContact CD1-O 3.28Å; F190-D206 WeakPolarHBondContact CE1-O 3.5Å; Q201-D206 HydrophobicContact CB-CB 4.41Å; Q201-D206 PolarHBondContact O-N 3.21Å; K204-D206 VanDerWaalsContact C-N 3.27Å; K204-D206 HydrophobicContact CB-CB 3.79Å
207Y95.3Very high90.5Very high43 Ų4362.8 Ų62.817%0.16932%0.32CS..  trans-143.4151.7176.865.1-81.2000109.4Y181 P189 F190 A205 F209 I226 S227 M230Y181-Y207 HydrophobicContact CD2-CD2 4.42Å; Y181-Y207 HydrophobicContact CE2-CD2 4.15Å; P189-Y207 HydrophobicContact CB-CG 4.35Å; F190-Y207 AromaticContact CE1-CD1 3.82Å; F190-Y207 HydrophobicContact CE1-CD1 3.82Å; F190-Y207 HydrophobicContact CE1-CG 4.2Å; F190-Y207 AromaticContact CZ-CD1 3.77Å; F190-Y207 HydrophobicContact CZ-CD1 3.77Å; F190-Y207 HydrophobicContact CZ-CG 4.31Å; A205-Y207 HydrophobicContact CB-CE1 4.49Å; A205-Y207 VanDerWaalsContact O-CD1 3.3Å; A205-Y207 WeakPolarHBondContact O-CD1 3.43Å; A205-Y207 PolarHBondContact O-N 3.44Å; Y207-F209 HydrophobicContact CE2-CE1 4.4Å; Y207-F209 HydrophobicContact CE2-CE2 4.17Å; Y207-F209 AromaticContact CE2-CZ 3.85Å; Y207-F209 HydrophobicContact CE2-CZ 3.85Å; Y207-I226 HydrophobicContact CE2-CG2 4.4Å; Y207-S227 WeakPolarHBondContact OH-CA 3.42Å; Y207-M230 HydrophobicContact CD1-CE 3.64Å; Y207-M230 HydrophobicContact CD2-CE 4.04Å; Y207-M230 HydrophobicContact CE1-CB 3.92Å; Y207-M230 HydrophobicContact CE1-CE 3.76Å; Y207-M230 HydrophobicContact CE2-CE 4.15Å; Y207-M230 HydrophobicContact CG-CE 3.8Å
208E94.4Very high90.1Very high130 Ų13058.2 Ų58.261%0.60730%0.302SS*.  trans-124.8165.8-179.8-62.7-169.5-178.400111.1Y181Y181-E208 WeakPolarHBondContact CE2-O 3.46Å; Y181-E208 PolarHBondContact OH-O 2.82Å
209F95.1Very high89.3Confident53 Ų5363.2 Ų63.223%0.23233%0.329CS..  trans-106.173.2174.5-63.4-70.4000108.5Y181 Y207 W214 K223 I226Y181-F209 HydrophobicContact CD2-CD1 4.27Å; Y181-F209 AromaticContact CD2-CE1 3.94Å; Y181-F209 HydrophobicContact CD2-CE1 3.94Å; Y181-F209 AromaticContact CE2-CD1 3.82Å; Y181-F209 HydrophobicContact CE2-CD1 3.82Å; Y181-F209 AromaticContact CE2-CE1 3.92Å; Y181-F209 HydrophobicContact CE2-CE1 3.92Å; Y207-F209 HydrophobicContact CE2-CE1 4.4Å; Y207-F209 HydrophobicContact CE2-CE2 4.17Å; Y207-F209 AromaticContact CE2-CZ 3.85Å; Y207-F209 HydrophobicContact CE2-CZ 3.85Å; F209-W214 HydrophobicContact CB-CB 4Å; F209-W214 HydrophobicContact CB-CD2 4.02Å; F209-W214 HydrophobicContact CB-CE3 4.46Å; F209-W214 HydrophobicContact CB-CG 3.8Å; F209-W214 AromaticContact CD1-CD2 3.64Å; F209-W214 HydrophobicContact CD1-CD2 3.64Å; F209-W214 AromaticContact CD1-CE2 3.71Å; F209-W214 AromaticContact CD1-CE3 3.64Å; F209-W214 HydrophobicContact CD1-CE3 3.64Å; F209-W214 HydrophobicContact CD1-CG 4.32Å; F209-W214 AromaticContact CD1-CH2 3.85Å; F209-W214 HydrophobicContact CD1-CH2 3.85Å; F209-W214 AromaticContact CD1-CZ2 3.84Å; F209-W214 HydrophobicContact CD1-CZ2 3.84Å; F209-W214 AromaticContact CD1-CZ3 3.73Å; F209-W214 HydrophobicContact CD1-CZ3 3.73Å; F209-W214 HydrophobicContact CE1-CE3 4.32Å; F209-W214 AromaticContact CE1-CH2 3.92Å; F209-W214 HydrophobicContact CE1-CH2 3.92Å; F209-W214 HydrophobicContact CE1-CZ2 4.23Å; F209-W214 AromaticContact CE1-CZ3 3.96Å; F209-W214 HydrophobicContact CE1-CZ3 3.96Å; F209-W214 HydrophobicContact CG-CD2 4.3Å; F209-W214 HydrophobicContact CG-CE3 4.43Å; F209-K223 HydrophobicContact CB-CD 4Å; F209-K223 HydrophobicContact CD1-CB 4.48Å; F209-K223 HydrophobicContact CD1-CD 4.25Å; F209-K223 HydrophobicContact CD1-CG 4.01Å; F209-K223 HydrophobicContact CD2-CB 4.15Å; F209-K223 HydrophobicContact CD2-CD 4.01Å; F209-K223 HydrophobicContact CD2-CG 4.2Å; F209-K223 HydrophobicContact CE1-CB 4.15Å; F209-K223 HydrophobicContact CE1-CG 4.09Å; F209-K223 HydrophobicContact CE2-CB 3.8Å; F209-K223 HydrophobicContact CE2-CG 4.29Å; F209-K223 HydrophobicContact CG-CB 4.47Å; F209-K223 HydrophobicContact CG-CD 3.84Å; F209-K223 HydrophobicContact CG-CG 4.06Å; F209-K223 HydrophobicContact CZ-CB 3.79Å; F209-K223 HydrophobicContact CZ-CG 4.23Å; F209-I226 HydrophobicContact CE1-CB 4.37Å; F209-I226 HydrophobicContact CE1-CD1 4.28Å; F209-I226 HydrophobicContact CE1-CG2 4.11Å; F209-I226 HydrophobicContact CZ-CB 4.27Å; F209-I226 HydrophobicContact CZ-CG2 4.07Å
210D90.4Very high88.7Confident63 Ų6365.2 Ų65.234%0.33735%0.35SS..  trans-64.4137.2-165.9-45-89.5000115Y187 Y213 W214Y187-D210 WeakPolarHBondContact OH-CB 3.3Å; Y187-D210 PolarHBondContact OH-OD2 3.44Å; D210-Y213 HydrophobicContact CB-CD2 4.43Å; D210-Y213 PolarHBondContact O-N 2.92Å; D210-W214 VanDerWaalsContact N-CD1 3.28Å; D210-W214 PolarHBondContact O-N 3.27Å; D210-W214 VanDerWaalsContact O-N 3.09Å
211A88.3Confident88.5Confident69 Ų6960.6 Ų60.657%0.5733%0.329SS*.THydrogen-bonded Turntrans-69.7144.9163.300000111D215A211-D215 WeakPolarHBondContact CA-OD1 3.16Å; A211-D215 VanDerWaalsContact CB-OD1 3.23Å; A211-D215 WeakPolarHBondContact CB-OD1 3.47Å
212P89.9Confident88.7Confident88 Ų8858.4 Ų58.457%0.57132%0.319SS*.THydrogen-bonded Turncis-91.35.80.837.7-36.4000113.5W214 D215P212-W214 VanDerWaalsContact C-N 3.32Å; P212-W214 PolarHBondContact O-N 2.84Å; P212-D215 WeakPolarHBondContact CA-OD2 3.34Å
213Y89Confident89Confident74 Ų7459.5 Ų59.529%0.2932%0.324SS..THydrogen-bonded Turntrans-72.7-28.5-169.1-49.6-59000113Y187 D210 Q266Y187-Y213 HydrophobicContact CD1-CD2 4.35Å; Y187-Y213 AromaticContact CE1-CD2 3.49Å; Y187-Y213 HydrophobicContact CE1-CD2 3.49Å; Y187-Y213 VanDerWaalsContact CE1-CD2 3.49Å; Y187-Y213 HydrophobicContact CE1-CE2 4.3Å; Y187-Y213 AromaticContact CE1-CG 3.78Å; Y187-Y213 HydrophobicContact CE1-CG 3.78Å; Y187-Y213 AromaticContact CZ-CD2 3.94Å; D210-Y213 HydrophobicContact CB-CD2 4.43Å; D210-Y213 PolarHBondContact O-N 2.92Å; Y213-Q266 HydrophobicContact CD1-CG 4.43Å; Y213-Q266 HydrophobicContact CE1-CG 4.42Å
214W93.1Very high89.3Confident0 Ų059.9 Ų59.90%033%0.326CS..THydrogen-bonded Turntrans-104.82-178-72.593.9000114.3Y181 L184 C185 Y187 F209 D210 P212 D216 I217 K223 I226Y181-W214 AromaticContact CD1-CZ2 3.86Å; Y181-W214 HydrophobicContact CD1-CZ2 3.86Å; Y181-W214 AromaticContact CD2-CH2 3.93Å; Y181-W214 HydrophobicContact CD2-CH2 3.93Å; Y181-W214 AromaticContact CD2-CZ2 3.46Å; Y181-W214 HydrophobicContact CD2-CZ2 3.46Å; Y181-W214 VanDerWaalsContact CD2-CZ2 3.46Å; Y181-W214 AromaticContact CE1-CZ2 3.82Å; Y181-W214 HydrophobicContact CE1-CZ2 3.82Å; Y181-W214 AromaticContact CE2-CE2 3.86Å; Y181-W214 HydrophobicContact CE2-CH2 4.24Å; Y181-W214 AromaticContact CE2-CZ2 3.41Å; Y181-W214 HydrophobicContact CE2-CZ2 3.41Å; Y181-W214 VanDerWaalsContact CE2-CZ2 3.41Å; Y181-W214 HydrophobicContact CG-CH2 4.18Å; Y181-W214 AromaticContact CG-CZ2 3.68Å; Y181-W214 HydrophobicContact CG-CZ2 3.68Å; Y181-W214 AromaticContact CZ-CE2 3.81Å; Y181-W214 AromaticContact CZ-CZ2 3.59Å; Y181-W214 AromaticContact CZ-NE1 3.55Å; Y181-W214 PolarHBondContact OH-NE1 3.46Å; L184-W214 HydrophobicContact CB-CH2 3.79Å; L184-W214 HydrophobicContact CB-CZ3 3.99Å; L184-W214 HydrophobicContact CD1-CH2 4.21Å; L184-W214 HydrophobicContact CD1-CZ3 4.01Å; C185-W214 HydrophobicContact CB-CD2 4.41Å; C185-W214 HydrophobicContact CB-CZ2 3.71Å; Y187-W214 AromaticContact CZ-NE1 3.73Å; Y187-W214 VanDerWaalsContact OH-CD1 3.27Å; Y187-W214 PolarHBondContact OH-NE1 3.03Å; Y187-W214 VanDerWaalsContact OH-NE1 3.16Å; F209-W214 HydrophobicContact CB-CB 4Å; F209-W214 HydrophobicContact CB-CD2 4.02Å; F209-W214 HydrophobicContact CB-CE3 4.46Å; F209-W214 HydrophobicContact CB-CG 3.8Å; F209-W214 AromaticContact CD1-CD2 3.64Å; F209-W214 HydrophobicContact CD1-CD2 3.64Å; F209-W214 AromaticContact CD1-CE2 3.71Å; F209-W214 AromaticContact CD1-CE3 3.64Å; F209-W214 HydrophobicContact CD1-CE3 3.64Å; F209-W214 HydrophobicContact CD1-CG 4.32Å; F209-W214 AromaticContact CD1-CH2 3.85Å; F209-W214 HydrophobicContact CD1-CH2 3.85Å; F209-W214 AromaticContact CD1-CZ2 3.84Å; F209-W214 HydrophobicContact CD1-CZ2 3.84Å; F209-W214 AromaticContact CD1-CZ3 3.73Å; F209-W214 HydrophobicContact CD1-CZ3 3.73Å; F209-W214 HydrophobicContact CE1-CE3 4.32Å; F209-W214 AromaticContact CE1-CH2 3.92Å; F209-W214 HydrophobicContact CE1-CH2 3.92Å; F209-W214 HydrophobicContact CE1-CZ2 4.23Å; F209-W214 AromaticContact CE1-CZ3 3.96Å; F209-W214 HydrophobicContact CE1-CZ3 3.96Å; F209-W214 HydrophobicContact CG-CD2 4.3Å; F209-W214 HydrophobicContact CG-CE3 4.43Å; D210-W214 VanDerWaalsContact N-CD1 3.28Å; D210-W214 PolarHBondContact O-N 3.27Å; D210-W214 VanDerWaalsContact O-N 3.09Å; P212-W214 VanDerWaalsContact C-N 3.32Å; P212-W214 PolarHBondContact O-N 2.84Å; W214-D216 VanDerWaalsContact C-N 3.26Å; W214-D216 PolarHBondContact O-N 3.46Å; W214-I217 HydrophobicContact CE3-CB 3.85Å; W214-I217 HydrophobicContact CE3-CG1 4.03Å; W214-I217 HydrophobicContact CE3-CG2 3.7Å; W214-I217 HydrophobicContact CZ3-CB 4.38Å; W214-I217 HydrophobicContact CZ3-CG2 3.73Å; W214-I217 PolarHBondContact O-N 2.77Å; W214-K223 HydrophobicContact CE3-CD 4.47Å; W214-K223 HydrophobicContact CE3-CG 4.16Å; W214-K223 HydrophobicContact CZ3-CG 4.31Å; W214-K223 WeakPolarHBondContact O-CE 3.2Å; W214-K223 PolarHBondContact O-NZ 3.42Å; W214-I226 HydrophobicContact CH2-CD1 3.59Å; W214-I226 HydrophobicContact CZ3-CD1 4.04Å
215D88.1Confident89.5Confident102 Ų10254.8 Ų54.855%0.54530%0.304SS..THydrogen-bonded Turntrans-68.7-29.5178.9-61.91.6000111.7A211 P212A211-D215 WeakPolarHBondContact CA-OD1 3.16Å; A211-D215 VanDerWaalsContact CB-OD1 3.23Å; A211-D215 WeakPolarHBondContact CB-OD1 3.47Å; P212-D215 WeakPolarHBondContact CA-OD2 3.34Å
216D83.5Confident89.6Confident81 Ų8153.9 Ų53.943%0.43330%0.296SS..THydrogen-bonded Turntrans-94.93.1-177.8-86.8-6.5000113.7W214 K257W214-D216 VanDerWaalsContact C-N 3.26Å; W214-D216 PolarHBondContact O-N 3.46Å; D216-K257 HydrophobicContact CB-CD 4.48Å; D216-K257 VanDerWaalsContact CG-CE 3.49Å; D216-K257 IonicContact OD1-NZ 2.95Å; D216-K257 PolarHBondContact OD1-NZ 3.37Å; D216-K257 WeakPolarHBondContact OD2-CE 3.37Å; D216-K257 IonicContact OD2-NZ 3.7Å; D216-K257 PolarHBondContact OD2-NZ 3.03Å
217I86.9Confident89.7Confident7 Ų752 Ų524%0.03629%0.29CS..SBendtrans-108139.9-176.6-54.6-62.5000110E87 L184 W214 D219 A222 I259E87-I217 HydrophobicContact CG-CD1 4.43Å; E87-I217 WeakPolarHBondContact OE1-CA 3.21Å; L184-I217 HydrophobicContact CB-CD1 4.36Å; L184-I217 HydrophobicContact CB-CG2 4.49Å; L184-I217 HydrophobicContact CD1-CG2 4.03Å; W214-I217 HydrophobicContact CE3-CB 3.85Å; W214-I217 HydrophobicContact CE3-CG1 4.03Å; W214-I217 HydrophobicContact CE3-CG2 3.7Å; W214-I217 HydrophobicContact CZ3-CB 4.38Å; W214-I217 HydrophobicContact CZ3-CG2 3.73Å; W214-I217 PolarHBondContact O-N 2.77Å; I217-D219 PolarHBondContact O-N 2.98Å; I217-A222 HydrophobicContact CG2-CB 3.79Å; I217-I259 HydrophobicContact CD1-CB 4.48Å; I217-I259 HydrophobicContact CD1-CD1 3.7Å; I217-I259 HydrophobicContact CD1-CG2 3.94Å
218S79Confident89.8Confident13 Ų1351.2 Ų51.29%0.09129%0.29CS..  trans-55.3104-17558.40000114E87 S220 A221 A222E87-S218 PolarHBondContact OE1-N 3.37Å; E87-S218 PolarHBondContact OE1-OG 3.16Å; E87-S218 WeakPolarHBondContact OE2-CB 3.49Å; E87-S218 PolarHBondContact OE2-OG 3.42Å; S218-S220 VanDerWaalsContact C-N 3.26Å; S218-S220 PolarHBondContact O-N 2.94Å; S218-A221 PolarHBondContact O-N 3.48Å; S218-A222 PolarHBondContact O-N 3.06Å; S218-A222 VanDerWaalsContact OG-CB 3.3Å; S218-A222 WeakPolarHBondContact OG-CB 3.11Å; S218-A222 PolarHBondContact OG-N 3.46Å
219D68.9Low90Very high120 Ų12045 Ų4564%0.64226%0.261SS*.THydrogen-bonded Turntrans-53.4-39.1-177.5-84.2-31000113.9I217 K223I217-D219 PolarHBondContact O-N 2.98Å; D219-K223 WeakPolarHBondContact OD1-CE 3.41Å; D219-K223 IonicContact OD1-NZ 3.3Å; D219-K223 PolarHBondContact OD1-NZ 3.29Å
220S73.8Confident90.1Very high104 Ų10442.6 Ų42.673%0.72725%0.25SS*.THydrogen-bonded Turntrans-95.1-13.6-170.761.10000115.2S218S218-S220 VanDerWaalsContact C-N 3.26Å; S218-S220 PolarHBondContact O-N 2.94Å
221A87.8Confident90.5Very high3 Ų342.8 Ų42.83%0.02525%0.249CC..THydrogen-bonded Turntrans-122.1-55.9-170.400000112.6S218 F225 H246 W248 T253S218-A221 PolarHBondContact O-N 3.48Å; A221-F225 VanDerWaalsContact O-CB 3.26Å; A221-F225 WeakPolarHBondContact O-CB 3.38Å; A221-F225 PolarHBondContact O-N 3.1Å; A221-H246 WeakPolarHBondContact CA-CE1 3.37Å; A221-H246 PolarHBondContact O-CE1 2.85Å; A221-W248 HydrophobicContact CB-CB 4.24Å; A221-T253 WeakPolarHBondContact CB-OG1 3.45Å
222A94.1Very high90.8Very high0 Ų044.3 Ų44.30%024%0.243CC..Hα-helixtrans-66.7-45.6178.600000112.2L184 I217 S218 F225 I226L184-A222 HydrophobicContact CD1-CB 3.66Å; I217-A222 HydrophobicContact CG2-CB 3.79Å; S218-A222 PolarHBondContact O-N 3.06Å; S218-A222 VanDerWaalsContact OG-CB 3.3Å; S218-A222 WeakPolarHBondContact OG-CB 3.11Å; S218-A222 PolarHBondContact OG-N 3.46Å; A222-F225 PolarHBondContact O-N 2.77Å; A222-I226 WeakPolarHBondContact O-CG1 3.37Å; A222-I226 PolarHBondContact O-N 3.14Å
223K95.5Very high91Very high24 Ų2442.5 Ų42.510%0.10423%0.229CC..Hα-helixtrans-67.5-39.5-178.5-57.9-174.7-172.8174.90111.6F209 W214 D219 I226 S227F209-K223 HydrophobicContact CB-CD 4Å; F209-K223 HydrophobicContact CD1-CB 4.48Å; F209-K223 HydrophobicContact CD1-CD 4.25Å; F209-K223 HydrophobicContact CD1-CG 4.01Å; F209-K223 HydrophobicContact CD2-CB 4.15Å; F209-K223 HydrophobicContact CD2-CD 4.01Å; F209-K223 HydrophobicContact CD2-CG 4.2Å; F209-K223 HydrophobicContact CE1-CB 4.15Å; F209-K223 HydrophobicContact CE1-CG 4.09Å; F209-K223 HydrophobicContact CE2-CB 3.8Å; F209-K223 HydrophobicContact CE2-CG 4.29Å; F209-K223 HydrophobicContact CG-CB 4.47Å; F209-K223 HydrophobicContact CG-CD 3.84Å; F209-K223 HydrophobicContact CG-CG 4.06Å; F209-K223 HydrophobicContact CZ-CB 3.79Å; F209-K223 HydrophobicContact CZ-CG 4.23Å; W214-K223 HydrophobicContact CE3-CD 4.47Å; W214-K223 HydrophobicContact CE3-CG 4.16Å; W214-K223 HydrophobicContact CZ3-CG 4.31Å; W214-K223 WeakPolarHBondContact O-CE 3.2Å; W214-K223 PolarHBondContact O-NZ 3.42Å; D219-K223 WeakPolarHBondContact OD1-CE 3.41Å; D219-K223 IonicContact OD1-NZ 3.3Å; D219-K223 PolarHBondContact OD1-NZ 3.29Å; K223-I226 PolarHBondContact O-N 3.07Å; K223-S227 WeakPolarHBondContact O-CB 3.4Å; K223-S227 PolarHBondContact O-N 2.92Å; K223-S227 PolarHBondContact O-OG 3.18Å
224D96.6Very high91.2Very high74 Ų7441.5 Ų41.540%0.39623%0.231SC..Hα-helixtrans-65.1-45.6175.3-178.467.1000112.1I226 S227 C228 H246D224-I226 PolarHBondContact O-N 2.81Å; D224-S227 PolarHBondContact O-N 3.08Å; D224-C228 WeakPolarHBondContact O-CB 3.39Å; D224-C228 PolarHBondContact O-N 3.37Å; D224-C228 PolarHBondContact O-SG 3.3Å; D224-C228 VanDerWaalsContact O-SG 3.32Å; D224-H246 WeakPolarHBondContact CB-NE2 3.43Å; D224-H246 IonicContact OD1-NE2 2.81Å; D224-H246 IonicContact OD2-CD2 2.61Å; D224-H246 IonicContact OD2-CE1 3.62Å; D224-H246 CovalentContact OD2-NE2 1.76Å; D224-H246 IonicContact OD2-NE2 3.48Å; D224-H246 PolarHBondContact OD2-NE2 3.12Å
225F98.1Very high91.2Very high1 Ų146.3 Ų46.30%0.00427%0.265CS..Hα-helixtrans-55.8-48.3174.5174.4-99.3000112.2I94 L98 A180 A221 A222 C228 L229 A243 H246 W248 I249I94-F225 HydrophobicContact CG2-CE1 3.8Å; I94-F225 HydrophobicContact CG2-CZ 3.58Å; L98-F225 HydrophobicContact CD1-CE2 4.26Å; L98-F225 HydrophobicContact CD1-CZ 4.04Å; A180-F225 HydrophobicContact CB-CE1 4.08Å; A221-F225 VanDerWaalsContact O-CB 3.26Å; A221-F225 WeakPolarHBondContact O-CB 3.38Å; A221-F225 PolarHBondContact O-N 3.1Å; A222-F225 PolarHBondContact O-N 2.77Å; F225-C228 PolarHBondContact O-N 3.14Å; F225-L229 HydrophobicContact CD1-CD1 4.29Å; F225-L229 HydrophobicContact CE1-CD1 3.54Å; F225-L229 HydrophobicContact CE2-CD1 4.07Å; F225-L229 HydrophobicContact CZ-CD1 3.41Å; F225-L229 VanDerWaalsContact CZ-CD1 3.41Å; F225-L229 HydrophobicContact CZ-CG 4.44Å; F225-L229 PolarHBondContact O-N 2.92Å; F225-A243 HydrophobicContact CE2-CB 3.95Å; F225-H246 HydrophobicContact CD2-CB 3.8Å; F225-H246 AromaticContact CD2-CG 3.7Å; F225-H246 AromaticContact CD2-ND1 3.84Å; F225-H246 HydrophobicContact CE2-CB 4.33Å; F225-H246 PolarHBondContact N-NE2 3.16Å; F225-W248 HydrophobicContact CB-CB 4.16Å; F225-W248 HydrophobicContact CB-CE3 4.23Å; F225-W248 HydrophobicContact CB-CG 4.5Å; F225-W248 HydrophobicContact CD1-CD2 4.37Å; F225-W248 AromaticContact CD1-CE3 3.42Å; F225-W248 HydrophobicContact CD1-CE3 3.42Å; F225-W248 VanDerWaalsContact CD1-CE3 3.42Å; F225-W248 AromaticContact CD1-CZ3 3.63Å; F225-W248 HydrophobicContact CD1-CZ3 3.63Å; F225-W248 HydrophobicContact CD2-CE3 4.2Å; F225-W248 AromaticContact CE1-CE3 3.74Å; F225-W248 HydrophobicContact CE1-CE3 3.74Å; F225-W248 AromaticContact CE1-CZ3 3.6Å; F225-W248 HydrophobicContact CE1-CZ3 3.6Å; F225-W248 HydrophobicContact CE2-CE3 4.45Å; F225-W248 HydrophobicContact CG-CD2 4.41Å; F225-W248 AromaticContact CG-CE3 3.67Å; F225-W248 HydrophobicContact CG-CE3 3.67Å; F225-W248 HydrophobicContact CG-CZ3 4.35Å; F225-W248 HydrophobicContact CZ-CE3 4.25Å; F225-W248 HydrophobicContact CZ-CZ3 4.28Å; F225-I249 HydrophobicContact CD2-CG1 3.98Å; F225-I249 HydrophobicContact CE1-CD1 4.46Å; F225-I249 HydrophobicContact CE2-CD1 3.99Å; F225-I249 HydrophobicContact CE2-CG1 3.4Å; F225-I249 VanDerWaalsContact CE2-CG1 3.4Å; F225-I249 HydrophobicContact CZ-CD1 3.88Å; F225-I249 HydrophobicContact CZ-CG1 3.83Å
226I98.1Very high91.6Very high0 Ų047.7 Ų47.70%027%0.266CS..Hα-helixtrans-62.4-44.7177.2-71.6167.2000110.4A180 Y181 L184 Y207 F209 W214 A222 K223 D224 C228 L229 M230A180-I226 HydrophobicContact CB-CG1 4.07Å; Y181-I226 HydrophobicContact CD2-CG2 4.26Å; L184-I226 HydrophobicContact CD1-CD1 3.99Å; Y207-I226 HydrophobicContact CE2-CG2 4.4Å; F209-I226 HydrophobicContact CE1-CB 4.37Å; F209-I226 HydrophobicContact CE1-CD1 4.28Å; F209-I226 HydrophobicContact CE1-CG2 4.11Å; F209-I226 HydrophobicContact CZ-CB 4.27Å; F209-I226 HydrophobicContact CZ-CG2 4.07Å; W214-I226 HydrophobicContact CH2-CD1 3.59Å; W214-I226 HydrophobicContact CZ3-CD1 4.04Å; A222-I226 WeakPolarHBondContact O-CG1 3.37Å; A222-I226 PolarHBondContact O-N 3.14Å; K223-I226 PolarHBondContact O-N 3.07Å; D224-I226 PolarHBondContact O-N 2.81Å; I226-C228 VanDerWaalsContact C-N 3.31Å; I226-C228 PolarHBondContact O-N 3.47Å; I226-L229 CarbonylContact O-C 3.52Å; I226-L229 PolarHBondContact O-N 3.43Å; I226-L229 VanDerWaalsContact O-N 3.08Å; I226-M230 HydrophobicContact CG2-CG 4.24Å; I226-M230 HydrophobicContact CG2-SD 3.6Å; I226-M230 VanDerWaalsContact CG2-SD 3.6Å; I226-M230 WeakPolarHBondContact O-CB 3.4Å; I226-M230 PolarHBondContact O-N 2.98Å
227S97.7Very high92.3Very high44 Ų4444.1 Ų44.131%0.30825%0.246SC..Hα-helixtrans-62.2-37.5-179.8-58.60000112.5Y207 K223 D224 L229 M230 E231Y207-S227 WeakPolarHBondContact OH-CA 3.42Å; K223-S227 WeakPolarHBondContact O-CB 3.4Å; K223-S227 PolarHBondContact O-N 2.92Å; K223-S227 PolarHBondContact O-OG 3.18Å; D224-S227 PolarHBondContact O-N 3.08Å; S227-L229 VanDerWaalsContact C-N 3.31Å; S227-L229 PolarHBondContact O-N 3.01Å; S227-M230 CarbonylContact O-C 3.49Å; S227-E231 PolarHBondContact O-N 2.93Å; S227-E231 VanDerWaalsContact O-N 3.1Å
228C97.9Very high92.9Very high25 Ų2546.4 Ų46.417%0.16926%0.256CS..Hα-helixtrans-66.3-28.7175-73.10000113.5D224 F225 I226 F238D224-C228 WeakPolarHBondContact O-CB 3.39Å; D224-C228 PolarHBondContact O-N 3.37Å; D224-C228 PolarHBondContact O-SG 3.3Å; D224-C228 VanDerWaalsContact O-SG 3.32Å; F225-C228 PolarHBondContact O-N 3.14Å; I226-C228 VanDerWaalsContact C-N 3.31Å; I226-C228 PolarHBondContact O-N 3.47Å; C228-F238 HydrophobicContact CB-CB 4.37Å; C228-F238 HydrophobicContact CB-CD1 3.8Å; C228-F238 HydrophobicContact CB-CD2 3.86Å; C228-F238 HydrophobicContact CB-CE1 3.98Å; C228-F238 HydrophobicContact CB-CE2 4.05Å; C228-F238 HydrophobicContact CB-CG 3.75Å; C228-F238 HydrophobicContact CB-CZ 4.1Å; C228-F238 PolarHBondContact O-N 2.62Å
229L98.3Very high93.8Very high0 Ų048.9 Ų48.90%027%0.271CS..Hα-helixtrans-89.8-32175.8-72.7178.6000113.3C173 W174 I176 F225 I226 S227 E231 R237 F238 A243C173-L229 HydrophobicContact CB-CD2 3.88Å; W174-L229 WeakPolarHBondContact CA-O 3.43Å; I176-L229 HydrophobicContact CB-CD1 4.43Å; I176-L229 HydrophobicContact CG2-CD1 3.94Å; F225-L229 HydrophobicContact CD1-CD1 4.29Å; F225-L229 HydrophobicContact CE1-CD1 3.54Å; F225-L229 HydrophobicContact CE2-CD1 4.07Å; F225-L229 HydrophobicContact CZ-CD1 3.41Å; F225-L229 VanDerWaalsContact CZ-CD1 3.41Å; F225-L229 HydrophobicContact CZ-CG 4.44Å; F225-L229 PolarHBondContact O-N 2.92Å; I226-L229 CarbonylContact O-C 3.52Å; I226-L229 PolarHBondContact O-N 3.43Å; I226-L229 VanDerWaalsContact O-N 3.08Å; S227-L229 VanDerWaalsContact C-N 3.31Å; S227-L229 PolarHBondContact O-N 3.01Å; L229-E231 VanDerWaalsContact C-N 3.3Å; L229-R237 WeakPolarHBondContact O-CD 3.41Å; L229-R237 WeakPolarHBondContact O-CG 3.45Å; L229-F238 HydrophobicContact CD2-CB 4.15Å; L229-A243 HydrophobicContact CD2-CB 4.03Å
230M97.8Very high95.2Very high2 Ų243.2 Ų43.21%0.0124%0.241CC..SBendtrans-95.824.8177.5-65.6-179.252.500112.4W174 G177 V178 P189 F190 Y207 I226 S227W174-M230 HydrophobicContact CE3-CB 4.35Å; W174-M230 HydrophobicContact CZ3-CB 4.24Å; W174-M230 WeakPolarHBondContact CZ3-O 3.36Å; G177-M230 VanDerWaalsContact C-SD 3.56Å; V178-M230 HydrophobicContact CG2-CE 4.21Å; V178-M230 HydrophobicContact CG2-SD 4.11Å; P189-M230 HydrophobicContact CB-CE 3.82Å; P189-M230 HydrophobicContact CG-CE 3.72Å; P189-M230 HydrophobicContact CG-SD 4.33Å; F190-M230 HydrophobicContact CE1-CE 4.48Å; F190-M230 HydrophobicContact CE2-CE 3.49Å; F190-M230 VanDerWaalsContact CE2-CE 3.49Å; F190-M230 HydrophobicContact CZ-CE 3.44Å; F190-M230 VanDerWaalsContact CZ-CE 3.44Å; Y207-M230 HydrophobicContact CD1-CE 3.64Å; Y207-M230 HydrophobicContact CD2-CE 4.04Å; Y207-M230 HydrophobicContact CE1-CB 3.92Å; Y207-M230 HydrophobicContact CE1-CE 3.76Å; Y207-M230 HydrophobicContact CE2-CE 4.15Å; Y207-M230 HydrophobicContact CG-CE 3.8Å; I226-M230 HydrophobicContact CG2-CG 4.24Å; I226-M230 HydrophobicContact CG2-SD 3.6Å; I226-M230 VanDerWaalsContact CG2-SD 3.6Å; I226-M230 WeakPolarHBondContact O-CB 3.4Å; I226-M230 PolarHBondContact O-N 2.98Å; S227-M230 CarbonylContact O-C 3.49Å
231E97.6Very high96.4Very high67 Ų6743 Ų4331%0.31323%0.228SC..  trans-67131.8168.4167.456.5-10200109.9S227 L229 D233 K236 R237S227-E231 PolarHBondContact O-N 2.93Å; S227-E231 VanDerWaalsContact O-N 3.1Å; L229-E231 VanDerWaalsContact C-N 3.3Å; E231-D233 HydrophobicContact CG-CB 4.38Å; E231-D233 PolarHBondContact OE1-N 3.21Å; E231-K236 HydrophobicContact CG-CB 3.77Å; E231-R237 HydrophobicContact CB-CB 4.14Å; E231-R237 HydrophobicContact CB-CG 4.42Å; E231-R237 HydrophobicContact CG-CB 4.36Å; E231-R237 VanDerWaalsContact O-CZ 3.31Å; E231-R237 PolarHBondContact O-NE 3.27Å; E231-R237 PolarHBondContact O-NH2 3.43Å
232K95.4Very high96.9Very high101 Ų10146.5 Ų46.544%0.43924%0.244SC..SBendtrans-67-36.5-177.3176.5169168.6162.70112.7L203 A205 P234 R237L203-K232 WeakPolarHBondContact O-CE 3.38Å; L203-K232 PolarHBondContact O-NZ 2.93Å; A205-K232 HydrophobicContact CB-CB 3.86Å; K232-P234 VanDerWaalsContact O-CD 3.27Å; K232-P234 WeakPolarHBondContact O-CD 3.32Å; K232-R237 PolarHBondContact O-NH2 2.71Å
233D94.3Very high97.1Very high51 Ų5146.5 Ų46.527%0.27324%0.244SC..SBendtrans-83.6106.5179.3-173.6-17.1000110.4E231 S235 K236 R237E231-D233 HydrophobicContact CG-CB 4.38Å; E231-D233 PolarHBondContact OE1-N 3.21Å; D233-S235 VanDerWaalsContact CG-OG 3.29Å; D233-S235 PolarHBondContact O-N 3.46Å; D233-S235 WeakPolarHBondContact OD1-CB 3.34Å; D233-S235 PolarHBondContact OD1-N 3Å; D233-S235 PolarHBondContact OD1-OG 3.1Å; D233-S235 PolarHBondContact OD2-OG 2.84Å; D233-K236 HydrophobicContact CB-CB 4.27Å; D233-K236 HydrophobicContact CB-CD 4Å; D233-K236 HydrophobicContact CB-CG 4.18Å; D233-K236 PolarHBondContact O-N 2.61Å; D233-K236 WeakPolarHBondContact OD2-CE 3.32Å; D233-K236 IonicContact OD2-NZ 2.63Å; D233-K236 PolarHBondContact OD2-NZ 2.93Å; D233-K236 VanDerWaalsContact OD2-NZ 3.13Å; D233-R237 PolarHBondContact O-N 3.13Å
234P93.1Very high97.2Very high53 Ų5346.8 Ų46.834%0.34425%0.246SC..THydrogen-bonded Turntrans-65.4-9.3-176.928.5-35.9000113.6A170 K232A170-P234 HydrophobicContact CB-CB 3.81Å; K232-P234 VanDerWaalsContact O-CD 3.27Å; K232-P234 WeakPolarHBondContact O-CD 3.32Å
235S93.4Very high97.3Very high100 Ų10051.1 Ų51.170%0.69926%0.257SS*.THydrogen-bonded Turntrans-83.4-18.5171.773.10000113.9D233D233-S235 VanDerWaalsContact CG-OG 3.29Å; D233-S235 PolarHBondContact O-N 3.46Å; D233-S235 WeakPolarHBondContact OD1-CB 3.34Å; D233-S235 PolarHBondContact OD1-N 3Å; D233-S235 PolarHBondContact OD1-OG 3.1Å; D233-S235 PolarHBondContact OD2-OG 2.84Å
236K96.8Very high97.3Very high131 Ų13151.8 Ų51.857%0.5726%0.26SS*.THydrogen-bonded Turntrans-104-27.2177.3-62.5176.6-168.71510112.7E231 D233 F238E231-K236 HydrophobicContact CG-CB 3.77Å; D233-K236 HydrophobicContact CB-CB 4.27Å; D233-K236 HydrophobicContact CB-CD 4Å; D233-K236 HydrophobicContact CB-CG 4.18Å; D233-K236 PolarHBondContact O-N 2.61Å; D233-K236 WeakPolarHBondContact OD2-CE 3.32Å; D233-K236 IonicContact OD2-NZ 2.63Å; D233-K236 PolarHBondContact OD2-NZ 2.93Å; D233-K236 VanDerWaalsContact OD2-NZ 3.13Å; K236-F238 PolarHBondContact O-N 2.85Å
237R97.9Very high97.2Very high7 Ų755.1 Ų55.13%0.02628%0.282CS..SBendtrans-53134.9175.8-167.9-176.1-60.21488.8111E160 A170 C173 L229 E231 K232 D233 T239E160-R237 IonicContact OE1-CZ 2.66Å; E160-R237 IonicContact OE1-NH1 2.81Å; E160-R237 PolarHBondContact OE1-NH1 3.13Å; E160-R237 IonicContact OE1-NH2 2.98Å; E160-R237 IonicContact OE2-CZ 2.97Å; E160-R237 IonicContact OE2-NH1 3.85Å; E160-R237 IonicContact OE2-NH2 3.73Å; E160-R237 PolarHBondContact OE2-NH2 3.18Å; A170-R237 WeakPolarHBondContact O-CD 3.49Å; A170-R237 PolarHBondContact O-NH1 3.36Å; C173-R237 HydrophobicContact CB-CG 4.41Å; L229-R237 WeakPolarHBondContact O-CD 3.41Å; L229-R237 WeakPolarHBondContact O-CG 3.45Å; E231-R237 HydrophobicContact CB-CB 4.14Å; E231-R237 HydrophobicContact CB-CG 4.42Å; E231-R237 HydrophobicContact CG-CB 4.36Å; E231-R237 VanDerWaalsContact O-CZ 3.31Å; E231-R237 PolarHBondContact O-NE 3.27Å; E231-R237 PolarHBondContact O-NH2 3.43Å; K232-R237 PolarHBondContact O-NH2 2.71Å; D233-R237 PolarHBondContact O-N 3.13Å; R237-T239 PolarHBondContact O-N 3.14Å
238F98.4Very high97.2Very high54 Ų5453 Ų5324%0.23727%0.267CS..PPolyproline II helixtrans-61.2135.1-179.6-88.428.1000111.8C173 C228 L229 K236 Q242C173-F238 WeakPolarHBondContact CB-O 3.34Å; C173-F238 PolarHBondContact SG-O 3.04Å; C228-F238 HydrophobicContact CB-CB 4.37Å; C228-F238 HydrophobicContact CB-CD1 3.8Å; C228-F238 HydrophobicContact CB-CD2 3.86Å; C228-F238 HydrophobicContact CB-CE1 3.98Å; C228-F238 HydrophobicContact CB-CE2 4.05Å; C228-F238 HydrophobicContact CB-CG 3.75Å; C228-F238 HydrophobicContact CB-CZ 4.1Å; C228-F238 PolarHBondContact O-N 2.62Å; L229-F238 HydrophobicContact CD2-CB 4.15Å; K236-F238 PolarHBondContact O-N 2.85Å; F238-Q242 HydrophobicContact CB-CB 4.05Å; F238-Q242 HydrophobicContact CD1-CB 4.38Å; F238-Q242 HydrophobicContact CD2-CB 3.66Å; F238-Q242 HydrophobicContact CE2-CB 4.17Å; F238-Q242 HydrophobicContact CG-CB 3.77Å
239T98.4Very high97.1Very high66 Ų6652 Ų5241%0.40526%0.26SS..PPolyproline II helixtrans-70.9162.2162.868.50000110.3R237 E241 Q242 A243R237-T239 PolarHBondContact O-N 3.14Å; T239-E241 PolarHBondContact O-N 3.23Å; T239-Q242 PolarHBondContact O-N 3.45Å; T239-Q242 PolarHBondContact OG1-N 3.27Å; T239-Q242 PolarHBondContact OG1-OE1 3.06Å; T239-A243 PolarHBondContact O-N 3.32Å
240C98.3Very high97Very high1 Ų155.5 Ų55.51%0.00729%0.289CS..Hα-helixtrans-57.5-34.1175.3-66.70000112.2L98 V101 N102 A243 L244L98-C240 HydrophobicContact CD2-CB 4.07Å; V101-C240 VanDerWaalsContact CG1-SG 3.56Å; N102-C240 HydrophobicContact CB-CB 3.77Å; C240-A243 PolarHBondContact O-N 3.36Å; C240-L244 WeakPolarHBondContact O-CB 3.4Å; C240-L244 WeakPolarHBondContact O-CD1 3.29Å; C240-L244 WeakPolarHBondContact O-CG 3.34Å; C240-L244 PolarHBondContact O-N 3.43Å
241E98.1Very high96.6Very high100 Ų10056.5 Ų56.547%0.46730%0.3SS..Hα-helixtrans-71.3-27175.9-176.5172.9-123.400113.8T239 R245T239-E241 PolarHBondContact O-N 3.23Å; E241-R245 PolarHBondContact O-NE 2.87Å; E241-R245 PolarHBondContact O-NH2 2.85Å
242Q98.4Very high96.1Very high75 Ų7560.2 Ų60.235%0.3532%0.322SS..Hα-helixtrans-75.9-45.2169.7-71.2166.7-59.900110.6F238 T239 L244 R245 H246F238-Q242 HydrophobicContact CB-CB 4.05Å; F238-Q242 HydrophobicContact CD1-CB 4.38Å; F238-Q242 HydrophobicContact CD2-CB 3.66Å; F238-Q242 HydrophobicContact CE2-CB 4.17Å; F238-Q242 HydrophobicContact CG-CB 3.77Å; T239-Q242 PolarHBondContact O-N 3.45Å; T239-Q242 PolarHBondContact OG1-N 3.27Å; T239-Q242 PolarHBondContact OG1-OE1 3.06Å; Q242-L244 PolarHBondContact O-N 3.16Å; Q242-R245 PolarHBondContact O-N 3.26Å; Q242-H246 PolarHBondContact O-N 3.28Å
243A98.5Very high95.9Very high0 Ų058 Ų580%032%0.317CS..Hα-helixtrans-61.9-38.9178.800000113.1L98 F225 L229 T239 C240 R245 H246L98-A243 HydrophobicContact CD1-CB 3.87Å; L98-A243 HydrophobicContact CD2-CB 3.68Å; L98-A243 HydrophobicContact CG-CB 4.46Å; F225-A243 HydrophobicContact CE2-CB 3.95Å; L229-A243 HydrophobicContact CD2-CB 4.03Å; T239-A243 PolarHBondContact O-N 3.32Å; C240-A243 PolarHBondContact O-N 3.36Å; A243-R245 PolarHBondContact O-N 2.95Å; A243-H246 VanDerWaalsContact O-CB 3.25Å; A243-H246 WeakPolarHBondContact O-CB 3.4Å; A243-H246 PolarHBondContact O-N 3.2Å
244L98.4Very high95.9Very high30 Ų3055.9 Ų55.916%0.15731%0.307CS..THydrogen-bonded Turntrans-62.5-20.9173.9-77.4166.5000114R95 L98 D99 N102 C240 Q242 I249R95-L244 HydrophobicContact CG-CD2 4.11Å; L98-L244 HydrophobicContact CB-CD1 4.45Å; L98-L244 HydrophobicContact CB-CD2 3.59Å; L98-L244 HydrophobicContact CB-CG 3.82Å; L98-L244 HydrophobicContact CD1-CD2 4.17Å; L98-L244 HydrophobicContact CD1-CG 4.31Å; D99-L244 WeakPolarHBondContact OD1-CD1 3.35Å; D99-L244 VanDerWaalsContact OD1-CD2 3.32Å; D99-L244 WeakPolarHBondContact OD1-CD2 3.45Å; N102-L244 HydrophobicContact CB-CD1 4.11Å; N102-L244 WeakPolarHBondContact ND2-CD1 3.3Å; C240-L244 WeakPolarHBondContact O-CB 3.4Å; C240-L244 WeakPolarHBondContact O-CD1 3.29Å; C240-L244 WeakPolarHBondContact O-CG 3.34Å; C240-L244 PolarHBondContact O-N 3.43Å; Q242-L244 PolarHBondContact O-N 3.16Å; L244-I249 HydrophobicContact CD2-CG2 4.34Å
245R98.1Very high95.8Very high165 Ų16556.8 Ų56.862%0.62331%0.308SS*.THydrogen-bonded Turntrans-96.7-2.4176.2-71.3178.1-73.7165.9-5.8113.2E241 Q242 A243E241-R245 PolarHBondContact O-NE 2.87Å; E241-R245 PolarHBondContact O-NH2 2.85Å; Q242-R245 PolarHBondContact O-N 3.26Å; A243-R245 PolarHBondContact O-N 2.95Å
246H98.1Very high95.7Very high15 Ų1556.6 Ų56.67%0.06931%0.306CS..SBendtrans-67.1140.3-179.5-170.7-81.7000110.7A221 D224 F225 Q242 A243 W248 I249 A250A221-H246 WeakPolarHBondContact CA-CE1 3.37Å; A221-H246 PolarHBondContact O-CE1 2.85Å; D224-H246 WeakPolarHBondContact CB-NE2 3.43Å; D224-H246 IonicContact OD1-NE2 2.81Å; D224-H246 IonicContact OD2-CD2 2.61Å; D224-H246 IonicContact OD2-CE1 3.62Å; D224-H246 CovalentContact OD2-NE2 1.76Å; D224-H246 IonicContact OD2-NE2 3.48Å; D224-H246 PolarHBondContact OD2-NE2 3.12Å; F225-H246 HydrophobicContact CD2-CB 3.8Å; F225-H246 AromaticContact CD2-CG 3.7Å; F225-H246 AromaticContact CD2-ND1 3.84Å; F225-H246 HydrophobicContact CE2-CB 4.33Å; F225-H246 PolarHBondContact N-NE2 3.16Å; Q242-H246 PolarHBondContact O-N 3.28Å; A243-H246 VanDerWaalsContact O-CB 3.25Å; A243-H246 WeakPolarHBondContact O-CB 3.4Å; A243-H246 PolarHBondContact O-N 3.2Å; H246-W248 WeakPolarHBondContact ND1-CB 3.46Å; H246-W248 PolarHBondContact ND1-N 2.83Å; H246-W248 PolarHBondContact O-N 2.83Å; H246-W248 VanDerWaalsContact O-N 3.09Å; H246-I249 PolarHBondContact O-N 3.26Å; H246-A250 PolarHBondContact O-N 3.43Å
247P96.1Very high95.5Very high70 Ų7054.8 Ų54.846%0.45530%0.298SS..Hα-helixtrans-52.3-32.8-179.1-30.336.3000115.1I249 G251 T253P247-I249 VanDerWaalsContact C-N 3.27Å; P247-I249 PolarHBondContact O-N 2.98Å; P247-G251 CarbonylContact O-C 3.59Å; P247-G251 WeakPolarHBondContact O-CA 3.36Å; P247-G251 PolarHBondContact O-N 3.46Å; P247-T253 VanDerWaalsContact C-OG1 3.24Å; P247-T253 HydrophobicContact CB-CG2 4.07Å; P247-T253 PolarHBondContact O-OG1 3.19Å; P247-T253 VanDerWaalsContact O-OG1 3.12Å
248W97.1Very high95.3Very high1 Ų158 Ų580%0.00432%0.316CS..Hα-helixtrans-68.9-22.6177.9-170.174.4000113.5E87 A90 S91 I94 L184 A221 F225 H246 T253 A254E87-W248 PolarHBondContact OE2-NE1 3.49Å; A90-W248 HydrophobicContact CB-CH2 4.12Å; A90-W248 HydrophobicContact CB-CZ2 4.17Å; S91-W248 WeakPolarHBondContact CB-O 3.4Å; S91-W248 PolarHBondContact OG-O 3.24Å; I94-W248 HydrophobicContact CB-CZ3 4.22Å; I94-W248 HydrophobicContact CG1-CH2 4.45Å; I94-W248 HydrophobicContact CG1-CZ3 4.34Å; I94-W248 HydrophobicContact CG2-CZ3 4.31Å; L184-W248 HydrophobicContact CD1-CH2 4.47Å; L184-W248 HydrophobicContact CD1-CZ2 4.01Å; L184-W248 HydrophobicContact CD2-CZ2 4.12Å; L184-W248 HydrophobicContact CG-CZ2 4.45Å; A221-W248 HydrophobicContact CB-CB 4.24Å; F225-W248 HydrophobicContact CB-CB 4.16Å; F225-W248 HydrophobicContact CB-CE3 4.23Å; F225-W248 HydrophobicContact CB-CG 4.5Å; F225-W248 HydrophobicContact CD1-CD2 4.37Å; F225-W248 AromaticContact CD1-CE3 3.42Å; F225-W248 HydrophobicContact CD1-CE3 3.42Å; F225-W248 VanDerWaalsContact CD1-CE3 3.42Å; F225-W248 AromaticContact CD1-CZ3 3.63Å; F225-W248 HydrophobicContact CD1-CZ3 3.63Å; F225-W248 HydrophobicContact CD2-CE3 4.2Å; F225-W248 AromaticContact CE1-CE3 3.74Å; F225-W248 HydrophobicContact CE1-CE3 3.74Å; F225-W248 AromaticContact CE1-CZ3 3.6Å; F225-W248 HydrophobicContact CE1-CZ3 3.6Å; F225-W248 HydrophobicContact CE2-CE3 4.45Å; F225-W248 HydrophobicContact CG-CD2 4.41Å; F225-W248 AromaticContact CG-CE3 3.67Å; F225-W248 HydrophobicContact CG-CE3 3.67Å; F225-W248 HydrophobicContact CG-CZ3 4.35Å; F225-W248 HydrophobicContact CZ-CE3 4.25Å; F225-W248 HydrophobicContact CZ-CZ3 4.28Å; H246-W248 WeakPolarHBondContact ND1-CB 3.46Å; H246-W248 PolarHBondContact ND1-N 2.83Å; H246-W248 PolarHBondContact O-N 2.83Å; H246-W248 VanDerWaalsContact O-N 3.09Å; W248-T253 WeakPolarHBondContact CA-OG1 3.31Å; W248-T253 PolarHBondContact N-OG1 3.23Å; W248-A254 HydrophobicContact CG-CB 4.46Å
249I97.5Very high95.1Very high4 Ų455.9 Ų55.92%0.02131%0.307CS..Hα-helixtrans-101-45.4179.4-62.8-61.7000112.4I94 R95 L98 F225 L244 H246 P247I94-I249 HydrophobicContact CB-CD1 4.14Å; I94-I249 HydrophobicContact CG2-CD1 3.76Å; R95-I249 HydrophobicContact CB-CG2 3.93Å; R95-I249 HydrophobicContact CG-CG2 3.89Å; R95-I249 PolarHBondContact NH1-O 2.8Å; L98-I249 HydrophobicContact CD1-CD1 4.25Å; L98-I249 HydrophobicContact CD1-CG1 4.1Å; L98-I249 HydrophobicContact CD1-CG2 4.41Å; F225-I249 HydrophobicContact CD2-CG1 3.98Å; F225-I249 HydrophobicContact CE1-CD1 4.46Å; F225-I249 HydrophobicContact CE2-CD1 3.99Å; F225-I249 HydrophobicContact CE2-CG1 3.4Å; F225-I249 VanDerWaalsContact CE2-CG1 3.4Å; F225-I249 HydrophobicContact CZ-CD1 3.88Å; F225-I249 HydrophobicContact CZ-CG1 3.83Å; L244-I249 HydrophobicContact CD2-CG2 4.34Å; H246-I249 PolarHBondContact O-N 3.26Å; P247-I249 VanDerWaalsContact C-N 3.27Å; P247-I249 PolarHBondContact O-N 2.98Å
250A94.9Very high94.9Very high72 Ų7253.7 Ų53.760%0.59529%0.292SS*.Hα-helixtrans-95.9-16.4-173.100000114.4H246H246-A250 PolarHBondContact O-N 3.43Å
251G89.9Confident94.6Very high24 Ų2459.5 Ų59.525%0.24732%0.319CS..SBendtrans-115.4-162-178.300000113.6K88 P247K88-G251 PolarHBondContact NZ-O 3.5Å; K88-G251 VanDerWaalsContact NZ-O 3.16Å; P247-G251 CarbonylContact O-C 3.59Å; P247-G251 WeakPolarHBondContact O-CA 3.36Å; P247-G251 PolarHBondContact O-N 3.46Å
252D87.1Confident94.4Very high145 Ų14556.7 Ų56.778%0.77531%0.31SS*.SBendtrans-111.127.9-175.3-65-49.2000113.2K88K88-D252 IonicContact NZ-OD1 2.68Å; K88-D252 PolarHBondContact NZ-OD1 3.19Å
253T92.1Very high94.1Very high55 Ų5553.2 Ų53.234%0.33729%0.294SS..  trans-85.1-14.6177.461.10000113.9A221 P247 W248A221-T253 WeakPolarHBondContact CB-OG1 3.45Å; P247-T253 VanDerWaalsContact C-OG1 3.24Å; P247-T253 HydrophobicContact CB-CG2 4.07Å; P247-T253 PolarHBondContact O-OG1 3.19Å; P247-T253 VanDerWaalsContact O-OG1 3.12Å; W248-T253 WeakPolarHBondContact CA-OG1 3.31Å; W248-T253 PolarHBondContact N-OG1 3.23Å
254A92.8Very high93.8Very high6 Ų653.3 Ų53.35%0.0530%0.295CS..SBendtrans-74122.2174.200000110.8E87 K88 W248E87-A254 HydrophobicContact CB-CB 4.19Å; K88-A254 HydrophobicContact CD-CB 4.09Å; W248-A254 HydrophobicContact CG-CB 4.46Å
255L91.7Very high93.5Very high71 Ų7158.2 Ų58.237%0.37231%0.311SS..  trans-72.2140.7-172.8-56.6-178.7000113.8E87 K88 K257E87-L255 WeakPolarHBondContact CB-O 3.37Å; E87-L255 HydrophobicContact CG-CB 4.19Å; E87-L255 PolarHBondContact N-O 2.93Å; E87-L255 VanDerWaalsContact N-O 3.14Å; E87-L255 WeakPolarHBondContact OE1-CD1 3.49Å; E87-L255 WeakPolarHBondContact OE1-CG 3.44Å; E87-L255 PolarHBondContact OE2-N 3.06Å; K88-L255 PolarHBondContact N-O 2.81Å; L255-K257 HydrophobicContact CB-CB 4.35Å; L255-K257 PolarHBondContact O-N 2.98Å
256C92Very high93.1Very high97 Ų9751.1 Ų51.166%0.65529%0.285SS*.  trans-84.914.9169.4-58.90000113.2
257K91.4Very high92.6Very high93 Ų9350.5 Ų50.540%0.40428%0.282SS..  trans-69.5134.7176.5-179171.3175.4170.10109.5T86 D216 L255 I259T86-K257 WeakPolarHBondContact CA-O 3.34Å; T86-K257 WeakPolarHBondContact CG2-O 3.44Å; D216-K257 HydrophobicContact CB-CD 4.48Å; D216-K257 VanDerWaalsContact CG-CE 3.49Å; D216-K257 IonicContact OD1-NZ 2.95Å; D216-K257 PolarHBondContact OD1-NZ 3.37Å; D216-K257 WeakPolarHBondContact OD2-CE 3.37Å; D216-K257 IonicContact OD2-NZ 3.7Å; D216-K257 PolarHBondContact OD2-NZ 3.03Å; L255-K257 HydrophobicContact CB-CB 4.35Å; L255-K257 PolarHBondContact O-N 2.98Å; K257-I259 PolarHBondContact O-N 2.84Å
258N93.5Very high92.2Very high74 Ų7453.5 Ų53.540%0.39629%0.285SS..  trans-73109.1175.8-170.414.3000110.1F84 Y85 H260F84-N258 HydrophobicContact CD2-CB 3.87Å; F84-N258 HydrophobicContact CE2-CB 3.63Å; F84-N258 HydrophobicContact CZ-CB 4.32Å; Y85-N258 PolarHBondContact N-OD1 3.05Å; Y85-N258 VanDerWaalsContact N-OD1 3.12Å; Y85-N258 WeakPolarHBondContact O-CA 3.22Å; Y85-N258 PolarHBondContact O-OD1 3.34Å; N258-H260 WeakPolarHBondContact OD1-CB 3.43Å; N258-H260 PolarHBondContact OD1-N 2.65Å
259I94.1Very high91.6Very high10 Ų1058.7 Ų58.75%0.05131%0.307CS..  trans-103.60.8177.660.9175.5000112.1Y85 E87 L184 I217 K257 E261 S262 V263Y85-I259 HydrophobicContact CD1-CD1 4.32Å; Y85-I259 HydrophobicContact CD1-CG1 4.02Å; Y85-I259 HydrophobicContact CE1-CD1 4.31Å; Y85-I259 HydrophobicContact CE1-CG1 4.5Å; Y85-I259 WeakPolarHBondContact O-CG1 3.44Å; Y85-I259 PolarHBondContact O-N 2.96Å; E87-I259 HydrophobicContact CG-CD1 4.44Å; L184-I259 HydrophobicContact CD2-CD1 4.15Å; I217-I259 HydrophobicContact CD1-CB 4.48Å; I217-I259 HydrophobicContact CD1-CD1 3.7Å; I217-I259 HydrophobicContact CD1-CG2 3.94Å; K257-I259 PolarHBondContact O-N 2.84Å; I259-E261 VanDerWaalsContact C-N 3.34Å; I259-E261 PolarHBondContact O-N 2.84Å; I259-S262 PolarHBondContact O-N 3.39Å; I259-V263 HydrophobicContact CB-CG2 4.25Å; I259-V263 HydrophobicContact CD1-CG2 4.01Å; I259-V263 HydrophobicContact CG1-CG2 4Å; I259-V263 WeakPolarHBondContact O-CG2 3.23Å; I259-V263 PolarHBondContact O-N 3.36Å; I259-V263 VanDerWaalsContact O-N 3.14Å
260H94.8Very high90.7Very high19 Ų1960.2 Ų60.29%0.08832%0.315CS..Hα-helixtrans-51.1-43.3-172178.9-114.1000114.8I79 K82 G83 Y85 N258 S262 S264I79-H260 PolarHBondContact O-CD2 3.3Å; I79-H260 PolarHBondContact O-NE2 3.21Å; K82-H260 PolarHBondContact O-CE1 3.39Å; K82-H260 PolarHBondContact O-NE2 3Å; G83-H260 PolarHBondContact O-ND1 3.31Å; Y85-H260 PolarHBondContact O-N 2.96Å; N258-H260 WeakPolarHBondContact OD1-CB 3.43Å; N258-H260 PolarHBondContact OD1-N 2.65Å; H260-S262 PolarHBondContact O-N 3.04Å; H260-S264 VanDerWaalsContact NE2-CB 3.31Å; H260-S264 WeakPolarHBondContact NE2-CB 3.35Å; H260-S264 PolarHBondContact NE2-OG 3.07Å; H260-S264 VanDerWaalsContact O-CB 3.24Å; H260-S264 WeakPolarHBondContact O-CB 3.49Å; H260-S264 PolarHBondContact O-N 3.16Å; H260-S264 PolarHBondContact O-OG 3.19Å
261E92.8Very high89.5Confident124 Ų12458.2 Ų58.258%0.57929%0.293SS*.Hα-helixtrans-64.2-42.1-174.7-165.6-163137.400112.1I259 R265I259-E261 VanDerWaalsContact C-N 3.34Å; I259-E261 PolarHBondContact O-N 2.84Å; E261-R265 WeakPolarHBondContact O-CB 3.38Å; E261-R265 PolarHBondContact O-N 3.44Å; E261-R265 IonicContact OE1-CZ 1.76Å; E261-R265 VanDerWaalsContact OE1-CZ 3.26Å; E261-R265 IonicContact OE1-NH1 3.8Å; E261-R265 PolarHBondContact OE1-NH1 2.95Å; E261-R265 IonicContact OE1-NH2 3.89Å; E261-R265 PolarHBondContact OE1-NH2 3.23Å
262S92.3Very high88Confident41 Ų4159.8 Ų59.829%0.28730%0.304SS..Hα-helixtrans-69.3-52.2177.5-169.40000110.5I259 H260 R265 Q266I259-S262 PolarHBondContact O-N 3.39Å; H260-S262 PolarHBondContact O-N 3.04Å; S262-R265 PolarHBondContact O-N 3.29Å; S262-Q266 WeakPolarHBondContact O-CG 3.21Å; S262-Q266 PolarHBondContact O-N 3.02Å
263V92.4Very high86.3Confident1 Ų157.7 Ų57.71%0.00629%0.288CS..Hα-helixtrans-61.6-53-176.21760000111.6I79 Y85 L184 I259 R265 Q266 I267I79-V263 HydrophobicContact CG2-CG1 4.21Å; Y85-V263 HydrophobicContact CE1-CG1 4.37Å; L184-V263 WeakPolarHBondContact O-CG2 3.44Å; I259-V263 HydrophobicContact CB-CG2 4.25Å; I259-V263 HydrophobicContact CD1-CG2 4.01Å; I259-V263 HydrophobicContact CG1-CG2 4Å; I259-V263 WeakPolarHBondContact O-CG2 3.23Å; I259-V263 PolarHBondContact O-N 3.36Å; I259-V263 VanDerWaalsContact O-N 3.14Å; V263-R265 VanDerWaalsContact C-N 3.3Å; V263-R265 PolarHBondContact O-N 3.2Å; V263-Q266 PolarHBondContact O-N 3.16Å; V263-Q266 VanDerWaalsContact O-N 3.16Å; V263-I267 HydrophobicContact CG1-CD1 3.66Å; V263-I267 HydrophobicContact CG1-CG1 4.24Å; V263-I267 WeakPolarHBondContact O-CG1 3.42Å; V263-I267 PolarHBondContact O-N 3.28Å
264S92.2Very high84.5Confident3 Ų356.4 Ų56.42%0.02128%0.281CS..Hα-helixtrans-62.9-35.2-17964.90000112.8H260 R268H260-S264 VanDerWaalsContact NE2-CB 3.31Å; H260-S264 WeakPolarHBondContact NE2-CB 3.35Å; H260-S264 PolarHBondContact NE2-OG 3.07Å; H260-S264 VanDerWaalsContact O-CB 3.24Å; H260-S264 WeakPolarHBondContact O-CB 3.49Å; H260-S264 PolarHBondContact O-N 3.16Å; H260-S264 PolarHBondContact O-OG 3.19Å; S264-R268 WeakPolarHBondContact O-CB 3.16Å; S264-R268 VanDerWaalsContact O-CG 3.28Å; S264-R268 WeakPolarHBondContact O-CG 3.17Å; S264-R268 PolarHBondContact O-N 2.93Å
265R92.4Very high82.3Confident133 Ų13360.9 Ų60.950%0.50230%0.3SS..Hα-helixtrans-63.2-45174.4178.3-176.7-71.9134.9-0.5111.4E261 S262 V263 K269E261-R265 WeakPolarHBondContact O-CB 3.38Å; E261-R265 PolarHBondContact O-N 3.44Å; E261-R265 IonicContact OE1-CZ 1.76Å; E261-R265 VanDerWaalsContact OE1-CZ 3.26Å; E261-R265 IonicContact OE1-NH1 3.8Å; E261-R265 PolarHBondContact OE1-NH1 2.95Å; E261-R265 IonicContact OE1-NH2 3.89Å; E261-R265 PolarHBondContact OE1-NH2 3.23Å; S262-R265 PolarHBondContact O-N 3.29Å; V263-R265 VanDerWaalsContact C-N 3.3Å; V263-R265 PolarHBondContact O-N 3.2Å; R265-K269 WeakPolarHBondContact O-CB 3.44Å; R265-K269 PolarHBondContact O-N 2.99Å; R265-K269 VanDerWaalsContact O-N 3.13Å
266Q90.3Very high79.4Confident15 Ų1567.9 Ų67.97%0.0732%0.321CS..Hα-helixtrans-70.2-42177.1-63.7-58-14.900111.9C185 G186 Y213 S262 V263 R268 K269 N270C185-Q266 WeakPolarHBondContact O-CB 3.31Å; G186-Q266 CarbonylContact O-C 3.58Å; G186-Q266 WeakPolarHBondContact O-CB 3.42Å; Y213-Q266 HydrophobicContact CD1-CG 4.43Å; Y213-Q266 HydrophobicContact CE1-CG 4.42Å; S262-Q266 WeakPolarHBondContact O-CG 3.21Å; S262-Q266 PolarHBondContact O-N 3.02Å; V263-Q266 PolarHBondContact O-N 3.16Å; V263-Q266 VanDerWaalsContact O-N 3.16Å; Q266-R268 PolarHBondContact O-N 2.9Å; Q266-K269 PolarHBondContact O-N 3.24Å; Q266-K269 VanDerWaalsContact O-N 3.12Å; Q266-N270 WeakPolarHBondContact O-CB 3.07Å; Q266-N270 PolarHBondContact O-N 2.66Å; Q266-N270 PolarHBondContact O-ND2 2.98Å
267I88.1Confident76.9Confident2 Ų267 Ų671%0.0130%0.304CS..Hα-helixtrans-56.9-51.8175.6-67.8174.6000109.9F76 I79 V80 G186 V263 K269 N270 F271F76-I267 HydrophobicContact CB-CG2 3.8Å; F76-I267 HydrophobicContact CD1-CD1 3.82Å; F76-I267 HydrophobicContact CE1-CD1 4.44Å; F76-I267 HydrophobicContact CG-CD1 4.39Å; F76-I267 HydrophobicContact CG-CG2 4.24Å; I79-I267 HydrophobicContact CB-CD1 4.33Å; I79-I267 HydrophobicContact CG2-CD1 3.79Å; V80-I267 HydrophobicContact CG2-CB 3.79Å; V80-I267 HydrophobicContact CG2-CG2 3.4Å; V80-I267 VanDerWaalsContact CG2-CG2 3.4Å; G186-I267 PolarHBondContact O-N 3.13Å; V263-I267 HydrophobicContact CG1-CD1 3.66Å; V263-I267 HydrophobicContact CG1-CG1 4.24Å; V263-I267 WeakPolarHBondContact O-CG1 3.42Å; V263-I267 PolarHBondContact O-N 3.28Å; I267-K269 VanDerWaalsContact C-N 3.29Å; I267-K269 PolarHBondContact O-N 3.44Å; I267-N270 PolarHBondContact O-N 3.09Å; I267-F271 HydrophobicContact CB-CD2 4.33Å; I267-F271 HydrophobicContact CG2-CD2 3.76Å; I267-F271 HydrophobicContact CG2-CE2 4.45Å; I267-F271 HydrophobicContact CG2-CG 4.37Å; I267-F271 WeakPolarHBondContact O-CB 3.15Å; I267-F271 WeakPolarHBondContact O-CD2 3.33Å; I267-F271 PolarHBondContact O-N 3.06Å
268R85.9Confident74.7Confident134 Ų13467 Ų6751%0.50631%0.305SS..Hα-helixtrans-53.8-45.7175.9-72.9176.2-169.312712.7111.8V80 S264 Q266 A272V80-R268 HydrophobicContact CG1-CG 3.67Å; V80-R268 VanDerWaalsContact CG1-NE 3.29Å; V80-R268 HydrophobicContact CG2-CG 4.14Å; V80-R268 PolarHBondContact O-NH2 2.84Å; S264-R268 WeakPolarHBondContact O-CB 3.16Å; S264-R268 VanDerWaalsContact O-CG 3.28Å; S264-R268 WeakPolarHBondContact O-CG 3.17Å; S264-R268 PolarHBondContact O-N 2.93Å; Q266-R268 PolarHBondContact O-N 2.9Å; R268-A272 WeakPolarHBondContact O-CB 3.5Å; R268-A272 PolarHBondContact O-N 2.6Å
269K85.4Confident71.8Confident110 Ų11067.7 Ų67.748%0.47832%0.321SS..Hα-helixtrans-66.7-38.5-178.2-174.6-176177.3-1700113.4R265 Q266 I267 K273R265-K269 WeakPolarHBondContact O-CB 3.44Å; R265-K269 PolarHBondContact O-N 2.99Å; R265-K269 VanDerWaalsContact O-N 3.13Å; Q266-K269 PolarHBondContact O-N 3.24Å; Q266-K269 VanDerWaalsContact O-N 3.12Å; I267-K269 VanDerWaalsContact C-N 3.29Å; I267-K269 PolarHBondContact O-N 3.44Å; K269-K273 WeakPolarHBondContact O-CG 3.24Å
270N77.7Confident68.7Low35 Ų3574.8 Ų74.819%0.18735%0.352CS..Hα-helixtrans-91.6-38.2-173.5-63.7-42.8000112.4G186 Y187 Q266 I267 K273 S274G186-N270 PolarHBondContact O-ND2 3.23Å; Y187-N270 WeakPolarHBondContact CB-ND2 3.3Å; Q266-N270 WeakPolarHBondContact O-CB 3.07Å; Q266-N270 PolarHBondContact O-N 2.66Å; Q266-N270 PolarHBondContact O-ND2 2.98Å; I267-N270 PolarHBondContact O-N 3.09Å; N270-K273 WeakPolarHBondContact O-CB 3.34Å; N270-K273 PolarHBondContact O-N 3.33Å; N270-S274 PolarHBondContact O-N 3.04Å
271F69.8Low66Low30 Ų3076.5 Ų76.513%0.13236%0.362CS..Hα-helixtrans-80.3-24.2179.1-71.6-90.2000113.2F76 I182 I267 K273 S274 K275F76-F271 HydrophobicContact CD2-CD1 4Å; F76-F271 HydrophobicContact CD2-CD2 4.21Å; F76-F271 AromaticContact CD2-CE1 3.57Å; F76-F271 HydrophobicContact CD2-CE1 3.57Å; F76-F271 AromaticContact CD2-CE2 3.81Å; F76-F271 HydrophobicContact CD2-CE2 3.81Å; F76-F271 HydrophobicContact CD2-CG 4.32Å; F76-F271 AromaticContact CD2-CZ 3.49Å; F76-F271 HydrophobicContact CD2-CZ 3.49Å; F76-F271 VanDerWaalsContact CD2-CZ 3.49Å; F76-F271 HydrophobicContact CE2-CD1 4.39Å; F76-F271 AromaticContact CE2-CE1 3.52Å; F76-F271 HydrophobicContact CE2-CE1 3.52Å; F76-F271 AromaticContact CE2-CE2 3.71Å; F76-F271 HydrophobicContact CE2-CE2 3.71Å; F76-F271 AromaticContact CE2-CZ 3.13Å; F76-F271 HydrophobicContact CE2-CZ 3.13Å; F76-F271 HydrophobicContact CZ-CE2 4.44Å; F76-F271 HydrophobicContact CZ-CZ 4.07Å; I182-F271 HydrophobicContact CG2-CE2 3.97Å; I182-F271 HydrophobicContact CG2-CZ 4.14Å; I267-F271 HydrophobicContact CB-CD2 4.33Å; I267-F271 HydrophobicContact CG2-CD2 3.76Å; I267-F271 HydrophobicContact CG2-CE2 4.45Å; I267-F271 HydrophobicContact CG2-CG 4.37Å; I267-F271 WeakPolarHBondContact O-CB 3.15Å; I267-F271 WeakPolarHBondContact O-CD2 3.33Å; I267-F271 PolarHBondContact O-N 3.06Å; F271-K273 VanDerWaalsContact C-N 3.32Å; F271-S274 PolarHBondContact O-N 3.24Å; F271-K275 PolarHBondContact O-N 2.64Å
272A58.8Low63.2Low57 Ų5774.1 Ų74.147%0.47136%0.363SS..Hα-helixtrans-60.4-42.7163.600000111.5R268 S274 W276R268-A272 WeakPolarHBondContact O-CB 3.5Å; R268-A272 PolarHBondContact O-N 2.6Å; A272-S274 VanDerWaalsContact C-N 3.34Å; A272-W276 VanDerWaalsContact O-CD1 3.28Å; A272-W276 PolarHBondContact O-N 2.92Å
273K52.8Low60.3Low101 Ų10177.4 Ų77.444%0.43938%0.382SS..Hα-helixtrans-66-34.9172.6-66.2176.2178.2-171.70112.3K269 N270 F271 W276 R277K269-K273 WeakPolarHBondContact O-CG 3.24Å; N270-K273 WeakPolarHBondContact O-CB 3.34Å; N270-K273 PolarHBondContact O-N 3.33Å; F271-K273 VanDerWaalsContact C-N 3.32Å; K273-W276 WeakPolarHBondContact O-CB 3.4Å; K273-W276 PolarHBondContact O-N 3.44Å; K273-R277 WeakPolarHBondContact O-CG 3.42Å; K273-R277 PolarHBondContact O-N 3.14Å
274S53.1Low57.5Low28 Ų2879.4 Ų79.420%0.19640%0.398CS..Hα-helixtrans-71.2-46.7179.1-163.20000112.9N270 F271 A272 W276 R277 Q278N270-S274 PolarHBondContact O-N 3.04Å; F271-S274 PolarHBondContact O-N 3.24Å; A272-S274 VanDerWaalsContact C-N 3.34Å; S274-W276 PolarHBondContact O-N 3.08Å; S274-R277 CarbonylContact O-C 3.43Å; S274-R277 PolarHBondContact O-N 3Å; S274-Q278 PolarHBondContact O-N 2.95Å
275K47Very low55Low101 Ų10182 Ų8244%0.43941%0.414SS..Hα-helixtrans-59.4-32.4173.8-71.9-178.4175.4174.80110.8E74 D77 F271E74-K275 IonicContact OE2-NZ 3.26Å; D77-K275 IonicContact OD1-NZ 3.93Å; D77-K275 PolarHBondContact OD1-NZ 3.44Å; D77-K275 IonicContact OD2-NZ 2.65Å; D77-K275 PolarHBondContact OD2-NZ 3.3Å; F271-K275 PolarHBondContact O-N 2.64Å
276W31.2Very low52.5Low218 Ų21880.1 Ų80.183%0.82642%0.417SS*.Hα-helixtrans-68.6-44167.3-90.676.4000114.2A272 K273 S274A272-W276 VanDerWaalsContact O-CD1 3.28Å; A272-W276 PolarHBondContact O-N 2.92Å; K273-W276 WeakPolarHBondContact O-CB 3.4Å; K273-W276 PolarHBondContact O-N 3.44Å; S274-W276 PolarHBondContact O-N 3.08Å
277R39.6Very low49.8Very low77 Ų7788.3 Ų88.329%0.29145%0.447SS..Hα-helixtrans-71.1-34.5-179.9-77.7-176.8177.7-158.1-1.9113.3Y191 E193 K273 S274 A279 F280 N281Y191-R277 VanDerWaalsContact OH-CZ 3.26Å; Y191-R277 PolarHBondContact OH-NH2 3.04Å; E193-R277 IonicContact OE1-NH2 3.87Å; E193-R277 PolarHBondContact OE1-NH2 3.42Å; K273-R277 WeakPolarHBondContact O-CG 3.42Å; K273-R277 PolarHBondContact O-N 3.14Å; S274-R277 CarbonylContact O-C 3.43Å; S274-R277 PolarHBondContact O-N 3Å; R277-A279 VanDerWaalsContact C-N 3.26Å; R277-A279 PolarHBondContact O-N 3.41Å; R277-F280 PolarHBondContact O-N 3.45Å; R277-N281 WeakPolarHBondContact O-CB 3.39Å; R277-N281 PolarHBondContact O-N 3.44Å
278Q44.8Very low47.6Very low94 Ų9492.5 Ų92.544%0.43947%0.466SS..Hα-helixtrans-58.6-37.4175.3-78.9-178.2-11.200111.9E117 S274 F280E117-Q278 PolarHBondContact OE1-NE2 2.88Å; S274-Q278 PolarHBondContact O-N 2.95Å; Q278-F280 VanDerWaalsContact C-N 3.27Å; Q278-F280 PolarHBondContact O-N 2.88Å
279A33.4Very low45.5Very low88 Ų8888.8 Ų88.873%0.72746%0.456SS*.Hα-helixtrans-68.2-21.5175.500000114R277R277-A279 VanDerWaalsContact C-N 3.26Å; R277-A279 PolarHBondContact O-N 3.41Å
280F28.3Very low43.2Very low160 Ų16092.1 Ų92.170%0.70247%0.465SS*.Hα-helixtrans-105.8-41.9-173.6-161-99.6000113.2R277 Q278 A282 T283R277-F280 PolarHBondContact O-N 3.45Å; Q278-F280 VanDerWaalsContact C-N 3.27Å; Q278-F280 PolarHBondContact O-N 2.88Å; F280-A282 PolarHBondContact O-N 2.75Å; F280-T283 PolarHBondContact O-N 3.45Å
281N37.1Very low41.4Very low55 Ų5599 Ų9929%0.29449%0.489SS..Hα-helixtrans-77.6-16.6-168-78.18.3000115R277 T283 A284 V285R277-N281 WeakPolarHBondContact O-CB 3.39Å; R277-N281 PolarHBondContact O-N 3.44Å; N281-T283 PolarHBondContact O-N 3.35Å; N281-T283 VanDerWaalsContact O-N 3.07Å; N281-A284 PolarHBondContact O-N 3.43Å; N281-V285 PolarHBondContact O-N 3.03Å
282A34.9Very low39.9Very low73 Ų73102.6 Ų102.660%0.60351%0.509SS*.Hα-helixtrans-53-29.7171.900000112.5F280 V286F280-A282 PolarHBondContact O-N 2.75Å; A282-V286 WeakPolarHBondContact O-CG2 3.41Å
283T31.8Very low39Very low111 Ų111107 Ų10768%0.68152%0.519SS*.Hα-helixtrans-83.9-30.8178.2-46.20000113F280 N281F280-T283 PolarHBondContact O-N 3.45Å; N281-T283 PolarHBondContact O-N 3.35Å; N281-T283 VanDerWaalsContact O-N 3.07Å
284A33.5Very low38.5Very low42 Ų42108.8 Ų108.835%0.34753%0.533SS..Hα-helixtrans-80.3-45.8-172.100000112.6N281 V286 R287 H288N281-A284 PolarHBondContact O-N 3.43Å; A284-V286 VanDerWaalsContact C-N 3.32Å; A284-V286 PolarHBondContact O-N 3.08Å; A284-R287 WeakPolarHBondContact O-CA 3.5Å; A284-R287 WeakPolarHBondContact O-CB 3.46Å; A284-R287 PolarHBondContact O-N 2.86Å; A284-H288 PolarHBondContact O-N 3.21Å
285V39.5Very low37.8Very low59 Ų59110.4 Ų110.436%0.35855%0.554SS.*Hα-helixtrans-60.2-43.1180178.10000110.8N281 R287 H288 M289N281-V285 PolarHBondContact O-N 3.03Å; V285-R287 VanDerWaalsContact C-N 3.26Å; V285-R287 PolarHBondContact O-N 3.39Å; V285-H288 PolarHBondContact O-N 3.02Å; V285-M289 HydrophobicContact CG1-CE 3.92Å; V285-M289 HydrophobicContact CG1-CG 4.43Å; V285-M289 HydrophobicContact CG1-SD 4.29Å; V285-M289 WeakPolarHBondContact O-CG 3.44Å; V285-M289 PolarHBondContact O-N 3.38Å
286V40.2Very low37.3Very low92 Ų92111 Ų11156%0.55857%0.571SS**Hα-helixtrans-56.1-40.3173.7174.30000111.6A282 A284 R290A282-V286 WeakPolarHBondContact O-CG2 3.41Å; A284-V286 VanDerWaalsContact C-N 3.32Å; A284-V286 PolarHBondContact O-N 3.08Å; V286-R290 WeakPolarHBondContact O-CB 3.04Å; V286-R290 PolarHBondContact O-N 2.99Å
287R33.8Very low37.4Very low187 Ų187105.5 Ų105.571%0.70657%0.566SS**Hα-helixtrans-73.9-30.6-179.3-165.1174.1-173.8167.80.7113.1A284 V285A284-R287 WeakPolarHBondContact O-CA 3.5Å; A284-R287 WeakPolarHBondContact O-CB 3.46Å; A284-R287 PolarHBondContact O-N 2.86Å; V285-R287 VanDerWaalsContact C-N 3.26Å; V285-R287 PolarHBondContact O-N 3.39Å
288H40.4Very low37.3Very low90 Ų90110.8 Ų110.842%0.41760%0.596SS.*Hα-helixtrans-73-47.6172.9-16795.9000111A284 V285 R290 R291 L292A284-H288 PolarHBondContact O-N 3.21Å; V285-H288 PolarHBondContact O-N 3.02Å; H288-R290 VanDerWaalsContact C-N 3.34Å; H288-R290 PolarHBondContact O-N 3.09Å; H288-R291 WeakPolarHBondContact O-CB 3.48Å; H288-R291 PolarHBondContact O-N 3.08Å; H288-L292 PolarHBondContact O-N 3.11Å
289M41.9Very low36.7Very low56 Ų56109.9 Ų109.928%0.27661%0.612SS.*Hα-helixtrans-59.4-40.9177.1-72.4-171.9173.200113.1A150 V285 R291 L292 Q293A150-M289 HydrophobicContact CB-CE 3.69Å; A150-M289 WeakPolarHBondContact O-CE 3.42Å; V285-M289 HydrophobicContact CG1-CE 3.92Å; V285-M289 HydrophobicContact CG1-CG 4.43Å; V285-M289 HydrophobicContact CG1-SD 4.29Å; V285-M289 WeakPolarHBondContact O-CG 3.44Å; V285-M289 PolarHBondContact O-N 3.38Å; M289-R291 PolarHBondContact O-N 3.33Å; M289-L292 PolarHBondContact O-N 3.3Å; M289-L292 VanDerWaalsContact O-N 3.16Å; M289-Q293 PolarHBondContact O-N 2.64Å
290R38.6Very low36.4Very low181 Ų181111.6 Ų111.668%0.68362%0.618SS**Hα-helixtrans-61.4-29.1176-145.6177.5-156.2175.96.7112.7V286 H288 L294V286-R290 WeakPolarHBondContact O-CB 3.04Å; V286-R290 PolarHBondContact O-N 2.99Å; H288-R290 VanDerWaalsContact C-N 3.34Å; H288-R290 PolarHBondContact O-N 3.09Å; R290-L294 WeakPolarHBondContact O-CD1 3.26Å; R290-L294 WeakPolarHBondContact O-CG 3.34Å; R290-L294 PolarHBondContact O-N 2.93Å
291R38.7Very low36.5Very low179 Ų179109.8 Ų109.868%0.67563%0.626SS**Hα-helixtrans-76.1-34.9177.3-160.8-178.5-61.1-165.32.4112H288 M289 G295H288-R291 WeakPolarHBondContact O-CB 3.48Å; H288-R291 PolarHBondContact O-N 3.08Å; M289-R291 PolarHBondContact O-N 3.33Å; R291-G295 PolarHBondContact O-N 2.8Å
292L38.2Very low36.3Very low106 Ų106116.6 Ų116.656%0.55566%0.658SS**Hα-helixtrans-71.2-41.5175-65.5173.4000111.9H288 M289 L294 G295H288-L292 PolarHBondContact O-N 3.11Å; M289-L292 PolarHBondContact O-N 3.3Å; M289-L292 VanDerWaalsContact O-N 3.16Å; L292-L294 VanDerWaalsContact C-N 3.27Å; L292-L294 PolarHBondContact O-N 3.02Å; L292-G295 PolarHBondContact O-N 3.02Å; L292-G295 VanDerWaalsContact O-N 3.08Å
293Q39.8Very low36.1Very low149 Ų149121.1 Ų121.170%0.69667%0.672SS**Hα-helixtrans-63.5-30.1175.8-74.7-177.7-27.100113.6M289M289-Q293 PolarHBondContact O-N 2.64Å
294L41.8Very low36.2Very low138 Ų138120 Ų12072%0.72367%0.674SS**Hα-helixtrans-79.2-16.1175.1-74165.9000113.4R290 L292R290-L294 WeakPolarHBondContact O-CD1 3.26Å; R290-L294 WeakPolarHBondContact O-CG 3.34Å; R290-L294 PolarHBondContact O-N 2.93Å; L292-L294 VanDerWaalsContact C-N 3.27Å; L292-L294 PolarHBondContact O-N 3.02Å
295G38.5Very low36Very low62 Ų62124.1 Ų124.164%0.63970%0.701SS**Hα-helixtrans-78.9-18.1-179.400000114.8R291 L292R291-G295 PolarHBondContact O-N 2.8Å; L292-G295 PolarHBondContact O-N 3.02Å; L292-G295 VanDerWaalsContact O-N 3.08Å
296S36.9Very low35.6Very low114 Ų114128.2 Ų128.280%0.79772%0.72SS**THydrogen-bonded Turntrans-95.813.7-174-56.20000114.6
297S34.4Very low35.7Very low103 Ų103129.3 Ų129.372%0.7273%0.729SS**SBendtrans-119.342.5-175.1-170.60000114
298M36.5Very low35.6Very low188 Ų188131.6 Ų131.693%0.92674%0.738SS**  trans-145.9100.3162-84.2-159.871.400109.9
299G32.9Very low35.4Very low74 Ų74133 Ų13376%0.76376%0.755SS**  trans173.736-178.600000119.2
300S27.7Very low34.7Very low124 Ų124136.1 Ų136.187%0.86778%0.783SS**  trans-179.1106.9153.4-87.90000113.3
301S29.3Very low34.2Very low122 Ų122136.1 Ų136.185%0.85379%0.79SS**  174.2109.6122.354.50000110.3
302M32.3Very low33.7Very low199 Ų199133.5 Ų133.598%0.9880%0.795SS**  trans-94.8116.5156.5-75.4-179.5171.600106.9
303D31.3Very low33.3Very low168 Ų168137.1 Ų137.190%0.89881%0.809SS**  trans-151.5155.4141.4-150.4-9.9000110.1
304A33.1Very low32.8Very low87 Ų87140.7 Ų140.772%0.71982%0.816SS**  trans-109.4136.2-161.200000113.5
305S29.8Very low32.7Very low129 Ų129140.6 Ų140.690%0.90282%0.823SS**  trans-165.5140.6141.437.70000111.6
306N32.6Very low32.2Very low144 Ų144141.4 Ų141.477%0.7782%0.824SS**  trans-131.5147.9175-158.62.8000104.7R308N306-R308 PolarHBondContact OD1-N 3.15Å; N306-R308 VanDerWaalsContact OD1-N 3.15Å
307P41Very low32Very low116 Ų116145 Ų14575%0.75383%0.828SS**  -151.4139.680.736.1-15.6000117.8
308R31.3Very low31.7Very low234 Ų234144.6 Ų144.688%0.88383%0.825SS**  trans78.8157.7136.9-85.3-160.4163.7-178.8-3.1121.5N306N306-R308 PolarHBondContact OD1-N 3.15Å; N306-R308 VanDerWaalsContact OD1-N 3.15Å
309P36Very low31.4Very low120 Ų120144.4 Ų144.478%0.77982%0.822SS**  trans-118.3170.1-156.243.3-32.2000115
310S27.6Very low31.2Very low122 Ų122146.2 Ų146.285%0.85382%0.823SS**  trans-119.4137.2166.147.10000111.8
311Q28.7Very low31.4Very low181 Ų181149.6 Ų149.685%0.84683%0.825SS**  trans-93.8148174.6-60.7170-2000110.2
312T28.9Very low31.4Very low124 Ų124148.8 Ų148.876%0.76183%0.826SS**  trans-176.6109140.214.20000108.1
313Q29.6Very low31.2Very low182 Ų182142.5 Ų142.585%0.8581%0.812SS**  91.8124.185.4-83.7-174.42.600114.3
314R29.4Very low31.2Very low224 Ų224143.1 Ų143.185%0.84581%0.81SS**  trans-78.6171.9159.8-68.6-175.7179.2-174.2-0.4109.9
315P38Very low31Very low135 Ų135144.1 Ų144.188%0.87780%0.803SS**  -125.7174.4114.714.83.8000113.4
316A28.3Very low31.2Very low80 Ų80145.6 Ų145.666%0.66180%0.796SS**  trans-138.5161.1-174.400000111.3
317Q32.4Very low30.9Very low190 Ų190145.1 Ų145.189%0.88880%0.798SS**  trans174.2153157.9-97.7162.715.600107.7
318S29.7Very low30.4Very low93 Ų93143.8 Ų143.865%0.6580%0.797SS**  cis-168.2146.3-4.8390000113.3
319Q29.8Very low30.3Very low184 Ų184141.9 Ų141.986%0.8680%0.798SS**  trans56.9121.8141.3-64.9176.9-6.200124.4
320S28.6Very low30Very low112 Ų112141 Ų14178%0.78380%0.795SS**  178.6121107.535.60000109.7
321Q32.1Very low30.1Very low195 Ų195145 Ų14591%0.91180%0.8SS**  44.3137.899.3-70.3-171.9-7.200115.7
322A29.2Very low30.1Very low105 Ų105143.7 Ų143.787%0.86880%0.799SS**  cis-171.1171.6-14.500000107.5
323G28.4Very low30.2Very low68 Ų68143.2 Ų143.270%0.70180%0.8SS**  cis162162.7-5.900000111.9
324Q31.5Very low30.1Very low181 Ų181137.6 Ų137.685%0.84679%0.792SS**  trans71.6146.3170.9-63.8-177.37.100117.8
325N29Very low30.1Very low108 Ų108136.6 Ų136.658%0.57880%0.796SS**  cis-146.7145.55.7-102.8-24.6000110.2
326Q32.2Very low29.7Very low160 Ų160134.8 Ų134.875%0.74879%0.793SS**  54.6141.999.4-56.9-172.654.800115.9
327T27.9Very low29.8Very low134 Ų134134.9 Ų134.982%0.82279%0.794SS**  cis-156.7174.710.2-9.50000111.5
328A29.8Very low30.2Very low87 Ų87131.6 Ų131.672%0.71979%0.789SS**  trans-88.8160.5-179.800000114.6
329Q28.6Very low30.3Very low195 Ų195132.3 Ų132.391%0.91179%0.794SS**  -178.9163.7113.5-100179.1-2.300114.9
330S29.4Very low30.2Very low102 Ų102133.2 Ų133.271%0.71380%0.798SS**  trans-86156.9-175.552.70000115.2
331Q31.2Very low30.3Very low204 Ų204131.8 Ų131.895%0.95379%0.793SS**  trans-164.2177.5132-110.4171.526.800113.3
332N29Very low30.2Very low155 Ų155128.4 Ų128.483%0.82979%0.786SS**  trans-132.1173.2-154.2-173.318.9000112.6
333S30.3Very low30.2Very low113 Ų113130.2 Ų130.279%0.7978%0.781SS**  trans99.2145.5154.8800000121.7
334G27.1Very low30.3Very low65 Ų65131 Ų13167%0.6778%0.776SS**  trans107.495.4167.600000115.3
335Q30.6Very low30.1Very low202 Ų202130.4 Ų130.494%0.94478%0.778SS**  65138.788.2-73.1-173.9-1.100115.1
336A27.8Very low30.1Very low97 Ų97129.5 Ų129.580%0.80279%0.786SS**  cis-159.8174.2-400000111.3
337A31.8Very low30Very low82 Ų82127 Ų12768%0.67879%0.786SS**  trans-84.8174.9173.100000112.7
338P41.3Very low30.3Very low122 Ų122129.4 Ų129.479%0.79279%0.785SS**  -133.7148.880.316.85.9000113.2
339S29.9Very low30.2Very low108 Ų108132 Ų13276%0.75579%0.787SS**  75.2105.456.8-53.10000115.3
340Q29.7Very low30.2Very low203 Ų203127.3 Ų127.395%0.94978%0.776SS**  trans-153.2151.6131-111.9-179.621.300110.8
341A29.4Very low30.2Very low81 Ų81127.5 Ų127.567%0.66978%0.777SS**  trans-141.2-163.7-168.500000110.3
342T30Very low30.3Very low125 Ų125125.9 Ų125.977%0.76777%0.773SS**  trans82.3143.6175.478.40000115.3
343N29.9Very low30.4Very low142 Ų142125.2 Ų125.276%0.75977%0.77SS**  cis-152.5153-10.9-118.7-4.1000114.3
344S29.4Very low30.5Very low85 Ų85126.3 Ų126.359%0.59477%0.766SS**  trans-12.2143.8153.157.60000120.1
345N28.7Very low30.7Very low168 Ų168130 Ų13090%0.89877%0.771SS**  -156.8153.4104.8-111-17.4000114
346A29.2Very low30.7Very low90 Ų90127.2 Ų127.274%0.74477%0.767SS**  trans-136.8149.5-17600000111.5
347S30.1Very low31Very low106 Ų106127.2 Ų127.274%0.74177%0.768SS**  trans174.8126.9148.6-83.50000109
348K32.2Very low31Very low185 Ų185127.8 Ų127.880%0.80477%0.772SS**  62.1135.478.1-66.9179.8178.8179.60112.1
349N28Very low30.8Very low141 Ų141127.9 Ų127.975%0.75477%0.773SS**  cis-148.4-177.5-1.7-91.7-0.8000106.5
350S28.9Very low31.1Very low98 Ų98134.6 Ų134.669%0.68578%0.782SS**  cis-155.5152.23.84.80000106.8
351S29.5Very low31.2Very low106 Ų106134.6 Ų134.674%0.74178%0.779SS**  60.2109.371.6-41.20000115.6
352I34Very low31.2Very low170 Ų170139.2 Ų139.287%0.87279%0.786SS**  -172.1139124.8-92.9154.4000108.7
353D30.8Very low31.2Very low141 Ų141139.5 Ų139.575%0.75479%0.792SS**  trans-99170.5-173.2-67-61.9000114.6
354N31.2Very low31.6Very low135 Ų135140.2 Ų140.272%0.72280%0.795SS**  trans87.6119.5141.8-73-40.4000122
355N31.7Very low32.1Very low144 Ų144141.9 Ų141.977%0.7780%0.804SS**  trans48.1125.7133.4-70.3-31.4000120.8
356V31.1Very low32.5Very low142 Ų142138.1 Ų138.186%0.86180%0.796SS**  -170.1154.5102.7144.50000110
357A33.3Very low32.8Very low98 Ų98139.7 Ų139.781%0.8180%0.798SS**  trans-67.7154.4-175.800000114.8
358A33.4Very low33.3Very low93 Ų93141.5 Ų141.577%0.76980%0.804SS**  trans-126.4141.1163.600000110
359P35.4Very low33.6Very low125 Ų125138.9 Ų138.981%0.81280%0.804SS**PPolyproline II helixtrans-80.9151.3-171.932.3-35.5000113
360R36.3Very low33.9Very low249 Ų249137.5 Ų137.594%0.9480%0.803SS**PPolyproline II helixtrans-65.8131.4168.6-67.8178.5173.5-173.7-4.3109.5
361K31.8Very low33.9Very low203 Ų203139.4 Ų139.488%0.88382%0.815SS**PPolyproline II helixtrans-81.9121.6163.2-83-174.4174-179.10109.3
362E30.1Very low34.1Very low178 Ų178139.1 Ų139.183%0.83281%0.813SS**PPolyproline II helixtrans-69.1135.6166.9-63.2171.8141.200109.5
363C30.7Very low34Very low130 Ų130139 Ų13988%0.87881%0.813SS**  trans-104.3110.4163.1-85.10000108.5
364L37.9Very low33.9Very low157 Ų157136.6 Ų136.682%0.82281%0.812SS**PPolyproline II helixtrans-73.9141.7169.7-67.7165.1000109.8
365P38.9Very low33.9Very low121 Ų121135.5 Ų135.579%0.78682%0.816SS**PPolyproline II helixtrans-72.6143.9170.130.6-33.3000111
366A38Very low33.9Very low89 Ų89133.6 Ų133.674%0.73682%0.82SS**PPolyproline II helixtrans-72.1150175.900000111.8
367P34.8Very low34Very low122 Ų122131.6 Ų131.679%0.79282%0.818SS**PPolyproline II helixtrans-76.7126.6-177.230.5-34.2000112.2
368V41.3Very low33.9Very low144 Ų144132.6 Ų132.687%0.87382%0.819SS**PPolyproline II helixtrans-81.6117.8165.4-95.50000110.2
369T37.4Very low34.2Very low130 Ų130133.9 Ų133.980%0.79882%0.822SS**PPolyproline II helixtrans-79.6132.9175.2-29.70000110.3
370P34.7Very low34.5Very low113 Ų113134 Ų13473%0.73482%0.823SS**PPolyproline II helixtrans-78.6135.7178.331.2-33.9000111.3
371C30.2Very low34.6Very low138 Ų138126.8 Ų126.893%0.93282%0.817SS**  trans-105.9109.6167.2-154.60000109
372S32Very low35.3Very low99 Ų99123.5 Ų123.569%0.69282%0.816SS**  trans-114.8134.2176.6-66.20000109.9
373L31.8Very low35.5Very low169 Ų169118.4 Ų118.489%0.88581%0.811SS**  trans173.3110.1149.7-91.4156.8000105
374A30.7Very low35.7Very low89 Ų89119.1 Ų119.174%0.73681%0.812SS**  58.4136.885.600000113
375S30.6Very low35.6Very low113 Ų113120.4 Ų120.479%0.7981%0.814SS**  cis-169.4141.40.2137.30000108
376A31.2Very low35.5Very low104 Ų104122.9 Ų122.986%0.8682%0.819SS**  trans-154.6123.9157.400000110.3
377A32.5Very low35.3Very low100 Ų100125.5 Ų125.583%0.82682%0.821SS**  trans-102147.9-178.300000111.8
378S32.4Very low35.4Very low118 Ų118129.5 Ų129.583%0.82582%0.821SS**  trans-157.3121.9146.660.60000110.5
379S38.5Very low35.8Very low120 Ų120128.4 Ų128.484%0.83982%0.816SS**PPolyproline II helixtrans-85.6150.6169.4-48.50000110.6
380P42.3Very low36.2Very low128 Ų128129.7 Ų129.783%0.83181%0.813SS**PPolyproline II helixtrans-99.7134.9156.933.3-26.2000111.2
381A39.1Very low36.9Very low98 Ų98130.1 Ų130.181%0.8182%0.816SS**PPolyproline II helixtrans-95.2160.1165.900000110.5
382P46.8Very low37.2Very low134 Ų134129.1 Ų129.187%0.8781%0.81SS**PPolyproline II helixtrans-96.9160.2-171.837.3-35.4000115.1
383G33.9Very low37.6Very low70 Ų70129 Ų12972%0.72282%0.815SS**  trans117.9130.5172.900000111.4
384T34.9Very low38.1Very low146 Ų146127.5 Ų127.590%0.89681%0.813SS**  cis-160.8166.341.631.30000111.9
385E36.4Very low39Very low184 Ų184129 Ų12986%0.8682%0.815SS**  trans-62154.3174.7-61.416686.400114.2
386L36.4Very low39.7Very low172 Ų172127.9 Ų127.990%0.90181%0.812SS**  trans-160.7139.8141.3-108.7157.4000113.3
387N34Very low40.9Very low145 Ų145129.2 Ų129.278%0.77581%0.812SS**  trans-45.5143.9-173.3-94.9-51.5000119.7
388R37Very low41.3Very low206 Ų206133.3 Ų133.378%0.77782%0.817SS**  14.1151.6127.8-91.2-171.4-178-177.13.8120.3
389P48Very low41.8Very low120 Ų120136.5 Ų136.578%0.77982%0.821SS**  cis-141.7169.144.138.2-18.3000119.2
390H46.5Very low42.5Very low158 Ų158137.3 Ų137.373%0.73182%0.821SS**PPolyproline II helixtrans-65.5151.9167.1-82.3-98.8000113.1
391P49.3Very low42.7Very low122 Ų122144.4 Ų144.479%0.79284%0.839SS**PPolyproline II helixtrans-95.8157.6143.133.5-25.8000112
392S37.2Very low42.9Very low116 Ų116146.7 Ų146.781%0.81184%0.84SS**PPolyproline II helixtrans-96167.2-165.252.30000115.5
393A40.9Very low42.7Very low97 Ų97147.4 Ų147.480%0.80284%0.838SS**PPolyproline II helixtrans-58.7156.3174.500000115.1
394V40.8Very low43.2Very low137 Ų137151.7 Ų151.783%0.8385%0.845SS**  trans-136.2141.9164.1177.90000107.4
395P50.5Low43.7Very low120 Ų120152 Ų15278%0.77984%0.842SS**PPolyproline II helixtrans-98.5172.6-155.238.4-37.3000115.9
396A44.4Very low44.1Very low90 Ų90150 Ų15074%0.74484%0.841SS**PPolyproline II helixtrans-73.6152.817300000113.3
397P56.8Low44.6Very low132 Ų132148.5 Ų148.586%0.85784%0.837SS**PPolyproline II helixtrans-84.5146172.733.7-33000112.7
398M40.8Very low45.4Very low187 Ų187148.8 Ų148.892%0.92184%0.841SS**PPolyproline II helixtrans-80.4158.1176.5-71.3178.364.500113.3
399M44.2Very low46.1Very low185 Ų185144.4 Ų144.491%0.91185%0.846SS**PPolyproline II helixtrans-70.5136.5167.1-69.9175.2162.800112.9
400T52.7Low45.9Very low137 Ų137146.4 Ų146.484%0.8485%0.852SS**  trans-153.8141.214042.80000105.7
401K46.7Very low45.8Very low276 Ų276145.4 Ų145.4100%1.286%0.863SS**  cis-149.2015.2-146.1-177.5-169.5-178.90109.8

Retrieved 401 of 401 residues in 859.3 ms (Link to these results)

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