A0A060WYL4_ONCMY Loading...

Colony stimulating factor 3 receptor

AlphaFold DB , UniProt , Accession A0A060WYL4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene csf3r, Length 872 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M52.7Low51.9Low237 Ų237114 Ų114100%1.16763%0.631SS**  0610-70.7176.4-91.100111.3
2A46.3Very low51.4Low72 Ų72112.9 Ų112.960%0.59562%0.622SS**  trans-126.2-37.3179.500000113.5A4A2-A4 PolarHBondContact O-N 3.14Å
3S48Very low50.9Low92 Ų92113.1 Ų113.164%0.64362%0.621SS**Hα-helixtrans-61-38.2-178.3177.30000114.6W5 I6 T7S3-W5 VanDerWaalsContact C-N 3.3Å; S3-W5 PolarHBondContact O-N 3.19Å; S3-I6 PolarHBondContact O-N 3.38Å; S3-T7 PolarHBondContact O-N 3.38Å; S3-T7 PolarHBondContact O-OG1 3.18Å
4A50.2Low50.3Low68 Ų68113.4 Ų113.456%0.56262%0.62SS**Hα-helixtrans-68.8-20.1-174.300000115.1A2 T7A2-A4 PolarHBondContact O-N 3.14Å; A4-T7 PolarHBondContact O-OG1 3.1Å
5W48.3Very low49.8Very low187 Ų187110.4 Ų110.471%0.70862%0.617SS**Hα-helixtrans-84.1-31.9177.7-78.683.6000112.5S3 F9S3-W5 VanDerWaalsContact C-N 3.3Å; S3-W5 PolarHBondContact O-N 3.19Å; W5-F9 PolarHBondContact O-N 3.19Å
6I54.8Low49Very low125 Ų125114.3 Ų114.364%0.64163%0.625SS**Hα-helixtrans-69.7-40.5179.7-60.9171.9000110.4S3 F9 A10S3-I6 PolarHBondContact O-N 3.38Å; I6-F9 PolarHBondContact O-N 2.99Å; I6-A10 WeakPolarHBondContact O-CB 3.36Å; I6-A10 PolarHBondContact O-N 3.26Å
7T54.9Low48.6Very low80 Ų80114.2 Ų114.249%0.49163%0.629SS.*Hα-helixtrans-64.7-41.9176.743.10000112.4S3 A4 F9 A10 T11S3-T7 PolarHBondContact O-N 3.38Å; S3-T7 PolarHBondContact O-OG1 3.18Å; A4-T7 PolarHBondContact O-OG1 3.1Å; T7-F9 PolarHBondContact O-N 3.44Å; T7-A10 PolarHBondContact O-N 3.27Å; T7-T11 PolarHBondContact O-N 3.14Å; T7-T11 PolarHBondContact O-OG1 3.1Å; T7-T11 VanDerWaalsContact O-OG1 3.14Å
8M54.7Low47.8Very low129 Ų129114.9 Ų114.964%0.63563%0.632SS**Hα-helixtrans-60.1-42.1174.6-87-70.7-68.100113.5T11 L12M8-T11 PolarHBondContact O-OG1 2.69Å; M8-T11 VanDerWaalsContact O-OG1 3.1Å; M8-L12 WeakPolarHBondContact O-CB 3.39Å; M8-L12 PolarHBondContact O-N 2.84Å; M8-L12 VanDerWaalsContact O-N 3.14Å
9F54.7Low46.9Very low131 Ų131111.7 Ų111.758%0.57563%0.628SS**Hα-helixtrans-71.5-35.9176.3-95.5-84.6000112.6W5 I6 T7 L12 L13W5-F9 PolarHBondContact O-N 3.19Å; I6-F9 PolarHBondContact O-N 2.99Å; T7-F9 PolarHBondContact O-N 3.44Å; F9-L12 PolarHBondContact O-N 3.35Å; F9-L13 WeakPolarHBondContact O-CB 3.46Å; F9-L13 PolarHBondContact O-N 2.81Å
10A53.2Low46.2Very low48 Ų48112 Ų11240%0.39763%0.633SS.*Hα-helixtrans-65-42.2175.800000112.4I6 T7 L14I6-A10 WeakPolarHBondContact O-CB 3.36Å; I6-A10 PolarHBondContact O-N 3.26Å; T7-A10 PolarHBondContact O-N 3.27Å; A10-L14 WeakPolarHBondContact O-CB 3.46Å; A10-L14 WeakPolarHBondContact O-CG 3.41Å; A10-L14 PolarHBondContact O-N 2.82Å
11T53.4Low45.5Very low85 Ų85114.2 Ų114.252%0.52164%0.635SS.*Hα-helixtrans-69.5-36.6176.7520000112.4T7 M8 L14 A15T7-T11 PolarHBondContact O-N 3.14Å; T7-T11 PolarHBondContact O-OG1 3.1Å; T7-T11 VanDerWaalsContact O-OG1 3.14Å; M8-T11 PolarHBondContact O-OG1 2.69Å; M8-T11 VanDerWaalsContact O-OG1 3.1Å; T11-L14 PolarHBondContact O-N 2.97Å; T11-A15 WeakPolarHBondContact O-CB 3.32Å; T11-A15 PolarHBondContact O-N 2.84Å
12L46Very low44.4Very low101 Ų101110 Ų11053%0.52962%0.618SS.*Hα-helixtrans-65.4-41.4175.6-156.278.1000111.9M8 F9 A15 F16M8-L12 WeakPolarHBondContact O-CB 3.39Å; M8-L12 PolarHBondContact O-N 2.84Å; M8-L12 VanDerWaalsContact O-N 3.14Å; F9-L12 PolarHBondContact O-N 3.35Å; L12-A15 PolarHBondContact O-N 2.74Å; L12-F16 PolarHBondContact O-N 3.18Å
13L44.7Very low43.5Very low115 Ų115112.2 Ų112.260%0.60262%0.615SS**Hα-helixtrans-66.7-41.1175.4-82.8162.1000112.4F9 A15 F16 V17F9-L13 WeakPolarHBondContact O-CB 3.46Å; F9-L13 PolarHBondContact O-N 2.81Å; L13-A15 VanDerWaalsContact C-N 3.32Å; L13-A15 PolarHBondContact O-N 3.22Å; L13-F16 PolarHBondContact O-N 3.2Å; L13-V17 WeakPolarHBondContact O-CG2 3.21Å; L13-V17 PolarHBondContact O-N 2.96Å; L13-V17 VanDerWaalsContact O-N 3.09Å
14L42.3Very low42.7Very low117 Ų117113.2 Ų113.261%0.61362%0.617SS**Hα-helixtrans-64.7-34.9175-77165.2000112.5A10 T11 F16 V17 N18A10-L14 WeakPolarHBondContact O-CB 3.46Å; A10-L14 WeakPolarHBondContact O-CG 3.41Å; A10-L14 PolarHBondContact O-N 2.82Å; T11-L14 PolarHBondContact O-N 2.97Å; L14-F16 VanDerWaalsContact C-N 3.32Å; L14-F16 PolarHBondContact O-N 3.48Å; L14-V17 PolarHBondContact O-N 3.01Å; L14-N18 PolarHBondContact O-N 2.8Å
15A42.4Very low41.7Very low69 Ų69118.1 Ų118.157%0.5763%0.628SS**Hα-helixtrans-66.8-30.2173.800000113.2T11 L12 L13T11-A15 WeakPolarHBondContact O-CB 3.32Å; T11-A15 PolarHBondContact O-N 2.84Å; L12-A15 PolarHBondContact O-N 2.74Å; L13-A15 VanDerWaalsContact C-N 3.32Å; L13-A15 PolarHBondContact O-N 3.22Å
16F37.6Very low41.1Very low172 Ų172114.7 Ų114.775%0.75463%0.628SS**Hα-helixtrans-78.6-25.8173.1-95.1-83.1000113.8L12 L13 L14L12-F16 PolarHBondContact O-N 3.18Å; L13-F16 PolarHBondContact O-N 3.2Å; L14-F16 VanDerWaalsContact C-N 3.32Å; L14-F16 PolarHBondContact O-N 3.48Å
17V42Very low40.4Very low113 Ų113110.9 Ų110.969%0.68561%0.613SS**Hα-helixtrans-86.1-40.7179.5173.30000112.2L13 L14 G19L13-V17 WeakPolarHBondContact O-CG2 3.21Å; L13-V17 PolarHBondContact O-N 2.96Å; L13-V17 VanDerWaalsContact O-N 3.09Å; L14-V17 PolarHBondContact O-N 3.01Å; V17-G19 PolarHBondContact O-N 3.3Å
18N33.7Very low40.5Very low127 Ų127111 Ų11168%0.67962%0.615SS**  trans-87.130.9174-91.515.3000113.1L14 T20L14-N18 PolarHBondContact O-N 2.8Å; N18-T20 PolarHBondContact O-N 3.04Å
19G31.6Very low40.9Very low55 Ų55106.4 Ų106.457%0.56760%0.595SS**  trans-70.164161.800000111V17 K21V17-G19 PolarHBondContact O-N 3.3Å; G19-K21 PolarHBondContact O-N 3.39Å
20T32.8Very low41.5Very low117 Ų117101.1 Ų101.172%0.71857%0.574SS**  trans-64.289.116848.80000108.3N18 D22N18-T20 PolarHBondContact O-N 3.04Å; T20-D22 VanDerWaalsContact C-N 3.34Å; T20-D22 PolarHBondContact O-N 3.48Å
21K31.6Very low42.4Very low159 Ų159106.2 Ų106.269%0.69158%0.583SS**  trans-54108.8147.9-79.2174.7153-165.40106.5G19 E23G19-K21 PolarHBondContact O-N 3.39Å; K21-E23 HydrophobicContact CB-CG 3.83Å; K21-E23 HydrophobicContact CD-CG 3.83Å; K21-E23 HydrophobicContact CG-CG 4.43Å; K21-E23 IonicContact NZ-OE1 3.52Å; K21-E23 PolarHBondContact NZ-OE1 2.96Å; K21-E23 PolarHBondContact O-N 3.14Å
22D28.3Very low43.5Very low149 Ų149103.4 Ų103.480%0.79757%0.565SS**  trans-60.181.4140-74.4-49.3000106.6T20 V24T20-D22 VanDerWaalsContact C-N 3.34Å; T20-D22 PolarHBondContact O-N 3.48Å; D22-V24 PolarHBondContact O-N 3.45Å
23E27.9Very low45Very low117 Ų117104.1 Ų104.155%0.54757%0.566SS.*  trans-64.789.9157.5-71.9-156.7160.400105.7K21 H25K21-E23 HydrophobicContact CB-CG 3.83Å; K21-E23 HydrophobicContact CD-CG 3.83Å; K21-E23 HydrophobicContact CG-CG 4.43Å; K21-E23 IonicContact NZ-OE1 3.52Å; K21-E23 PolarHBondContact NZ-OE1 2.96Å; K21-E23 PolarHBondContact O-N 3.14Å; E23-H25 VanDerWaalsContact C-N 3.3Å; E23-H25 PolarHBondContact O-N 3.31Å; E23-H25 PolarHBondContact O-ND1 3.43Å
24V30.8Very low46.7Very low113 Ų11399 Ų9969%0.68554%0.54SS*.  trans-43.1104.8160.5179.20000105.7D22 T26D22-V24 PolarHBondContact O-N 3.45Å; V24-T26 HydrophobicContact CG1-CG2 4.15Å; V24-T26 PolarHBondContact O-N 3.44Å; V24-T26 PolarHBondContact O-OG1 3.01Å
25H30.1Very low47.9Very low171 Ų17197.2 Ų97.279%0.79254%0.537SS*.  trans-73.365.1175.2-87.13.2000108.3E23 S27E23-H25 VanDerWaalsContact C-N 3.3Å; E23-H25 PolarHBondContact O-N 3.31Å; E23-H25 PolarHBondContact O-ND1 3.43Å; H25-S27 PolarHBondContact O-N 3.24Å
26T35.4Very low49.4Very low115 Ų11597 Ų9771%0.70653%0.529SS*.  trans-56.286.6144.144.50000106.2V24V24-T26 HydrophobicContact CG1-CG2 4.15Å; V24-T26 PolarHBondContact O-N 3.44Å; V24-T26 PolarHBondContact O-OG1 3.01Å
27S40.7Very low51.4Low45 Ų4592.5 Ų92.532%0.31552%0.516SS..  trans-47.5128.5165.860.60000106.6H25 S29 R52H25-S27 PolarHBondContact O-N 3.24Å; S27-S29 PolarHBondContact O-N 3.49Å; S27-S29 VanDerWaalsContact O-N 3.14Å; S27-R52 PolarHBondContact OG-NH1 3.07Å
28P57Low53.5Low82 Ų8288.9 Ų88.953%0.53250%0.495SS..  trans-54.4129.2-174.923.9-34.6000108.2V30P28-V30 WeakPolarHBondContact CB-O 3.45Å; P28-V30 CarbonylContact O-C 3.55Å; P28-V30 PolarHBondContact O-N 2.96Å
29S62.4Low56.1Low33 Ų3383.3 Ų83.323%0.23147%0.465CS..SBendtrans-66.8-3.4-173.952.10000112.8S27 I51 R52 D54 C55S27-S29 PolarHBondContact O-N 3.49Å; S27-S29 VanDerWaalsContact O-N 3.14Å; S29-I51 CarbonylContact O-C 3.52Å; S29-I51 WeakPolarHBondContact O-CA 3.17Å; S29-I51 WeakPolarHBondContact O-CG2 3.37Å; S29-R52 PolarHBondContact O-N 3.14Å; S29-D54 VanDerWaalsContact CB-OD1 3.32Å; S29-D54 WeakPolarHBondContact CB-OD1 3.46Å; S29-C55 PolarHBondContact OG-SG 2.84Å; S29-C55 VanDerWaalsContact OG-SG 3.42Å
30V67.6Low58.8Low20 Ų2082.4 Ų82.412%0.12145%0.452CS..EExtended strand (participates in β ladder)trans-125.5133.8164.1-177.60000108.4P28 I50 I51 V142P28-V30 WeakPolarHBondContact CB-O 3.45Å; P28-V30 CarbonylContact O-C 3.55Å; P28-V30 PolarHBondContact O-N 2.96Å; V30-I50 CarbonylContact C-O 3.52Å; V30-I50 WeakPolarHBondContact CA-O 3.17Å; V30-I51 HydrophobicContact CG1-CG1 4.19Å; V30-I51 HydrophobicContact CG2-CB 4.46Å; V30-I51 HydrophobicContact CG2-CG1 4.18Å; V30-I51 HydrophobicContact CG2-CG2 3.84Å; V30-V142 HydrophobicContact CB-CB 4.49Å; V30-V142 WeakPolarHBondContact CB-O 3.44Å; V30-V142 HydrophobicContact CG1-CB 4.04Å; V30-V142 HydrophobicContact CG1-CG2 3.99Å; V30-V142 VanDerWaalsContact CG1-O 3.27Å; V30-V142 WeakPolarHBondContact CG1-O 3.5Å; V30-V142 HydrophobicContact CG2-CB 3.89Å
31R72.5Confident61.3Low155 Ų15579.4 Ų79.459%0.58543%0.431SS*.EExtended strand (participates in β ladder)trans-130.3117.9169.9178.5175.8-77.3-179.2-5.6109.9I50R31-I50 PolarHBondContact N-O 3.47Å; R31-I50 PolarHBondContact O-N 3.42Å
32V76.5Confident63.8Low26 Ų2673.2 Ų73.216%0.15841%0.413CS..EExtended strand (participates in β ladder)trans-92.8136.2166178.20000108.6S48 C49 W70 C131 V145V32-S48 CarbonylContact C-O 3.53Å; V32-S48 WeakPolarHBondContact CA-O 3.2Å; V32-C49 HydrophobicContact CG2-CB 4.17Å; V32-W70 HydrophobicContact CG1-CH2 4.11Å; V32-W70 HydrophobicContact CG1-CZ3 4.03Å; V32-C131 HydrophobicContact CG2-CB 3.65Å; V32-V145 HydrophobicContact CG1-CB 4.06Å; V32-V145 HydrophobicContact CG1-CG1 3.71Å
33H77.4Confident66.4Low116 Ų11668 Ų6854%0.53739%0.388SS..EExtended strand (participates in β ladder)trans-140.3137.5-178.9-178.261.4000110.9A47 S48H33-A47 CarbonylContact O-C 3.53Å; H33-A47 WeakPolarHBondContact O-CA 3.24Å; H33-A47 WeakPolarHBondContact O-CB 3.47Å; H33-S48 PolarHBondContact N-O 2.83Å; H33-S48 PolarHBondContact O-N 3.41Å
34T79.3Confident69.2Low9 Ų965.8 Ų65.86%0.05538%0.384CS..EExtended strand (participates in β ladder)trans-111.3144.4174.145.20000109.9T36 T46 A47 V145 I147T34-T36 PolarHBondContact O-N 3.34Å; T34-T46 WeakPolarHBondContact CA-O 3.32Å; T34-A47 HydrophobicContact CG2-CB 3.85Å; T34-V145 HydrophobicContact CG2-CB 4.38Å; T34-V145 HydrophobicContact CG2-CG1 3.63Å; T34-V145 HydrophobicContact CG2-CG2 3.86Å; T34-I147 HydrophobicContact CG2-CG1 4.39Å
35S69.3Low71.7Confident79 Ų7960.5 Ų60.555%0.55235%0.352SS*.SBendtrans-52.7-40.3173.555.30000112.7T46S35-T46 PolarHBondContact N-O 3.08Å; S35-T46 VanDerWaalsContact N-O 3.1Å
36T73.6Confident74.2Confident65 Ų6555.2 Ų55.240%0.39933%0.332SS..  trans-149.4129.9174.844.10000109.4T34 V38 V39T34-T36 PolarHBondContact O-N 3.34Å; T36-V38 VanDerWaalsContact C-N 3.28Å; T36-V38 WeakPolarHBondContact CB-O 3.18Å; T36-V38 PolarHBondContact O-N 3.47Å; T36-V39 WeakPolarHBondContact OG1-CG1 3.32Å
37P78.5Confident76.5Confident76 Ų7649.9 Ų49.949%0.49430%0.3SS..SBendtrans-78.6-11.7178.932.1-35.7000113.4R148P37-R148 PolarHBondContact O-N 3.26Å
38V87.1Confident78.4Confident38 Ų3848.9 Ų48.923%0.2329%0.293CS..EExtended strand (participates in β ladder)trans-125.5136.8171.3-168.70000108.7T36 R148 L183 A233 L234T36-V38 VanDerWaalsContact C-N 3.28Å; T36-V38 WeakPolarHBondContact CB-O 3.18Å; T36-V38 PolarHBondContact O-N 3.47Å; V38-R148 VanDerWaalsContact CA-O 3.3Å; V38-R148 WeakPolarHBondContact CA-O 3.18Å; V38-R148 HydrophobicContact CG1-CB 4.39Å; V38-R148 HydrophobicContact CG2-CB 4.43Å; V38-L183 HydrophobicContact CG1-CD1 3.9Å; V38-L183 HydrophobicContact CG1-CD2 3.72Å; V38-L183 HydrophobicContact CG1-CG 4.5Å; V38-A233 HydrophobicContact CB-CB 4.14Å; V38-A233 HydrophobicContact CG1-CB 3.98Å; V38-A233 HydrophobicContact CG2-CB 4.19Å; V38-L234 HydrophobicContact CG1-CD2 4.25Å; V38-L234 HydrophobicContact CG1-CG 4.49Å
39V88.1Confident79.5Confident9 Ų945 Ų456%0.05527%0.267CS..EExtended strand (participates in β ladder)trans-137.3163.8179.4-67.60000111.5T36 V45 I147 R148 A149 G150T36-V39 WeakPolarHBondContact OG1-CG1 3.32Å; V39-V45 HydrophobicContact CG1-CG2 4.13Å; V39-V45 HydrophobicContact CG2-CG2 3.87Å; V39-I147 HydrophobicContact CG2-CG2 4.26Å; V39-R148 PolarHBondContact N-O 2.78Å; V39-A149 HydrophobicContact CG2-CB 3.89Å; V39-A149 VanDerWaalsContact O-CA 3.28Å; V39-A149 WeakPolarHBondContact O-CA 3.35Å; V39-G150 PolarHBondContact O-N 3.38Å
40A87.6Confident80.2Confident36 Ų3646.9 Ų46.930%0.29827%0.274SS..EExtended strand (participates in β ladder)trans-73.9140.8168.800000110.2G42 S43 G150 L234A40-G42 PolarHBondContact O-N 2.81Å; A40-S43 WeakPolarHBondContact CB-OG 3.4Å; A40-S43 WeakPolarHBondContact O-CB 3.49Å; A40-S43 PolarHBondContact O-N 3.41Å; A40-S43 PolarHBondContact O-OG 3.46Å; A40-G150 CarbonylContact C-O 3.55Å; A40-G150 WeakPolarHBondContact CA-O 3.44Å; A40-L234 HydrophobicContact CB-CD1 4.07Å
41L86.4Confident80.5Confident54 Ų5446 Ų4628%0.28327%0.269SS..THydrogen-bonded Turntrans-60.8131.1-176-158.6151.9000110.8T125 A149 G150 F151L41-T125 HydrophobicContact CD1-CG2 3.95Å; L41-A149 HydrophobicContact CB-CB 4.36Å; L41-A149 HydrophobicContact CG-CB 4.45Å; L41-G150 PolarHBondContact N-O 3.37Å; L41-F151 HydrophobicContact CB-CE1 3.99Å; L41-F151 HydrophobicContact CB-CZ 4.01Å; L41-F151 HydrophobicContact CD1-CE2 4.37Å; L41-F151 HydrophobicContact CD1-CZ 4.23Å; L41-F151 HydrophobicContact CD2-CZ 4.46Å; L41-F151 HydrophobicContact CG-CZ 4.47Å
42G82.8Confident80.3Confident30 Ų3044 Ų4431%0.30926%0.261SS..THydrogen-bonded Turntrans85.7-4-172.400000115.3A40 S121 F122A40-G42 PolarHBondContact O-N 2.81Å; G42-S121 VanDerWaalsContact C-OG 3.32Å; G42-S121 WeakPolarHBondContact CA-OG 3.49Å; G42-S121 WeakPolarHBondContact O-CA 3.32Å; G42-S121 WeakPolarHBondContact O-CB 3.21Å; G42-S121 PolarHBondContact O-OG 3.03Å; G42-F122 WeakPolarHBondContact CA-O 3.29Å; G42-F122 PolarHBondContact N-O 3.43Å
43S84.3Confident79.5Confident38 Ų3847 Ų4727%0.26628%0.276SS..  trans-75.9159.1177.8-58.30000112.9A40 F122A40-S43 WeakPolarHBondContact CB-OG 3.4Å; A40-S43 WeakPolarHBondContact O-CB 3.49Å; A40-S43 PolarHBondContact O-N 3.41Å; A40-S43 PolarHBondContact O-OG 3.46Å; S43-F122 PolarHBondContact O-N 2.83Å
44P84.9Confident78.7Confident72 Ų7245 Ų4547%0.46827%0.27SS..  trans-70.8147.2171.528.4-35.1000112.7F118 I119 P120P44-F118 HydrophobicContact CB-CE2 3.83Å; P44-F118 HydrophobicContact CB-CZ 3.86Å; P44-I119 CarbonylContact C-O 3.56Å; P44-I119 WeakPolarHBondContact CA-O 3.48Å; P44-I119 WeakPolarHBondContact CB-O 3.19Å; P44-P120 WeakPolarHBondContact CA-O 3.47Å; P44-P120 WeakPolarHBondContact CB-O 3.43Å
45V84.2Confident78Confident1 Ų144.8 Ų44.81%0.00627%0.268CS..EExtended strand (participates in β ladder)trans-125.2133.5174.6-176.10000109.4V39 I119 F122 I147V39-V45 HydrophobicContact CG1-CG2 4.13Å; V39-V45 HydrophobicContact CG2-CG2 3.87Å; V45-I119 HydrophobicContact CB-CB 4.34Å; V45-I119 PolarHBondContact N-O 2.92Å; V45-I119 PolarHBondContact O-N 3.34Å; V45-F122 HydrophobicContact CG2-CB 3.77Å; V45-F122 HydrophobicContact CG2-CD2 4.22Å; V45-F122 HydrophobicContact CG2-CG 4.06Å; V45-I147 HydrophobicContact CG1-CD1 3.91Å; V45-I147 HydrophobicContact CG1-CG1 4.39Å; V45-I147 HydrophobicContact CG2-CG2 4.28Å
46T83.1Confident77.5Confident61 Ų6145.5 Ų45.537%0.37427%0.271SS..EExtended strand (participates in β ladder)trans-117.5133.8173.3-500000110T34 S35 V117T34-T46 WeakPolarHBondContact CA-O 3.32Å; S35-T46 PolarHBondContact N-O 3.08Å; S35-T46 VanDerWaalsContact N-O 3.1Å; T46-V117 WeakPolarHBondContact CA-O 3.19Å
47A82.8Confident76.8Confident3 Ų345.3 Ų45.33%0.02527%0.267CS..EExtended strand (participates in β ladder)trans-134.7151.2173.900000111.9H33 T34 W70 T116 V117 L129H33-A47 CarbonylContact O-C 3.53Å; H33-A47 WeakPolarHBondContact O-CA 3.24Å; H33-A47 WeakPolarHBondContact O-CB 3.47Å; T34-A47 HydrophobicContact CG2-CB 3.85Å; A47-W70 HydrophobicContact CB-CH2 3.92Å; A47-W70 HydrophobicContact CB-CZ3 4.18Å; A47-T116 CarbonylContact O-C 3.44Å; A47-T116 WeakPolarHBondContact O-CA 3.47Å; A47-V117 HydrophobicContact CB-CG1 4.03Å; A47-V117 PolarHBondContact N-O 3.12Å; A47-V117 PolarHBondContact O-N 3.03Å; A47-L129 HydrophobicContact CB-CD2 3.48Å; A47-L129 VanDerWaalsContact CB-CD2 3.48Å
48S80.6Confident75.8Confident24 Ų2443.1 Ų43.117%0.16825%0.251CS..EExtended strand (participates in β ladder)trans-120149171.160.40000111.1V32 H33 S115V32-S48 CarbonylContact C-O 3.53Å; V32-S48 WeakPolarHBondContact CA-O 3.2Å; H33-S48 PolarHBondContact N-O 2.83Å; H33-S48 PolarHBondContact O-N 3.41Å; S48-S115 CarbonylContact C-O 3.47Å; S48-S115 VanDerWaalsContact CA-O 3.29Å; S48-S115 WeakPolarHBondContact CA-O 3.32Å
49C80.3Confident73.9Confident0 Ų049 Ų490%027%0.273CS..EExtended strand (participates in β ladder)trans-125.7112.6173.4-1790000107.7V32 W70 N114 S115 C131V32-C49 HydrophobicContact CG2-CB 4.17Å; C49-W70 HydrophobicContact CB-CH2 3.59Å; C49-W70 HydrophobicContact CB-CZ2 3.41Å; C49-W70 VanDerWaalsContact CB-CZ2 3.41Å; C49-W70 HydrophobicContact CB-CZ3 4.49Å; C49-N114 WeakPolarHBondContact O-CA 3.4Å; C49-S115 PolarHBondContact N-O 2.82Å; C49-S115 PolarHBondContact O-N 2.93Å; C49-C131 HydrophobicContact CB-CB 3.61Å; C49-C131 WeakPolarHBondContact CB-SG 3.36Å; C49-C131 WeakPolarHBondContact SG-CB 3.35Å; C49-C131 CovalentContact SG-SG 2.03Å; C49-C131 PolarHBondContact SG-SG 3.18Å
50I77.1Confident72.1Confident73 Ų7352.3 Ų52.337%0.37431%0.31SS..EExtended strand (participates in β ladder)trans-112.6118.9-175.8-56.4173.8000107.8V30 R31 W113V30-I50 CarbonylContact C-O 3.52Å; V30-I50 WeakPolarHBondContact CA-O 3.17Å; R31-I50 PolarHBondContact N-O 3.47Å; R31-I50 PolarHBondContact O-N 3.42Å; I50-W113 CarbonylContact C-O 3.49Å; I50-W113 WeakPolarHBondContact CA-O 3.39Å
51I73.1Confident70.1Confident2 Ų251.7 Ų51.71%0.0130%0.304CS..EExtended strand (participates in β ladder)trans-112.3126.8176.3-44178.4000108.1S29 V30 C55 I58 I68 G112 W113 V133 V142S29-I51 CarbonylContact O-C 3.52Å; S29-I51 WeakPolarHBondContact O-CA 3.17Å; S29-I51 WeakPolarHBondContact O-CG2 3.37Å; V30-I51 HydrophobicContact CG1-CG1 4.19Å; V30-I51 HydrophobicContact CG2-CB 4.46Å; V30-I51 HydrophobicContact CG2-CG1 4.18Å; V30-I51 HydrophobicContact CG2-CG2 3.84Å; I51-C55 HydrophobicContact CG2-CB 3.76Å; I51-I58 HydrophobicContact CB-CD1 4.21Å; I51-I58 HydrophobicContact CG2-CD1 3.59Å; I51-I68 HydrophobicContact CD1-CD1 3.91Å; I51-I68 HydrophobicContact CD1-CG1 4.28Å; I51-I68 HydrophobicContact CG1-CD1 4.42Å; I51-G112 CarbonylContact O-C 3.55Å; I51-G112 WeakPolarHBondContact O-CA 3.37Å; I51-W113 HydrophobicContact CB-CB 4.25Å; I51-W113 PolarHBondContact N-O 2.93Å; I51-W113 PolarHBondContact O-N 2.82Å; I51-V133 HydrophobicContact CD1-CG2 3.55Å; I51-V142 HydrophobicContact CD1-CG2 4.17Å
52R68.6Low68.1Low113 Ų11353.6 Ų53.643%0.42632%0.318SS..EExtended strand (participates in β ladder)trans-81.5148.3179.3-69.3171.154120.712.2110.8S27 S29 D54 C55S27-R52 PolarHBondContact OG-NH1 3.07Å; S29-R52 PolarHBondContact O-N 3.14Å; R52-D54 WeakPolarHBondContact CB-OD1 3.46Å; R52-D54 IonicContact CZ-OD2 2.74Å; R52-D54 IonicContact NE-OD1 2.77Å; R52-D54 PolarHBondContact NE-OD1 2.78Å; R52-D54 IonicContact NE-OD2 2.7Å; R52-D54 PolarHBondContact NE-OD2 3.36Å; R52-D54 IonicContact NH2-OD2 3.12Å; R52-D54 PolarHBondContact NH2-OD2 3.09Å; R52-D54 PolarHBondContact O-N 2.79Å; R52-D54 VanDerWaalsContact O-N 3.1Å; R52-C55 WeakPolarHBondContact O-CB 3.42Å; R52-C55 PolarHBondContact O-N 3.01Å
53D61.2Low66.2Low89 Ų8962.7 Ų62.748%0.47634%0.343SS..THydrogen-bonded Turntrans-65.1-13.1179.3-67.8-9.6000113.9C55 S111 G112D53-C55 VanDerWaalsContact C-N 3.27Å; D53-S111 WeakPolarHBondContact OD2-CA 3.27Å; D53-G112 WeakPolarHBondContact OD1-CA 3.4Å; D53-G112 PolarHBondContact OD1-N 2.8Å
54D60.3Low64.3Low74 Ų7468.7 Ų68.740%0.39637%0.367SS..THydrogen-bonded Turntrans-76.6-9.5171.452.537.3000113.9S29 R52S29-D54 VanDerWaalsContact CB-OD1 3.32Å; S29-D54 WeakPolarHBondContact CB-OD1 3.46Å; R52-D54 WeakPolarHBondContact CB-OD1 3.46Å; R52-D54 IonicContact CZ-OD2 2.74Å; R52-D54 IonicContact NE-OD1 2.77Å; R52-D54 PolarHBondContact NE-OD1 2.78Å; R52-D54 IonicContact NE-OD2 2.7Å; R52-D54 PolarHBondContact NE-OD2 3.36Å; R52-D54 IonicContact NH2-OD2 3.12Å; R52-D54 PolarHBondContact NH2-OD2 3.09Å; R52-D54 PolarHBondContact O-N 2.79Å; R52-D54 VanDerWaalsContact O-N 3.1Å
55C63.2Low62.3Low3 Ų371.5 Ų71.52%0.0238%0.377CS..  trans-64125-178.9-164.10000112.1S29 I51 R52 D53 L57 I58S29-C55 PolarHBondContact OG-SG 2.84Å; S29-C55 VanDerWaalsContact OG-SG 3.42Å; I51-C55 HydrophobicContact CG2-CB 3.76Å; R52-C55 WeakPolarHBondContact O-CB 3.42Å; R52-C55 PolarHBondContact O-N 3.01Å; D53-C55 VanDerWaalsContact C-N 3.27Å; C55-L57 PolarHBondContact O-N 3.39Å; C55-L57 VanDerWaalsContact O-N 3.14Å; C55-I58 PolarHBondContact O-N 2.96Å
56P60.2Low60.8Low95 Ų9572.1 Ų72.162%0.61738%0.381SS*.THydrogen-bonded Turntrans-65-18.7-179.926.5-34.7000113.5I58 K59P56-I58 PolarHBondContact O-N 2.83Å; P56-K59 PolarHBondContact O-N 3.13Å
57L58.5Low59.9Low60 Ų6075.2 Ų75.231%0.31439%0.391SS..THydrogen-bonded Turntrans-70.5-10.5179.1-57.2179.1000114.3C55 V142C55-L57 PolarHBondContact O-N 3.39Å; C55-L57 VanDerWaalsContact O-N 3.14Å; L57-V142 HydrophobicContact CD1-CG1 3.73Å
58I56.9Low59.4Low31 Ų3176.4 Ų76.416%0.15940%0.396CS..THydrogen-bonded Turntrans-110.7-14-178.6-62.1174000111.4I51 C55 P56 G60 A61 W113I51-I58 HydrophobicContact CB-CD1 4.21Å; I51-I58 HydrophobicContact CG2-CD1 3.59Å; C55-I58 PolarHBondContact O-N 2.96Å; P56-I58 PolarHBondContact O-N 2.83Å; I58-G60 PolarHBondContact O-N 2.84Å; I58-A61 PolarHBondContact O-N 2.85Å; I58-W113 HydrophobicContact CD1-CG 4.19Å
59K47.7Very low59.2Low160 Ų16076.1 Ų76.170%0.69639%0.393SS*.THydrogen-bonded Turntrans-70.5100.1-177-74.6-176.3175.8173.70111.9P56P56-K59 PolarHBondContact O-N 3.13Å
60G50.7Low59.2Low80 Ų8076.8 Ų76.883%0.82540%0.396SS*.THydrogen-bonded Turntrans112.8-0.8178.900000114.6I58I58-G60 PolarHBondContact O-N 2.84Å
61A46.3Very low59.3Low22 Ų2275.2 Ų75.218%0.18239%0.387CS..  trans-68.9143.5178.500000112.9I58 N66I58-A61 PolarHBondContact O-N 2.85Å; A61-N66 WeakPolarHBondContact CB-ND2 3.37Å
62V42.7Very low59.7Low94 Ų9475.8 Ų75.857%0.5739%0.39SS*.  trans-84.6126.8171.2-179.40000109.5H64 L65V62-H64 PolarHBondContact O-N 3.38Å; V62-L65 PolarHBondContact O-N 2.83Å
63W44.5Very low60.3Low222 Ų22273.7 Ų73.784%0.84139%0.387SS*.THydrogen-bonded Turntrans-56.1-2.7-171.1-61.289000117.6
64H44.1Very low60.9Low164 Ų16478 Ų7876%0.75941%0.405SS*.THydrogen-bonded Turntrans-120.94.5-171.7-64-51.5000115.2V62V62-H64 PolarHBondContact O-N 3.38Å
65L41.7Very low61.7Low131 Ų13183.9 Ų83.969%0.68642%0.421SS*.THydrogen-bonded Turntrans-126.9-15.6-173.2-81.3163.5000116V62V62-L65 PolarHBondContact O-N 2.83Å
66N53Low62.2Low14 Ų1488.6 Ų88.68%0.07545%0.445CS..  trans-94.7130.4-178.1-70.59.5000111.3A61 W113 L134 H135A61-N66 WeakPolarHBondContact CB-ND2 3.37Å; N66-W113 HydrophobicContact CB-CH2 3.84Å; N66-W113 HydrophobicContact CB-CZ3 4.35Å; N66-W113 WeakPolarHBondContact O-CZ3 3.42Å; N66-L134 WeakPolarHBondContact CA-O 3.3Å; N66-H135 PolarHBondContact ND2-CD2 2.87Å; N66-H135 PolarHBondContact ND2-NE2 2.95Å; N66-H135 VanDerWaalsContact ND2-NE2 3.18Å; N66-H135 PolarHBondContact OD1-ND1 2.96Å
67H65.6Low62.8Low126 Ų12684.6 Ų84.658%0.58342%0.419SS*.EExtended strand (participates in β ladder)trans-125.7141.3173.2-66-74.3000111.1V69 L134H67-V69 HydrophobicContact CB-CG2 4.42Å; H67-L134 PolarHBondContact O-N 3.45Å
68I72Confident62.9Low28 Ų2885.2 Ų85.214%0.14443%0.426CS..EExtended strand (participates in β ladder)trans-79129.4165.4-65.1171.5000107.8I51 W113 C131 C132 V133I51-I68 HydrophobicContact CD1-CD1 3.91Å; I51-I68 HydrophobicContact CD1-CG1 4.28Å; I51-I68 HydrophobicContact CG1-CD1 4.42Å; I68-W113 HydrophobicContact CD1-CB 4.1Å; I68-W113 HydrophobicContact CD1-CE3 4.15Å; I68-W113 HydrophobicContact CG1-CE3 4.23Å; I68-C131 VanDerWaalsContact CG2-SG 3.52Å; I68-C132 WeakPolarHBondContact CA-O 3.4Å; I68-V133 HydrophobicContact CG1-CG2 4.31Å
69V75.3Confident62.8Low18 Ų1888 Ų8811%0.10945%0.448CS..EExtended strand (participates in β ladder)trans-129.7143.4177.5-165.10000109.8H67 L76 C132 L134H67-V69 HydrophobicContact CB-CG2 4.42Å; V69-L76 HydrophobicContact CG1-CD1 3.53Å; V69-L76 HydrophobicContact CG1-CG 4.11Å; V69-C132 PolarHBondContact N-O 2.87Å; V69-C132 PolarHBondContact O-N 2.82Å; V69-L134 HydrophobicContact CG2-CB 4.35Å; V69-L134 HydrophobicContact CG2-CD1 3.92Å
70W80.1Confident62.7Low13 Ų1384.1 Ų84.15%0.04944%0.442CS..EExtended strand (participates in β ladder)trans-104.8137.4-176.6-67.888.2000110.9V32 A47 C49 I77 S115 V117 L129 T130 C131V32-W70 HydrophobicContact CG1-CH2 4.11Å; V32-W70 HydrophobicContact CG1-CZ3 4.03Å; A47-W70 HydrophobicContact CB-CH2 3.92Å; A47-W70 HydrophobicContact CB-CZ3 4.18Å; C49-W70 HydrophobicContact CB-CH2 3.59Å; C49-W70 HydrophobicContact CB-CZ2 3.41Å; C49-W70 VanDerWaalsContact CB-CZ2 3.41Å; C49-W70 HydrophobicContact CB-CZ3 4.49Å; W70-I77 HydrophobicContact CB-CB 4.36Å; W70-I77 HydrophobicContact CB-CD1 4.11Å; W70-I77 HydrophobicContact CB-CG1 4.5Å; W70-I77 PolarHBondContact O-N 3.26Å; W70-S115 PolarHBondContact NE1-OG 2.87Å; W70-V117 HydrophobicContact CB-CG2 4.41Å; W70-V117 HydrophobicContact CD2-CB 3.92Å; W70-V117 HydrophobicContact CD2-CG1 3.49Å; W70-V117 VanDerWaalsContact CD2-CG1 3.49Å; W70-V117 HydrophobicContact CE3-CG1 3.73Å; W70-V117 HydrophobicContact CG-CB 3.87Å; W70-V117 HydrophobicContact CG-CG1 3.93Å; W70-V117 HydrophobicContact CG-CG2 4.27Å; W70-V117 HydrophobicContact CH2-CG1 4.02Å; W70-V117 HydrophobicContact CZ2-CB 4.4Å; W70-V117 HydrophobicContact CZ2-CG1 3.84Å; W70-V117 HydrophobicContact CZ3-CG1 3.99Å; W70-L129 HydrophobicContact CE3-CD1 3.85Å; W70-L129 HydrophobicContact CE3-CD2 4.13Å; W70-L129 HydrophobicContact CE3-CG 3.71Å; W70-L129 HydrophobicContact CZ3-CD1 4.43Å; W70-L129 HydrophobicContact CZ3-CD2 3.93Å; W70-L129 HydrophobicContact CZ3-CG 3.79Å; W70-T130 WeakPolarHBondContact CA-O 3.43Å; W70-C131 HydrophobicContact CE3-CB 4.13Å; W70-C131 HydrophobicContact CH2-CB 4.3Å; W70-C131 HydrophobicContact CZ3-CB 4.01Å
71H79.7Confident62Low41 Ų4185.9 Ų85.919%0.1944%0.439CS..EExtended strand (participates in β ladder)trans-119.2132.6167.2-62.1-121.3000110.1Q74 R75 L76 T130H71-Q74 PolarHBondContact ND1-O 2.91Å; H71-R75 CarbonylContact C-O 3.59Å; H71-R75 WeakPolarHBondContact CA-O 2.98Å; H71-L76 WeakPolarHBondContact CE1-CD1 3.29Å; H71-L76 WeakPolarHBondContact NE2-CD1 3.01Å; H71-T130 WeakPolarHBondContact CB-OG1 3.04Å; H71-T130 PolarHBondContact N-O 2.78Å; H71-T130 PolarHBondContact O-N 3.2Å; H71-T130 PolarHBondContact O-OG1 2.75Å
72L82.1Confident61.3Low13 Ų1388 Ų887%0.06846%0.457CS..EExtended strand (participates in β ladder)trans-94.4117.1164.4176.559000108.8Q74 R75 I77 W99 I119 F122 L129L72-Q74 VanDerWaalsContact C-N 3.34Å; L72-Q74 PolarHBondContact O-N 2.88Å; L72-R75 PolarHBondContact N-O 2.97Å; L72-R75 PolarHBondContact O-N 3.02Å; L72-I77 HydrophobicContact CB-CD1 4.28Å; L72-W99 HydrophobicContact CD2-CH2 3.84Å; L72-W99 HydrophobicContact CD2-CZ3 4.33Å; L72-I119 HydrophobicContact CD2-CD1 4.49Å; L72-F122 HydrophobicContact CD1-CE2 3.77Å; L72-F122 HydrophobicContact CD1-CZ 4.37Å; L72-F122 HydrophobicContact CD2-CD2 4.34Å; L72-F122 HydrophobicContact CD2-CE2 3.93Å; L72-L129 HydrophobicContact CB-CD1 4.49Å
73N81.1Confident60.5Low69 Ų6988.2 Ų88.237%0.36947%0.468SS..THydrogen-bonded Turntrans57.3-87.5-169.8-62.7-44.3000111.6D124 G127 Y128N73-D124 PolarHBondContact ND2-OD2 2.84Å; N73-G127 VanDerWaalsContact OD1-CA 3.29Å; N73-G127 WeakPolarHBondContact OD1-CA 3.46Å; N73-Y128 PolarHBondContact N-O 3.48Å; N73-Y128 PolarHBondContact OD1-N 3.02Å
74Q72.6Confident59.7Low181 Ų18182 Ų8285%0.84646%0.464SS*.THydrogen-bonded Turntrans-126.2-10.3173.5-65.5178.8-700112.8H71 L72H71-Q74 PolarHBondContact ND1-O 2.91Å; L72-Q74 VanDerWaalsContact C-N 3.34Å; L72-Q74 PolarHBondContact O-N 2.88Å
75R77.1Confident58.9Low196 Ų19682.3 Ų82.374%0.7447%0.471SS*.EExtended strand (participates in β ladder)trans-83.4126.5-175.3-65.9179.7178.4165-0.3110.6H71 L72H71-R75 CarbonylContact C-O 3.59Å; H71-R75 WeakPolarHBondContact CA-O 2.98Å; L72-R75 PolarHBondContact N-O 2.97Å; L72-R75 PolarHBondContact O-N 3.02Å
76L74.8Confident58.5Low102 Ų10284.7 Ų84.753%0.53448%0.479SS..EExtended strand (participates in β ladder)trans-63132.4171.5-16178.6000110V69 H71V69-L76 HydrophobicContact CG1-CD1 3.53Å; V69-L76 HydrophobicContact CG1-CG 4.11Å; H71-L76 WeakPolarHBondContact CE1-CD1 3.29Å; H71-L76 WeakPolarHBondContact NE2-CD1 3.01Å
77I72.1Confident57.4Low11 Ų1189.8 Ų89.86%0.05652%0.516CS..PPolyproline II helixtrans-90116.3169.4-57.5178.4000107.3W70 L72 W99 V117 I119 L129W70-I77 HydrophobicContact CB-CB 4.36Å; W70-I77 HydrophobicContact CB-CD1 4.11Å; W70-I77 HydrophobicContact CB-CG1 4.5Å; W70-I77 PolarHBondContact O-N 3.26Å; L72-I77 HydrophobicContact CB-CD1 4.28Å; I77-W99 HydrophobicContact CD1-CE3 4.47Å; I77-W99 HydrophobicContact CD1-CZ3 4.44Å; I77-W99 HydrophobicContact CG1-CE3 4.43Å; I77-W99 HydrophobicContact CG2-CB 4.4Å; I77-W99 HydrophobicContact CG2-CE3 4.25Å; I77-V117 HydrophobicContact CD1-CG2 3.91Å; I77-V117 HydrophobicContact CG2-CG2 4.17Å; I77-I119 HydrophobicContact CD1-CD1 4.33Å; I77-I119 HydrophobicContact CD1-CG1 4.49Å; I77-L129 HydrophobicContact CD1-CD1 3.91Å
78P60.1Low55.7Low73 Ų7387.2 Ų87.247%0.47452%0.523SS..PPolyproline II helixtrans-64.2145-175.7-22.133.7000112.7S101P78-S101 WeakPolarHBondContact O-CB 3.44Å; P78-S101 PolarHBondContact O-OG 2.86Å
79S55.1Low53.6Low89 Ų8997.3 Ų97.362%0.62256%0.559SS**PPolyproline II helixtrans-97.3126.3172.843.50000111.7S101S79-S101 WeakPolarHBondContact CA-OG 3.42Å
80S45.3Very low51.2Low79 Ų79103.3 Ų103.355%0.55260%0.596SS**PPolyproline II helixtrans-95.2125.7178.5-173.60000112.1A82 S101S80-A82 PolarHBondContact O-N 2.81Å; S80-S101 PolarHBondContact N-OG 2.86Å
81P36.2Very low49.1Very low117 Ų117108.1 Ų108.176%0.7663%0.632SS**  trans-84.395.3176.532.7-32.6000111.5A83P81-A83 PolarHBondContact O-N 2.03Å
82A32.2Very low46.5Very low68 Ų68111 Ų11156%0.56266%0.663SS**  trans-77.5105.1173.200000110.9S80 Y105S80-A82 PolarHBondContact O-N 2.81Å; A82-Y105 PolarHBondContact O-OH 2.9Å
83A26Very low43.8Very low98 Ų98115 Ų11581%0.8170%0.697SS**  trans-62.8145.4-178.400000113P81P81-A83 PolarHBondContact O-N 2.03Å
84A28.6Very low41.2Very low92 Ų92116.6 Ų116.676%0.7672%0.72SS**  trans-75.1127.8175.300000111.6
85N25.9Very low39.1Very low169 Ų169114 Ų11490%0.90471%0.712SS**  trans-163.4160.5147.7-108.4-20.5000110.9
86E33.3Very low37.1Very low181 Ų181114.7 Ų114.785%0.84672%0.724SS**  trans-80.2161-176.9-60.8-177.5118.400113.2
87S29.7Very low35.5Very low122 Ų122113.9 Ų113.985%0.85373%0.727SS**SBendtrans73.9122.316777.90000119.5
88G30.5Very low33.7Very low71 Ų71115.4 Ų115.473%0.73275%0.745SS**  trans48.8102.3137.600000121.9
89R28.1Very low32.7Very low241 Ų241116.4 Ų116.491%0.90974%0.739SS**  trans54.4114.3152.6-67.7177.2166.6175.9-4.3117.6
90T24.8Very low31.7Very low143 Ų143117.4 Ų117.488%0.87774%0.737SS**  -171.2174.3101.320.10000112.6
91S35.2Very low31.2Very low115 Ų115114.3 Ų114.380%0.80472%0.715SS**  trans-58.9146.8179.548.80000115.7
92A25.9Very low31.2Very low102 Ų102112.6 Ų112.684%0.84370%0.703SS**  trans-115.4148.4155.400000109.6
93A25.9Very low31.5Very low95 Ų95112.6 Ų112.679%0.78570%0.696SS**PPolyproline II helixtrans-77.4152-174.300000113
94A25.9Very low31.9Very low103 Ų103113.9 Ų113.985%0.85169%0.688SS**PPolyproline II helixtrans-84.8120.8172.300000110.5
95N29.3Very low32.1Very low128 Ų128117.2 Ų117.268%0.68468%0.682SS**PPolyproline II helixtrans-89.2148.9165.6-70.8-4.8000109.8S97 G98N95-S97 PolarHBondContact O-N 3.28Å; N95-G98 PolarHBondContact O-N 3.3Å; N95-G98 VanDerWaalsContact O-N 3.11Å
96E35.3Very low32.5Very low210 Ų210113.4 Ų113.498%0.98167%0.668SS**THydrogen-bonded Turntrans-63.2-5.2-166.2-60.3-177.9127.400116
97S41.1Very low32.6Very low85 Ų85110.9 Ų110.959%0.59467%0.665SS**THydrogen-bonded Turntrans-78.2-19172.757.40000114.2N95 W99N95-S97 PolarHBondContact O-N 3.28Å; S97-W99 PolarHBondContact O-N 2.87Å; S97-W99 PolarHBondContact O-NE1 3.04Å
98G33.7Very low33.1Very low43 Ų43109.8 Ų109.844%0.44366%0.663SS.*  trans69.3-16.5169.500000118.9N95 I100 P120N95-G98 PolarHBondContact O-N 3.3Å; N95-G98 VanDerWaalsContact O-N 3.11Å; G98-I100 PolarHBondContact O-N 2.91Å; G98-I100 VanDerWaalsContact O-N 3.1Å; G98-P120 WeakPolarHBondContact O-CG 3.33Å
99W38.2Very low33.4Very low93 Ų93112.5 Ų112.535%0.35266%0.661SS.*  trans-74.897.5-179.1-52.893.7000112.6L72 I77 S97 S101 I119L72-W99 HydrophobicContact CD2-CH2 3.84Å; L72-W99 HydrophobicContact CD2-CZ3 4.33Å; I77-W99 HydrophobicContact CD1-CE3 4.47Å; I77-W99 HydrophobicContact CD1-CZ3 4.44Å; I77-W99 HydrophobicContact CG1-CE3 4.43Å; I77-W99 HydrophobicContact CG2-CB 4.4Å; I77-W99 HydrophobicContact CG2-CE3 4.25Å; S97-W99 PolarHBondContact O-N 2.87Å; S97-W99 PolarHBondContact O-NE1 3.04Å; W99-S101 PolarHBondContact O-N 2.94Å; W99-I119 HydrophobicContact CE3-CG1 4.32Å; W99-I119 HydrophobicContact CE3-CG2 4.31Å; W99-I119 HydrophobicContact CH2-CG2 4.17Å; W99-I119 HydrophobicContact CZ3-CB 4.16Å; W99-I119 HydrophobicContact CZ3-CD1 4.09Å; W99-I119 HydrophobicContact CZ3-CG1 3.83Å; W99-I119 HydrophobicContact CZ3-CG2 3.54Å
100I35.6Very low34.1Very low111 Ų111109.2 Ų109.257%0.56966%0.656SS**  trans-88.191.8170.5-55.4178.9000109.4G98 T102G98-I100 PolarHBondContact O-N 2.91Å; G98-I100 VanDerWaalsContact O-N 3.1Å; I100-T102 PolarHBondContact O-N 2.89Å; I100-T102 VanDerWaalsContact O-N 3.12Å
101S35Very low35.4Very low13 Ų13107 Ų1079%0.09165%0.646CS.*  trans-74.794.5166.371.40000109.9P78 S79 S80 W99 V103P78-S101 WeakPolarHBondContact O-CB 3.44Å; P78-S101 PolarHBondContact O-OG 2.86Å; S79-S101 WeakPolarHBondContact CA-OG 3.42Å; S80-S101 PolarHBondContact N-OG 2.86Å; W99-S101 PolarHBondContact O-N 2.94Å; S101-V103 PolarHBondContact O-N 2.88Å
102T35.9Very low36.5Very low82 Ų82103.1 Ų103.150%0.50362%0.624SS.*  trans-76.879.5161.9-49.30000108.1I100 L104I100-T102 PolarHBondContact O-N 2.89Å; I100-T102 VanDerWaalsContact O-N 3.12Å; T102-L104 HydrophobicContact CG2-CG 4.26Å; T102-L104 PolarHBondContact O-N 3.44Å
103V36.9Very low38.3Very low68 Ų68101.2 Ų101.241%0.41260%0.596SS.*  trans-71.185169.2-176.30000107S101 Y105S101-V103 PolarHBondContact O-N 2.88Å; V103-Y105 PolarHBondContact O-N 2.86Å
104L34.4Very low40.5Very low124 Ų124100.8 Ų100.865%0.64958%0.58SS**  trans-57122.6164.2-77167.8000107.3T102T102-L104 HydrophobicContact CG2-CG 4.26Å; T102-L104 PolarHBondContact O-N 3.44Å
105Y33.7Very low42.7Very low163 Ų16396.4 Ų96.464%0.63954%0.543SS*.  trans-50.6146.9-179.9-72.2-89.7000111.1A82 V103 V107A82-Y105 PolarHBondContact O-OH 2.9Å; V103-Y105 PolarHBondContact O-N 2.86Å; Y105-V107 PolarHBondContact O-N 3.03Å
106S34.7Very low44.9Very low88 Ų8892.6 Ų92.662%0.61553%0.525SS*.  trans-56.4100.7174.652.40000110.3A108S106-A108 PolarHBondContact O-N 2.86Å
107V35.5Very low46.9Very low129 Ų12982.9 Ų82.978%0.78248%0.48SS*.  trans-70.587.2171-178.80000107.1Y105 N109Y105-V107 PolarHBondContact O-N 3.03Å; V107-N109 HydrophobicContact CG1-CB 4.36Å; V107-N109 PolarHBondContact O-N 2.97Å
108A39.4Very low48.8Very low98 Ų9882.6 Ų82.681%0.8147%0.468SS*.  trans-71.277.5178.600000110S106S106-A108 PolarHBondContact O-N 2.86Å
109N36.5Very low50.9Low128 Ų12880.5 Ų80.568%0.68445%0.447SS*.  trans-128.976.5172.1-156.17.5000110.3V107V107-N109 HydrophobicContact CG1-CB 4.36Å; V107-N109 PolarHBondContact O-N 2.97Å
110Q42.5Very low52.6Low173 Ų17378.4 Ų78.481%0.80845%0.445SS*.SBendtrans64.9117.9168.1-51.9-176.28.700117.1
111S52.4Low54.8Low95 Ų9576 Ų7666%0.66444%0.438SS*.SBendtrans87.116.1161.776.60000121.3D53D53-S111 WeakPolarHBondContact OD2-CA 3.27Å
112G57.9Low57.1Low34 Ų3475.5 Ų75.535%0.35143%0.434SS..EExtended strand (participates in β ladder)trans174.1164.4164.700000117.6I51 D53I51-G112 CarbonylContact O-C 3.55Å; I51-G112 WeakPolarHBondContact O-CA 3.37Å; D53-G112 WeakPolarHBondContact OD1-CA 3.4Å; D53-G112 PolarHBondContact OD1-N 2.8Å
113W64.6Low59.4Low62 Ų6276 Ų7624%0.23544%0.438CS..EExtended strand (participates in β ladder)trans-88.1132.3166-68.451.7000109.4I50 I51 I58 N66 I68I50-W113 CarbonylContact C-O 3.49Å; I50-W113 WeakPolarHBondContact CA-O 3.39Å; I51-W113 HydrophobicContact CB-CB 4.25Å; I51-W113 PolarHBondContact N-O 2.93Å; I51-W113 PolarHBondContact O-N 2.82Å; I58-W113 HydrophobicContact CD1-CG 4.19Å; N66-W113 HydrophobicContact CB-CH2 3.84Å; N66-W113 HydrophobicContact CB-CZ3 4.35Å; N66-W113 WeakPolarHBondContact O-CZ3 3.42Å; I68-W113 HydrophobicContact CD1-CB 4.1Å; I68-W113 HydrophobicContact CD1-CE3 4.15Å; I68-W113 HydrophobicContact CG1-CE3 4.23Å
114N72Confident61.6Low86 Ų8675.5 Ų75.546%0.4643%0.432SS..EExtended strand (participates in β ladder)trans-129.7129.8174.3-175.412.3000109.7C49C49-N114 WeakPolarHBondContact O-CA 3.4Å
115S73.1Confident64Low12 Ų1272.7 Ų72.78%0.08442%0.421CS..EExtended strand (participates in β ladder)trans-127.2136.3172.71780000109.5S48 C49 W70S48-S115 CarbonylContact C-O 3.47Å; S48-S115 VanDerWaalsContact CA-O 3.29Å; S48-S115 WeakPolarHBondContact CA-O 3.32Å; C49-S115 PolarHBondContact N-O 2.82Å; C49-S115 PolarHBondContact O-N 2.93Å; W70-S115 PolarHBondContact NE1-OG 2.87Å
116T74.6Confident66.6Low47 Ų4769.1 Ų69.129%0.28841%0.408SS..EExtended strand (participates in β ladder)trans-114.9139.4174.250.60000110.9A47A47-T116 CarbonylContact O-C 3.44Å; A47-T116 WeakPolarHBondContact O-CA 3.47Å
117V77.6Confident69Low7 Ų765 Ų654%0.04238%0.379CS..EExtended strand (participates in β ladder)trans-121.1139.4171.165.10000110.4T46 A47 W70 I77 L129T46-V117 WeakPolarHBondContact CA-O 3.19Å; A47-V117 HydrophobicContact CB-CG1 4.03Å; A47-V117 PolarHBondContact N-O 3.12Å; A47-V117 PolarHBondContact O-N 3.03Å; W70-V117 HydrophobicContact CB-CG2 4.41Å; W70-V117 HydrophobicContact CD2-CB 3.92Å; W70-V117 HydrophobicContact CD2-CG1 3.49Å; W70-V117 VanDerWaalsContact CD2-CG1 3.49Å; W70-V117 HydrophobicContact CE3-CG1 3.73Å; W70-V117 HydrophobicContact CG-CB 3.87Å; W70-V117 HydrophobicContact CG-CG1 3.93Å; W70-V117 HydrophobicContact CG-CG2 4.27Å; W70-V117 HydrophobicContact CH2-CG1 4.02Å; W70-V117 HydrophobicContact CZ2-CB 4.4Å; W70-V117 HydrophobicContact CZ2-CG1 3.84Å; W70-V117 HydrophobicContact CZ3-CG1 3.99Å; I77-V117 HydrophobicContact CD1-CG2 3.91Å; I77-V117 HydrophobicContact CG2-CG2 4.17Å; V117-L129 HydrophobicContact CG1-CD1 4.42Å; V117-L129 HydrophobicContact CG1-CD2 3.85Å
118F80.2Confident71.5Confident78 Ų7863.5 Ų63.534%0.34236%0.36SS..EExtended strand (participates in β ladder)trans-118.9125.1176.2-179.7-106.6000109.1P44 P120P44-F118 HydrophobicContact CB-CE2 3.83Å; P44-F118 HydrophobicContact CB-CZ 3.86Å; F118-P120 HydrophobicContact CE1-CB 3.81Å; F118-P120 HydrophobicContact CZ-CB 4.41Å
119I79.1Confident73.7Confident0 Ų058.9 Ų58.90%032%0.322CS..EExtended strand (participates in β ladder)trans-111112175.3-59.4178.9000105.6P44 V45 L72 I77 W99 S121 F122 L129P44-I119 CarbonylContact C-O 3.56Å; P44-I119 WeakPolarHBondContact CA-O 3.48Å; P44-I119 WeakPolarHBondContact CB-O 3.19Å; V45-I119 HydrophobicContact CB-CB 4.34Å; V45-I119 PolarHBondContact N-O 2.92Å; V45-I119 PolarHBondContact O-N 3.34Å; L72-I119 HydrophobicContact CD2-CD1 4.49Å; I77-I119 HydrophobicContact CD1-CD1 4.33Å; I77-I119 HydrophobicContact CD1-CG1 4.49Å; W99-I119 HydrophobicContact CE3-CG1 4.32Å; W99-I119 HydrophobicContact CE3-CG2 4.31Å; W99-I119 HydrophobicContact CH2-CG2 4.17Å; W99-I119 HydrophobicContact CZ3-CB 4.16Å; W99-I119 HydrophobicContact CZ3-CD1 4.09Å; W99-I119 HydrophobicContact CZ3-CG1 3.83Å; W99-I119 HydrophobicContact CZ3-CG2 3.54Å; I119-S121 VanDerWaalsContact C-N 3.34Å; I119-S121 PolarHBondContact O-N 2.89Å; I119-F122 HydrophobicContact CD1-CD2 4.41Å; I119-F122 HydrophobicContact CG2-CB 4.44Å; I119-F122 HydrophobicContact CG2-CD2 4.39Å; I119-L129 HydrophobicContact CD1-CD1 4.33Å; I119-L129 HydrophobicContact CD1-CD2 4.45Å
120P73.9Confident76.1Confident49 Ų4953.5 Ų53.532%0.31829%0.294SS..SBendtrans-73.1-24-173.322.8-29.3000114.1P44 G98 F118P44-P120 WeakPolarHBondContact CA-O 3.47Å; P44-P120 WeakPolarHBondContact CB-O 3.43Å; G98-P120 WeakPolarHBondContact O-CG 3.33Å; F118-P120 HydrophobicContact CE1-CB 3.81Å; F118-P120 HydrophobicContact CZ-CB 4.41Å
121S81Confident78Confident59 Ų5945.3 Ų45.341%0.41326%0.255SS..  trans-150.4123175.9-168.70000110.2G42 I119G42-S121 VanDerWaalsContact C-OG 3.32Å; G42-S121 WeakPolarHBondContact CA-OG 3.49Å; G42-S121 WeakPolarHBondContact O-CA 3.32Å; G42-S121 WeakPolarHBondContact O-CB 3.21Å; G42-S121 PolarHBondContact O-OG 3.03Å; I119-S121 VanDerWaalsContact C-N 3.34Å; I119-S121 PolarHBondContact O-N 2.89Å
122F83.4Confident79.2Confident3 Ų340.9 Ų40.91%0.01323%0.225CC..  trans-105.1106-179.1-169.2-91.5000110.8G42 S43 V45 L72 I119 D124 I147 A149G42-F122 WeakPolarHBondContact CA-O 3.29Å; G42-F122 PolarHBondContact N-O 3.43Å; S43-F122 PolarHBondContact O-N 2.83Å; V45-F122 HydrophobicContact CG2-CB 3.77Å; V45-F122 HydrophobicContact CG2-CD2 4.22Å; V45-F122 HydrophobicContact CG2-CG 4.06Å; L72-F122 HydrophobicContact CD1-CE2 3.77Å; L72-F122 HydrophobicContact CD1-CZ 4.37Å; L72-F122 HydrophobicContact CD2-CD2 4.34Å; L72-F122 HydrophobicContact CD2-CE2 3.93Å; I119-F122 HydrophobicContact CD1-CD2 4.41Å; I119-F122 HydrophobicContact CG2-CB 4.44Å; I119-F122 HydrophobicContact CG2-CD2 4.39Å; F122-D124 WeakPolarHBondContact CD1-O 3.49Å; F122-D124 HydrophobicContact CE1-CB 4.33Å; F122-D124 WeakPolarHBondContact CE1-O 3.12Å; F122-D124 HydrophobicContact CZ-CB 4.47Å; F122-I147 HydrophobicContact CD1-CG2 4.02Å; F122-I147 HydrophobicContact CD2-CD1 4.38Å; F122-I147 HydrophobicContact CD2-CG2 4.38Å; F122-I147 HydrophobicContact CE1-CB 4.16Å; F122-I147 HydrophobicContact CE1-CG2 3.58Å; F122-I147 HydrophobicContact CE2-CB 4.15Å; F122-I147 HydrophobicContact CE2-CD1 3.78Å; F122-I147 HydrophobicContact CE2-CG2 4.01Å; F122-I147 HydrophobicContact CG-CG2 4.38Å; F122-I147 HydrophobicContact CZ-CB 3.71Å; F122-I147 HydrophobicContact CZ-CD1 4.21Å; F122-I147 HydrophobicContact CZ-CG2 3.59Å; F122-A149 HydrophobicContact CD1-CB 3.69Å; F122-A149 HydrophobicContact CE1-CB 4.04Å
123T84.3Confident80Confident94 Ų9439.9 Ų39.958%0.57721%0.211SC*.  trans-90.6-25.5-170.951.80000114.8
124D83.2Confident80.1Confident56 Ų5639 Ų3930%0.29921%0.211SC..SBendtrans-77140.7-175.4-60-11.1000109.8N73 F122 K126N73-D124 PolarHBondContact ND2-OD2 2.84Å; F122-D124 WeakPolarHBondContact CD1-O 3.49Å; F122-D124 HydrophobicContact CE1-CB 4.33Å; F122-D124 WeakPolarHBondContact CE1-O 3.12Å; F122-D124 HydrophobicContact CZ-CB 4.47Å; D124-K126 PolarHBondContact O-N 3.1Å
125T84.1Confident79.5Confident66 Ų6639.1 Ų39.141%0.40521%0.209SC..SBendtrans-67.1-23.6176.454.30000112.7L41 A149 H182L41-T125 HydrophobicContact CD1-CG2 3.95Å; T125-A149 WeakPolarHBondContact CA-O 3.28Å; T125-A149 PolarHBondContact O-N 2.85Å; T125-A149 VanDerWaalsContact O-O 3.14Å; T125-H182 HydrophobicContact CG2-CB 3.81Å; T125-H182 VanDerWaalsContact CG2-CD2 3.41Å; T125-H182 WeakPolarHBondContact CG2-CD2 3.27Å
126K88.6Confident78.8Confident88 Ų8843.8 Ų43.838%0.38324%0.237SC..EExtended strand (participates in β ladder)trans-151.6137.2173.9170.4168.7166.4153.30110D124 Y128 E146 I147D124-K126 PolarHBondContact O-N 3.1Å; K126-Y128 VanDerWaalsContact CE-CZ 3.49Å; K126-Y128 WeakPolarHBondContact CE-OH 3.48Å; K126-Y128 PolarHBondContact NZ-OH 2.83Å; K126-E146 HydrophobicContact CD-CG 4.49Å; K126-E146 VanDerWaalsContact CE-CD 3.43Å; K126-E146 VanDerWaalsContact CE-OE1 3.27Å; K126-E146 WeakPolarHBondContact CE-OE1 3.08Å; K126-E146 HydrophobicContact CG-CG 4.41Å; K126-E146 IonicContact NZ-OE1 2.69Å; K126-E146 PolarHBondContact NZ-OE1 3.22Å; K126-E146 IonicContact NZ-OE2 3.17Å; K126-E146 PolarHBondContact NZ-OE2 2.85Å; K126-I147 WeakPolarHBondContact CA-O 3.18Å
127G85.9Confident77.8Confident0 Ų050.1 Ų50.10%026%0.261CS..EExtended strand (participates in β ladder)trans-150.6153.5172.100000112.8N73 I147N73-G127 VanDerWaalsContact OD1-CA 3.29Å; N73-G127 WeakPolarHBondContact OD1-CA 3.46Å; G127-I147 PolarHBondContact N-O 2.83Å; G127-I147 PolarHBondContact O-N 2.7Å
128Y87.5Confident76.9Confident99 Ų9955.4 Ų55.439%0.38830%0.295SS..EExtended strand (participates in β ladder)trans-102.8111.4175.2-70-76.7000109.4N73 K126 E146N73-Y128 PolarHBondContact N-O 3.48Å; N73-Y128 PolarHBondContact OD1-N 3.02Å; K126-Y128 VanDerWaalsContact CE-CZ 3.49Å; K126-Y128 WeakPolarHBondContact CE-OH 3.48Å; K126-Y128 PolarHBondContact NZ-OH 2.83Å; Y128-E146 HydrophobicContact CD1-CB 4.04Å; Y128-E146 HydrophobicContact CD1-CG 4.3Å; Y128-E146 HydrophobicContact CE1-CB 3.7Å; Y128-E146 HydrophobicContact CE1-CG 3.77Å; Y128-E146 WeakPolarHBondContact CE1-OE2 3.43Å; Y128-E146 PolarHBondContact OH-OE2 2.73Å
129L85.7Confident76.5Confident1 Ų153.2 Ų53.21%0.00529%0.289CS..EExtended strand (participates in β ladder)trans-89.1119.8173-177.163.3000108.4A47 W70 L72 I77 V117 I119 A144 V145 I147A47-L129 HydrophobicContact CB-CD2 3.48Å; A47-L129 VanDerWaalsContact CB-CD2 3.48Å; W70-L129 HydrophobicContact CE3-CD1 3.85Å; W70-L129 HydrophobicContact CE3-CD2 4.13Å; W70-L129 HydrophobicContact CE3-CG 3.71Å; W70-L129 HydrophobicContact CZ3-CD1 4.43Å; W70-L129 HydrophobicContact CZ3-CD2 3.93Å; W70-L129 HydrophobicContact CZ3-CG 3.79Å; L72-L129 HydrophobicContact CB-CD1 4.49Å; I77-L129 HydrophobicContact CD1-CD1 3.91Å; V117-L129 HydrophobicContact CG1-CD1 4.42Å; V117-L129 HydrophobicContact CG1-CD2 3.85Å; I119-L129 HydrophobicContact CD1-CD1 4.33Å; I119-L129 HydrophobicContact CD1-CD2 4.45Å; L129-A144 WeakPolarHBondContact O-CA 3.41Å; L129-V145 HydrophobicContact CB-CG1 3.94Å; L129-V145 PolarHBondContact N-O 2.95Å; L129-V145 PolarHBondContact O-N 2.95Å; L129-I147 HydrophobicContact CB-CD1 3.72Å; L129-I147 HydrophobicContact CD2-CD1 4.08Å
130T86.1Confident76.4Confident15 Ų1558.1 Ų58.19%0.09231%0.312CS..EExtended strand (participates in β ladder)trans-117.4133.6-174.757.80000110.6W70 H71 G143 A144W70-T130 WeakPolarHBondContact CA-O 3.43Å; H71-T130 WeakPolarHBondContact CB-OG1 3.04Å; H71-T130 PolarHBondContact N-O 2.78Å; H71-T130 PolarHBondContact O-N 3.2Å; H71-T130 PolarHBondContact O-OG1 2.75Å; T130-G143 WeakPolarHBondContact CA-O 3.06Å; T130-A144 HydrophobicContact CG2-CB 3.88Å
131C82Confident76.5Confident0 Ų061 Ų610%032%0.323CS..EExtended strand (participates in β ladder)trans-96.7129.2171.9175.50000108.3V32 C49 I68 W70 V142 G143V32-C131 HydrophobicContact CG2-CB 3.65Å; C49-C131 HydrophobicContact CB-CB 3.61Å; C49-C131 WeakPolarHBondContact CB-SG 3.36Å; C49-C131 WeakPolarHBondContact SG-CB 3.35Å; C49-C131 CovalentContact SG-SG 2.03Å; C49-C131 PolarHBondContact SG-SG 3.18Å; I68-C131 VanDerWaalsContact CG2-SG 3.52Å; W70-C131 HydrophobicContact CE3-CB 4.13Å; W70-C131 HydrophobicContact CH2-CB 4.3Å; W70-C131 HydrophobicContact CZ3-CB 4.01Å; C131-V142 HydrophobicContact CB-CG2 4.17Å; C131-V142 VanDerWaalsContact O-CG2 3.24Å; C131-V142 WeakPolarHBondContact O-CG2 3.5Å; C131-V142 PolarHBondContact O-N 2.91Å; C131-V142 VanDerWaalsContact SG-CG2 3.59Å; C131-G143 PolarHBondContact N-O 2.74Å; C131-G143 PolarHBondContact O-N 3.1Å
132C78.4Confident76.3Confident3 Ų359.3 Ų59.32%0.0231%0.31CS..EExtended strand (participates in β ladder)trans-130.6146-176.9-49.30000110.5I68 V69 C139 Q140I68-C132 WeakPolarHBondContact CA-O 3.4Å; V69-C132 PolarHBondContact N-O 2.87Å; V69-C132 PolarHBondContact O-N 2.82Å; C132-C139 HydrophobicContact CB-CB 4.32Å; C132-C139 WeakPolarHBondContact CB-SG 3.45Å; C132-Q140 CarbonylContact C-O 3.32Å; C132-Q140 WeakPolarHBondContact CA-O 3.34Å; C132-Q140 WeakPolarHBondContact CB-O 3.42Å
133V74.3Confident76.1Confident12 Ų1260 Ų607%0.07332%0.318CS..EExtended strand (participates in β ladder)trans-106.3122.7175.2176.50000109.3I51 I68 H135 C139 Q140 V142I51-V133 HydrophobicContact CD1-CG2 3.55Å; I68-V133 HydrophobicContact CG1-CG2 4.31Å; V133-H135 PolarHBondContact O-N 3.28Å; V133-C139 PolarHBondContact O-SG 2.99Å; V133-C139 VanDerWaalsContact O-SG 3.39Å; V133-Q140 PolarHBondContact N-O 2.88Å; V133-Q140 PolarHBondContact O-N 2.83Å; V133-Q140 VanDerWaalsContact O-N 3.13Å; V133-V142 HydrophobicContact CB-CG1 4.11Å; V133-V142 HydrophobicContact CG2-CB 4.44Å; V133-V142 HydrophobicContact CG2-CG1 3.67Å; V133-V142 HydrophobicContact CG2-CG2 3.95Å
134L66.6Low76.1Confident43 Ų4358.6 Ų58.623%0.22532%0.317CS..EExtended strand (participates in β ladder)trans-93.899.1-179.1-137.6157000108.3N66 H67 V69 F137 C139N66-L134 WeakPolarHBondContact CA-O 3.3Å; H67-L134 PolarHBondContact O-N 3.45Å; V69-L134 HydrophobicContact CG2-CB 4.35Å; V69-L134 HydrophobicContact CG2-CD1 3.92Å; L134-F137 HydrophobicContact CD2-CD2 4.27Å; L134-F137 HydrophobicContact CD2-CE2 4.09Å; L134-C139 HydrophobicContact CD1-CB 4.42Å; L134-C139 HydrophobicContact CG-CB 4.08Å
135H60.6Low76.3Confident90 Ų9057.2 Ų57.242%0.41731%0.31SS..SBendtrans-112.9-33.8-179.2-157.4-32.3000111.9N66 V133N66-H135 PolarHBondContact ND2-CD2 2.87Å; N66-H135 PolarHBondContact ND2-NE2 2.95Å; N66-H135 VanDerWaalsContact ND2-NE2 3.18Å; N66-H135 PolarHBondContact OD1-ND1 2.96Å; V133-H135 PolarHBondContact O-N 3.28Å
136T57.1Low76.5Confident109 Ų10956.6 Ų56.667%0.66930%0.302SS*.SBendtrans-151.1164.9165.245.20000107.1P138T136-P138 CarbonylContact O-C 3.59Å; T136-P138 VanDerWaalsContact O-O 3.06Å
137F53.3Low76.5Confident181 Ų18152.4 Ų52.479%0.79428%0.284SS*.SBendtrans-79.2138.2168-87.6-92.5000110.6L134L134-F137 HydrophobicContact CD2-CD2 4.27Å; L134-F137 HydrophobicContact CD2-CE2 4.09Å
138P59.8Low76.6Confident118 Ų11857.3 Ų57.377%0.76630%0.303SS*.SBendcis-78.8156.8-5.533.9-35.8000113.4T136T136-P138 CarbonylContact O-C 3.59Å; T136-P138 VanDerWaalsContact O-O 3.06Å
139C72.6Confident76.7Confident31 Ų3152.6 Ų52.621%0.20928%0.284CS..PPolyproline II helixtrans-64.3137.4-178-160.50000112.4C132 V133 L134C132-C139 HydrophobicContact CB-CB 4.32Å; C132-C139 WeakPolarHBondContact CB-SG 3.45Å; V133-C139 PolarHBondContact O-SG 2.99Å; V133-C139 VanDerWaalsContact O-SG 3.39Å; L134-C139 HydrophobicContact CD1-CB 4.42Å; L134-C139 HydrophobicContact CG-CB 4.08Å
140Q75.7Confident76.9Confident103 Ų10352.5 Ų52.548%0.48128%0.284SS..EExtended strand (participates in β ladder)trans-91.4121.7-177.8-176174.51.300111.2C132 V133 V142C132-Q140 CarbonylContact C-O 3.32Å; C132-Q140 WeakPolarHBondContact CA-O 3.34Å; C132-Q140 WeakPolarHBondContact CB-O 3.42Å; V133-Q140 PolarHBondContact N-O 2.88Å; V133-Q140 PolarHBondContact O-N 2.83Å; V133-Q140 VanDerWaalsContact O-N 3.13Å; Q140-V142 PolarHBondContact O-N 3.11Å
141I77Confident77.1Confident110 Ų11055.1 Ų55.156%0.56429%0.294SS*.EExtended strand (participates in β ladder)trans-67125.5173.2-53.9172.5000109
142V77.1Confident77.5Confident23 Ų2358.3 Ų58.314%0.13932%0.315CS..EExtended strand (participates in β ladder)trans-110.9-18.1180-65.50000113.3V30 I51 L57 C131 V133 Q140V30-V142 HydrophobicContact CB-CB 4.49Å; V30-V142 WeakPolarHBondContact CB-O 3.44Å; V30-V142 HydrophobicContact CG1-CB 4.04Å; V30-V142 HydrophobicContact CG1-CG2 3.99Å; V30-V142 VanDerWaalsContact CG1-O 3.27Å; V30-V142 WeakPolarHBondContact CG1-O 3.5Å; V30-V142 HydrophobicContact CG2-CB 3.89Å; I51-V142 HydrophobicContact CD1-CG2 4.17Å; L57-V142 HydrophobicContact CD1-CG1 3.73Å; C131-V142 HydrophobicContact CB-CG2 4.17Å; C131-V142 VanDerWaalsContact O-CG2 3.24Å; C131-V142 WeakPolarHBondContact O-CG2 3.5Å; C131-V142 PolarHBondContact O-N 2.91Å; C131-V142 VanDerWaalsContact SG-CG2 3.59Å; V133-V142 HydrophobicContact CB-CG1 4.11Å; V133-V142 HydrophobicContact CG2-CB 4.44Å; V133-V142 HydrophobicContact CG2-CG1 3.67Å; V133-V142 HydrophobicContact CG2-CG2 3.95Å; Q140-V142 PolarHBondContact O-N 3.11Å
143G79.1Confident78.2Confident17 Ų1758.8 Ų58.818%0.17532%0.318CS..EExtended strand (participates in β ladder)trans-170.7159.8172.200000112.9T130 C131T130-G143 WeakPolarHBondContact CA-O 3.06Å; C131-G143 PolarHBondContact N-O 2.74Å; C131-G143 PolarHBondContact O-N 3.1Å
144A84.1Confident79Confident66 Ų6660.7 Ų60.755%0.54533%0.33SS..EExtended strand (participates in β ladder)trans-141.5151.3-177.300000111.4L129 T130L129-A144 WeakPolarHBondContact O-CA 3.41Å; T130-A144 HydrophobicContact CG2-CB 3.88Å
145V86.8Confident80.2Confident26 Ų2660.9 Ų60.916%0.15834%0.337CS..EExtended strand (participates in β ladder)trans-140.6136.8173.262.10000110.2V32 T34 L129V32-V145 HydrophobicContact CG1-CB 4.06Å; V32-V145 HydrophobicContact CG1-CG1 3.71Å; T34-V145 HydrophobicContact CG2-CB 4.38Å; T34-V145 HydrophobicContact CG2-CG1 3.63Å; T34-V145 HydrophobicContact CG2-CG2 3.86Å; L129-V145 HydrophobicContact CB-CG1 3.94Å; L129-V145 PolarHBondContact N-O 2.95Å; L129-V145 PolarHBondContact O-N 2.95Å
146E88.4Confident81.8Confident53 Ų5356.7 Ų56.725%0.24832%0.318CS..EExtended strand (participates in β ladder)trans-86.2122.3174.7-171.7172.1142.700109.5K126 Y128 R148K126-E146 HydrophobicContact CD-CG 4.49Å; K126-E146 VanDerWaalsContact CE-CD 3.43Å; K126-E146 VanDerWaalsContact CE-OE1 3.27Å; K126-E146 WeakPolarHBondContact CE-OE1 3.08Å; K126-E146 HydrophobicContact CG-CG 4.41Å; K126-E146 IonicContact NZ-OE1 2.69Å; K126-E146 PolarHBondContact NZ-OE1 3.22Å; K126-E146 IonicContact NZ-OE2 3.17Å; K126-E146 PolarHBondContact NZ-OE2 2.85Å; Y128-E146 HydrophobicContact CD1-CB 4.04Å; Y128-E146 HydrophobicContact CD1-CG 4.3Å; Y128-E146 HydrophobicContact CE1-CB 3.7Å; Y128-E146 HydrophobicContact CE1-CG 3.77Å; Y128-E146 WeakPolarHBondContact CE1-OE2 3.43Å; Y128-E146 PolarHBondContact OH-OE2 2.73Å; E146-R148 HydrophobicContact CG-CG 4.47Å; E146-R148 IonicContact OE1-CZ 2.84Å; E146-R148 IonicContact OE1-NE 2.78Å; E146-R148 PolarHBondContact OE1-NE 2.96Å; E146-R148 IonicContact OE1-NH2 3.47Å; E146-R148 PolarHBondContact OE1-NH2 3.38Å
147I88Confident83.5Confident0 Ų057.6 Ų57.60%032%0.315CS..EExtended strand (participates in β ladder)trans-102.1131.6170.3-57.6159.6000107.2T34 V39 V45 F122 K126 G127 L129T34-I147 HydrophobicContact CG2-CG1 4.39Å; V39-I147 HydrophobicContact CG2-CG2 4.26Å; V45-I147 HydrophobicContact CG1-CD1 3.91Å; V45-I147 HydrophobicContact CG1-CG1 4.39Å; V45-I147 HydrophobicContact CG2-CG2 4.28Å; F122-I147 HydrophobicContact CD1-CG2 4.02Å; F122-I147 HydrophobicContact CD2-CD1 4.38Å; F122-I147 HydrophobicContact CD2-CG2 4.38Å; F122-I147 HydrophobicContact CE1-CB 4.16Å; F122-I147 HydrophobicContact CE1-CG2 3.58Å; F122-I147 HydrophobicContact CE2-CB 4.15Å; F122-I147 HydrophobicContact CE2-CD1 3.78Å; F122-I147 HydrophobicContact CE2-CG2 4.01Å; F122-I147 HydrophobicContact CG-CG2 4.38Å; F122-I147 HydrophobicContact CZ-CB 3.71Å; F122-I147 HydrophobicContact CZ-CD1 4.21Å; F122-I147 HydrophobicContact CZ-CG2 3.59Å; K126-I147 WeakPolarHBondContact CA-O 3.18Å; G127-I147 PolarHBondContact N-O 2.83Å; G127-I147 PolarHBondContact O-N 2.7Å; L129-I147 HydrophobicContact CB-CD1 3.72Å; L129-I147 HydrophobicContact CD2-CD1 4.08Å
148R89.2Confident85.4Confident103 Ų10354.2 Ų54.239%0.38931%0.305SS..EExtended strand (participates in β ladder)trans-113.8142.5168.3-62.4-174.3-177.2178.54.1110.2P37 V38 V39 E146 L183P37-R148 PolarHBondContact O-N 3.26Å; V38-R148 VanDerWaalsContact CA-O 3.3Å; V38-R148 WeakPolarHBondContact CA-O 3.18Å; V38-R148 HydrophobicContact CG1-CB 4.39Å; V38-R148 HydrophobicContact CG2-CB 4.43Å; V39-R148 PolarHBondContact N-O 2.78Å; E146-R148 HydrophobicContact CG-CG 4.47Å; E146-R148 IonicContact OE1-CZ 2.84Å; E146-R148 IonicContact OE1-NE 2.78Å; E146-R148 PolarHBondContact OE1-NE 2.96Å; E146-R148 IonicContact OE1-NH2 3.47Å; E146-R148 PolarHBondContact OE1-NH2 3.38Å; R148-L183 HydrophobicContact CB-CD2 4Å
149A88.7Confident87Confident0 Ų049.4 Ų49.40%027%0.273CS..EExtended strand (participates in β ladder)trans-137.1149.3175.600000112.3V39 L41 F122 T125V39-A149 HydrophobicContact CG2-CB 3.89Å; V39-A149 VanDerWaalsContact O-CA 3.28Å; V39-A149 WeakPolarHBondContact O-CA 3.35Å; L41-A149 HydrophobicContact CB-CB 4.36Å; L41-A149 HydrophobicContact CG-CB 4.45Å; F122-A149 HydrophobicContact CD1-CB 3.69Å; F122-A149 HydrophobicContact CE1-CB 4.04Å; T125-A149 WeakPolarHBondContact CA-O 3.28Å; T125-A149 PolarHBondContact O-N 2.85Å; T125-A149 VanDerWaalsContact O-O 3.14Å
150G90.1Very high88.1Confident0 Ų049.9 Ų49.90%028%0.277CS..EExtended strand (participates in β ladder)trans179.7-152.5-175.800000111.3V39 A40 L41 T181 L234V39-G150 PolarHBondContact O-N 3.38Å; A40-G150 CarbonylContact C-O 3.55Å; A40-G150 WeakPolarHBondContact CA-O 3.44Å; L41-G150 PolarHBondContact N-O 3.37Å; G150-T181 CarbonylContact C-O 3.47Å; G150-T181 WeakPolarHBondContact CA-O 3.47Å; G150-L234 WeakPolarHBondContact O-CD1 3.31Å
151F89.8Confident88.9Confident69 Ų6945.9 Ų45.930%0.30326%0.259SS..  trans-119.1150.8-173.8-56.2-70.5000111.9L41 T181 N232L41-F151 HydrophobicContact CB-CE1 3.99Å; L41-F151 HydrophobicContact CB-CZ 4.01Å; L41-F151 HydrophobicContact CD1-CE2 4.37Å; L41-F151 HydrophobicContact CD1-CZ 4.23Å; L41-F151 HydrophobicContact CD2-CZ 4.46Å; L41-F151 HydrophobicContact CG-CZ 4.47Å; F151-T181 PolarHBondContact N-O 3.38Å; F151-T181 WeakPolarHBondContact O-CB 3.22Å; F151-N232 PolarHBondContact O-ND2 2.88Å
152P90.6Very high89.8Confident68 Ų6844.1 Ų44.144%0.44225%0.251SS..PPolyproline II helixtrans-60.8153.6164.829.2-35.3000109.8T154 L234P152-T154 PolarHBondContact O-N 3.08Å; P152-L234 HydrophobicContact CB-CB 4.27Å
153P92.4Very high90.6Very high12 Ų1243 Ų438%0.07824%0.244CC..PPolyproline II helixtrans-69.5134.6-175.729.8-33.3000110.8T181 T185 A230 A237P153-T181 HydrophobicContact CB-CG2 4.39Å; P153-T185 HydrophobicContact CB-CG2 4.11Å; P153-A230 HydrophobicContact CB-CB 3.82Å; P153-A230 HydrophobicContact CG-CB 4.36Å; P153-A237 HydrophobicContact CG-CB 4.38Å; P153-A237 VanDerWaalsContact O-CB 3.22Å; P153-A237 WeakPolarHBondContact O-CB 3.34Å
154T91.8Very high91.2Very high53 Ų5345 Ų4533%0.32525%0.251SS..PPolyproline II helixtrans-68.9151.3165.9440000110.7P152 P156 P177 Q179P152-T154 PolarHBondContact O-N 3.08Å; T154-P156 WeakPolarHBondContact O-CD 3.41Å; T154-P177 PolarHBondContact OG1-O 3.47Å; T154-Q179 PolarHBondContact OG1-N 2.87Å
155A92.5Very high91.5Very high46 Ų4641.8 Ų41.838%0.3823%0.225SC..PPolyproline II helixtrans-57.7125170.100000109.9Q157 A237 T238A155-Q157 WeakPolarHBondContact O-CG 3.37Å; A155-A237 HydrophobicContact CB-CB 4.41Å; A155-T238 WeakPolarHBondContact CB-O 3.46Å
156P93.4Very high91.4Very high3 Ų343 Ų432%0.01923%0.232CC..PPolyproline II helixtrans-59.8138.2177.8-23.833.6000111.5T154 W175 Y187 V228 A230 S239T154-P156 WeakPolarHBondContact O-CD 3.41Å; P156-W175 HydrophobicContact CB-CB 4.48Å; P156-W175 HydrophobicContact CB-CG 4.29Å; P156-Y187 HydrophobicContact CG-CD1 4.39Å; P156-Y187 HydrophobicContact CG-CE1 4.18Å; P156-V228 HydrophobicContact CB-CB 4.32Å; P156-V228 HydrophobicContact CB-CG1 4.36Å; P156-V228 HydrophobicContact CG-CB 4.21Å; P156-V228 HydrophobicContact CG-CG1 3.96Å; P156-A230 HydrophobicContact CG-CB 4.12Å; P156-S239 WeakPolarHBondContact O-CB 3.43Å
157Q92.3Very high91.1Very high128 Ų12846.1 Ų46.160%0.59825%0.245SC*.EExtended strand (participates in β ladder)trans-113.9170.2-173.3-56.3-169.411.600111.2A155 L159 D176A155-Q157 WeakPolarHBondContact O-CG 3.37Å; Q157-L159 PolarHBondContact O-N 3.48Å; Q157-D176 PolarHBondContact N-O 2.92Å; Q157-D176 PolarHBondContact O-N 3.29Å
158N93.3Very high91Very high110 Ų11051.2 Ų51.259%0.58828%0.278SS*.EExtended strand (participates in β ladder)trans54.730.7171.6-159.616000114.2S160 D176N158-S160 PolarHBondContact O-N 2.88Å; N158-S160 PolarHBondContact O-OG 3.09Å; N158-S160 VanDerWaalsContact O-OG 3.08Å; N158-D176 HydrophobicContact CB-CB 4.32Å; N158-D176 WeakPolarHBondContact CB-OD2 3.47Å; N158-D176 PolarHBondContact ND2-OD2 3.35Å
159L94.3Very high91Very high17 Ų1747.5 Ų47.59%0.08927%0.265CS..EExtended strand (participates in β ladder)trans-59.9114.2177.8177.159.1000108.8Q157 Q174 W175 I226 V228 L242Q157-L159 PolarHBondContact O-N 3.48Å; L159-Q174 WeakPolarHBondContact CA-O 3.49Å; L159-W175 HydrophobicContact CB-CB 4.42Å; L159-W175 HydrophobicContact CD1-CB 4.21Å; L159-W175 HydrophobicContact CD1-CE3 4.05Å; L159-I226 HydrophobicContact CD2-CG2 4.42Å; L159-I226 WeakPolarHBondContact CD2-O 3.32Å; L159-V228 HydrophobicContact CD1-CG2 3.91Å; L159-V228 HydrophobicContact CD2-CG2 4.26Å; L159-L242 HydrophobicContact CD2-CB 4.04Å; L159-L242 HydrophobicContact CG-CB 4.23Å; L159-L242 HydrophobicContact CG-CD2 4.28Å
160S94.5Very high91.2Very high41 Ų4148.5 Ų48.529%0.28727%0.271SS..EExtended strand (participates in β ladder)trans-138134.3-174.144.90000109.5N158 C173 Q174N158-S160 PolarHBondContact O-N 2.88Å; N158-S160 PolarHBondContact O-OG 3.09Å; N158-S160 VanDerWaalsContact O-OG 3.08Å; S160-C173 CarbonylContact O-C 3.57Å; S160-C173 WeakPolarHBondContact O-CA 3.39Å; S160-Q174 PolarHBondContact N-O 2.99Å; S160-Q174 PolarHBondContact O-N 3.09Å; S160-Q174 WeakPolarHBondContact OG-CG 3.37Å
161C94.4Very high91.5Very high18 Ų1848.5 Ų48.512%0.12227%0.271CS..EExtended strand (participates in β ladder)trans-125.1140.1-178.5-58.40000111L171 S172 C173 L242 L244C161-L171 HydrophobicContact CB-CD1 3.73Å; C161-L171 HydrophobicContact CB-CG 4.27Å; C161-S172 WeakPolarHBondContact CA-O 3.5Å; C161-C173 HydrophobicContact CB-CB 4.11Å; C161-C173 WeakPolarHBondContact CB-SG 3.2Å; C161-C173 WeakPolarHBondContact SG-CB 3.46Å; C161-C173 CovalentContact SG-SG 2.04Å; C161-C173 PolarHBondContact SG-SG 2.88Å; C161-L242 HydrophobicContact CB-CD2 4.27Å; C161-L244 HydrophobicContact CB-CD2 4.12Å
162L94.6Very high91.7Very high74 Ų7446.5 Ų46.539%0.38727%0.266SS..EExtended strand (participates in β ladder)trans-128.2122.4179-168.680.6000109.5S172 S249 K251 P339L162-S172 PolarHBondContact N-O 2.73Å; L162-S172 PolarHBondContact O-N 3.3Å; L162-S249 WeakPolarHBondContact CD1-O 3.2Å; L162-K251 HydrophobicContact CD1-CB 4.24Å; L162-K251 HydrophobicContact CD2-CB 4.21Å; L162-K251 HydrophobicContact CG-CB 4.34Å; L162-P339 HydrophobicContact CD1-CG 3.96Å
163T94.3Very high91.9Very high0 Ų043.3 Ų43.30%025%0.245CC..EExtended strand (participates in β ladder)trans-80.6126.5175.1-55.10000110.1L165 L171 F218 L220 P246 S249 A250 K251T163-L165 HydrophobicContact CG2-CD2 3.91Å; T163-L171 WeakPolarHBondContact OG1-CD1 3.48Å; T163-F218 HydrophobicContact CG2-CE2 4.19Å; T163-L220 HydrophobicContact CG2-CD2 3.97Å; T163-P246 WeakPolarHBondContact CB-O 3.22Å; T163-P246 WeakPolarHBondContact OG1-CB 3.4Å; T163-P246 PolarHBondContact OG1-O 3.14Å; T163-S249 PolarHBondContact N-O 2.64Å; T163-S249 VanDerWaalsContact N-O 3.1Å; T163-S249 PolarHBondContact OG1-OG 2.9Å; T163-A250 HydrophobicContact CG2-CB 4.38Å; T163-A250 WeakPolarHBondContact O-CA 3.26Å; T163-K251 PolarHBondContact O-N 3.14Å
164N91.9Very high92Very high57 Ų5747.5 Ų47.531%0.30526%0.263SS..EExtended strand (participates in β ladder)trans-98122.2168.3-172.2-15000109.4T166 E169 T170N164-T166 WeakPolarHBondContact OD1-CB 3.39Å; N164-T166 PolarHBondContact OD1-N 2.89Å; N164-T166 PolarHBondContact OD1-OG1 2.84Å; N164-E169 WeakPolarHBondContact O-CA 3.43Å; N164-T170 PolarHBondContact N-O 2.91Å; N164-T170 PolarHBondContact O-N 3.29Å
165L89.7Confident92.2Very high0 Ų045.3 Ų45.30%025%0.249CC..  trans-94.80.1179.9-60.4177.4000113.7T163 L220 M247 A250 F252 Q280T163-L165 HydrophobicContact CG2-CD2 3.91Å; L165-L220 HydrophobicContact CD2-CD2 3.98Å; L165-M247 HydrophobicContact CD1-CE 4.24Å; L165-M247 HydrophobicContact CD1-SD 4.16Å; L165-M247 HydrophobicContact CD2-CE 4.14Å; L165-A250 HydrophobicContact CD1-CB 3.8Å; L165-A250 HydrophobicContact CD2-CB 4.33Å; L165-A250 HydrophobicContact CG-CB 3.96Å; L165-F252 HydrophobicContact CD1-CD1 4.24Å; L165-F252 HydrophobicContact CD1-CD2 4.37Å; L165-F252 HydrophobicContact CD1-CE1 3.83Å; L165-F252 HydrophobicContact CD1-CE2 3.94Å; L165-F252 HydrophobicContact CD1-CG 4.49Å; L165-F252 HydrophobicContact CD1-CZ 3.65Å; L165-Q280 HydrophobicContact CB-CG 3.88Å
166T86.3Confident92.2Very high51 Ų5147.1 Ų47.131%0.31325%0.252SS..SBendtrans-68.2137164.3-42.20000108.8N164 P168 E169 D253N164-T166 WeakPolarHBondContact OD1-CB 3.39Å; N164-T166 PolarHBondContact OD1-N 2.89Å; N164-T166 PolarHBondContact OD1-OG1 2.84Å; T166-P168 CarbonylContact O-C 3.49Å; T166-P168 VanDerWaalsContact O-O 3.08Å; T166-E169 PolarHBondContact O-N 3.38Å; T166-D253 PolarHBondContact OG1-OD1 2.95Å; T166-D253 VanDerWaalsContact OG1-OD1 3.13Å
167K82Confident92Very high119 Ų11948.7 Ų48.752%0.51726%0.263SS..SBendtrans-77.9134.9-174.7-67.9-177.4178.9-174.70111.9Q279K167-Q279 HydrophobicContact CD-CB 4.36Å; K167-Q279 HydrophobicContact CG-CB 4.27Å
168P85.9Confident91.7Very high106 Ų10644.6 Ų44.669%0.68826%0.255SS*.SBendcis-73132.1-2.230.5-34.8000112.6T166 T170T166-P168 CarbonylContact O-C 3.49Å; T166-P168 VanDerWaalsContact O-O 3.08Å; P168-T170 PolarHBondContact O-N 2.9Å
169E88.6Confident91.3Very high25 Ų2545.3 Ų45.312%0.11726%0.255CS..PPolyproline II helixtrans-55.2129.1178-70.2157.3-148.900110.2N164 T166 R215N164-E169 WeakPolarHBondContact O-CA 3.43Å; T166-E169 PolarHBondContact O-N 3.38Å; E169-R215 HydrophobicContact CB-CB 4.28Å; E169-R215 HydrophobicContact CB-CG 4.05Å; E169-R215 WeakPolarHBondContact O-CB 3.41Å; E169-R215 PolarHBondContact O-N 2.98Å; E169-R215 VanDerWaalsContact OE2-CD 3.31Å; E169-R215 WeakPolarHBondContact OE2-CD 3.36Å; E169-R215 IonicContact OE2-CZ 3.39Å; E169-R215 IonicContact OE2-NE 2.74Å; E169-R215 PolarHBondContact OE2-NE 2.91Å
170T93.6Very high90.8Very high22 Ų2249.5 Ų49.514%0.13528%0.277CS..EExtended strand (participates in β ladder)trans-142.6133.7-174.439.40000112.2N164 P168 I213N164-T170 PolarHBondContact N-O 2.91Å; N164-T170 PolarHBondContact O-N 3.29Å; P168-T170 PolarHBondContact O-N 2.9Å; T170-I213 WeakPolarHBondContact CA-O 3.41Å
171L94.4Very high90.4Very high0 Ų048 Ų480%027%0.266CS..EExtended strand (participates in β ladder)trans-91.6108.1173178.660.3000108.3C161 T163 I213 F218 I224 I226 L244 P246C161-L171 HydrophobicContact CB-CD1 3.73Å; C161-L171 HydrophobicContact CB-CG 4.27Å; T163-L171 WeakPolarHBondContact OG1-CD1 3.48Å; L171-I213 HydrophobicContact CB-CB 4.21Å; L171-I213 HydrophobicContact CB-CD1 4.25Å; L171-I213 HydrophobicContact CD2-CD1 3.85Å; L171-I213 HydrophobicContact CG-CD1 4.01Å; L171-I213 PolarHBondContact N-O 2.98Å; L171-I213 VanDerWaalsContact N-O 3.15Å; L171-I213 PolarHBondContact O-N 2.79Å; L171-F218 HydrophobicContact CB-CD1 3.88Å; L171-F218 HydrophobicContact CB-CD2 4.43Å; L171-F218 HydrophobicContact CB-CE1 3.78Å; L171-F218 HydrophobicContact CB-CE2 4.34Å; L171-F218 HydrophobicContact CB-CG 4.21Å; L171-F218 HydrophobicContact CB-CZ 4.03Å; L171-F218 HydrophobicContact CD2-CB 4.37Å; L171-F218 HydrophobicContact CD2-CG 4.35Å; L171-I224 HydrophobicContact CD2-CG2 4.35Å; L171-I226 HydrophobicContact CD2-CD1 3.67Å; L171-L244 HydrophobicContact CD1-CD1 4.32Å; L171-P246 HydrophobicContact CD2-CG 4.3Å
172S94.6Very high90.1Very high27 Ų2751.2 Ų51.219%0.18928%0.279CS..EExtended strand (participates in β ladder)trans-95.1106.3-175.5-61.30000109.8C161 L162 Y211C161-S172 WeakPolarHBondContact CA-O 3.5Å; L162-S172 PolarHBondContact N-O 2.73Å; L162-S172 PolarHBondContact O-N 3.3Å; S172-Y211 CarbonylContact C-O 3.51Å; S172-Y211 WeakPolarHBondContact CA-O 3.22Å
173C95.1Very high89.7Confident0 Ų048.4 Ų48.40%026%0.264CS..EExtended strand (participates in β ladder)trans-104.2138.4-179.6-65.60000111.4S160 C161 R210 Y211S160-C173 CarbonylContact O-C 3.57Å; S160-C173 WeakPolarHBondContact O-CA 3.39Å; C161-C173 HydrophobicContact CB-CB 4.11Å; C161-C173 WeakPolarHBondContact CB-SG 3.2Å; C161-C173 WeakPolarHBondContact SG-CB 3.46Å; C161-C173 CovalentContact SG-SG 2.04Å; C161-C173 PolarHBondContact SG-SG 2.88Å; C173-R210 CarbonylContact O-C 3.57Å; C173-R210 VanDerWaalsContact O-CA 3.28Å; C173-R210 WeakPolarHBondContact O-CA 3.33Å; C173-R210 WeakPolarHBondContact O-CG 3.1Å; C173-Y211 PolarHBondContact N-O 3.36Å; C173-Y211 PolarHBondContact O-N 3.41Å
174Q95.2Very high89.4Confident100 Ų10052.6 Ų52.647%0.46729%0.292SS..EExtended strand (participates in β ladder)trans-135.9155.2176.865.1-177.629.700110.5L159 S160 H209 R210L159-Q174 WeakPolarHBondContact CA-O 3.49Å; S160-Q174 PolarHBondContact N-O 2.99Å; S160-Q174 PolarHBondContact O-N 3.09Å; S160-Q174 WeakPolarHBondContact OG-CG 3.37Å; Q174-H209 WeakPolarHBondContact CA-O 3.38Å; Q174-R210 HydrophobicContact CB-CB 4.17Å; Q174-R210 HydrophobicContact CB-CG 4.03Å
175W94.8Very high89.3Confident8 Ų850.4 Ų50.43%0.0328%0.28CS..EExtended strand (participates in β ladder)trans-151.5156.2178.457.489000110.6P156 L159 Y187 L189 L204 H209 V228P156-W175 HydrophobicContact CB-CB 4.48Å; P156-W175 HydrophobicContact CB-CG 4.29Å; L159-W175 HydrophobicContact CB-CB 4.42Å; L159-W175 HydrophobicContact CD1-CB 4.21Å; L159-W175 HydrophobicContact CD1-CE3 4.05Å; W175-Y187 HydrophobicContact CZ2-CD1 4.42Å; W175-Y187 HydrophobicContact CZ2-CG 4.34Å; W175-Y187 AromaticContact NE1-CD1 3.52Å; W175-Y187 AromaticContact NE1-CE1 3.86Å; W175-L189 HydrophobicContact CZ3-CD1 4.19Å; W175-L204 HydrophobicContact CH2-CD1 3.76Å; W175-L204 HydrophobicContact CH2-CD2 3.55Å; W175-L204 HydrophobicContact CH2-CG 4.32Å; W175-L204 HydrophobicContact CZ2-CD1 4.21Å; W175-L204 HydrophobicContact CZ2-CD2 3.89Å; W175-H209 PolarHBondContact N-O 2.98Å; W175-V228 HydrophobicContact CD2-CB 4.47Å; W175-V228 HydrophobicContact CD2-CG1 4.19Å; W175-V228 HydrophobicContact CD2-CG2 3.66Å; W175-V228 HydrophobicContact CE3-CG2 3.59Å; W175-V228 HydrophobicContact CG-CG2 4.16Å; W175-V228 HydrophobicContact CH2-CG2 4.31Å; W175-V228 HydrophobicContact CZ2-CG1 3.98Å; W175-V228 HydrophobicContact CZ2-CG2 4.39Å; W175-V228 HydrophobicContact CZ3-CG2 3.93Å
176D92.9Very high89.4Confident84 Ų8454.8 Ų54.845%0.44930%0.301SS..EExtended strand (participates in β ladder)trans-85.6127.2171.7-67-42.1000109.2Q157 N158 G178Q157-D176 PolarHBondContact N-O 2.92Å; Q157-D176 PolarHBondContact O-N 3.29Å; N158-D176 HydrophobicContact CB-CB 4.32Å; N158-D176 WeakPolarHBondContact CB-OD2 3.47Å; N158-D176 PolarHBondContact ND2-OD2 3.35Å; D176-G178 PolarHBondContact O-N 3.26Å
177P89.4Confident89.8Confident36 Ų3653 Ų5323%0.23429%0.289CS..  trans-70.8-15.8-176.128.8-36.2000113.8T154 Y187T154-P177 PolarHBondContact OG1-O 3.47Å; P177-Y187 HydrophobicContact CB-CE1 4.45Å; P177-Y187 VanDerWaalsContact CB-OH 3.32Å; P177-Y187 WeakPolarHBondContact CB-OH 3.36Å
178G86.1Confident90.3Very high42 Ų4248 Ų4843%0.43327%0.268SS..  trans88.6-140.1-174.100000112.3D176D176-G178 PolarHBondContact O-N 3.26Å
179Q84.7Confident90.8Very high125 Ų12543 Ų4358%0.58424%0.235SC*.SBendtrans-77.3145.1178.9-175177.5-17.200110.6T154 T181T154-Q179 PolarHBondContact OG1-N 2.87Å; Q179-T181 PolarHBondContact O-N 2.92Å
180D84Confident91Very high104 Ų10445 Ų4556%0.55624%0.242SC*.  trans-61.5128.1169.9-176.615.8000110.1H182D180-H182 VanDerWaalsContact CG-ND1 3.32Å; D180-H182 PolarHBondContact OD1-N 2.88Å; D180-H182 IonicContact OD1-ND1 3.17Å; D180-H182 IonicContact OD2-CE1 2.95Å; D180-H182 PolarHBondContact OD2-CE1 3.28Å; D180-H182 VanDerWaalsContact OD2-CE1 3.3Å; D180-H182 IonicContact OD2-CG 2.75Å; D180-H182 IonicContact OD2-ND1 2.78Å; D180-H182 PolarHBondContact OD2-ND1 3.46Å
181T86.4Confident90.9Very high9 Ų944 Ų446%0.05524%0.236CC..  trans-85.7-1317957.50000112.6G150 F151 P153 Q179 L183 T185G150-T181 CarbonylContact C-O 3.47Å; G150-T181 WeakPolarHBondContact CA-O 3.47Å; F151-T181 PolarHBondContact N-O 3.38Å; F151-T181 WeakPolarHBondContact O-CB 3.22Å; P153-T181 HydrophobicContact CB-CG2 4.39Å; Q179-T181 PolarHBondContact O-N 2.92Å; T181-L183 PolarHBondContact O-N 3.32Å; T181-L183 VanDerWaalsContact O-N 3.08Å; T181-L183 PolarHBondContact OG1-N 2.82Å; T181-L183 PolarHBondContact OG1-O 2.88Å; T181-L183 VanDerWaalsContact OG1-O 3.09Å; T181-T185 PolarHBondContact OG1-OG1 2.87Å
182H87.6Confident90.8Very high87 Ų8749.1 Ų49.140%0.40326%0.26SS..SBendtrans5712.5-169.1-49-42000114.3T125 D180T125-H182 HydrophobicContact CG2-CB 3.81Å; T125-H182 VanDerWaalsContact CG2-CD2 3.41Å; T125-H182 WeakPolarHBondContact CG2-CD2 3.27Å; D180-H182 VanDerWaalsContact CG-ND1 3.32Å; D180-H182 PolarHBondContact OD1-N 2.88Å; D180-H182 IonicContact OD1-ND1 3.17Å; D180-H182 IonicContact OD2-CE1 2.95Å; D180-H182 PolarHBondContact OD2-CE1 3.28Å; D180-H182 VanDerWaalsContact OD2-CE1 3.3Å; D180-H182 IonicContact OD2-CG 2.75Å; D180-H182 IonicContact OD2-ND1 2.78Å; D180-H182 PolarHBondContact OD2-ND1 3.46Å
183L87.1Confident90.6Very high14 Ų1448.1 Ų48.17%0.07325%0.253CS..SBendtrans-126.8148.4-177.8-67.4176.3000110.6V38 R148 T181 T185 L234V38-L183 HydrophobicContact CG1-CD1 3.9Å; V38-L183 HydrophobicContact CG1-CD2 3.72Å; V38-L183 HydrophobicContact CG1-CG 4.5Å; R148-L183 HydrophobicContact CB-CD2 4Å; T181-L183 PolarHBondContact O-N 3.32Å; T181-L183 VanDerWaalsContact O-N 3.08Å; T181-L183 PolarHBondContact OG1-N 2.82Å; T181-L183 PolarHBondContact OG1-O 2.88Å; T181-L183 VanDerWaalsContact OG1-O 3.09Å; L183-T185 PolarHBondContact O-N 2.86Å; L183-T185 PolarHBondContact O-OG1 2.87Å; L183-L234 HydrophobicContact CD1-CD1 3.47Å; L183-L234 VanDerWaalsContact CD1-CD1 3.47Å; L183-L234 HydrophobicContact CD1-CG 3.7Å
184P87.9Confident89.9Confident89 Ų8955.1 Ų55.158%0.57828%0.279SS*.  trans-62.3104.7176.526.4-33.9000109.8
185T89.9Confident89.1Confident10 Ų1056.2 Ų56.26%0.06129%0.288CS..  trans-104.6122.2-178.1-60.60000109.2P153 T181 L183 Y187 A230 V231 N232P153-T185 HydrophobicContact CB-CG2 4.11Å; T181-T185 PolarHBondContact OG1-OG1 2.87Å; L183-T185 PolarHBondContact O-N 2.86Å; L183-T185 PolarHBondContact O-OG1 2.87Å; T185-Y187 HydrophobicContact CG2-CD2 4.49Å; T185-Y187 HydrophobicContact CG2-CE2 3.84Å; T185-A230 HydrophobicContact CG2-CB 4.05Å; T185-V231 CarbonylContact C-O 3.57Å; T185-V231 WeakPolarHBondContact CA-O 3.32Å; T185-N232 HydrophobicContact CG2-CB 4.38Å; T185-N232 WeakPolarHBondContact OG1-CB 3.38Å; T185-N232 PolarHBondContact OG1-ND2 3.13Å
186Q91.8Very high88.4Confident92 Ų9259.2 Ų59.243%0.4330%0.304SS..EExtended strand (participates in β ladder)trans-91.3134.2176.8-178.1166.56000109.5A230 V231Q186-A230 CarbonylContact O-C 3.56Å; Q186-A230 WeakPolarHBondContact O-CA 3.43Å; Q186-V231 PolarHBondContact N-O 3.07Å; Q186-V231 PolarHBondContact O-N 2.85Å
187Y93.2Very high87.5Confident15 Ų1561.6 Ų61.66%0.05932%0.324CS..EExtended strand (participates in β ladder)trans-110.2131.5175.6-63.9-94.9000109.5P156 W175 P177 T185 L204 H209 V228 K229 A230P156-Y187 HydrophobicContact CG-CD1 4.39Å; P156-Y187 HydrophobicContact CG-CE1 4.18Å; W175-Y187 HydrophobicContact CZ2-CD1 4.42Å; W175-Y187 HydrophobicContact CZ2-CG 4.34Å; W175-Y187 AromaticContact NE1-CD1 3.52Å; W175-Y187 AromaticContact NE1-CE1 3.86Å; P177-Y187 HydrophobicContact CB-CE1 4.45Å; P177-Y187 VanDerWaalsContact CB-OH 3.32Å; P177-Y187 WeakPolarHBondContact CB-OH 3.36Å; T185-Y187 HydrophobicContact CG2-CD2 4.49Å; T185-Y187 HydrophobicContact CG2-CE2 3.84Å; Y187-L204 WeakPolarHBondContact O-CB 3.38Å; Y187-L204 WeakPolarHBondContact O-CD1 3.21Å; Y187-L204 PolarHBondContact O-N 2.81Å; Y187-H209 AromaticContact CE2-CE1 3.61Å; Y187-H209 AromaticContact CE2-ND1 3.72Å; Y187-H209 AromaticContact CZ-CE1 3.98Å; Y187-H209 AromaticContact CZ-ND1 3.98Å; Y187-V228 HydrophobicContact CD1-CG1 3.91Å; Y187-K229 WeakPolarHBondContact CA-O 3.44Å; Y187-A230 HydrophobicContact CD1-CB 3.89Å; Y187-A230 HydrophobicContact CE1-CB 3.67Å
188T93.9Very high86.9Confident14 Ų1464.7 Ų64.79%0.08634%0.336CS..EExtended strand (participates in β ladder)trans-123.1123.7173.6-56.50000108.8Y190 Y202 M203 K229T188-Y190 HydrophobicContact CG2-CD2 4.11Å; T188-Y190 HydrophobicContact CG2-CE2 3.51Å; T188-Y202 WeakPolarHBondContact CA-O 3.28Å; T188-M203 HydrophobicContact CG2-CG 4.14Å; T188-K229 PolarHBondContact N-O 3.03Å; T188-K229 PolarHBondContact O-N 3.14Å
189L94.9Very high86.9Confident0 Ų066.9 Ų66.90%034%0.344CS..EExtended strand (participates in β ladder)trans-88.6130173.7-17473.8000109.1W175 T191 T201 Y202 L204 Y211 I213 I226 V228W175-L189 HydrophobicContact CZ3-CD1 4.19Å; L189-T191 HydrophobicContact CD2-CG2 4.49Å; L189-T191 HydrophobicContact CG-CG2 4.41Å; L189-T201 WeakPolarHBondContact O-CA 3.44Å; L189-Y202 HydrophobicContact CD2-CD2 4.28Å; L189-Y202 PolarHBondContact N-O 3.19Å; L189-Y202 PolarHBondContact O-N 2.86Å; L189-L204 HydrophobicContact CB-CD1 4.28Å; L189-Y211 HydrophobicContact CD2-CD1 3.73Å; L189-Y211 HydrophobicContact CD2-CG 4.18Å; L189-I213 HydrophobicContact CD2-CD1 4.05Å; L189-I213 HydrophobicContact CD2-CG1 3.93Å; L189-I226 HydrophobicContact CD1-CG2 3.59Å; L189-I226 HydrophobicContact CG-CG2 4.28Å; L189-V228 HydrophobicContact CD1-CG2 3.62Å
190Y93.1Very high87Confident66 Ų6663.2 Ų63.226%0.25933%0.329SS..EExtended strand (participates in β ladder)trans-111.8140.9174.9-68.3-100.9000108.9T188 T201 I226 Y227 K229T188-Y190 HydrophobicContact CG2-CD2 4.11Å; T188-Y190 HydrophobicContact CG2-CE2 3.51Å; Y190-T201 HydrophobicContact CD1-CG2 3.53Å; Y190-T201 HydrophobicContact CE1-CG2 3.58Å; Y190-T201 HydrophobicContact CG-CG2 4.41Å; Y190-I226 WeakPolarHBondContact O-CA 3.5Å; Y190-Y227 VanDerWaalsContact CB-CE2 3.49Å; Y190-Y227 VanDerWaalsContact CB-CZ 3.4Å; Y190-Y227 HydrophobicContact CD1-CE2 4.19Å; Y190-Y227 HydrophobicContact CD2-CD2 4.05Å; Y190-Y227 AromaticContact CD2-CE2 3.6Å; Y190-Y227 HydrophobicContact CD2-CE2 3.6Å; Y190-Y227 HydrophobicContact CE2-CE2 4.4Å; Y190-Y227 HydrophobicContact CG-CD2 4.18Å; Y190-Y227 AromaticContact CG-CE2 3.49Å; Y190-Y227 HydrophobicContact CG-CE2 3.49Å; Y190-Y227 VanDerWaalsContact CG-CE2 3.49Å; Y190-Y227 AromaticContact CG-CZ 3.69Å; Y190-Y227 PolarHBondContact N-O 2.88Å; Y190-Y227 PolarHBondContact O-N 2.82Å; Y190-Y227 VanDerWaalsContact O-N 3.11Å; Y190-K229 HydrophobicContact CD2-CB 4.25Å; Y190-K229 HydrophobicContact CE2-CB 3.72Å; Y190-K229 HydrophobicContact CE2-CD 4.22Å
191T93.1Very high87.4Confident2 Ų262.4 Ų62.41%0.01233%0.327CS..EExtended strand (participates in β ladder)trans-139.6128.4177.963.10000110.5L189 S199 N200 Y202 I213 E225 I226L189-T191 HydrophobicContact CD2-CG2 4.49Å; L189-T191 HydrophobicContact CG-CG2 4.41Å; T191-S199 WeakPolarHBondContact O-CA 3.4Å; T191-N200 PolarHBondContact N-O 2.97Å; T191-N200 PolarHBondContact O-N 2.88Å; T191-N200 WeakPolarHBondContact OG1-CB 3.37Å; T191-N200 PolarHBondContact OG1-O 3.15Å; T191-Y202 HydrophobicContact CG2-CE2 4.15Å; T191-I213 HydrophobicContact CG2-CD1 3.76Å; T191-I213 HydrophobicContact CG2-CG1 4.49Å; T191-E225 WeakPolarHBondContact CA-O 3.43Å; T191-I226 HydrophobicContact CG2-CD1 4.28Å; T191-I226 HydrophobicContact CG2-CG1 4.06Å; T191-I226 HydrophobicContact CG2-CG2 4.23Å
192E91.6Very high87.7Confident108 Ų10863.2 Ų63.251%0.50533%0.33SS..EExtended strand (participates in β ladder)trans-129.7130.4-178.7-173.7168.2173.400109.6I224 E225E192-I224 WeakPolarHBondContact O-CA 3.43Å; E192-I224 WeakPolarHBondContact O-CG1 3.47Å; E192-E225 PolarHBondContact N-O 2.04Å; E192-E225 PolarHBondContact O-N 2.89Å
193I89.4Confident87.9Confident6 Ų665 Ų653%0.03134%0.34CS..EExtended strand (participates in β ladder)trans-103.3124.8-173.8-59.1170.9000108.5D195 L196 V219 I224I193-D195 VanDerWaalsContact C-N 3.26Å; I193-D195 PolarHBondContact O-N 2.95Å; I193-D195 VanDerWaalsContact O-N 3.16Å; I193-L196 HydrophobicContact CB-CB 4.26Å; I193-L196 HydrophobicContact CG2-CB 4.21Å; I193-L196 HydrophobicContact CG2-CD1 4.37Å; I193-L196 PolarHBondContact O-N 2.83Å; I193-L196 VanDerWaalsContact O-N 3.14Å; I193-V219 HydrophobicContact CD1-CG2 4.46Å; I193-I224 HydrophobicContact CG1-CD1 3.9Å; I193-I224 HydrophobicContact CG1-CG1 3.94Å
194R82.1Confident88.1Confident147 Ų14764.7 Ų64.756%0.55534%0.338SS*.THydrogen-bonded Turntrans-60.8-31.4-171.4-81.1-174.6163.6-171.8-4.5115E223R194-E223 HydrophobicContact CB-CB 4.48Å; R194-E223 WeakPolarHBondContact CD-OE2 3.4Å; R194-E223 HydrophobicContact CG-CB 4.35Å; R194-E223 IonicContact CZ-OE2 3.86Å; R194-E223 PolarHBondContact N-O 2.86Å; R194-E223 IonicContact NE-OE2 3.3Å; R194-E223 IonicContact NH1-OE2 3.9Å; R194-E223 PolarHBondContact NH1-OE2 3.04Å
195D77.8Confident88Confident123 Ų12364.5 Ų64.566%0.65834%0.337SS*.THydrogen-bonded Turntrans-92.7-1.4-178.1-58.5-56.9000114.1I193 S222I193-D195 VanDerWaalsContact C-N 3.26Å; I193-D195 PolarHBondContact O-N 2.95Å; I193-D195 VanDerWaalsContact O-N 3.16Å; D195-S222 WeakPolarHBondContact OD2-CB 3.43Å; D195-S222 PolarHBondContact OD2-OG 2.82Å
196L78.8Confident87.6Confident70 Ų7069 Ų6937%0.36637%0.367SS..EExtended strand (participates in β ladder)trans-140.7134.4-173.5-72170.8000111.9I193 E198 V219I193-L196 HydrophobicContact CB-CB 4.26Å; I193-L196 HydrophobicContact CG2-CB 4.21Å; I193-L196 HydrophobicContact CG2-CD1 4.37Å; I193-L196 PolarHBondContact O-N 2.83Å; I193-L196 VanDerWaalsContact O-N 3.14Å; L196-E198 HydrophobicContact CB-CB 4.41Å; L196-E198 HydrophobicContact CB-CG 4.45Å; L196-E198 PolarHBondContact O-N 3.45Å; L196-V219 HydrophobicContact CD1-CG2 4.08Å
197P74.4Confident87.1Confident134 Ų13467.5 Ų67.587%0.8738%0.375SS*.EExtended strand (participates in β ladder)trans-73.428.6175.534.1-37.3000113.4
198E76.9Confident86.8Confident102 Ų10269.4 Ų69.448%0.47739%0.388SS..EExtended strand (participates in β ladder)trans-97.797.7179.5-66.8-172169.100109.9L196L196-E198 HydrophobicContact CB-CB 4.41Å; L196-E198 HydrophobicContact CB-CG 4.45Å; L196-E198 PolarHBondContact O-N 3.45Å
199S85.9Confident86.7Confident87 Ų8771.7 Ų71.761%0.60840%0.398SS*.EExtended strand (participates in β ladder)trans-93127.9165.753.10000110T191T191-S199 WeakPolarHBondContact O-CA 3.4Å
200N88.3Confident86.7Confident49 Ų4979.3 Ų79.326%0.26243%0.427SS..EExtended strand (participates in β ladder)trans-110.2147175-70.6-88.2000110.2T191 Y202T191-N200 PolarHBondContact N-O 2.97Å; T191-N200 PolarHBondContact O-N 2.88Å; T191-N200 WeakPolarHBondContact OG1-CB 3.37Å; T191-N200 PolarHBondContact OG1-O 3.15Å; N200-Y202 HydrophobicContact CB-CE2 3.77Å; N200-Y202 WeakPolarHBondContact CB-OH 3.42Å
201T91.9Very high86.7Confident86 Ų8679.3 Ų79.353%0.52843%0.426SS..EExtended strand (participates in β ladder)trans-131134.3178.864.40000110.4L189 Y190L189-T201 WeakPolarHBondContact O-CA 3.44Å; Y190-T201 HydrophobicContact CD1-CG2 3.53Å; Y190-T201 HydrophobicContact CE1-CG2 3.58Å; Y190-T201 HydrophobicContact CG-CG2 4.41Å
202Y92.6Very high86.7Confident27 Ų2785 Ų8511%0.10645%0.451CS..EExtended strand (participates in β ladder)trans-130.3109.7-175.4-51.6-77.2000109.7T188 L189 T191 N200 Y211 I213 G217T188-Y202 WeakPolarHBondContact CA-O 3.28Å; L189-Y202 HydrophobicContact CD2-CD2 4.28Å; L189-Y202 PolarHBondContact N-O 3.19Å; L189-Y202 PolarHBondContact O-N 2.86Å; T191-Y202 HydrophobicContact CG2-CE2 4.15Å; N200-Y202 HydrophobicContact CB-CE2 3.77Å; N200-Y202 WeakPolarHBondContact CB-OH 3.42Å; Y202-Y211 AromaticContact CD1-CE1 3.58Å; Y202-Y211 HydrophobicContact CD1-CE1 3.58Å; Y202-Y211 AromaticContact CD1-CZ 3.67Å; Y202-Y211 WeakPolarHBondContact CD1-OH 3.43Å; Y202-Y211 HydrophobicContact CD2-CD1 4.32Å; Y202-Y211 AromaticContact CD2-CE1 3.84Å; Y202-Y211 HydrophobicContact CD2-CE1 3.84Å; Y202-Y211 HydrophobicContact CE1-CE1 4.16Å; Y202-Y211 HydrophobicContact CE2-CE1 4.41Å; Y202-Y211 HydrophobicContact CG-CD1 4.14Å; Y202-Y211 AromaticContact CG-CE1 3.37Å; Y202-Y211 HydrophobicContact CG-CE1 3.37Å; Y202-Y211 AromaticContact CG-CZ 3.74Å; Y202-I213 HydrophobicContact CE2-CG1 4.26Å; Y202-I213 HydrophobicContact CE2-CG2 4.04Å; Y202-G217 WeakPolarHBondContact OH-CA 3.36Å
203M91.6Very high86.8Confident125 Ų12579.9 Ų79.962%0.61643%0.427SS*.EExtended strand (participates in β ladder)trans-83.1129.5175.4-67.6169.562.700110.1T188T188-M203 HydrophobicContact CG2-CG 4.14Å
204L90.9Very high86.9Confident7 Ų782 Ų824%0.03744%0.441CS..PPolyproline II helixtrans-96.3151.2179.7-73.491.2000112.5W175 Y187 L189 V208 Y211W175-L204 HydrophobicContact CH2-CD1 3.76Å; W175-L204 HydrophobicContact CH2-CD2 3.55Å; W175-L204 HydrophobicContact CH2-CG 4.32Å; W175-L204 HydrophobicContact CZ2-CD1 4.21Å; W175-L204 HydrophobicContact CZ2-CD2 3.89Å; Y187-L204 WeakPolarHBondContact O-CB 3.38Å; Y187-L204 WeakPolarHBondContact O-CD1 3.21Å; Y187-L204 PolarHBondContact O-N 2.81Å; L189-L204 HydrophobicContact CB-CD1 4.28Å; L204-V208 HydrophobicContact CD2-CB 4.09Å; L204-V208 HydrophobicContact CD2-CG1 3.85Å; L204-V208 WeakPolarHBondContact CD2-O 3.39Å; L204-Y211 HydrophobicContact CD1-CD2 4.42Å; L204-Y211 HydrophobicContact CD2-CD2 4.26Å; L204-Y211 HydrophobicContact CG-CD2 4.1Å
205P87Confident87.3Confident84 Ų8479.6 Ų79.655%0.54543%0.432SS..PPolyproline II helixtrans-61.7154.1165.2-18.731.7000112V208P205-V208 HydrophobicContact CB-CG2 3.98Å; P205-V208 HydrophobicContact CG-CG2 4.28Å; P205-V208 PolarHBondContact O-N 3.35Å
206P80.8Confident87.7Confident106 Ų10679.5 Ų79.569%0.68844%0.436SS*.THydrogen-bonded Turntrans-55.8140.2175.6-24.534.5000112.4V208P206-V208 VanDerWaalsContact C-N 3.27Å; P206-V208 PolarHBondContact O-N 2.86Å
207G80.4Confident88.1Confident59 Ų5976.2 Ų76.261%0.60842%0.419SS*.THydrogen-bonded Turntrans756179.500000115.5
208V88.4Confident88.9Confident56 Ų5670 Ų7034%0.33938%0.378SS..  trans-100.9120.4175.3-170.30000110L204 P205 P206 R210L204-V208 HydrophobicContact CD2-CB 4.09Å; L204-V208 HydrophobicContact CD2-CG1 3.85Å; L204-V208 WeakPolarHBondContact CD2-O 3.39Å; P205-V208 HydrophobicContact CB-CG2 3.98Å; P205-V208 HydrophobicContact CG-CG2 4.28Å; P205-V208 PolarHBondContact O-N 3.35Å; P206-V208 VanDerWaalsContact C-N 3.27Å; P206-V208 PolarHBondContact O-N 2.86Å; V208-R210 WeakPolarHBondContact CG1-O 3.39Å
209H91.3Very high89.5Confident61 Ų6167.6 Ų67.628%0.28237%0.371SS..  trans-117.221.9-177.3-46.8-50.4000112.9Q174 W175 Y187Q174-H209 WeakPolarHBondContact CA-O 3.38Å; W175-H209 PolarHBondContact N-O 2.98Å; Y187-H209 AromaticContact CE2-CE1 3.61Å; Y187-H209 AromaticContact CE2-ND1 3.72Å; Y187-H209 AromaticContact CZ-CE1 3.98Å; Y187-H209 AromaticContact CZ-ND1 3.98Å
210R93.5Very high89.7Confident161 Ų16163.8 Ų63.861%0.60834%0.343SS*.EExtended strand (participates in β ladder)trans-146.7131.2178.5-178.5174.666.4-178.1-2110.3C173 Q174 V208C173-R210 CarbonylContact O-C 3.57Å; C173-R210 VanDerWaalsContact O-CA 3.28Å; C173-R210 WeakPolarHBondContact O-CA 3.33Å; C173-R210 WeakPolarHBondContact O-CG 3.1Å; Q174-R210 HydrophobicContact CB-CB 4.17Å; Q174-R210 HydrophobicContact CB-CG 4.03Å; V208-R210 WeakPolarHBondContact CG1-O 3.39Å
211Y94.1Very high89.7Confident65 Ų6566.3 Ų66.326%0.25535%0.352SS..EExtended strand (participates in β ladder)trans-122.6158.3178.5-163.4-110.4000111.9S172 C173 L189 Y202 L204 I213S172-Y211 CarbonylContact C-O 3.51Å; S172-Y211 WeakPolarHBondContact CA-O 3.22Å; C173-Y211 PolarHBondContact N-O 3.36Å; C173-Y211 PolarHBondContact O-N 3.41Å; L189-Y211 HydrophobicContact CD2-CD1 3.73Å; L189-Y211 HydrophobicContact CD2-CG 4.18Å; Y202-Y211 AromaticContact CD1-CE1 3.58Å; Y202-Y211 HydrophobicContact CD1-CE1 3.58Å; Y202-Y211 AromaticContact CD1-CZ 3.67Å; Y202-Y211 WeakPolarHBondContact CD1-OH 3.43Å; Y202-Y211 HydrophobicContact CD2-CD1 4.32Å; Y202-Y211 AromaticContact CD2-CE1 3.84Å; Y202-Y211 HydrophobicContact CD2-CE1 3.84Å; Y202-Y211 HydrophobicContact CE1-CE1 4.16Å; Y202-Y211 HydrophobicContact CE2-CE1 4.41Å; Y202-Y211 HydrophobicContact CG-CD1 4.14Å; Y202-Y211 AromaticContact CG-CE1 3.37Å; Y202-Y211 HydrophobicContact CG-CE1 3.37Å; Y202-Y211 AromaticContact CG-CZ 3.74Å; L204-Y211 HydrophobicContact CD1-CD2 4.42Å; L204-Y211 HydrophobicContact CD2-CD2 4.26Å; L204-Y211 HydrophobicContact CG-CD2 4.1Å; Y211-I213 HydrophobicContact CD1-CG1 3.93Å; Y211-I213 HydrophobicContact CE1-CG1 4.28Å
212K93.7Very high89.7Confident122 Ų12262.7 Ų62.753%0.5333%0.33SS..EExtended strand (participates in β ladder)trans-121.6104.4170.6-69.2-169174-174.50109
213I93.3Very high89.6Confident0 Ų065.3 Ų65.30%034%0.343CS..EExtended strand (participates in β ladder)trans-70.5126.1175.3-54.3159.8000107.5T170 L171 L189 T191 Y202 Y211 F218 I226T170-I213 WeakPolarHBondContact CA-O 3.41Å; L171-I213 HydrophobicContact CB-CB 4.21Å; L171-I213 HydrophobicContact CB-CD1 4.25Å; L171-I213 HydrophobicContact CD2-CD1 3.85Å; L171-I213 HydrophobicContact CG-CD1 4.01Å; L171-I213 PolarHBondContact N-O 2.98Å; L171-I213 VanDerWaalsContact N-O 3.15Å; L171-I213 PolarHBondContact O-N 2.79Å; L189-I213 HydrophobicContact CD2-CD1 4.05Å; L189-I213 HydrophobicContact CD2-CG1 3.93Å; T191-I213 HydrophobicContact CG2-CD1 3.76Å; T191-I213 HydrophobicContact CG2-CG1 4.49Å; Y202-I213 HydrophobicContact CE2-CG1 4.26Å; Y202-I213 HydrophobicContact CE2-CG2 4.04Å; Y211-I213 HydrophobicContact CD1-CG1 3.93Å; Y211-I213 HydrophobicContact CE1-CG1 4.28Å; I213-F218 HydrophobicContact CB-CD1 4.38Å; I213-F218 HydrophobicContact CG2-CD1 3.94Å; I213-I226 HydrophobicContact CD1-CD1 4.01Å
214P92.3Very high89.7Confident51 Ų5159.4 Ų59.433%0.33131%0.314SS..EExtended strand (participates in β ladder)trans-70.6161177.231.3-35.9000111T216 G217 F218P214-T216 PolarHBondContact O-N 2.85Å; P214-G217 PolarHBondContact O-N 3.04Å; P214-F218 WeakPolarHBondContact O-CD1 3.36Å; P214-F218 WeakPolarHBondContact O-CE1 3.38Å
215R89Confident89.8Confident97 Ų9762 Ų6237%0.36633%0.326SS..G310 helixtrans-56.9-21.1-176.4-171.847.7-179.585.63.1115.7E169 G217 F218E169-R215 HydrophobicContact CB-CB 4.28Å; E169-R215 HydrophobicContact CB-CG 4.05Å; E169-R215 WeakPolarHBondContact O-CB 3.41Å; E169-R215 PolarHBondContact O-N 2.98Å; E169-R215 VanDerWaalsContact OE2-CD 3.31Å; E169-R215 WeakPolarHBondContact OE2-CD 3.36Å; E169-R215 IonicContact OE2-CZ 3.39Å; E169-R215 IonicContact OE2-NE 2.74Å; E169-R215 PolarHBondContact OE2-NE 2.91Å; R215-G217 VanDerWaalsContact C-N 3.3Å; R215-F218 PolarHBondContact NH1-O 3.05Å
216T87.2Confident90.2Very high121 Ų12158 Ų5874%0.74230%0.3SS*.G310 helixtrans-75.9-14.8174.851.50000113.8P214P214-T216 PolarHBondContact O-N 2.85Å
217G86.9Confident90.8Very high0 Ų056 Ų560%028%0.279CS..G310 helixtrans-98.96.7-177.100000115.4Y202 P214 R215Y202-G217 WeakPolarHBondContact OH-CA 3.36Å; P214-G217 PolarHBondContact O-N 3.04Å; R215-G217 VanDerWaalsContact C-N 3.3Å
218F90.3Very high91.5Very high3 Ų353.1 Ų53.11%0.01325%0.25CS..  trans-157.1157.2177.266.5-83000112T163 L171 I213 P214 R215 L220 I224 P246T163-F218 HydrophobicContact CG2-CE2 4.19Å; L171-F218 HydrophobicContact CB-CD1 3.88Å; L171-F218 HydrophobicContact CB-CD2 4.43Å; L171-F218 HydrophobicContact CB-CE1 3.78Å; L171-F218 HydrophobicContact CB-CE2 4.34Å; L171-F218 HydrophobicContact CB-CG 4.21Å; L171-F218 HydrophobicContact CB-CZ 4.03Å; L171-F218 HydrophobicContact CD2-CB 4.37Å; L171-F218 HydrophobicContact CD2-CG 4.35Å; I213-F218 HydrophobicContact CB-CD1 4.38Å; I213-F218 HydrophobicContact CG2-CD1 3.94Å; P214-F218 WeakPolarHBondContact O-CD1 3.36Å; P214-F218 WeakPolarHBondContact O-CE1 3.38Å; R215-F218 PolarHBondContact NH1-O 3.05Å; F218-L220 HydrophobicContact CD2-CD2 4.43Å; F218-L220 HydrophobicContact CE2-CD2 3.79Å; F218-L220 HydrophobicContact CE2-CG 4.44Å; F218-I224 HydrophobicContact CB-CD1 3.75Å; F218-P246 HydrophobicContact CB-CG 4.43Å; F218-P246 HydrophobicContact CD2-CB 3.8Å; F218-P246 HydrophobicContact CD2-CG 3.98Å; F218-P246 HydrophobicContact CE2-CB 4.2Å
219V89.8Confident91.8Very high53 Ų5352.8 Ų52.832%0.32124%0.244SC..  trans-111.1141.2172.7174.20000108.7I193 L196 P246I193-V219 HydrophobicContact CD1-CG2 4.46Å; L196-V219 HydrophobicContact CD1-CG2 4.08Å; V219-P246 WeakPolarHBondContact O-CD 3.33Å; V219-P246 VanDerWaalsContact O-CG 3.26Å; V219-P246 WeakPolarHBondContact O-CG 3.25Å
220L89.6Confident91.9Very high6 Ų649.9 Ų49.93%0.03123%0.231CC..THydrogen-bonded Turntrans-73.2-30.7-172.2-74.6171.1000114.7T163 L165 F218 E245 P246 M247 W282T163-L220 HydrophobicContact CG2-CD2 3.97Å; L165-L220 HydrophobicContact CD2-CD2 3.98Å; F218-L220 HydrophobicContact CD2-CD2 4.43Å; F218-L220 HydrophobicContact CE2-CD2 3.79Å; F218-L220 HydrophobicContact CE2-CG 4.44Å; L220-E245 VanDerWaalsContact O-CG 3.25Å; L220-E245 WeakPolarHBondContact O-CG 3.08Å; L220-P246 HydrophobicContact CD2-CB 4.36Å; L220-M247 HydrophobicContact CB-CE 4.38Å; L220-M247 HydrophobicContact CD1-CE 4.21Å; L220-M247 HydrophobicContact CD2-CE 4.31Å; L220-M247 WeakPolarHBondContact O-CB 3.05Å; L220-M247 PolarHBondContact O-N 3.07Å; L220-W282 HydrophobicContact CD1-CH2 3.66Å; L220-W282 HydrophobicContact CD1-CZ2 3.75Å
221F89.9Confident91.8Very high103 Ų10344.6 Ų44.645%0.45222%0.216SC..THydrogen-bonded Turntrans-123.145.9-172.8-57.1-77.5000111.2E245 M247 W282F221-E245 WeakPolarHBondContact CA-OE2 3.34Å; F221-M247 HydrophobicContact CD1-CB 4.07Å; F221-M247 HydrophobicContact CD1-CG 4.28Å; F221-M247 HydrophobicContact CE1-CB 3.95Å; F221-M247 HydrophobicContact CE1-CE 4.18Å; F221-M247 HydrophobicContact CE1-CG 3.69Å; F221-M247 HydrophobicContact CE2-CE 4.49Å; F221-M247 HydrophobicContact CZ-CE 3.84Å; F221-M247 HydrophobicContact CZ-CG 4.31Å; F221-W282 AromaticContact CE2-CH2 3.91Å; F221-W282 HydrophobicContact CE2-CH2 3.91Å; F221-W282 AromaticContact CE2-CZ3 3.76Å; F221-W282 HydrophobicContact CE2-CZ3 3.76Å; F221-W282 AromaticContact CZ-CH2 3.94Å; F221-W282 HydrophobicContact CZ-CH2 3.94Å; F221-W282 AromaticContact CZ-CZ3 3.75Å; F221-W282 HydrophobicContact CZ-CZ3 3.75Å
222S90.7Very high91.7Very high9 Ų942.2 Ų42.26%0.06321%0.208CC..SBendtrans-151.1145.4178174.30000107.3D195 I224 P246D195-S222 WeakPolarHBondContact OD2-CB 3.43Å; D195-S222 PolarHBondContact OD2-OG 2.82Å; S222-I224 PolarHBondContact O-N 3.11Å; S222-P246 VanDerWaalsContact O-CD 3.25Å; S222-P246 WeakPolarHBondContact O-CD 3.26Å
223E91.9Very high91.5Very high82 Ų8240 Ų4038%0.38321%0.213SC..  trans-72.8126.6179.8-70.4-175.9140.200110.8R194 L243 L244R194-E223 HydrophobicContact CB-CB 4.48Å; R194-E223 WeakPolarHBondContact CD-OE2 3.4Å; R194-E223 HydrophobicContact CG-CB 4.35Å; R194-E223 IonicContact CZ-OE2 3.86Å; R194-E223 PolarHBondContact N-O 2.86Å; R194-E223 IonicContact NE-OE2 3.3Å; R194-E223 IonicContact NH1-OE2 3.9Å; R194-E223 PolarHBondContact NH1-OE2 3.04Å; E223-L243 HydrophobicContact CB-CD1 4.01Å; E223-L244 WeakPolarHBondContact CA-O 3.49Å
224I92.3Very high91.3Very high1 Ų142.6 Ų42.61%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-112.1131.9173.3-165.2170000109.7L171 E192 I193 F218 S222 I226 L244 P246L171-I224 HydrophobicContact CD2-CG2 4.35Å; E192-I224 WeakPolarHBondContact O-CA 3.43Å; E192-I224 WeakPolarHBondContact O-CG1 3.47Å; I193-I224 HydrophobicContact CG1-CD1 3.9Å; I193-I224 HydrophobicContact CG1-CG1 3.94Å; F218-I224 HydrophobicContact CB-CD1 3.75Å; S222-I224 PolarHBondContact O-N 3.11Å; I224-I226 HydrophobicContact CD1-CD1 4.42Å; I224-I226 HydrophobicContact CD1-CG1 4.5Å; I224-I226 HydrophobicContact CG1-CD1 4.44Å; I224-I226 HydrophobicContact CG1-CG1 4.1Å; I224-I226 HydrophobicContact CG2-CD1 3.95Å; I224-I226 HydrophobicContact CG2-CG1 4.14Å; I224-L244 HydrophobicContact CG2-CD1 4.42Å; I224-L244 HydrophobicContact CG2-CG 4.06Å; I224-L244 PolarHBondContact N-O 3.06Å; I224-L244 PolarHBondContact O-N 3.08Å; I224-P246 HydrophobicContact CG2-CG 3.78Å
225E93.6Very high91.2Very high61 Ų6141.5 Ų41.529%0.28522%0.224SC..EExtended strand (participates in β ladder)trans-97.1126.8172.9-172.4166.4154.800109.2T191 E192 P241 L243T191-E225 WeakPolarHBondContact CA-O 3.43Å; E192-E225 PolarHBondContact N-O 2.04Å; E192-E225 PolarHBondContact O-N 2.89Å; E225-P241 HydrophobicContact CG-CB 3.75Å; E225-P241 WeakPolarHBondContact OE1-CB 3.23Å; E225-L243 HydrophobicContact CB-CD1 4.15Å
226I94.6Very high91.4Very high0 Ų042.8 Ų42.80%023%0.234CC..EExtended strand (participates in β ladder)trans-129.4129.1-172.4-55.6-171.7000109.7L159 L171 L189 Y190 T191 I213 I224 L242 L244L159-I226 HydrophobicContact CD2-CG2 4.42Å; L159-I226 WeakPolarHBondContact CD2-O 3.32Å; L171-I226 HydrophobicContact CD2-CD1 3.67Å; L189-I226 HydrophobicContact CD1-CG2 3.59Å; L189-I226 HydrophobicContact CG-CG2 4.28Å; Y190-I226 WeakPolarHBondContact O-CA 3.5Å; T191-I226 HydrophobicContact CG2-CD1 4.28Å; T191-I226 HydrophobicContact CG2-CG1 4.06Å; T191-I226 HydrophobicContact CG2-CG2 4.23Å; I213-I226 HydrophobicContact CD1-CD1 4.01Å; I224-I226 HydrophobicContact CD1-CD1 4.42Å; I224-I226 HydrophobicContact CD1-CG1 4.5Å; I224-I226 HydrophobicContact CG1-CD1 4.44Å; I224-I226 HydrophobicContact CG1-CG1 4.1Å; I224-I226 HydrophobicContact CG2-CD1 3.95Å; I224-I226 HydrophobicContact CG2-CG1 4.14Å; I226-L242 PolarHBondContact N-O 2.89Å; I226-L242 PolarHBondContact O-N 2.92Å; I226-L244 HydrophobicContact CD1-CD2 4.14Å
227Y94.5Very high91.7Very high64 Ų6437.9 Ų37.925%0.25121%0.206SC..EExtended strand (participates in β ladder)trans-143.3155.8174.261.5-90.3000112.4Y190Y190-Y227 VanDerWaalsContact CB-CE2 3.49Å; Y190-Y227 VanDerWaalsContact CB-CZ 3.4Å; Y190-Y227 HydrophobicContact CD1-CE2 4.19Å; Y190-Y227 HydrophobicContact CD2-CD2 4.05Å; Y190-Y227 AromaticContact CD2-CE2 3.6Å; Y190-Y227 HydrophobicContact CD2-CE2 3.6Å; Y190-Y227 HydrophobicContact CE2-CE2 4.4Å; Y190-Y227 HydrophobicContact CG-CD2 4.18Å; Y190-Y227 AromaticContact CG-CE2 3.49Å; Y190-Y227 HydrophobicContact CG-CE2 3.49Å; Y190-Y227 VanDerWaalsContact CG-CE2 3.49Å; Y190-Y227 AromaticContact CG-CZ 3.69Å; Y190-Y227 PolarHBondContact N-O 2.88Å; Y190-Y227 PolarHBondContact O-N 2.82Å; Y190-Y227 VanDerWaalsContact O-N 3.11Å
228V95.1Very high92.1Very high0 Ų041.4 Ų41.40%023%0.228CC..EExtended strand (participates in β ladder)trans-112.5130.1-179.8-177.60000109.4P156 L159 W175 Y187 L189 T238 S239P156-V228 HydrophobicContact CB-CB 4.32Å; P156-V228 HydrophobicContact CB-CG1 4.36Å; P156-V228 HydrophobicContact CG-CB 4.21Å; P156-V228 HydrophobicContact CG-CG1 3.96Å; L159-V228 HydrophobicContact CD1-CG2 3.91Å; L159-V228 HydrophobicContact CD2-CG2 4.26Å; W175-V228 HydrophobicContact CD2-CB 4.47Å; W175-V228 HydrophobicContact CD2-CG1 4.19Å; W175-V228 HydrophobicContact CD2-CG2 3.66Å; W175-V228 HydrophobicContact CE3-CG2 3.59Å; W175-V228 HydrophobicContact CG-CG2 4.16Å; W175-V228 HydrophobicContact CH2-CG2 4.31Å; W175-V228 HydrophobicContact CZ2-CG1 3.98Å; W175-V228 HydrophobicContact CZ2-CG2 4.39Å; W175-V228 HydrophobicContact CZ3-CG2 3.93Å; Y187-V228 HydrophobicContact CD1-CG1 3.91Å; L189-V228 HydrophobicContact CD1-CG2 3.62Å; V228-T238 CarbonylContact O-C 3.56Å; V228-T238 WeakPolarHBondContact O-CA 3.39Å; V228-S239 PolarHBondContact N-OG 3.38Å; V228-S239 PolarHBondContact O-N 3.16Å
229K93.9Very high92.3Very high49 Ų4941.6 Ų41.621%0.21323%0.229CC..EExtended strand (participates in β ladder)trans-105.8122.2170.8-168.1166.7-175.1165.10110Y187 T188 Y190 V231 A237 T238Y187-K229 WeakPolarHBondContact CA-O 3.44Å; T188-K229 PolarHBondContact N-O 3.03Å; T188-K229 PolarHBondContact O-N 3.14Å; Y190-K229 HydrophobicContact CD2-CB 4.25Å; Y190-K229 HydrophobicContact CE2-CB 3.72Å; Y190-K229 HydrophobicContact CE2-CD 4.22Å; K229-V231 HydrophobicContact CG-CG2 4.08Å; K229-A237 CarbonylContact C-O 3.54Å; K229-A237 WeakPolarHBondContact CA-O 3.46Å; K229-T238 HydrophobicContact CB-CG2 4.13Å; K229-T238 HydrophobicContact CD-CG2 4.15Å; K229-T238 HydrophobicContact CG-CG2 3.85Å
230A93.1Very high92.5Very high0 Ų044.4 Ų44.40%025%0.247CC..EExtended strand (participates in β ladder)trans-98134.6170.700000109.5P153 P156 T185 Q186 Y187 Q236 A237P153-A230 HydrophobicContact CB-CB 3.82Å; P153-A230 HydrophobicContact CG-CB 4.36Å; P156-A230 HydrophobicContact CG-CB 4.12Å; T185-A230 HydrophobicContact CG2-CB 4.05Å; Q186-A230 CarbonylContact O-C 3.56Å; Q186-A230 WeakPolarHBondContact O-CA 3.43Å; Y187-A230 HydrophobicContact CD1-CB 3.89Å; Y187-A230 HydrophobicContact CE1-CB 3.67Å; A230-Q236 CarbonylContact O-C 3.59Å; A230-Q236 WeakPolarHBondContact O-CA 3.19Å; A230-A237 PolarHBondContact N-O 3.41Å; A230-A237 PolarHBondContact O-N 2.88Å
231V92.6Very high92.7Very high49 Ų4947.7 Ų47.730%0.29727%0.269SS..EExtended strand (participates in β ladder)trans-136.6131.6-179.8-172.50000109.7T185 Q186 K229 Q236T185-V231 CarbonylContact C-O 3.57Å; T185-V231 WeakPolarHBondContact CA-O 3.32Å; Q186-V231 PolarHBondContact N-O 3.07Å; Q186-V231 PolarHBondContact O-N 2.85Å; K229-V231 HydrophobicContact CG-CG2 4.08Å; V231-Q236 HydrophobicContact CB-CB 4.48Å; V231-Q236 HydrophobicContact CG1-CB 4.39Å; V231-Q236 HydrophobicContact CG2-CB 3.98Å
232N91.1Very high92.9Very high15 Ų1545.2 Ų45.28%0.0826%0.26CS..EExtended strand (participates in β ladder)trans-138.3-177.5167.980.919000110.8F151 T185 L234 G235F151-N232 PolarHBondContact O-ND2 2.88Å; T185-N232 HydrophobicContact CG2-CB 4.38Å; T185-N232 WeakPolarHBondContact OG1-CB 3.38Å; T185-N232 PolarHBondContact OG1-ND2 3.13Å; N232-L234 PolarHBondContact O-N 3.4Å; N232-L234 VanDerWaalsContact O-N 3.09Å; N232-L234 PolarHBondContact OD1-N 2.76Å; N232-G235 PolarHBondContact N-O 3.37Å; N232-G235 PolarHBondContact O-N 3.19Å; N232-G235 VanDerWaalsContact O-O 3.09Å; N232-G235 PolarHBondContact OD1-N 3.14Å
233A89.1Confident93Very high76 Ų7648.1 Ų48.163%0.62827%0.274SS*.THydrogen-bonded Turntrans-63.8-12.8-175.500000115.3V38V38-A233 HydrophobicContact CB-CB 4.14Å; V38-A233 HydrophobicContact CG1-CB 3.98Å; V38-A233 HydrophobicContact CG2-CB 4.19Å
234L89.8Confident93.1Very high54 Ų5445.3 Ų45.328%0.28326%0.262SS..THydrogen-bonded Turntrans-105.9-11.2179.9-59.4179.1000113.7V38 A40 G150 P152 L183 N232V38-L234 HydrophobicContact CG1-CD2 4.25Å; V38-L234 HydrophobicContact CG1-CG 4.49Å; A40-L234 HydrophobicContact CB-CD1 4.07Å; G150-L234 WeakPolarHBondContact O-CD1 3.31Å; P152-L234 HydrophobicContact CB-CB 4.27Å; L183-L234 HydrophobicContact CD1-CD1 3.47Å; L183-L234 VanDerWaalsContact CD1-CD1 3.47Å; L183-L234 HydrophobicContact CD1-CG 3.7Å; N232-L234 PolarHBondContact O-N 3.4Å; N232-L234 VanDerWaalsContact O-N 3.09Å; N232-L234 PolarHBondContact OD1-N 2.76Å
235G90.3Very high93.1Very high28 Ų2847.5 Ų47.529%0.28927%0.272SS..EExtended strand (participates in β ladder)trans164.4-169.9-179.200000115.1N232N232-G235 PolarHBondContact N-O 3.37Å; N232-G235 PolarHBondContact O-N 3.19Å; N232-G235 VanDerWaalsContact O-O 3.09Å; N232-G235 PolarHBondContact OD1-N 3.14Å
236Q93.7Very high93.1Very high124 Ų12444.6 Ų44.658%0.57926%0.258SS*.EExtended strand (participates in β ladder)trans-141.1147.3178.160.4-173.6-110.700111.1A230 V231A230-Q236 CarbonylContact O-C 3.59Å; A230-Q236 WeakPolarHBondContact O-CA 3.19Å; V231-Q236 HydrophobicContact CB-CB 4.48Å; V231-Q236 HydrophobicContact CG1-CB 4.39Å; V231-Q236 HydrophobicContact CG2-CB 3.98Å
237A93.4Very high92.9Very high19 Ų1944.6 Ų44.616%0.15726%0.258CS..EExtended strand (participates in β ladder)trans-140.3153.2175.200000110.6P153 A155 K229 A230P153-A237 HydrophobicContact CG-CB 4.38Å; P153-A237 VanDerWaalsContact O-CB 3.22Å; P153-A237 WeakPolarHBondContact O-CB 3.34Å; A155-A237 HydrophobicContact CB-CB 4.41Å; K229-A237 CarbonylContact C-O 3.54Å; K229-A237 WeakPolarHBondContact CA-O 3.46Å; A230-A237 PolarHBondContact N-O 3.41Å; A230-A237 PolarHBondContact O-N 2.88Å
238T94.3Very high92.8Very high73 Ų7345.6 Ų45.645%0.44827%0.265SS..EExtended strand (participates in β ladder)trans-122.5142.3-179.646.20000110.2A155 V228 K229A155-T238 WeakPolarHBondContact CB-O 3.46Å; V228-T238 CarbonylContact O-C 3.56Å; V228-T238 WeakPolarHBondContact O-CA 3.39Å; K229-T238 HydrophobicContact CB-CG2 4.13Å; K229-T238 HydrophobicContact CD-CG2 4.15Å; K229-T238 HydrophobicContact CG-CG2 3.85Å
239S95.6Very high92.7Very high7 Ų746.4 Ų46.45%0.04927%0.271CS..PPolyproline II helixtrans-65.5164.5170.171.10000110.8P156 V228P156-S239 WeakPolarHBondContact O-CB 3.43Å; V228-S239 PolarHBondContact N-OG 3.38Å; V228-S239 PolarHBondContact O-N 3.16Å
240T94.1Very high92.6Very high113 Ų11344 Ų4469%0.69326%0.261SS*.PPolyproline II helixtrans-58.4138.8156.348.60000109.4
241P93.8Very high92.6Very high75 Ų7547.3 Ų47.349%0.48728%0.275SS..PPolyproline II helixtrans-65.4140.6171.6-20.532.8000112E225E225-P241 HydrophobicContact CG-CB 3.75Å; E225-P241 WeakPolarHBondContact OE1-CB 3.23Å
242L94Very high92.5Very high50 Ų5045.3 Ų45.326%0.26226%0.262SS..EExtended strand (participates in β ladder)trans-105.7112.4172.5-179.471.8000108.4L159 C161 I226 L244L159-L242 HydrophobicContact CD2-CB 4.04Å; L159-L242 HydrophobicContact CG-CB 4.23Å; L159-L242 HydrophobicContact CG-CD2 4.28Å; C161-L242 HydrophobicContact CB-CD2 4.27Å; I226-L242 PolarHBondContact N-O 2.89Å; I226-L242 PolarHBondContact O-N 2.92Å; L242-L244 HydrophobicContact CD2-CD2 3.5Å; L242-L244 HydrophobicContact CG-CD2 3.71Å
243L93.1Very high92.6Very high70 Ų7046.1 Ų46.137%0.36627%0.267SS..EExtended strand (participates in β ladder)trans-93127.4171.8-172.671.5000109.3E223 E225E223-L243 HydrophobicContact CB-CD1 4.01Å; E225-L243 HydrophobicContact CB-CD1 4.15Å
244L92.9Very high92.7Very high23 Ų2345.7 Ų45.712%0.1226%0.257CS..EExtended strand (participates in β ladder)trans-152.1152.817767.6120.8000113.1C161 L171 E223 I224 I226 L242 P246 S249C161-L244 HydrophobicContact CB-CD2 4.12Å; L171-L244 HydrophobicContact CD1-CD1 4.32Å; E223-L244 WeakPolarHBondContact CA-O 3.49Å; I224-L244 HydrophobicContact CG2-CD1 4.42Å; I224-L244 HydrophobicContact CG2-CG 4.06Å; I224-L244 PolarHBondContact N-O 3.06Å; I224-L244 PolarHBondContact O-N 3.08Å; I226-L244 HydrophobicContact CD1-CD2 4.14Å; L242-L244 HydrophobicContact CD2-CD2 3.5Å; L242-L244 HydrophobicContact CG-CD2 3.71Å; L244-P246 HydrophobicContact CD1-CG 4.3Å; L244-S249 VanDerWaalsContact CD1-OG 3.23Å; L244-S249 WeakPolarHBondContact CD1-OG 3.36Å
245E92.8Very high92.8Very high48 Ų4843.2 Ų43.222%0.22425%0.245CC..  trans-86.2125.5158-179.2179.79900108.8L220 F221 M247 E248 S249L220-E245 VanDerWaalsContact O-CG 3.25Å; L220-E245 WeakPolarHBondContact O-CG 3.08Å; F221-E245 WeakPolarHBondContact CA-OE2 3.34Å; E245-M247 VanDerWaalsContact C-N 3.27Å; E245-M247 HydrophobicContact CG-CB 4.39Å; E245-M247 PolarHBondContact O-N 2.65Å; E245-E248 HydrophobicContact CB-CB 4.32Å; E245-E248 HydrophobicContact CB-CG 4.18Å; E245-E248 PolarHBondContact O-N 3.1Å; E245-S249 PolarHBondContact O-N 3.25Å
246P92.6Very high92.8Very high0 Ų047.2 Ų47.20%025%0.254CS..THydrogen-bonded Turntrans-60.9-28.4-178.4-3039.7000114.7T163 L171 F218 V219 L220 S222 I224 L244 S249 A250T163-P246 WeakPolarHBondContact CB-O 3.22Å; T163-P246 WeakPolarHBondContact OG1-CB 3.4Å; T163-P246 PolarHBondContact OG1-O 3.14Å; L171-P246 HydrophobicContact CD2-CG 4.3Å; F218-P246 HydrophobicContact CB-CG 4.43Å; F218-P246 HydrophobicContact CD2-CB 3.8Å; F218-P246 HydrophobicContact CD2-CG 3.98Å; F218-P246 HydrophobicContact CE2-CB 4.2Å; V219-P246 WeakPolarHBondContact O-CD 3.33Å; V219-P246 VanDerWaalsContact O-CG 3.26Å; V219-P246 WeakPolarHBondContact O-CG 3.25Å; L220-P246 HydrophobicContact CD2-CB 4.36Å; S222-P246 VanDerWaalsContact O-CD 3.25Å; S222-P246 WeakPolarHBondContact O-CD 3.26Å; I224-P246 HydrophobicContact CG2-CG 3.78Å; L244-P246 HydrophobicContact CD1-CG 4.3Å; P246-S249 PolarHBondContact O-N 3.05Å; P246-S249 PolarHBondContact O-OG 3.49Å; P246-S249 VanDerWaalsContact O-OG 3.07Å; P246-A250 PolarHBondContact O-N 2.99Å
247M92.2Very high92.7Very high0 Ų042.3 Ų42.30%023%0.233CC..THydrogen-bonded Turntrans-70.5-34.9172.3-176.46060.400112.9L165 L220 F221 E245 S249 A250 F252 W282 Y335L165-M247 HydrophobicContact CD1-CE 4.24Å; L165-M247 HydrophobicContact CD1-SD 4.16Å; L165-M247 HydrophobicContact CD2-CE 4.14Å; L220-M247 HydrophobicContact CB-CE 4.38Å; L220-M247 HydrophobicContact CD1-CE 4.21Å; L220-M247 HydrophobicContact CD2-CE 4.31Å; L220-M247 WeakPolarHBondContact O-CB 3.05Å; L220-M247 PolarHBondContact O-N 3.07Å; F221-M247 HydrophobicContact CD1-CB 4.07Å; F221-M247 HydrophobicContact CD1-CG 4.28Å; F221-M247 HydrophobicContact CE1-CB 3.95Å; F221-M247 HydrophobicContact CE1-CE 4.18Å; F221-M247 HydrophobicContact CE1-CG 3.69Å; F221-M247 HydrophobicContact CE2-CE 4.49Å; F221-M247 HydrophobicContact CZ-CE 3.84Å; F221-M247 HydrophobicContact CZ-CG 4.31Å; E245-M247 VanDerWaalsContact C-N 3.27Å; E245-M247 HydrophobicContact CG-CB 4.39Å; E245-M247 PolarHBondContact O-N 2.65Å; M247-S249 PolarHBondContact O-N 3.22Å; M247-A250 VanDerWaalsContact O-CB 3.26Å; M247-A250 WeakPolarHBondContact O-CB 3.39Å; M247-A250 PolarHBondContact O-N 3.01Å; M247-A250 VanDerWaalsContact O-N 3.14Å; M247-A250 HydrophobicContact SD-CB 4.09Å; M247-F252 HydrophobicContact SD-CE2 4.35Å; M247-F252 HydrophobicContact SD-CZ 4Å; M247-W282 HydrophobicContact CE-CH2 3.45Å; M247-W282 VanDerWaalsContact CE-CH2 3.45Å; M247-W282 HydrophobicContact CE-CZ2 3.98Å; M247-W282 HydrophobicContact CE-CZ3 4.38Å; M247-Y335 HydrophobicContact CB-CD1 4.48Å; M247-Y335 HydrophobicContact CB-CE1 4.39Å; M247-Y335 HydrophobicContact CG-CD1 3.44Å; M247-Y335 VanDerWaalsContact CG-CD1 3.44Å; M247-Y335 HydrophobicContact CG-CD2 4.13Å; M247-Y335 HydrophobicContact CG-CE1 3.54Å; M247-Y335 HydrophobicContact CG-CE2 4.24Å; M247-Y335 HydrophobicContact CG-CG 3.74Å; M247-Y335 HydrophobicContact SD-CD1 4.36Å; M247-Y335 HydrophobicContact SD-CD2 4.39Å; M247-Y335 HydrophobicContact SD-CG 4.09Å
248E91.4Very high92.5Very high84 Ų8447.1 Ų47.139%0.39326%0.255SS..THydrogen-bonded Turntrans-71.7-17.2175.7-64.9-141.7129.900113.3E245 Y335 Q336 S338E245-E248 HydrophobicContact CB-CB 4.32Å; E245-E248 HydrophobicContact CB-CG 4.18Å; E245-E248 PolarHBondContact O-N 3.1Å; E248-Y335 HydrophobicContact CG-CE1 4.48Å; E248-Q336 PolarHBondContact OE1-NE2 3.3Å; E248-S338 WeakPolarHBondContact O-CA 3.29Å; E248-S338 WeakPolarHBondContact O-CB 3.49Å
249S92.9Very high92.2Very high17 Ų1749.1 Ų49.112%0.11926%0.257CS..THydrogen-bonded Turntrans-97.78.8169.760.60000114.1L162 T163 L244 E245 P246 M247L162-S249 WeakPolarHBondContact CD1-O 3.2Å; T163-S249 PolarHBondContact N-O 2.64Å; T163-S249 VanDerWaalsContact N-O 3.1Å; T163-S249 PolarHBondContact OG1-OG 2.9Å; L244-S249 VanDerWaalsContact CD1-OG 3.23Å; L244-S249 WeakPolarHBondContact CD1-OG 3.36Å; E245-S249 PolarHBondContact O-N 3.25Å; P246-S249 PolarHBondContact O-N 3.05Å; P246-S249 PolarHBondContact O-OG 3.49Å; P246-S249 VanDerWaalsContact O-OG 3.07Å; M247-S249 PolarHBondContact O-N 3.22Å
250A92.3Very high92Very high0 Ų049.9 Ų49.90%026%0.262CS..EExtended strand (participates in β ladder)trans-79.5129.6-173.900000113.9T163 L165 P246 M247 F252 S338T163-A250 HydrophobicContact CG2-CB 4.38Å; T163-A250 WeakPolarHBondContact O-CA 3.26Å; L165-A250 HydrophobicContact CD1-CB 3.8Å; L165-A250 HydrophobicContact CD2-CB 4.33Å; L165-A250 HydrophobicContact CG-CB 3.96Å; P246-A250 PolarHBondContact O-N 2.99Å; M247-A250 VanDerWaalsContact O-CB 3.26Å; M247-A250 WeakPolarHBondContact O-CB 3.39Å; M247-A250 PolarHBondContact O-N 3.01Å; M247-A250 VanDerWaalsContact O-N 3.14Å; M247-A250 HydrophobicContact SD-CB 4.09Å; A250-F252 HydrophobicContact CB-CE2 4.23Å; A250-S338 WeakPolarHBondContact O-CB 3.43Å
251K91.9Very high91.9Very high69 Ų6947.6 Ų47.630%0.324%0.243SC..EExtended strand (participates in β ladder)trans-95.9125.1167-168.2169.4-176.3174.90110L162 T163 W340 E342L162-K251 HydrophobicContact CD1-CB 4.24Å; L162-K251 HydrophobicContact CD2-CB 4.21Å; L162-K251 HydrophobicContact CG-CB 4.34Å; T163-K251 PolarHBondContact O-N 3.14Å; K251-W340 WeakPolarHBondContact CE-O 3.17Å; K251-E342 WeakPolarHBondContact CE-OE1 3.46Å; K251-E342 IonicContact NZ-OE1 2.73Å; K251-E342 PolarHBondContact NZ-OE1 3.35Å
252F92Very high91.7Very high7 Ų745.1 Ų45.13%0.03123%0.229CC..PPolyproline II helixtrans-85.4153.8-178.4-77.1-103.9000112.4L165 M247 A250 L276 V283 V286 V333 S341L165-F252 HydrophobicContact CD1-CD1 4.24Å; L165-F252 HydrophobicContact CD1-CD2 4.37Å; L165-F252 HydrophobicContact CD1-CE1 3.83Å; L165-F252 HydrophobicContact CD1-CE2 3.94Å; L165-F252 HydrophobicContact CD1-CG 4.49Å; L165-F252 HydrophobicContact CD1-CZ 3.65Å; M247-F252 HydrophobicContact SD-CE2 4.35Å; M247-F252 HydrophobicContact SD-CZ 4Å; A250-F252 HydrophobicContact CB-CE2 4.23Å; F252-L276 HydrophobicContact CE1-CD1 4.44Å; F252-V283 HydrophobicContact CE1-CB 4.17Å; F252-V283 HydrophobicContact CE1-CG1 4.04Å; F252-V283 HydrophobicContact CE1-CG2 4Å; F252-V283 HydrophobicContact CZ-CG1 4.1Å; F252-V283 HydrophobicContact CZ-CG2 4.32Å; F252-V286 HydrophobicContact CE1-CG1 4.27Å; F252-V286 HydrophobicContact CZ-CG1 4.48Å; F252-V333 HydrophobicContact CB-CG2 3.85Å; F252-V333 HydrophobicContact CG-CG2 4.28Å; F252-S341 WeakPolarHBondContact O-CB 3.25Å
253D91.8Very high91.6Very high32 Ų3243.8 Ų43.817%0.17122%0.221CC..PPolyproline II helixtrans-62154.2168-66.92.9000109.6T166 S277 Q280T166-D253 PolarHBondContact OG1-OD1 2.95Å; T166-D253 VanDerWaalsContact OG1-OD1 3.13Å; D253-S277 WeakPolarHBondContact OD2-CB 3.19Å; D253-S277 PolarHBondContact OD2-OG 2.95Å; D253-Q280 PolarHBondContact OD1-NE2 3.26Å
254P92.9Very high91.2Very high67 Ų6743.6 Ų43.644%0.43523%0.225SC..PPolyproline II helixtrans-58.5126.1173-19.431000110.6E342P254-E342 HydrophobicContact CG-CB 4.23Å
255P91.9Very high90.8Very high2 Ų249.9 Ų49.91%0.01326%0.258CS..PPolyproline II helixtrans-68142.9-176.527.5-34.7000111I331 V333 S341 S344P255-I331 HydrophobicContact CB-CD1 4.03Å; P255-I331 HydrophobicContact CG-CB 4.41Å; P255-I331 HydrophobicContact CG-CD1 3.99Å; P255-I331 HydrophobicContact CG-CG1 3.95Å; P255-V333 HydrophobicContact CB-CG1 4.18Å; P255-V333 HydrophobicContact CB-CG2 4.38Å; P255-V333 HydrophobicContact CG-CG1 4.17Å; P255-V333 HydrophobicContact CG-CG2 4.27Å; P255-S341 WeakPolarHBondContact CD-OG 3.39Å; P255-S344 WeakPolarHBondContact O-CB 3.35Å
256K90.3Very high90.5Very high112 Ų11253.3 Ų53.349%0.48727%0.269SS..EExtended strand (participates in β ladder)trans-88.7122.1-179.4-66.4-177.6-177.6177.40110.1L258 W274 G275K256-L258 HydrophobicContact CB-CD2 4.37Å; K256-L258 PolarHBondContact O-N 2.56Å; K256-W274 CarbonylContact O-C 3.58Å; K256-W274 VanDerWaalsContact O-CA 3.3Å; K256-W274 WeakPolarHBondContact O-CA 3.34Å; K256-G275 PolarHBondContact N-O 2.76Å; K256-G275 PolarHBondContact O-N 2.76Å
257V90.3Very high90.2Very high21 Ų2159.4 Ų59.413%0.12729%0.293CS..EExtended strand (participates in β ladder)trans-75.4112.4166.3177.10000108V260 L272 I331 N347V257-V260 HydrophobicContact CG1-CG2 3.43Å; V257-V260 VanDerWaalsContact CG1-CG2 3.43Å; V257-L272 HydrophobicContact CG1-CD1 3.8Å; V257-L272 HydrophobicContact CG2-CD1 4.31Å; V257-I331 HydrophobicContact CG2-CD1 3.76Å; V257-I331 HydrophobicContact CG2-CG1 3.71Å; V257-N347 WeakPolarHBondContact CB-OD1 3.45Å; V257-N347 HydrophobicContact CG1-CB 3.98Å
258L88.9Confident90Very high120 Ų12059.6 Ų59.663%0.62830%0.295SS*.EExtended strand (participates in β ladder)trans-85.7-39.2-176-58.8176.6000111.6K256 S273K256-L258 HydrophobicContact CB-CD2 4.37Å; K256-L258 PolarHBondContact O-N 2.56Å; L258-S273 PolarHBondContact N-O 2.69Å
259K89Confident90Very high115 Ų11555.9 Ų55.950%0.528%0.278SS..EExtended strand (participates in β ladder)trans-159.7139.8175.5-160.4-178.1-172-166.70110.4Q261 S273K259-Q261 VanDerWaalsContact CE-OE1 3.3Å; K259-S273 PolarHBondContact N-O 2.92Å; K259-S273 VanDerWaalsContact N-O 3.12Å; K259-S273 PolarHBondContact O-N 2.87Å
260V90.8Very high89.9Confident23 Ų2355.1 Ų55.114%0.13927%0.273CS..EExtended strand (participates in β ladder)trans-122139162.9-161.30000108.3V257 L270 R271 L272 I329 N347 A349V257-V260 HydrophobicContact CG1-CG2 3.43Å; V257-V260 VanDerWaalsContact CG1-CG2 3.43Å; V260-L270 HydrophobicContact CG1-CB 4.46Å; V260-R271 WeakPolarHBondContact CA-O 3.41Å; V260-L272 HydrophobicContact CG2-CD1 3.82Å; V260-I329 HydrophobicContact CG1-CD1 3.78Å; V260-N347 HydrophobicContact CG2-CB 4.05Å; V260-A349 HydrophobicContact CB-CB 3.87Å; V260-A349 HydrophobicContact CG1-CB 3.47Å; V260-A349 VanDerWaalsContact CG1-CB 3.47Å
261Q91.9Very high89.9Confident65 Ų6559.7 Ų59.730%0.30429%0.29SS..EExtended strand (participates in β ladder)trans-153.5164.6175.954.5169.979.400110.3K259 L270 R271K259-Q261 VanDerWaalsContact CE-OE1 3.3Å; Q261-L270 CarbonylContact O-C 3.5Å; Q261-L270 WeakPolarHBondContact O-CA 3.45Å; Q261-R271 HydrophobicContact CG-CB 4.17Å; Q261-R271 PolarHBondContact N-O 3.35Å; Q261-R271 VanDerWaalsContact N-O 3.09Å; Q261-R271 PolarHBondContact O-N 3.46Å
262A90.6Very high89.8Confident23 Ų2356.5 Ų56.519%0.1928%0.276CS..EExtended strand (participates in β ladder)trans-60.1144.8166.700000111.5P264 L352A262-P264 WeakPolarHBondContact O-CD 2.96Å; A262-L352 HydrophobicContact CB-CD2 3.63Å; A262-L352 HydrophobicContact CB-CG 3.91Å
263E90.3Very high89.8Confident21 Ų2157.6 Ų57.610%0.09829%0.285CS..PPolyproline II helixtrans-77.3119.7173.9179.254.9-133.600109.8N265 R266 C269 R271E263-N265 PolarHBondContact O-N 2.99Å; E263-R266 HydrophobicContact CB-CB 4.16Å; E263-R266 HydrophobicContact CG-CB 3.68Å; E263-R266 HydrophobicContact CG-CG 3.84Å; E263-R266 PolarHBondContact O-N 3.02Å; E263-C269 HydrophobicContact CB-CB 3.8Å; E263-C269 HydrophobicContact CG-CB 4.35Å; E263-C269 PolarHBondContact N-O 3.29Å; E263-R271 VanDerWaalsContact CD-NH2 3.32Å; E263-R271 IonicContact OE1-CZ 2.93Å; E263-R271 IonicContact OE1-NE 2.7Å; E263-R271 IonicContact OE1-NH2 2.82Å; E263-R271 PolarHBondContact OE1-NH2 3.01Å; E263-R271 WeakPolarHBondContact OE2-CB 3.41Å; E263-R271 IonicContact OE2-CZ 3.45Å; E263-R271 IonicContact OE2-NE 2.8Å; E263-R271 PolarHBondContact OE2-NE 3.45Å; E263-R271 IonicContact OE2-NH2 2.61Å; E263-R271 PolarHBondContact OE2-NH2 2.89Å; E263-R271 VanDerWaalsContact OE2-NH2 3.14Å
264P85.5Confident89.7Confident67 Ų6756.3 Ų56.344%0.43528%0.277SS..THydrogen-bonded Turntrans-54.8132.8178.5-27.336.5000112.1A262 R266A262-P264 WeakPolarHBondContact O-CD 2.96Å; P264-R266 PolarHBondContact O-N 3.38Å
265N83.9Confident89.5Confident155 Ų15553.2 Ų53.283%0.82926%0.258SS*.THydrogen-bonded Turntrans60.35.1-179.6-54.6-26000116.4E263E263-N265 PolarHBondContact O-N 2.99Å
266R87.3Confident89.4Confident119 Ų11953.7 Ų53.745%0.44926%0.261SS..  trans-117.996.9173.9-54-167.774-175.5-0112.1E263 P264 C269 E317E263-R266 HydrophobicContact CB-CB 4.16Å; E263-R266 HydrophobicContact CG-CB 3.68Å; E263-R266 HydrophobicContact CG-CG 3.84Å; E263-R266 PolarHBondContact O-N 3.02Å; P264-R266 PolarHBondContact O-N 3.38Å; R266-C269 HydrophobicContact CB-CB 4.04Å; R266-C269 PolarHBondContact O-N 3.25Å; R266-E317 IonicContact CZ-OE1 2.71Å; R266-E317 IonicContact CZ-OE2 2.72Å; R266-E317 IonicContact NH1-OE1 3.73Å; R266-E317 PolarHBondContact NH1-OE1 2.99Å; R266-E317 IonicContact NH1-OE2 3.2Å; R266-E317 PolarHBondContact NH1-OE2 3.23Å
267Y87.3Confident89.3Confident128 Ų12849.2 Ų49.250%0.50224%0.243SC..THydrogen-bonded Turntrans-58.5138.5173-61.3-80.3000111.8C269 L352 E353 R354Y267-C269 VanDerWaalsContact C-N 3.29Å; Y267-C269 PolarHBondContact O-N 3.48Å; Y267-L352 HydrophobicContact CD1-CB 3.93Å; Y267-L352 HydrophobicContact CD1-CD1 4.32Å; Y267-L352 HydrophobicContact CE1-CB 4.28Å; Y267-L352 HydrophobicContact CE1-CD1 4.38Å; Y267-E353 VanDerWaalsContact CE1-O 3.29Å; Y267-E353 WeakPolarHBondContact CE1-O 3.41Å; Y267-R354 HydrophobicContact CD1-CB 4.17Å; Y267-R354 HydrophobicContact CE1-CB 4.49Å
268G87.1Confident89.1Confident4 Ų456.1 Ų56.14%0.04127%0.274CS..THydrogen-bonded Turntrans71.319.7-179.400000114.7C319 R320 L321G268-C319 CarbonylContact O-C 3.57Å; G268-C319 WeakPolarHBondContact O-CA 3.49Å; G268-R320 PolarHBondContact O-N 2.96Å; G268-R320 VanDerWaalsContact O-N 3.13Å; G268-L321 VanDerWaalsContact CA-O 3.3Å; G268-L321 WeakPolarHBondContact CA-O 3.15Å; G268-L321 PolarHBondContact O-N 3.35Å
269C91.4Very high88.9Confident7 Ų753.8 Ų53.85%0.04726%0.26CS..  trans-127.1145.1175.6-62.30000112.3E263 R266 Y267 V318 C319E263-C269 HydrophobicContact CB-CB 3.8Å; E263-C269 HydrophobicContact CG-CB 4.35Å; E263-C269 PolarHBondContact N-O 3.29Å; R266-C269 HydrophobicContact CB-CB 4.04Å; R266-C269 PolarHBondContact O-N 3.25Å; Y267-C269 VanDerWaalsContact C-N 3.29Å; Y267-C269 PolarHBondContact O-N 3.48Å; C269-V318 CarbonylContact C-O 3.59Å; C269-V318 VanDerWaalsContact CA-O 3.28Å; C269-V318 WeakPolarHBondContact CA-O 3.49Å; C269-C319 HydrophobicContact CB-CB 4.16Å; C269-C319 WeakPolarHBondContact CB-SG 3.44Å; C269-C319 WeakPolarHBondContact SG-CB 3.29Å; C269-C319 CovalentContact SG-SG 2.04Å; C269-C319 PolarHBondContact SG-SG 2.67Å
270L91.8Very high88.9Confident1 Ų148.3 Ų48.31%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-120.8139.4172.3-64.5176.4000110.1V260 Q261 E317 V318 L321 Y327 I329 A349 T351V260-L270 HydrophobicContact CG1-CB 4.46Å; Q261-L270 CarbonylContact O-C 3.5Å; Q261-L270 WeakPolarHBondContact O-CA 3.45Å; L270-E317 CarbonylContact O-C 3.57Å; L270-E317 WeakPolarHBondContact O-CA 3.12Å; L270-V318 PolarHBondContact N-O 2.87Å; L270-V318 PolarHBondContact O-N 2.99Å; L270-L321 HydrophobicContact CB-CD1 4.33Å; L270-L321 HydrophobicContact CD1-CD1 3.63Å; L270-L321 HydrophobicContact CG-CD1 3.76Å; L270-Y327 HydrophobicContact CD1-CD2 4.46Å; L270-I329 HydrophobicContact CD1-CD1 3.67Å; L270-A349 HydrophobicContact CD1-CB 4.11Å; L270-A349 HydrophobicContact CD2-CB 4.18Å; L270-T351 HydrophobicContact CD1-CG2 4.36Å; L270-T351 HydrophobicContact CD2-CG2 3.89Å; L270-T351 HydrophobicContact CG-CG2 3.96Å
271R91.5Very high88.5Confident96 Ų9649.6 Ų49.636%0.36225%0.249SC..EExtended strand (participates in β ladder)trans-94.2120.2172-170.2-179.5-71.1-162.4-3.1109.6V260 Q261 E263 P315 M316V260-R271 WeakPolarHBondContact CA-O 3.41Å; Q261-R271 HydrophobicContact CG-CB 4.17Å; Q261-R271 PolarHBondContact N-O 3.35Å; Q261-R271 VanDerWaalsContact N-O 3.09Å; Q261-R271 PolarHBondContact O-N 3.46Å; E263-R271 VanDerWaalsContact CD-NH2 3.32Å; E263-R271 IonicContact OE1-CZ 2.93Å; E263-R271 IonicContact OE1-NE 2.7Å; E263-R271 IonicContact OE1-NH2 2.82Å; E263-R271 PolarHBondContact OE1-NH2 3.01Å; E263-R271 WeakPolarHBondContact OE2-CB 3.41Å; E263-R271 IonicContact OE2-CZ 3.45Å; E263-R271 IonicContact OE2-NE 2.8Å; E263-R271 PolarHBondContact OE2-NE 3.45Å; E263-R271 IonicContact OE2-NH2 2.61Å; E263-R271 PolarHBondContact OE2-NH2 2.89Å; E263-R271 VanDerWaalsContact OE2-NH2 3.14Å; R271-P315 HydrophobicContact CG-CB 4.1Å; R271-M316 WeakPolarHBondContact CA-O 3.1Å
272L90.6Very high88.3Confident1 Ų151.2 Ų51.21%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-111.7108.2-178.417059.5000110.2V257 V260 V290 P315 M316 I329 I331V257-L272 HydrophobicContact CG1-CD1 3.8Å; V257-L272 HydrophobicContact CG2-CD1 4.31Å; V260-L272 HydrophobicContact CG2-CD1 3.82Å; L272-V290 HydrophobicContact CD2-CG1 4.28Å; L272-V290 HydrophobicContact CD2-CG2 4.35Å; L272-P315 CarbonylContact O-C 3.43Å; L272-P315 VanDerWaalsContact O-CA 3.28Å; L272-P315 WeakPolarHBondContact O-CA 3.41Å; L272-M316 HydrophobicContact CB-CG 3.98Å; L272-M316 HydrophobicContact CD2-CG 4.24Å; L272-M316 HydrophobicContact CD2-SD 4.1Å; L272-M316 HydrophobicContact CG-CG 4.26Å; L272-M316 PolarHBondContact N-O 2.59Å; L272-M316 PolarHBondContact O-N 3.02Å; L272-I329 HydrophobicContact CD2-CG2 4.41Å; L272-I331 HydrophobicContact CD2-CG2 3.78Å
273S90.3Very high88Confident30 Ų3050.5 Ų50.521%0.2125%0.246CC..EExtended strand (participates in β ladder)trans-92.4126.5168.7-61.80000109.7L258 K259 P315L258-S273 PolarHBondContact N-O 2.69Å; K259-S273 PolarHBondContact N-O 2.92Å; K259-S273 VanDerWaalsContact N-O 3.12Å; K259-S273 PolarHBondContact O-N 2.87Å; S273-P315 WeakPolarHBondContact OG-CG 3.46Å
274W90.1Very high87.4Confident5 Ų554.1 Ų54.12%0.01927%0.269CS..EExtended strand (participates in β ladder)trans-139.9163.4-175.966.9-80.7000110.5K256 L276 V286 L288 L310 Q313 R314 I331 V333K256-W274 CarbonylContact O-C 3.58Å; K256-W274 VanDerWaalsContact O-CA 3.3Å; K256-W274 WeakPolarHBondContact O-CA 3.34Å; W274-L276 HydrophobicContact CZ3-CD2 4.08Å; W274-L276 HydrophobicContact CZ3-CG 4.27Å; W274-V286 HydrophobicContact CH2-CG2 3.59Å; W274-V286 HydrophobicContact CZ3-CG2 4.13Å; W274-L288 HydrophobicContact CD2-CD1 4.32Å; W274-L288 HydrophobicContact CD2-CD2 4.25Å; W274-L288 HydrophobicContact CE3-CD1 4.33Å; W274-L288 HydrophobicContact CG-CD2 4.39Å; W274-L288 HydrophobicContact CZ2-CD2 4.44Å; W274-L310 HydrophobicContact CZ2-CB 4.26Å; W274-L310 HydrophobicContact CZ2-CD1 3.61Å; W274-Q313 HydrophobicContact CH2-CG 4.01Å; W274-Q313 HydrophobicContact CZ3-CG 4.13Å; W274-R314 PolarHBondContact NE1-O 2.92Å; W274-R314 VanDerWaalsContact NE1-O 3.16Å; W274-I331 HydrophobicContact CB-CD1 3.58Å; W274-I331 HydrophobicContact CG-CD1 4.24Å; W274-V333 HydrophobicContact CZ3-CG1 4.2Å
275G89Confident87.3Confident3 Ų352.5 Ų52.53%0.03126%0.258CS..EExtended strand (participates in β ladder)trans-153.8165.8172.400000112.2K256K256-G275 PolarHBondContact N-O 2.76Å; K256-G275 PolarHBondContact O-N 2.76Å
276L89.4Confident87.4Confident12 Ų1245.3 Ų45.36%0.06322%0.22CC..  trans-80.6173.9172-61.6178.4000111F252 W274 Q280 V283 V286 V333F252-L276 HydrophobicContact CE1-CD1 4.44Å; W274-L276 HydrophobicContact CZ3-CD2 4.08Å; W274-L276 HydrophobicContact CZ3-CG 4.27Å; L276-Q280 HydrophobicContact CB-CB 4.35Å; L276-Q280 WeakPolarHBondContact CD1-O 3.24Å; L276-V283 HydrophobicContact CD1-CB 4.13Å; L276-V286 HydrophobicContact CD1-CG1 4.48Å; L276-V333 HydrophobicContact CD2-CG1 4.25Å; L276-V333 HydrophobicContact CD2-CG2 3.89Å
277S87.8Confident87.4Confident17 Ų1740.8 Ų40.812%0.11921%0.205CC..  trans-55.9143.7163.5-174.50000110.7D253 Q279 Q280 A281D253-S277 WeakPolarHBondContact OD2-CB 3.19Å; D253-S277 PolarHBondContact OD2-OG 2.95Å; S277-Q279 PolarHBondContact O-N 2.92Å; S277-Q279 VanDerWaalsContact O-N 3.14Å; S277-Q280 CarbonylContact O-C 3.56Å; S277-Q280 WeakPolarHBondContact O-CA 3.43Å; S277-Q280 PolarHBondContact O-N 2.82Å; S277-A281 PolarHBondContact O-N 2.86Å
278E85.9Confident87.4Confident166 Ų16634.7 Ų34.778%0.77618%0.182SC*.THydrogen-bonded Turntrans-56.8-33.1-178-71.1166.6-151.900112.2Q280E278-Q280 PolarHBondContact O-N 3.33Å
279Q85.8Confident87.5Confident72 Ų7235.3 Ų35.334%0.33618%0.184SC..THydrogen-bonded Turntrans-69.4-22.9177.3-58.2-173.73.400113.2K167 S277 W282K167-Q279 HydrophobicContact CD-CB 4.36Å; K167-Q279 HydrophobicContact CG-CB 4.27Å; S277-Q279 PolarHBondContact O-N 2.92Å; S277-Q279 VanDerWaalsContact O-N 3.14Å; Q279-W282 VanDerWaalsContact O-CD1 3.23Å; Q279-W282 PolarHBondContact O-NE1 3.36Å
280Q88Confident87.4Confident0 Ų035 Ų350%018%0.181CC..THydrogen-bonded Turntrans-111.6-1.8-175.7-66.7168.34.100112.8L165 D253 L276 S277 E278 W282 V283L165-Q280 HydrophobicContact CB-CG 3.88Å; D253-Q280 PolarHBondContact OD1-NE2 3.26Å; L276-Q280 HydrophobicContact CB-CB 4.35Å; L276-Q280 WeakPolarHBondContact CD1-O 3.24Å; S277-Q280 CarbonylContact O-C 3.56Å; S277-Q280 WeakPolarHBondContact O-CA 3.43Å; S277-Q280 PolarHBondContact O-N 2.82Å; E278-Q280 PolarHBondContact O-N 3.33Å; Q280-W282 PolarHBondContact O-N 2.77Å; Q280-V283 PolarHBondContact O-N 2.87Å
281A84.3Confident87.2Confident49 Ų4937.6 Ų37.641%0.40519%0.191SC..THydrogen-bonded Turntrans-64.2-8.8-176.600000114.6S277 V283S277-A281 PolarHBondContact O-N 2.86Å; A281-V283 VanDerWaalsContact C-N 3.33Å
282W86Confident87.1Confident99 Ų9933.6 Ų33.638%0.37518%0.177SC..THydrogen-bonded Turntrans-73.9-20.4172.367-95.6000113.3L220 F221 M247 Q279 Q280 T284L220-W282 HydrophobicContact CD1-CH2 3.66Å; L220-W282 HydrophobicContact CD1-CZ2 3.75Å; F221-W282 AromaticContact CE2-CH2 3.91Å; F221-W282 HydrophobicContact CE2-CH2 3.91Å; F221-W282 AromaticContact CE2-CZ3 3.76Å; F221-W282 HydrophobicContact CE2-CZ3 3.76Å; F221-W282 AromaticContact CZ-CH2 3.94Å; F221-W282 HydrophobicContact CZ-CH2 3.94Å; F221-W282 AromaticContact CZ-CZ3 3.75Å; F221-W282 HydrophobicContact CZ-CZ3 3.75Å; M247-W282 HydrophobicContact CE-CH2 3.45Å; M247-W282 VanDerWaalsContact CE-CH2 3.45Å; M247-W282 HydrophobicContact CE-CZ2 3.98Å; M247-W282 HydrophobicContact CE-CZ3 4.38Å; Q279-W282 VanDerWaalsContact O-CD1 3.23Å; Q279-W282 PolarHBondContact O-NE1 3.36Å; Q280-W282 PolarHBondContact O-N 2.77Å; W282-T284 PolarHBondContact O-N 3.45Å
283V85.6Confident87Confident8 Ų836.1 Ų36.15%0.04819%0.188CC..  trans-75.4114.9176.5-176.70000109.6F252 L276 Q280 A281 V286 Y335F252-V283 HydrophobicContact CE1-CB 4.17Å; F252-V283 HydrophobicContact CE1-CG1 4.04Å; F252-V283 HydrophobicContact CE1-CG2 4Å; F252-V283 HydrophobicContact CZ-CG1 4.1Å; F252-V283 HydrophobicContact CZ-CG2 4.32Å; L276-V283 HydrophobicContact CD1-CB 4.13Å; Q280-V283 PolarHBondContact O-N 2.87Å; A281-V283 VanDerWaalsContact C-N 3.33Å; V283-V286 HydrophobicContact CG1-CG1 3.93Å; V283-Y335 HydrophobicContact CG1-CD2 4.32Å
284T76.8Confident86.8Confident98 Ų9836.6 Ų36.660%0.60119%0.189SC*.  trans-86.2-32.9-172.448.80000114.3W282 M311 R312W282-T284 PolarHBondContact O-N 3.45Å; T284-M311 CarbonylContact O-C 3.51Å; T284-R312 PolarHBondContact O-N 3.05Å
285T83.1Confident86.3Confident33 Ų3338.4 Ų38.420%0.20221%0.206CC..  trans-119.3113.7-172.2-58.50000110.8L310 M311 Y335T285-L310 WeakPolarHBondContact CA-O 3.37Å; T285-M311 HydrophobicContact CG2-SD 3.78Å; T285-M311 PolarHBondContact OG1-SD 2.98Å; T285-M311 VanDerWaalsContact OG1-SD 3.41Å; T285-Y335 WeakPolarHBondContact O-CD2 3.46Å
286V87.2Confident85.5Confident3 Ų346 Ų462%0.01825%0.245CC..EExtended strand (participates in β ladder)trans-135.5154.4173.7-660000111.2F252 W274 L276 V283 L310 V333F252-V286 HydrophobicContact CE1-CG1 4.27Å; F252-V286 HydrophobicContact CZ-CG1 4.48Å; W274-V286 HydrophobicContact CH2-CG2 3.59Å; W274-V286 HydrophobicContact CZ3-CG2 4.13Å; L276-V286 HydrophobicContact CD1-CG1 4.48Å; V283-V286 HydrophobicContact CG1-CG1 3.93Å; V286-L310 PolarHBondContact N-O 2.83Å; V286-L310 PolarHBondContact O-N 3.45Å; V286-V333 HydrophobicContact CB-CB 4.49Å; V286-V333 HydrophobicContact CG2-CG1 4.11Å
287T87.4Confident84.9Confident24 Ų2447.4 Ų47.415%0.14726%0.256CS..EExtended strand (participates in β ladder)trans-85.6134164.3-51.20000108V333 R334 W340T287-V333 VanDerWaalsContact O-CA 3.31Å; T287-V333 WeakPolarHBondContact O-CA 3.46Å; T287-R334 PolarHBondContact N-O 2.71Å; T287-R334 PolarHBondContact O-N 2.99Å; T287-W340 HydrophobicContact CG2-CH2 4.04Å
288L86.6Confident84.1Confident0 Ų056.6 Ų56.60%029%0.294CS..EExtended strand (participates in β ladder)trans-115.3141.8179.2-176.175.6000109.1W274 V307 L310 M316 I331 V333W274-L288 HydrophobicContact CD2-CD1 4.32Å; W274-L288 HydrophobicContact CD2-CD2 4.25Å; W274-L288 HydrophobicContact CE3-CD1 4.33Å; W274-L288 HydrophobicContact CG-CD2 4.39Å; W274-L288 HydrophobicContact CZ2-CD2 4.44Å; L288-V307 HydrophobicContact CB-CB 4.25Å; L288-V307 WeakPolarHBondContact O-CA 3.49Å; L288-V307 VanDerWaalsContact O-CB 3.29Å; L288-V307 WeakPolarHBondContact O-CB 3.48Å; L288-V307 PolarHBondContact O-N 3.09Å; L288-L310 HydrophobicContact CB-CD1 3.86Å; L288-L310 HydrophobicContact CD2-CD1 3.66Å; L288-L310 HydrophobicContact CG-CD1 4.41Å; L288-M316 HydrophobicContact CD2-SD 3.62Å; L288-I331 HydrophobicContact CD1-CB 4Å; L288-I331 HydrophobicContact CD1-CD1 4.22Å; L288-I331 HydrophobicContact CD1-CG2 4.23Å; L288-I331 HydrophobicContact CG-CG2 4.48Å; L288-V333 HydrophobicContact CD1-CG1 3.52Å
289E89.2Confident83.5Confident18 Ų1854.1 Ų54.18%0.08428%0.283CS..EExtended strand (participates in β ladder)trans-127.3133.5175.6-171.6-173.5147.700109.3P304 I331 R332 W340 W343E289-P304 HydrophobicContact CG-CB 3.7Å; E289-P304 WeakPolarHBondContact OE1-CB 3.49Å; E289-P304 VanDerWaalsContact OE1-CG 3.29Å; E289-P304 WeakPolarHBondContact OE1-CG 3.28Å; E289-I331 VanDerWaalsContact O-CA 3.28Å; E289-I331 WeakPolarHBondContact O-CA 3.28Å; E289-R332 HydrophobicContact CB-CG 4.01Å; E289-R332 VanDerWaalsContact CD-NE 3.31Å; E289-R332 PolarHBondContact N-O 2.7Å; E289-R332 PolarHBondContact O-N 2.81Å; E289-R332 VanDerWaalsContact O-N 3.11Å; E289-R332 IonicContact OE1-CZ 3.82Å; E289-R332 IonicContact OE1-NE 2.65Å; E289-R332 PolarHBondContact OE1-NE 3.2Å; E289-R332 IonicContact OE1-NH2 3.2Å; E289-R332 PolarHBondContact OE1-NH2 3.33Å; E289-R332 IonicContact OE2-CZ 2.76Å; E289-R332 IonicContact OE2-NE 3.68Å; E289-R332 PolarHBondContact OE2-NE 2.86Å; E289-R332 IonicContact OE2-NH2 2.67Å; E289-R332 PolarHBondContact OE2-NH2 3.5Å; E289-W340 HydrophobicContact CB-CH2 3.7Å; E289-W340 HydrophobicContact CB-CZ2 4.46Å; E289-W340 HydrophobicContact CB-CZ3 3.8Å; E289-W340 WeakPolarHBondContact OE2-CH2 3.09Å; E289-W340 WeakPolarHBondContact OE2-CZ2 3.35Å; E289-W343 HydrophobicContact CG-CH2 4.2Å
290V88.7Confident83Confident0 Ų053.8 Ų53.80%028%0.278CS..EExtended strand (participates in β ladder)trans-119.2125.6-176.1-165.50000109.7L272 L292 V305 V307 M316 V318 I329 I331L272-V290 HydrophobicContact CD2-CG1 4.28Å; L272-V290 HydrophobicContact CD2-CG2 4.35Å; V290-L292 HydrophobicContact CG1-CD1 3.92Å; V290-L292 HydrophobicContact CG1-CG 4.43Å; V290-V305 PolarHBondContact N-O 3.01Å; V290-V305 PolarHBondContact O-N 2.93Å; V290-V307 HydrophobicContact CG2-CG2 3.78Å; V290-M316 HydrophobicContact CG2-CE 4.16Å; V290-M316 HydrophobicContact CG2-SD 3.86Å; V290-V318 HydrophobicContact CG1-CG2 4.36Å; V290-I329 HydrophobicContact CG1-CG2 3.99Å; V290-I331 HydrophobicContact CB-CG2 4.18Å; V290-I331 HydrophobicContact CG1-CG2 3.98Å; V290-I331 HydrophobicContact CG2-CG2 3.85Å
291R88.8Confident81.8Confident56 Ų5656 Ų5621%0.21129%0.293CS..EExtended strand (participates in β ladder)trans-112.7144.6168.472.9177.3-176.2-165.1-0.7111.1W300 Q330 W343R291-W300 HydrophobicContact CB-CE3 4.2Å; R291-W300 HydrophobicContact CG-CD2 4.19Å; R291-W300 HydrophobicContact CG-CE3 3.65Å; R291-W300 HydrophobicContact CG-CZ3 3.91Å; R291-Q330 HydrophobicContact CG-CB 4.07Å; R291-Q330 PolarHBondContact N-O 3.19Å; R291-Q330 PolarHBondContact O-N 3.39Å; R291-Q330 VanDerWaalsContact O-N 3.12Å; R291-W343 HydrophobicContact CB-CH2 3.93Å; R291-W343 HydrophobicContact CB-CZ3 3.99Å; R291-W343 HydrophobicContact CG-CD2 4.49Å; R291-W343 HydrophobicContact CG-CE3 3.91Å; R291-W343 HydrophobicContact CG-CH2 3.82Å; R291-W343 HydrophobicContact CG-CZ2 4.38Å; R291-W343 HydrophobicContact CG-CZ3 3.55Å
292L88.8Confident80.4Confident12 Ų1261.5 Ų61.56%0.06331%0.311CS..EExtended strand (participates in β ladder)trans-131.9148.3-177.7-59.896.2000110.7V290 W300 S301 V305 V318 L321 Y327 H328 I329V290-L292 HydrophobicContact CG1-CD1 3.92Å; V290-L292 HydrophobicContact CG1-CG 4.43Å; L292-W300 VanDerWaalsContact C-CE3 3.48Å; L292-S301 PolarHBondContact N-OG 2.84Å; L292-S301 WeakPolarHBondContact O-CB 3.3Å; L292-S301 PolarHBondContact O-N 3.12Å; L292-S301 PolarHBondContact O-OG 3.12Å; L292-V305 HydrophobicContact CD1-CG2 4.47Å; L292-V318 HydrophobicContact CD1-CG1 3.99Å; L292-V318 HydrophobicContact CD2-CG1 4.02Å; L292-L321 HydrophobicContact CD2-CD1 4.03Å; L292-L321 HydrophobicContact CD2-CD2 3.98Å; L292-Y327 HydrophobicContact CB-CD1 4.19Å; L292-Y327 HydrophobicContact CD2-CD1 4.26Å; L292-H328 WeakPolarHBondContact CA-O 3.43Å; L292-I329 HydrophobicContact CD2-CD1 4.15Å; L292-I329 HydrophobicContact CD2-CG1 3.7Å; L292-I329 HydrophobicContact CG-CG1 3.98Å
293K88.4Confident79.2Confident54 Ų5464.9 Ų64.924%0.23533%0.331CS..EExtended strand (participates in β ladder)trans-137.4147.816365.7176.9-177.2164.30109.8W300 Y327 H328K293-W300 HydrophobicContact CB-CD2 4.19Å; K293-W300 HydrophobicContact CB-CE3 3.85Å; K293-W300 HydrophobicContact CB-CZ3 4.25Å; K293-W300 HydrophobicContact CD-CD2 4Å; K293-W300 HydrophobicContact CD-CE3 4.19Å; K293-W300 HydrophobicContact CD-CH2 4.12Å; K293-W300 HydrophobicContact CD-CZ2 3.93Å; K293-W300 HydrophobicContact CD-CZ3 4.26Å; K293-W300 HydrophobicContact CG-CD2 4.13Å; K293-W300 HydrophobicContact CG-CE3 3.81Å; K293-W300 HydrophobicContact CG-CH2 4.03Å; K293-W300 HydrophobicContact CG-CZ2 4.33Å; K293-W300 HydrophobicContact CG-CZ3 3.76Å; K293-Y327 CarbonylContact O-C 3.54Å; K293-Y327 VanDerWaalsContact O-CA 3.29Å; K293-Y327 WeakPolarHBondContact O-CA 3.12Å; K293-H328 HydrophobicContact CG-CB 3.78Å; K293-H328 PolarHBondContact N-O 2.92Å; K293-H328 PolarHBondContact O-N 3.14Å
294T86.6Confident78Confident39 Ų3966.7 Ų66.724%0.23934%0.342CS..EExtended strand (participates in β ladder)trans-71.7153.3167.453.70000109.6N296 S297 T325 E326 Y327T294-N296 PolarHBondContact O-N 3.11Å; T294-N296 VanDerWaalsContact O-N 3.15Å; T294-S297 PolarHBondContact O-N 3.26Å; T294-S297 WeakPolarHBondContact OG1-CB 3.47Å; T294-T325 HydrophobicContact CG2-CG2 3.71Å; T294-E326 WeakPolarHBondContact CA-O 3.44Å; T294-Y327 HydrophobicContact CG2-CD1 4.09Å; T294-Y327 HydrophobicContact CG2-CE1 3.52Å
295A78.5Confident77.5Confident44 Ų4465.2 Ų65.236%0.36433%0.333SS..THydrogen-bonded Turntrans-54.8-33.517800000113.3S297 E326A295-S297 VanDerWaalsContact C-N 3.34Å; A295-S297 PolarHBondContact O-N 3.16Å; A295-E326 HydrophobicContact CB-CB 4.18Å; A295-E326 HydrophobicContact CB-CG 4.28Å; A295-E326 PolarHBondContact N-O 2.98Å
296N72.4Confident76.2Confident162 Ų16268.8 Ų68.887%0.86636%0.357SS*.THydrogen-bonded Turntrans-81.5-7.6179.9-60.711000113.9T294T294-N296 PolarHBondContact O-N 3.11Å; T294-N296 VanDerWaalsContact O-N 3.15Å
297S76.5Confident75Confident41 Ų4169.7 Ų69.729%0.28736%0.363SS..  trans-96.2129-179.5-173.90000111.8T294 A295 Q299T294-S297 PolarHBondContact O-N 3.26Å; T294-S297 WeakPolarHBondContact OG1-CB 3.47Å; A295-S297 VanDerWaalsContact C-N 3.34Å; A295-S297 PolarHBondContact O-N 3.16Å; S297-Q299 VanDerWaalsContact C-N 3.33Å; S297-Q299 PolarHBondContact OG-N 3.11Å; S297-Q299 VanDerWaalsContact OG-N 3.14Å; S297-Q299 PolarHBondContact OG-O 3.22Å
298K70.8Confident73.7Confident211 Ų21177.2 Ų77.292%0.91740%0.396SS*.SBendtrans-73.6-27.8166.9-64.9-171.3178.5-175.50112
299Q73.3Confident72.3Confident114 Ų11484 Ų8453%0.53342%0.422SS..SBendtrans-95.9144.8-176.8-165.4177.9-26.500111.5S297 E302S297-Q299 VanDerWaalsContact C-N 3.33Å; S297-Q299 PolarHBondContact OG-N 3.11Å; S297-Q299 VanDerWaalsContact OG-N 3.14Å; S297-Q299 PolarHBondContact OG-O 3.22Å; Q299-E302 PolarHBondContact NE2-OE1 3.41Å
300W75.3Confident71.1Confident65 Ų6584.8 Ų84.825%0.24643%0.426CS..PPolyproline II helixtrans-79.1162.2170.7-67.295.1000111.5R291 L292 K293 E302 H328 Q330R291-W300 HydrophobicContact CB-CE3 4.2Å; R291-W300 HydrophobicContact CG-CD2 4.19Å; R291-W300 HydrophobicContact CG-CE3 3.65Å; R291-W300 HydrophobicContact CG-CZ3 3.91Å; L292-W300 VanDerWaalsContact C-CE3 3.48Å; K293-W300 HydrophobicContact CB-CD2 4.19Å; K293-W300 HydrophobicContact CB-CE3 3.85Å; K293-W300 HydrophobicContact CB-CZ3 4.25Å; K293-W300 HydrophobicContact CD-CD2 4Å; K293-W300 HydrophobicContact CD-CE3 4.19Å; K293-W300 HydrophobicContact CD-CH2 4.12Å; K293-W300 HydrophobicContact CD-CZ2 3.93Å; K293-W300 HydrophobicContact CD-CZ3 4.26Å; K293-W300 HydrophobicContact CG-CD2 4.13Å; K293-W300 HydrophobicContact CG-CE3 3.81Å; K293-W300 HydrophobicContact CG-CH2 4.03Å; K293-W300 HydrophobicContact CG-CZ2 4.33Å; K293-W300 HydrophobicContact CG-CZ3 3.76Å; W300-E302 PolarHBondContact O-N 2.82Å; W300-H328 HydrophobicContact CH2-CB 4.3Å; W300-Q330 HydrophobicContact CH2-CB 4.46Å; W300-Q330 HydrophobicContact CH2-CG 3.92Å; W300-Q330 VanDerWaalsContact CH2-OE1 3.29Å
301S62.5Low69.3Low45 Ų4591.5 Ų91.532%0.31546%0.459SS..PPolyproline II helixtrans-50.2120.6167.854.30000110.9L292 E303L292-S301 PolarHBondContact N-OG 2.84Å; L292-S301 WeakPolarHBondContact O-CB 3.3Å; L292-S301 PolarHBondContact O-N 3.12Å; L292-S301 PolarHBondContact O-OG 3.12Å; S301-E303 VanDerWaalsContact C-N 3.27Å; S301-E303 PolarHBondContact O-N 2.79Å
302E55.3Low68.1Low166 Ų16696.7 Ų96.778%0.77648%0.479SS*.SBendtrans-60.8-36.9-173.8-63.2-179.9149.100112.2Q299 W300Q299-E302 PolarHBondContact NE2-OE1 3.41Å; W300-E302 PolarHBondContact O-N 2.82Å
303E60.5Low67.1Low170 Ų17099.5 Ų99.579%0.79449%0.492SS*.SBendtrans-101.1115.3164.8-64.6-175.5165.300109.8S301S301-E303 VanDerWaalsContact C-N 3.27Å; S301-E303 PolarHBondContact O-N 2.79Å
304P61.9Low66.4Low45 Ų45104.5 Ų104.529%0.29251%0.509SS..  trans-63.5144.1163.5-19.533.2000110.2E289 P306E289-P304 HydrophobicContact CG-CB 3.7Å; E289-P304 WeakPolarHBondContact OE1-CB 3.49Å; E289-P304 VanDerWaalsContact OE1-CG 3.29Å; E289-P304 WeakPolarHBondContact OE1-CG 3.28Å; P304-P306 VanDerWaalsContact O-CD 3.23Å; P304-P306 WeakPolarHBondContact O-CD 3.31Å
305V65.3Low66.2Low68 Ų68106.2 Ų106.241%0.41252%0.521SS..EExtended strand (participates in β ladder)trans-78115.3-179.9-176.50000109.3V290 L292 V307V290-V305 PolarHBondContact N-O 3.01Å; V290-V305 PolarHBondContact O-N 2.93Å; L292-V305 HydrophobicContact CD1-CG2 4.47Å; V305-V307 PolarHBondContact O-N 2.61Å
306P56.1Low66.4Low108 Ų108105.4 Ų105.470%0.70151%0.51SS*.EExtended strand (participates in β ladder)trans-80.6116.6-179.931.9-31.8000109.9P304P304-P306 VanDerWaalsContact O-CD 3.23Å; P304-P306 WeakPolarHBondContact O-CD 3.31Å
307V62.7Low67.1Low22 Ų22102 Ų10213%0.13349%0.489CS..EExtended strand (participates in β ladder)trans-98.1111.9179.6-169.70000108.9L288 V290 V305 L310 M316L288-V307 HydrophobicContact CB-CB 4.25Å; L288-V307 WeakPolarHBondContact O-CA 3.49Å; L288-V307 VanDerWaalsContact O-CB 3.29Å; L288-V307 WeakPolarHBondContact O-CB 3.48Å; L288-V307 PolarHBondContact O-N 3.09Å; V290-V307 HydrophobicContact CG2-CG2 3.78Å; V305-V307 PolarHBondContact O-N 2.61Å; V307-L310 HydrophobicContact CG1-CD1 4.05Å; V307-L310 HydrophobicContact CG1-CD2 4.11Å; V307-L310 HydrophobicContact CG1-CG 4.09Å; V307-M316 HydrophobicContact CB-CE 4.48Å; V307-M316 HydrophobicContact CG1-CE 4.08Å; V307-M316 HydrophobicContact CG1-SD 4.3Å; V307-M316 HydrophobicContact CG2-CE 3.54Å; V307-M316 HydrophobicContact CG2-SD 3.96Å
308Q60Low67.7Low181 Ų181100.5 Ų100.585%0.84648%0.478SS*.EExtended strand (participates in β ladder)trans-59.8142.3-177.5-70.8177.6-32.300111.9L310Q308-L310 PolarHBondContact O-N 3.14Å; Q308-L310 VanDerWaalsContact O-N 3.15Å
309R57.8Low68.5Low144 Ų14492.3 Ų92.354%0.54345%0.447SS..EExtended strand (participates in β ladder)trans-15.2100.1-177.4-65.8179.4176.1-153.1-9.2114.5M311R309-M311 PolarHBondContact O-N 2.8Å
310L62.1Low69.1Low34 Ų3499 Ų9918%0.17847%0.467CS..EExtended strand (participates in β ladder)trans-83.2107.1176-67.7176.4000109.5W274 T285 V286 L288 V307 Q308 R312W274-L310 HydrophobicContact CZ2-CB 4.26Å; W274-L310 HydrophobicContact CZ2-CD1 3.61Å; T285-L310 WeakPolarHBondContact CA-O 3.37Å; V286-L310 PolarHBondContact N-O 2.83Å; V286-L310 PolarHBondContact O-N 3.45Å; L288-L310 HydrophobicContact CB-CD1 3.86Å; L288-L310 HydrophobicContact CD2-CD1 3.66Å; L288-L310 HydrophobicContact CG-CD1 4.41Å; V307-L310 HydrophobicContact CG1-CD1 4.05Å; V307-L310 HydrophobicContact CG1-CD2 4.11Å; V307-L310 HydrophobicContact CG1-CG 4.09Å; Q308-L310 PolarHBondContact O-N 3.14Å; Q308-L310 VanDerWaalsContact O-N 3.15Å; L310-R312 PolarHBondContact O-N 2.82Å; L310-R312 VanDerWaalsContact O-N 3.11Å
311M52.6Low69.8Low140 Ų14097.1 Ų97.169%0.6946%0.462SS*.SBendtrans-72.68.4178-58.7-77.7-83.700113.8T284 T285 R309T284-M311 CarbonylContact O-C 3.51Å; T285-M311 HydrophobicContact CG2-SD 3.78Å; T285-M311 PolarHBondContact OG1-SD 2.98Å; T285-M311 VanDerWaalsContact OG1-SD 3.41Å; R309-M311 PolarHBondContact O-N 2.8Å
312R62.7Low71Confident165 Ų16598.8 Ų98.862%0.62347%0.467SS*.SBendtrans-169.1148.2-178.5-153.2158.6177.6163.9-0.3110.5T284 L310 R314T284-R312 PolarHBondContact O-N 3.05Å; L310-R312 PolarHBondContact O-N 2.82Å; L310-R312 VanDerWaalsContact O-N 3.11Å; R312-R314 HydrophobicContact CB-CG 4.13Å; R312-R314 HydrophobicContact CG-CG 4.25Å; R312-R314 PolarHBondContact O-N 2.87Å
313Q67.3Low72.7Confident72 Ų7292.7 Ų92.734%0.33644%0.438SS..  trans-69.966.8167.4-61.1177.816.600111W274W274-Q313 HydrophobicContact CH2-CG 4.01Å; W274-Q313 HydrophobicContact CZ3-CG 4.13Å
314R74.4Confident74Confident159 Ų15985.5 Ų85.560%0.641%0.409SS*.  trans-96.7148.2176.1-83.1179.7172.2-179.1-1.2110.4W274 R312 M316W274-R314 PolarHBondContact NE1-O 2.92Å; W274-R314 VanDerWaalsContact NE1-O 3.16Å; R312-R314 HydrophobicContact CB-CG 4.13Å; R312-R314 HydrophobicContact CG-CG 4.25Å; R312-R314 PolarHBondContact O-N 2.87Å; R314-M316 PolarHBondContact O-N 2.83Å
315P81.4Confident75.3Confident75 Ų7585 Ų8549%0.48741%0.406SS..  trans-56.3133.8166.1-20.632.3000110.2R271 L272 S273R271-P315 HydrophobicContact CG-CB 4.1Å; L272-P315 CarbonylContact O-C 3.43Å; L272-P315 VanDerWaalsContact O-CA 3.28Å; L272-P315 WeakPolarHBondContact O-CA 3.41Å; S273-P315 WeakPolarHBondContact OG-CG 3.46Å
316M83.4Confident76.5Confident27 Ų2785.7 Ų85.713%0.13340%0.404CS..EExtended strand (participates in β ladder)trans-110.1161.7176.466.6164.2-64.200110.9R271 L272 L288 V290 V307 R314 V318R271-M316 WeakPolarHBondContact CA-O 3.1Å; L272-M316 HydrophobicContact CB-CG 3.98Å; L272-M316 HydrophobicContact CD2-CG 4.24Å; L272-M316 HydrophobicContact CD2-SD 4.1Å; L272-M316 HydrophobicContact CG-CG 4.26Å; L272-M316 PolarHBondContact N-O 2.59Å; L272-M316 PolarHBondContact O-N 3.02Å; L288-M316 HydrophobicContact CD2-SD 3.62Å; V290-M316 HydrophobicContact CG2-CE 4.16Å; V290-M316 HydrophobicContact CG2-SD 3.86Å; V307-M316 HydrophobicContact CB-CE 4.48Å; V307-M316 HydrophobicContact CG1-CE 4.08Å; V307-M316 HydrophobicContact CG1-SD 4.3Å; V307-M316 HydrophobicContact CG2-CE 3.54Å; V307-M316 HydrophobicContact CG2-SD 3.96Å; R314-M316 PolarHBondContact O-N 2.83Å; M316-V318 HydrophobicContact CE-CG2 3.64Å; M316-V318 HydrophobicContact SD-CG2 4.41Å
317E87.4Confident78.1Confident89 Ų8981.4 Ų81.442%0.41637%0.374SS..EExtended strand (participates in β ladder)trans-103.8137169.859.4175-147.900111.5R266 L270R266-E317 IonicContact CZ-OE1 2.71Å; R266-E317 IonicContact CZ-OE2 2.72Å; R266-E317 IonicContact NH1-OE1 3.73Å; R266-E317 PolarHBondContact NH1-OE1 2.99Å; R266-E317 IonicContact NH1-OE2 3.2Å; R266-E317 PolarHBondContact NH1-OE2 3.23Å; L270-E317 CarbonylContact O-C 3.57Å; L270-E317 WeakPolarHBondContact O-CA 3.12Å
318V88.6Confident79.5Confident10 Ų1082.7 Ų82.76%0.06138%0.379CS..EExtended strand (participates in β ladder)trans-116.1112.8171.1-176.60000107.2C269 L270 V290 L292 M316 L321C269-V318 CarbonylContact C-O 3.59Å; C269-V318 VanDerWaalsContact CA-O 3.28Å; C269-V318 WeakPolarHBondContact CA-O 3.49Å; L270-V318 PolarHBondContact N-O 2.87Å; L270-V318 PolarHBondContact O-N 2.99Å; V290-V318 HydrophobicContact CG1-CG2 4.36Å; L292-V318 HydrophobicContact CD1-CG1 3.99Å; L292-V318 HydrophobicContact CD2-CG1 4.02Å; M316-V318 HydrophobicContact CE-CG2 3.64Å; M316-V318 HydrophobicContact SD-CG2 4.41Å; V318-L321 HydrophobicContact CG1-CD1 4.26Å
319C87.7Confident80.9Confident40 Ų4074.1 Ų74.127%0.2734%0.339SS..  trans-117.9-179.9-171.2-73.10000112.5G268 C269 L321G268-C319 CarbonylContact O-C 3.57Å; G268-C319 WeakPolarHBondContact O-CA 3.49Å; C269-C319 HydrophobicContact CB-CB 4.16Å; C269-C319 WeakPolarHBondContact CB-SG 3.44Å; C269-C319 WeakPolarHBondContact SG-CB 3.29Å; C269-C319 CovalentContact SG-SG 2.04Å; C269-C319 PolarHBondContact SG-SG 2.67Å; C319-L321 VanDerWaalsContact C-N 3.29Å
320R86.4Confident82.6Confident254 Ų25468.6 Ų68.696%0.95832%0.319SS*.SBendtrans69.422-174-51.3177.9177.2171-1.3113.8G268G268-R320 PolarHBondContact O-N 2.96Å; G268-R320 VanDerWaalsContact O-N 3.13Å
321L88.8Confident83.9Confident25 Ų2567 Ų6713%0.13131%0.311CS..PPolyproline II helixtrans-85156.8177.5-55.7178.4000111.4G268 L270 L292 V318 C319 Y327 T351G268-L321 VanDerWaalsContact CA-O 3.3Å; G268-L321 WeakPolarHBondContact CA-O 3.15Å; G268-L321 PolarHBondContact O-N 3.35Å; L270-L321 HydrophobicContact CB-CD1 4.33Å; L270-L321 HydrophobicContact CD1-CD1 3.63Å; L270-L321 HydrophobicContact CG-CD1 3.76Å; L292-L321 HydrophobicContact CD2-CD1 4.03Å; L292-L321 HydrophobicContact CD2-CD2 3.98Å; V318-L321 HydrophobicContact CG1-CD1 4.26Å; C319-L321 VanDerWaalsContact C-N 3.29Å; L321-Y327 HydrophobicContact CB-CE2 3.82Å; L321-Y327 HydrophobicContact CD1-CD2 4.39Å; L321-Y327 HydrophobicContact CD1-CE2 4.4Å; L321-Y327 HydrophobicContact CD2-CE1 4.09Å; L321-Y327 HydrophobicContact CG-CE2 4.46Å; L321-T351 HydrophobicContact CB-CG2 3.89Å; L321-T351 HydrophobicContact CD1-CG2 4.22Å
322L88.4Confident85.8Confident80 Ų8063 Ų6342%0.41929%0.288SS..PPolyproline II helixtrans-67.9140.9174.9-61.4175.7000110.2T325 Y327 T351L322-T325 HydrophobicContact CB-CG2 4.31Å; L322-T325 WeakPolarHBondContact CB-OG1 3.46Å; L322-T325 WeakPolarHBondContact O-CB 3.4Å; L322-Y327 WeakPolarHBondContact CB-OH 3.46Å; L322-Y327 PolarHBondContact N-OH 2.87Å; L322-T351 WeakPolarHBondContact O-CG2 3.19Å; L322-T351 PolarHBondContact O-OG1 3.09Å
323H90.9Very high87.1Confident39 Ų3955.1 Ų55.118%0.18126%0.258CS..THydrogen-bonded Turntrans-70151.5179.7-44.9104.2000112.5T325 R354 N390H323-T325 PolarHBondContact O-N 2.93Å; H323-T325 PolarHBondContact O-OG1 3.15Å; H323-R354 HydrophobicContact CB-CB 4.05Å; H323-N390 HydrophobicContact CB-CB 3.83Å; H323-N390 PolarHBondContact ND1-OD1 3.15Å; H323-N390 CarbonylContact O-C 3.57Å
324G88.6Confident88.2Confident18 Ų1854.2 Ų54.219%0.18625%0.252CS..THydrogen-bonded Turntrans50.925.7178.700000114.9T351 L352 N390G324-T351 WeakPolarHBondContact CA-O 3.42Å; G324-T351 PolarHBondContact N-O 2.85Å; G324-T351 PolarHBondContact N-OG1 3.39Å; G324-L352 PolarHBondContact N-O 2.79Å; G324-N390 WeakPolarHBondContact CA-O 3.4Å; G324-N390 PolarHBondContact N-O 2.85Å
325T88.9Confident88.8Confident36 Ų3648.4 Ų48.422%0.22123%0.23CC..  trans-111.2137.6-171.9-60.50000110.2T294 L322 H323 Y327 V350 T351T294-T325 HydrophobicContact CG2-CG2 3.71Å; L322-T325 HydrophobicContact CB-CG2 4.31Å; L322-T325 WeakPolarHBondContact CB-OG1 3.46Å; L322-T325 WeakPolarHBondContact O-CB 3.4Å; H323-T325 PolarHBondContact O-N 2.93Å; H323-T325 PolarHBondContact O-OG1 3.15Å; T325-Y327 HydrophobicContact CG2-CD2 4.27Å; T325-Y327 HydrophobicContact CG2-CE2 3.71Å; T325-Y327 WeakPolarHBondContact O-CD2 3.48Å; T325-V350 WeakPolarHBondContact O-CA 3.29Å; T325-T351 PolarHBondContact N-OG1 3.5Å; T325-T351 PolarHBondContact O-N 3.31Å; T325-T351 PolarHBondContact O-OG1 3.48Å
326E91Very high89Confident81 Ų8147.6 Ų47.638%0.37922%0.22SC..EExtended strand (participates in β ladder)trans-83.5129.6174.2-174.8174.7-154.800111.4T294 A295 T348 V350T294-E326 WeakPolarHBondContact CA-O 3.44Å; A295-E326 HydrophobicContact CB-CB 4.18Å; A295-E326 HydrophobicContact CB-CG 4.28Å; A295-E326 PolarHBondContact N-O 2.98Å; E326-T348 WeakPolarHBondContact OE1-CB 3.42Å; E326-V350 HydrophobicContact CB-CG2 4.06Å; E326-V350 HydrophobicContact CG-CG2 4.2Å
327Y90.1Very high89.1Confident18 Ų1853 Ų537%0.07125%0.245CC..EExtended strand (participates in β ladder)trans-118.9135.4177.1-73.3-87.4000111.3L270 L292 K293 T294 L321 L322 T325 T348 A349 T351L270-Y327 HydrophobicContact CD1-CD2 4.46Å; L292-Y327 HydrophobicContact CB-CD1 4.19Å; L292-Y327 HydrophobicContact CD2-CD1 4.26Å; K293-Y327 CarbonylContact O-C 3.54Å; K293-Y327 VanDerWaalsContact O-CA 3.29Å; K293-Y327 WeakPolarHBondContact O-CA 3.12Å; T294-Y327 HydrophobicContact CG2-CD1 4.09Å; T294-Y327 HydrophobicContact CG2-CE1 3.52Å; L321-Y327 HydrophobicContact CB-CE2 3.82Å; L321-Y327 HydrophobicContact CD1-CD2 4.39Å; L321-Y327 HydrophobicContact CD1-CE2 4.4Å; L321-Y327 HydrophobicContact CD2-CE1 4.09Å; L321-Y327 HydrophobicContact CG-CE2 4.46Å; L322-Y327 WeakPolarHBondContact CB-OH 3.46Å; L322-Y327 PolarHBondContact N-OH 2.87Å; T325-Y327 HydrophobicContact CG2-CD2 4.27Å; T325-Y327 HydrophobicContact CG2-CE2 3.71Å; T325-Y327 WeakPolarHBondContact O-CD2 3.48Å; Y327-T348 CarbonylContact O-C 3.48Å; Y327-T348 VanDerWaalsContact O-CA 3.3Å; Y327-T348 WeakPolarHBondContact O-CA 3.4Å; Y327-A349 PolarHBondContact N-O 3.22Å; Y327-A349 PolarHBondContact O-N 2.95Å; Y327-T351 HydrophobicContact CD2-CG2 4.13Å; Y327-T351 HydrophobicContact CE2-CG2 4.02Å
328H91Very high89.3Confident49 Ų4948.9 Ų48.923%0.22723%0.226CC..EExtended strand (participates in β ladder)trans-90.2134160.9-67.556.9000108.5L292 K293 W300 N347L292-H328 WeakPolarHBondContact CA-O 3.43Å; K293-H328 HydrophobicContact CG-CB 3.78Å; K293-H328 PolarHBondContact N-O 2.92Å; K293-H328 PolarHBondContact O-N 3.14Å; W300-H328 HydrophobicContact CH2-CB 4.3Å; H328-N347 WeakPolarHBondContact CA-O 3.3Å
329I90.1Very high89.5Confident2 Ų251 Ų511%0.0124%0.24CC..EExtended strand (participates in β ladder)trans-128.4135.8-172.6-67.1157000109.7V260 L270 L272 V290 L292 S346 N347 A349V260-I329 HydrophobicContact CG1-CD1 3.78Å; L270-I329 HydrophobicContact CD1-CD1 3.67Å; L272-I329 HydrophobicContact CD2-CG2 4.41Å; V290-I329 HydrophobicContact CG1-CG2 3.99Å; L292-I329 HydrophobicContact CD2-CD1 4.15Å; L292-I329 HydrophobicContact CD2-CG1 3.7Å; L292-I329 HydrophobicContact CG-CG1 3.98Å; I329-S346 WeakPolarHBondContact O-CA 3.28Å; I329-N347 PolarHBondContact N-O 2.81Å; I329-N347 PolarHBondContact O-N 2.87Å; I329-N347 VanDerWaalsContact O-N 3.09Å; I329-A349 HydrophobicContact CD1-CB 4.49Å
330Q91.9Very high89.7Confident27 Ų2752.3 Ų52.313%0.12624%0.239CC..EExtended strand (participates in β ladder)trans-133.3151168.5-70.5-178.4-64.300110.5R291 W300 W343 S344R291-Q330 HydrophobicContact CG-CB 4.07Å; R291-Q330 PolarHBondContact N-O 3.19Å; R291-Q330 PolarHBondContact O-N 3.39Å; R291-Q330 VanDerWaalsContact O-N 3.12Å; W300-Q330 HydrophobicContact CH2-CB 4.46Å; W300-Q330 HydrophobicContact CH2-CG 3.92Å; W300-Q330 VanDerWaalsContact CH2-OE1 3.29Å; Q330-W343 HydrophobicContact CB-CB 4.46Å; Q330-W343 HydrophobicContact CB-CE3 3.93Å; Q330-S344 WeakPolarHBondContact CA-OG 3.45Å; Q330-S344 WeakPolarHBondContact CG-O 3.48Å; Q330-S344 PolarHBondContact NE2-O 3.42Å
331I90.4Very high90.1Very high0 Ų040.3 Ų40.30%019%0.194CC..EExtended strand (participates in β ladder)trans-129.7153.3178.245.9165.5000112.5P255 V257 L272 W274 L288 E289 V290 S344P255-I331 HydrophobicContact CB-CD1 4.03Å; P255-I331 HydrophobicContact CG-CB 4.41Å; P255-I331 HydrophobicContact CG-CD1 3.99Å; P255-I331 HydrophobicContact CG-CG1 3.95Å; V257-I331 HydrophobicContact CG2-CD1 3.76Å; V257-I331 HydrophobicContact CG2-CG1 3.71Å; L272-I331 HydrophobicContact CD2-CG2 3.78Å; W274-I331 HydrophobicContact CB-CD1 3.58Å; W274-I331 HydrophobicContact CG-CD1 4.24Å; L288-I331 HydrophobicContact CD1-CB 4Å; L288-I331 HydrophobicContact CD1-CD1 4.22Å; L288-I331 HydrophobicContact CD1-CG2 4.23Å; L288-I331 HydrophobicContact CG-CG2 4.48Å; E289-I331 VanDerWaalsContact O-CA 3.28Å; E289-I331 WeakPolarHBondContact O-CA 3.28Å; V290-I331 HydrophobicContact CB-CG2 4.18Å; V290-I331 HydrophobicContact CG1-CG2 3.98Å; V290-I331 HydrophobicContact CG2-CG2 3.85Å; I331-S344 PolarHBondContact N-OG 3.21Å; I331-S344 WeakPolarHBondContact O-CB 3.29Å; I331-S344 PolarHBondContact O-N 2.86Å
332R91.9Very high90.3Very high56 Ų5644.2 Ų44.221%0.21121%0.212CC..EExtended strand (participates in β ladder)trans-139.3158.1168.164176.9-175.7-170.9-9110.9E289 W340 S341 W343E289-R332 HydrophobicContact CB-CG 4.01Å; E289-R332 VanDerWaalsContact CD-NE 3.31Å; E289-R332 PolarHBondContact N-O 2.7Å; E289-R332 PolarHBondContact O-N 2.81Å; E289-R332 VanDerWaalsContact O-N 3.11Å; E289-R332 IonicContact OE1-CZ 3.82Å; E289-R332 IonicContact OE1-NE 2.65Å; E289-R332 PolarHBondContact OE1-NE 3.2Å; E289-R332 IonicContact OE1-NH2 3.2Å; E289-R332 PolarHBondContact OE1-NH2 3.33Å; E289-R332 IonicContact OE2-CZ 2.76Å; E289-R332 IonicContact OE2-NE 3.68Å; E289-R332 PolarHBondContact OE2-NE 2.86Å; E289-R332 IonicContact OE2-NH2 2.67Å; E289-R332 PolarHBondContact OE2-NH2 3.5Å; R332-W340 HydrophobicContact CB-CE3 4.4Å; R332-W340 HydrophobicContact CG-CD2 4.29Å; R332-W340 HydrophobicContact CG-CE3 3.69Å; R332-W340 HydrophobicContact CG-CZ3 4.13Å; R332-S341 WeakPolarHBondContact CA-OG 3.41Å; R332-S341 WeakPolarHBondContact CB-OG 3.23Å; R332-W343 HydrophobicContact CB-CD2 4.26Å; R332-W343 HydrophobicContact CB-CE3 4.05Å; R332-W343 HydrophobicContact CB-CZ3 4.32Å; R332-W343 HydrophobicContact CG-CD2 4.2Å; R332-W343 HydrophobicContact CG-CE3 3.96Å; R332-W343 HydrophobicContact CG-CH2 3.85Å; R332-W343 HydrophobicContact CG-CZ2 4.08Å; R332-W343 HydrophobicContact CG-CZ3 3.78Å
333V90.6Very high90.5Very high0 Ų042.7 Ų42.70%020%0.201CC..EExtended strand (participates in β ladder)trans-126.8156.2-177.5-70.70000112.5F252 P255 W274 L276 V286 T287 L288 W340 S341F252-V333 HydrophobicContact CB-CG2 3.85Å; F252-V333 HydrophobicContact CG-CG2 4.28Å; P255-V333 HydrophobicContact CB-CG1 4.18Å; P255-V333 HydrophobicContact CB-CG2 4.38Å; P255-V333 HydrophobicContact CG-CG1 4.17Å; P255-V333 HydrophobicContact CG-CG2 4.27Å; W274-V333 HydrophobicContact CZ3-CG1 4.2Å; L276-V333 HydrophobicContact CD2-CG1 4.25Å; L276-V333 HydrophobicContact CD2-CG2 3.89Å; V286-V333 HydrophobicContact CB-CB 4.49Å; V286-V333 HydrophobicContact CG2-CG1 4.11Å; T287-V333 VanDerWaalsContact O-CA 3.31Å; T287-V333 WeakPolarHBondContact O-CA 3.46Å; L288-V333 HydrophobicContact CD1-CG1 3.52Å; V333-W340 VanDerWaalsContact C-CE3 3.47Å; V333-S341 PolarHBondContact N-OG 3.15Å; V333-S341 PolarHBondContact O-N 3.42Å
334R90.2Very high90.6Very high53 Ų5340.9 Ų40.920%0.219%0.193CC..EExtended strand (participates in β ladder)trans-148.3153.1161.665.4176.1175.9142.410.7111.8T287 Q337 S338 W340T287-R334 PolarHBondContact N-O 2.71Å; T287-R334 PolarHBondContact O-N 2.99Å; R334-Q337 PolarHBondContact NH1-O 3.26Å; R334-S338 WeakPolarHBondContact CB-O 3.49Å; R334-S338 WeakPolarHBondContact CD-O 3.47Å; R334-W340 HydrophobicContact CB-CD2 4.16Å; R334-W340 HydrophobicContact CB-CE3 3.88Å; R334-W340 HydrophobicContact CB-CZ3 4.27Å; R334-W340 HydrophobicContact CG-CD2 3.92Å; R334-W340 HydrophobicContact CG-CE3 3.73Å; R334-W340 HydrophobicContact CG-CH2 3.89Å; R334-W340 HydrophobicContact CG-CZ2 4.07Å; R334-W340 HydrophobicContact CG-CZ3 3.72Å
335Y88.3Confident90.7Very high38 Ų3846.9 Ų46.915%0.14922%0.22CC..SBendtrans-85.3123.7167-179.3-92.9000110.1M247 E248 V283 T285 Q337 S338M247-Y335 HydrophobicContact CB-CD1 4.48Å; M247-Y335 HydrophobicContact CB-CE1 4.39Å; M247-Y335 HydrophobicContact CG-CD1 3.44Å; M247-Y335 VanDerWaalsContact CG-CD1 3.44Å; M247-Y335 HydrophobicContact CG-CD2 4.13Å; M247-Y335 HydrophobicContact CG-CE1 3.54Å; M247-Y335 HydrophobicContact CG-CE2 4.24Å; M247-Y335 HydrophobicContact CG-CG 3.74Å; M247-Y335 HydrophobicContact SD-CD1 4.36Å; M247-Y335 HydrophobicContact SD-CD2 4.39Å; M247-Y335 HydrophobicContact SD-CG 4.09Å; E248-Y335 HydrophobicContact CG-CE1 4.48Å; V283-Y335 HydrophobicContact CG1-CD2 4.32Å; T285-Y335 WeakPolarHBondContact O-CD2 3.46Å; Y335-Q337 PolarHBondContact O-N 2.92Å; Y335-S338 WeakPolarHBondContact CA-OG 3.32Å; Y335-S338 PolarHBondContact N-OG 2.87Å; Y335-S338 VanDerWaalsContact O-CB 3.24Å; Y335-S338 WeakPolarHBondContact O-CB 3.41Å; Y335-S338 PolarHBondContact O-N 3.33Å; Y335-S338 PolarHBondContact O-OG 3.15Å
336Q84.6Confident90.7Very high57 Ų5747.8 Ų47.827%0.26623%0.228SC..THydrogen-bonded Turntrans43.3-107.4-179.2-59.5-151.191.300114.1E248E248-Q336 PolarHBondContact OE1-NE2 3.3Å
337Q85.4Confident90.6Very high141 Ų14146.6 Ų46.666%0.65922%0.224SC*.THydrogen-bonded Turntrans-100.7-1.1178.9-63.8-6714.900115.4R334 Y335R334-Q337 PolarHBondContact NH1-O 3.26Å; Y335-Q337 PolarHBondContact O-N 2.92Å
338S91.1Very high90.7Very high3 Ų349.2 Ų49.22%0.02124%0.242CC..SBendtrans-56.2162.3-17762.10000115.1E248 A250 R334 Y335 W340E248-S338 WeakPolarHBondContact O-CA 3.29Å; E248-S338 WeakPolarHBondContact O-CB 3.49Å; A250-S338 WeakPolarHBondContact O-CB 3.43Å; R334-S338 WeakPolarHBondContact CB-O 3.49Å; R334-S338 WeakPolarHBondContact CD-O 3.47Å; Y335-S338 WeakPolarHBondContact CA-OG 3.32Å; Y335-S338 PolarHBondContact N-OG 2.87Å; Y335-S338 VanDerWaalsContact O-CB 3.24Å; Y335-S338 WeakPolarHBondContact O-CB 3.41Å; Y335-S338 PolarHBondContact O-N 3.33Å; Y335-S338 PolarHBondContact O-OG 3.15Å; S338-W340 PolarHBondContact O-N 3.04Å
339P92.6Very high90.6Very high55 Ų5547.3 Ų47.336%0.35724%0.235SC..PPolyproline II helixtrans-55.5136.4175-26.336.6000112.5L162L162-P339 HydrophobicContact CD1-CG 3.96Å
340W92.6Very high90.7Very high66 Ų6651 Ų5125%0.2526%0.257CS..PPolyproline II helixtrans-60.9143.6174.8-71.2105.8000112.2K251 T287 E289 R332 V333 R334 S338K251-W340 WeakPolarHBondContact CE-O 3.17Å; T287-W340 HydrophobicContact CG2-CH2 4.04Å; E289-W340 HydrophobicContact CB-CH2 3.7Å; E289-W340 HydrophobicContact CB-CZ2 4.46Å; E289-W340 HydrophobicContact CB-CZ3 3.8Å; E289-W340 WeakPolarHBondContact OE2-CH2 3.09Å; E289-W340 WeakPolarHBondContact OE2-CZ2 3.35Å; R332-W340 HydrophobicContact CB-CE3 4.4Å; R332-W340 HydrophobicContact CG-CD2 4.29Å; R332-W340 HydrophobicContact CG-CE3 3.69Å; R332-W340 HydrophobicContact CG-CZ3 4.13Å; V333-W340 VanDerWaalsContact C-CE3 3.47Å; R334-W340 HydrophobicContact CB-CD2 4.16Å; R334-W340 HydrophobicContact CB-CE3 3.88Å; R334-W340 HydrophobicContact CB-CZ3 4.27Å; R334-W340 HydrophobicContact CG-CD2 3.92Å; R334-W340 HydrophobicContact CG-CE3 3.73Å; R334-W340 HydrophobicContact CG-CH2 3.89Å; R334-W340 HydrophobicContact CG-CZ2 4.07Å; R334-W340 HydrophobicContact CG-CZ3 3.72Å; S338-W340 PolarHBondContact O-N 3.04Å
341S94Very high90.7Very high3 Ų349.8 Ų49.82%0.02125%0.252CS..PPolyproline II helixtrans-59161.2161.676.80000110.6F252 P255 R332 V333F252-S341 WeakPolarHBondContact O-CB 3.25Å; P255-S341 WeakPolarHBondContact CD-OG 3.39Å; R332-S341 WeakPolarHBondContact CA-OG 3.41Å; R332-S341 WeakPolarHBondContact CB-OG 3.23Å; V333-S341 PolarHBondContact N-OG 3.15Å; V333-S341 PolarHBondContact O-N 3.42Å
342E93.9Very high90.7Very high106 Ų10652.5 Ų52.550%0.49527%0.266SS..PPolyproline II helixtrans-62.8161.8160.3-56.9-53.2144.200110.5K251 P254K251-E342 WeakPolarHBondContact CE-OE1 3.46Å; K251-E342 IonicContact NZ-OE1 2.73Å; K251-E342 PolarHBondContact NZ-OE1 3.35Å; P254-E342 HydrophobicContact CG-CB 4.23Å
343W93.1Very high90.7Very high48 Ų4852.5 Ų52.518%0.18227%0.269CS..PPolyproline II helixtrans-68.3142.5176.1-67.194.7000111.4E289 R291 Q330 R332E289-W343 HydrophobicContact CG-CH2 4.2Å; R291-W343 HydrophobicContact CB-CH2 3.93Å; R291-W343 HydrophobicContact CB-CZ3 3.99Å; R291-W343 HydrophobicContact CG-CD2 4.49Å; R291-W343 HydrophobicContact CG-CE3 3.91Å; R291-W343 HydrophobicContact CG-CH2 3.82Å; R291-W343 HydrophobicContact CG-CZ2 4.38Å; R291-W343 HydrophobicContact CG-CZ3 3.55Å; Q330-W343 HydrophobicContact CB-CB 4.46Å; Q330-W343 HydrophobicContact CB-CE3 3.93Å; R332-W343 HydrophobicContact CB-CD2 4.26Å; R332-W343 HydrophobicContact CB-CE3 4.05Å; R332-W343 HydrophobicContact CB-CZ3 4.32Å; R332-W343 HydrophobicContact CG-CD2 4.2Å; R332-W343 HydrophobicContact CG-CE3 3.96Å; R332-W343 HydrophobicContact CG-CH2 3.85Å; R332-W343 HydrophobicContact CG-CZ2 4.08Å; R332-W343 HydrophobicContact CG-CZ3 3.78Å
344S93.6Very high90.7Very high2 Ų258.7 Ų58.71%0.01429%0.292CS..PPolyproline II helixtrans-58165.4171.871.70000112.4P255 Q330 I331P255-S344 WeakPolarHBondContact O-CB 3.35Å; Q330-S344 WeakPolarHBondContact CA-OG 3.45Å; Q330-S344 WeakPolarHBondContact CG-O 3.48Å; Q330-S344 PolarHBondContact NE2-O 3.42Å; I331-S344 PolarHBondContact N-OG 3.21Å; I331-S344 WeakPolarHBondContact O-CB 3.29Å; I331-S344 PolarHBondContact O-N 2.86Å
345N90.4Very high90.8Very high143 Ų14357.7 Ų57.777%0.76530%0.295SS*.PPolyproline II helixtrans-52.4149.8159.5-68.8-12.3000110.5
346S87.7Confident91Very high55 Ų5556 Ų5639%0.38529%0.289SS..PPolyproline II helixtrans-82.9123.8179176.80000110.6I329I329-S346 WeakPolarHBondContact O-CA 3.28Å
347N89.6Confident91.3Very high56 Ų5655.6 Ų55.630%0.29929%0.292SS..EExtended strand (participates in β ladder)trans-109.4142.6173.5-72.775.1000110.3V257 V260 H328 I329V257-N347 WeakPolarHBondContact CB-OD1 3.45Å; V257-N347 HydrophobicContact CG1-CB 3.98Å; V260-N347 HydrophobicContact CG2-CB 4.05Å; H328-N347 WeakPolarHBondContact CA-O 3.3Å; I329-N347 PolarHBondContact N-O 2.81Å; I329-N347 PolarHBondContact O-N 2.87Å; I329-N347 VanDerWaalsContact O-N 3.09Å
348T91.3Very high91.5Very high73 Ų7350 Ų5045%0.44827%0.272SS..EExtended strand (participates in β ladder)trans-95.9147.4173.952.50000112E326 Y327E326-T348 WeakPolarHBondContact OE1-CB 3.42Å; Y327-T348 CarbonylContact O-C 3.48Å; Y327-T348 VanDerWaalsContact O-CA 3.3Å; Y327-T348 WeakPolarHBondContact O-CA 3.4Å
349A90.1Very high91.4Very high10 Ų1058.3 Ų58.38%0.08330%0.303CS..EExtended strand (participates in β ladder)trans-154.4148.9170.100000111.5V260 L270 Y327 I329V260-A349 HydrophobicContact CB-CB 3.87Å; V260-A349 HydrophobicContact CG1-CB 3.47Å; V260-A349 VanDerWaalsContact CG1-CB 3.47Å; L270-A349 HydrophobicContact CD1-CB 4.11Å; L270-A349 HydrophobicContact CD2-CB 4.18Å; Y327-A349 PolarHBondContact N-O 3.22Å; Y327-A349 PolarHBondContact O-N 2.95Å; I329-A349 HydrophobicContact CD1-CB 4.49Å
350V91.3Very high91.4Very high78 Ų7856 Ų5647%0.47329%0.288SS..EExtended strand (participates in β ladder)trans-109.5128.9177.2-170.80000109.3T325 E326T325-V350 WeakPolarHBondContact O-CA 3.29Å; E326-V350 HydrophobicContact CB-CG2 4.06Å; E326-V350 HydrophobicContact CG-CG2 4.2Å
351T92Very high91.3Very high3 Ų355.6 Ų55.62%0.01829%0.291CS..PPolyproline II helixtrans-68154.3171.8560000111.2L270 L321 L322 G324 T325 Y327 E353L270-T351 HydrophobicContact CD1-CG2 4.36Å; L270-T351 HydrophobicContact CD2-CG2 3.89Å; L270-T351 HydrophobicContact CG-CG2 3.96Å; L321-T351 HydrophobicContact CB-CG2 3.89Å; L321-T351 HydrophobicContact CD1-CG2 4.22Å; L322-T351 WeakPolarHBondContact O-CG2 3.19Å; L322-T351 PolarHBondContact O-OG1 3.09Å; G324-T351 WeakPolarHBondContact CA-O 3.42Å; G324-T351 PolarHBondContact N-O 2.85Å; G324-T351 PolarHBondContact N-OG1 3.39Å; T325-T351 PolarHBondContact N-OG1 3.5Å; T325-T351 PolarHBondContact O-N 3.31Å; T325-T351 PolarHBondContact O-OG1 3.48Å; Y327-T351 HydrophobicContact CD2-CG2 4.13Å; Y327-T351 HydrophobicContact CE2-CG2 4.02Å; T351-E353 PolarHBondContact O-N 2.86Å
352L91.3Very high91.2Very high56 Ų5656.3 Ų56.329%0.29330%0.296SS..PPolyproline II helixtrans-48.6134.2172.1-61.9-177000112.2A262 Y267 G324A262-L352 HydrophobicContact CB-CD2 3.63Å; A262-L352 HydrophobicContact CB-CG 3.91Å; Y267-L352 HydrophobicContact CD1-CB 3.93Å; Y267-L352 HydrophobicContact CD1-CD1 4.32Å; Y267-L352 HydrophobicContact CE1-CB 4.28Å; Y267-L352 HydrophobicContact CE1-CD1 4.38Å; G324-L352 PolarHBondContact N-O 2.79Å
353E91.2Very high91.1Very high57 Ų5751.8 Ų51.827%0.26627%0.274SS..PPolyproline II helixtrans-63.7155.6167.1-68.7-154.7163.600110.7Y267 T351 N390 G391 K392 A436 A437Y267-E353 VanDerWaalsContact CE1-O 3.29Å; Y267-E353 WeakPolarHBondContact CE1-O 3.41Å; T351-E353 PolarHBondContact O-N 2.86Å; E353-N390 VanDerWaalsContact CA-O 3.25Å; E353-N390 WeakPolarHBondContact CA-O 3.42Å; E353-G391 WeakPolarHBondContact OE1-CA 3.44Å; E353-K392 PolarHBondContact OE1-N 2.68Å; E353-A436 WeakPolarHBondContact OE2-CB 3.38Å; E353-A436 PolarHBondContact OE2-N 3.14Å; E353-A437 HydrophobicContact CB-CB 3.79Å
354R90.6Very high90.8Very high129 Ų12950 Ų5049%0.48727%0.268SS..  trans-139.7152171.3-175.3175.8-179.81780.4107.8Y267 H323 N390 N435Y267-R354 HydrophobicContact CD1-CB 4.17Å; Y267-R354 HydrophobicContact CE1-CB 4.49Å; H323-R354 HydrophobicContact CB-CB 4.05Å; R354-N390 HydrophobicContact CB-CB 4.15Å; R354-N390 PolarHBondContact N-O 3.31Å; R354-N390 WeakPolarHBondContact O-CB 3.25Å; R354-N435 PolarHBondContact O-ND2 2.88Å
355A91.6Very high90.3Very high32 Ų3251.7 Ų51.726%0.26428%0.278SS..  trans-51.4144.7177.600000112N390A355-N390 PolarHBondContact O-ND2 3.36Å
356P93.6Very high89.7Confident3 Ų346.7 Ų46.72%0.01925%0.253CS..  trans-63144.2-175.1-19.531.7000111.5F387 R388 I393 A433 N435 G438 S440P356-F387 HydrophobicContact CB-CE2 4.22Å; P356-F387 HydrophobicContact CB-CZ 3.89Å; P356-R388 WeakPolarHBondContact CA-O 3.49Å; P356-I393 HydrophobicContact CB-CD1 4.14Å; P356-I393 HydrophobicContact CG-CD1 3.68Å; P356-A433 HydrophobicContact CB-CB 4.33Å; P356-A433 HydrophobicContact CG-CB 4.31Å; P356-N435 HydrophobicContact CG-CB 4.21Å; P356-G438 VanDerWaalsContact CD-O 3.3Å; P356-G438 WeakPolarHBondContact CD-O 3.42Å; P356-S440 WeakPolarHBondContact O-CA 3.39Å; P356-S440 WeakPolarHBondContact O-CB 3.45Å
357S91.4Very high88.8Confident49 Ų4945.6 Ų45.634%0.34325%0.245SC..BIsolated β-bridgetrans-131.6144.8-172.260.10000112.4F387 R388 N390S357-F387 CarbonylContact O-C 3.55Å; S357-F387 WeakPolarHBondContact O-CA 3.5Å; S357-R388 PolarHBondContact N-O 3.42Å; S357-R388 PolarHBondContact O-N 3.37Å; S357-N390 PolarHBondContact OG-ND2 2.68Å
358G88.6Confident87.5Confident23 Ų2354.4 Ų54.424%0.23727%0.274CS..SBendtrans110.2-164.3-174.800000111.6
359R89.2Confident85.9Confident177 Ų17757.8 Ų57.867%0.66829%0.285SS*.  trans-117157.2179.1-61.4-175.8-175.8-163.91.8111.1S384R359-S384 VanDerWaalsContact O-CB 3.25Å; R359-S384 WeakPolarHBondContact O-CB 3.32Å; R359-S384 PolarHBondContact O-N 2.77Å; R359-S384 PolarHBondContact O-OG 2.9Å
360L91.9Very high84.3Confident6 Ų663 Ų633%0.03131%0.308CS..EExtended strand (participates in β ladder)trans-100132.4169-64.9168.2000108.9W381 F387 Y396 L431 T443L360-W381 HydrophobicContact CB-CB 4.43Å; L360-F387 HydrophobicContact CD2-CD2 3.75Å; L360-F387 HydrophobicContact CD2-CE2 3.7Å; L360-F387 HydrophobicContact CD2-CG 4.2Å; L360-F387 HydrophobicContact CD2-CZ 4.11Å; L360-F387 HydrophobicContact CG-CD2 4.26Å; L360-F387 HydrophobicContact CG-CE2 4.13Å; L360-Y396 HydrophobicContact CD1-CD1 3.93Å; L360-Y396 HydrophobicContact CD1-CE1 3.82Å; L360-Y396 HydrophobicContact CD2-CE1 4.25Å; L360-L431 HydrophobicContact CB-CD2 4Å; L360-L431 HydrophobicContact CD1-CD2 3.71Å; L360-L431 HydrophobicContact CD1-CG 3.82Å; L360-T443 PolarHBondContact N-OG1 2.71Å; L360-T443 WeakPolarHBondContact O-CG2 3.48Å
361N92Very high82.7Confident58 Ų5866.5 Ų66.531%0.3132%0.317SS..EExtended strand (participates in β ladder)trans-72136.9167-75.310000107.1W381 K382 S384 F501N361-W381 CarbonylContact O-C 3.55Å; N361-W381 WeakPolarHBondContact O-CA 3.47Å; N361-W381 WeakPolarHBondContact O-CB 3.37Å; N361-K382 HydrophobicContact CB-CG 4.28Å; N361-K382 PolarHBondContact N-O 2.88Å; N361-K382 PolarHBondContact O-N 2.92Å; N361-S384 VanDerWaalsContact OD1-CB 3.27Å; N361-S384 WeakPolarHBondContact OD1-CB 3.36Å; N361-F501 HydrophobicContact CB-CE2 4.35Å
362S91.9Very high81.1Confident19 Ų1974.8 Ų74.813%0.13336%0.355CS..EExtended strand (participates in β ladder)trans-137.6153.7-175.849.90000112.6F380 H503S362-F380 CarbonylContact C-O 3.55Å; S362-F380 VanDerWaalsContact CA-O 3.24Å; S362-F380 WeakPolarHBondContact CA-O 3.5Å; S362-F380 WeakPolarHBondContact CB-O 3.16Å; S362-H503 PolarHBondContact O-CE1 2.79Å; S362-H503 PolarHBondContact O-NE2 3.35Å
363W90.8Very high80Confident11 Ų1181.4 Ų81.44%0.04238%0.381CS..EExtended strand (participates in β ladder)trans-140.9153.3175.9176.7-119.5000109L379 F380 V485 V487 F501 Y528 I535W363-L379 WeakPolarHBondContact O-CD1 3.27Å; W363-F380 PolarHBondContact N-O 2.79Å; W363-F380 PolarHBondContact O-N 2.8Å; W363-V485 HydrophobicContact CD2-CG1 4.04Å; W363-V485 HydrophobicContact CE3-CB 4.08Å; W363-V485 HydrophobicContact CE3-CG1 3.65Å; W363-V485 HydrophobicContact CE3-CG2 4.04Å; W363-V485 HydrophobicContact CH2-CB 4.06Å; W363-V485 HydrophobicContact CH2-CG1 4.23Å; W363-V485 HydrophobicContact CH2-CG2 4.46Å; W363-V485 HydrophobicContact CZ3-CB 3.65Å; W363-V485 HydrophobicContact CZ3-CG1 3.75Å; W363-V485 HydrophobicContact CZ3-CG2 3.64Å; W363-V487 HydrophobicContact CD2-CG2 4.26Å; W363-V487 HydrophobicContact CZ2-CG2 3.75Å; W363-F501 HydrophobicContact CB-CB 4.27Å; W363-F501 HydrophobicContact CB-CD1 3.6Å; W363-F501 HydrophobicContact CB-CD2 3.6Å; W363-F501 HydrophobicContact CB-CE1 3.76Å; W363-F501 HydrophobicContact CB-CE2 3.76Å; W363-F501 HydrophobicContact CB-CG 3.53Å; W363-F501 HydrophobicContact CB-CZ 3.84Å; W363-F501 HydrophobicContact CG-CB 4.3Å; W363-F501 HydrophobicContact CG-CD1 4.3Å; W363-F501 HydrophobicContact CG-CD2 4.42Å; W363-F501 HydrophobicContact CG-CG 4.08Å; W363-Y528 HydrophobicContact CH2-CD1 4.03Å; W363-Y528 AromaticContact CH2-CD2 3.86Å; W363-Y528 HydrophobicContact CH2-CD2 3.86Å; W363-Y528 HydrophobicContact CH2-CE2 4.36Å; W363-Y528 AromaticContact CH2-CG 3.67Å; W363-Y528 HydrophobicContact CH2-CG 3.67Å; W363-Y528 HydrophobicContact CZ2-CD1 4.1Å; W363-Y528 AromaticContact CZ2-CD2 3.63Å; W363-Y528 HydrophobicContact CZ2-CD2 3.63Å; W363-Y528 HydrophobicContact CZ2-CE1 4.16Å; W363-Y528 AromaticContact CZ2-CE2 3.69Å; W363-Y528 HydrophobicContact CZ2-CE2 3.69Å; W363-Y528 AromaticContact CZ2-CG 3.84Å; W363-Y528 HydrophobicContact CZ2-CG 3.84Å; W363-Y528 AromaticContact CZ2-CZ 3.96Å; W363-I535 HydrophobicContact CH2-CD1 3.78Å; W363-I535 HydrophobicContact CH2-CG2 4.27Å; W363-I535 HydrophobicContact CZ3-CD1 3.54Å
364M87.6Confident79.2Confident9 Ų980 Ų804%0.04438%0.378CS..EExtended strand (participates in β ladder)trans-140.6151174.670.2177.16800112.2L377 H378 L379 V445 E446 V447M364-L377 HydrophobicContact SD-CD2 4.19Å; M364-H378 CarbonylContact C-O 3.03Å; M364-H378 WeakPolarHBondContact CA-O 3.15Å; M364-H378 WeakPolarHBondContact CB-O 3.17Å; M364-L379 HydrophobicContact CB-CD1 4.08Å; M364-L379 HydrophobicContact CE-CD1 4.14Å; M364-V445 HydrophobicContact CE-CG1 3.55Å; M364-E446 WeakPolarHBondContact CE-O 3.48Å; M364-V447 HydrophobicContact CE-CB 4.45Å; M364-V447 HydrophobicContact CE-CG2 4.07Å; M364-V447 HydrophobicContact SD-CB 4.32Å; M364-V447 HydrophobicContact SD-CG1 4.15Å; M364-V447 HydrophobicContact SD-CG2 4.41Å
365T82.6Confident78.6Confident38 Ų3874.8 Ų74.823%0.23336%0.359CS..EExtended strand (participates in β ladder)trans-122.3147.9167.659.40000110.1H378T365-H378 PolarHBondContact N-O 2.97Å; T365-H378 PolarHBondContact O-N 2.8Å
366V78.1Confident78.4Confident38 Ų3873.7 Ų73.723%0.2335%0.35CS..EExtended strand (participates in β ladder)trans-94.3120.4176.4-1790000107.9L375 L377V366-L375 HydrophobicContact CG1-CD1 3.58Å; V366-L375 HydrophobicContact CG1-CD2 4.38Å; V366-L375 HydrophobicContact CG1-CG 4Å; V366-L375 HydrophobicContact CG2-CD2 4.49Å; V366-L377 HydrophobicContact CG2-CD2 3.9Å
367S69.2Low78.1Confident33 Ų3373.6 Ų73.623%0.23135%0.349CS..  trans-72.1144.1173.3168.90000110.6E369 S376S367-E369 PolarHBondContact O-N 3.1Å; S367-S376 PolarHBondContact N-O 3.32Å
368R60.8Low78Confident241 Ų24173.6 Ų73.691%0.90934%0.344SS*.SBendtrans-72.3-13.5-174.4-58.1-172.4-171.1-149.34.2113.3Q370R368-Q370 PolarHBondContact O-N 3.02Å
369E58.5Low78.1Confident143 Ų14372.5 Ų72.567%0.66833%0.332SS*.  trans-70.883.3177.9-69-171.8-17500112.7S367 K371S367-E369 PolarHBondContact O-N 3.1Å; E369-K371 PolarHBondContact O-N 2.77Å; E369-K371 VanDerWaalsContact O-N 3.14Å
370Q56.4Low78.3Confident121 Ų12164.4 Ų64.457%0.56530%0.302SS*.  trans-83.883.2-178.9-66.6-166.838.700113.2R368 H372R368-Q370 PolarHBondContact O-N 3.02Å; Q370-H372 PolarHBondContact O-N 2.92Å
371K56.8Low78.3Confident151 Ų15164.3 Ų64.366%0.65730%0.301SS*.  trans-64.2123.8160.5-69.2179.1-178.9172.90108.7E369 K373 S374E369-K371 PolarHBondContact O-N 2.77Å; E369-K371 VanDerWaalsContact O-N 3.14Å; K371-K373 PolarHBondContact O-N 2.96Å; K371-S374 PolarHBondContact O-N 2.89Å; K371-S374 VanDerWaalsContact O-O 3.06Å
372H58.7Low78.3Confident177 Ų17763.1 Ų63.182%0.81929%0.293SS*.THydrogen-bonded Turntrans-52.6-9.9-162.9-66.1-82.7000118.3Q370Q370-H372 PolarHBondContact O-N 2.92Å
373K69.1Low78.2Confident195 Ų19565.5 Ų65.585%0.84831%0.308SS*.THydrogen-bonded Turntrans-120-10.8-178.8-64.2-179.3-179.31760115K371K371-K373 PolarHBondContact O-N 2.96Å
374S73Confident78.2Confident28 Ų2865.8 Ų65.820%0.19631%0.312CS..EExtended strand (participates in β ladder)trans-128.4165.9179.263.80000112.2K371 Q421K371-S374 PolarHBondContact O-N 2.89Å; K371-S374 VanDerWaalsContact O-O 3.06Å; S374-Q421 PolarHBondContact OG-OE1 3.48Å
375L79Confident78.2Confident18 Ų1875.7 Ų75.79%0.09436%0.355CS..EExtended strand (participates in β ladder)trans-119.1125.8172.9-164.668.4000107.8V366 L377 L422 Q449V366-L375 HydrophobicContact CG1-CD1 3.58Å; V366-L375 HydrophobicContact CG1-CD2 4.38Å; V366-L375 HydrophobicContact CG1-CG 4Å; V366-L375 HydrophobicContact CG2-CD2 4.49Å; L375-L377 HydrophobicContact CD2-CD2 3.83Å; L375-L377 HydrophobicContact CD2-CG 4.28Å; L375-L377 HydrophobicContact CG-CD2 4.17Å; L375-L377 HydrophobicContact CG-CG 4.37Å; L375-L422 PolarHBondContact N-O 2.96Å; L375-L422 PolarHBondContact O-N 3.1Å; L375-Q449 HydrophobicContact CD2-CG 4.43Å
376S86.6Confident78.4Confident10 Ų1080.9 Ų80.97%0.0738%0.376CS..EExtended strand (participates in β ladder)trans-86.4114.9175.7-165.90000109.1S367 Q421S367-S376 PolarHBondContact N-O 3.32Å; S376-Q421 VanDerWaalsContact CB-NE2 3.3Å; S376-Q421 PolarHBondContact OG-NE2 3.38Å
377L87.5Confident79Confident0 Ų080.2 Ų80.20%037%0.371CS..EExtended strand (participates in β ladder)trans-114.9130-175-69.2174.9000110.5M364 V366 L375 V419 F420 L422 V447M364-L377 HydrophobicContact SD-CD2 4.19Å; V366-L377 HydrophobicContact CG2-CD2 3.9Å; L375-L377 HydrophobicContact CD2-CD2 3.83Å; L375-L377 HydrophobicContact CD2-CG 4.28Å; L375-L377 HydrophobicContact CG-CD2 4.17Å; L375-L377 HydrophobicContact CG-CG 4.37Å; L377-V419 WeakPolarHBondContact O-CA 3.46Å; L377-F420 HydrophobicContact CB-CD2 4.46Å; L377-F420 HydrophobicContact CB-CE2 4.04Å; L377-F420 HydrophobicContact CB-CZ 4.17Å; L377-F420 HydrophobicContact CD1-CE2 3.92Å; L377-F420 HydrophobicContact CD1-CZ 4.38Å; L377-F420 PolarHBondContact N-O 2.79Å; L377-F420 PolarHBondContact O-N 2.8Å; L377-L422 HydrophobicContact CD1-CB 3.85Å; L377-L422 HydrophobicContact CD1-CD2 3.71Å; L377-L422 HydrophobicContact CD1-CG 4.42Å; L377-V447 HydrophobicContact CD1-CG1 3.75Å; L377-V447 HydrophobicContact CD1-CG2 4.32Å; L377-V447 HydrophobicContact CD2-CG1 4.44Å
378H89.2Confident79.9Confident50 Ų5085.2 Ų85.223%0.23138%0.384CS..EExtended strand (participates in β ladder)trans-103.9113.2170.7-67.7-138.4000106.8M364 T365 F380 V419M364-H378 CarbonylContact C-O 3.03Å; M364-H378 WeakPolarHBondContact CA-O 3.15Å; M364-H378 WeakPolarHBondContact CB-O 3.17Å; T365-H378 PolarHBondContact N-O 2.97Å; T365-H378 PolarHBondContact O-N 2.8Å; H378-F380 HydrophobicContact CB-CE2 3.84Å; H378-F380 HydrophobicContact CB-CZ 4.05Å; H378-V419 HydrophobicContact CB-CG2 4.44Å
379L91.5Very high81.2Confident0 Ų075.4 Ų75.40%036%0.355CS..EExtended strand (participates in β ladder)trans-107134.5-178.6-178.372.2000109.5W363 M364 W381 V398 H417 C418 F420 V445W363-L379 WeakPolarHBondContact O-CD1 3.27Å; M364-L379 HydrophobicContact CB-CD1 4.08Å; M364-L379 HydrophobicContact CE-CD1 4.14Å; L379-W381 HydrophobicContact CB-CZ3 4.15Å; L379-W381 HydrophobicContact CD2-CE3 3.98Å; L379-W381 HydrophobicContact CD2-CZ3 3.82Å; L379-W381 HydrophobicContact CG-CE3 3.83Å; L379-W381 HydrophobicContact CG-CZ3 3.86Å; L379-W381 WeakPolarHBondContact O-CZ3 3.46Å; L379-V398 HydrophobicContact CD2-CG1 4.21Å; L379-V398 HydrophobicContact CD2-CG2 3.96Å; L379-H417 CarbonylContact O-C 3.57Å; L379-H417 WeakPolarHBondContact O-CA 3.38Å; L379-H417 WeakPolarHBondContact O-CB 3.37Å; L379-C418 PolarHBondContact N-O 3.34Å; L379-C418 PolarHBondContact O-N 2.94Å; L379-F420 HydrophobicContact CB-CE1 3.68Å; L379-F420 HydrophobicContact CB-CZ 4.28Å; L379-F420 HydrophobicContact CD2-CE1 3.98Å; L379-F420 HydrophobicContact CD2-CZ 4.36Å; L379-F420 HydrophobicContact CG-CE1 4.45Å; L379-V445 HydrophobicContact CD1-CG1 3.85Å
380F92.1Very high82.7Confident7 Ų769.4 Ų69.43%0.03133%0.327CS..EExtended strand (participates in β ladder)trans-123.5148.7179.4-54.2-91.9000109.4S362 W363 H378 H417 P496 I499 F501S362-F380 CarbonylContact C-O 3.55Å; S362-F380 VanDerWaalsContact CA-O 3.24Å; S362-F380 WeakPolarHBondContact CA-O 3.5Å; S362-F380 WeakPolarHBondContact CB-O 3.16Å; W363-F380 PolarHBondContact N-O 2.79Å; W363-F380 PolarHBondContact O-N 2.8Å; H378-F380 HydrophobicContact CB-CE2 3.84Å; H378-F380 HydrophobicContact CB-CZ 4.05Å; F380-H417 HydrophobicContact CD1-CB 3.5Å; F380-H417 HydrophobicContact CE1-CB 3.88Å; F380-H417 HydrophobicContact CG-CB 4.27Å; F380-P496 HydrophobicContact CE1-CB 4.2Å; F380-P496 WeakPolarHBondContact CE1-O 3.39Å; F380-I499 HydrophobicContact CD1-CB 4.35Å; F380-I499 HydrophobicContact CE1-CB 4.15Å; F380-I499 HydrophobicContact CE1-CD1 3.91Å; F380-I499 HydrophobicContact CZ-CD1 3.72Å; F380-F501 HydrophobicContact CB-CD1 4.43Å; F380-F501 HydrophobicContact CB-CE1 3.94Å
381W92.4Very high84.2Confident4 Ų464.2 Ų64.22%0.01531%0.306CS..EExtended strand (participates in β ladder)trans-148.3147.3176.852.886.4000114.1L360 N361 L379 Y396 V398 T413 D415 N416 H417 C418 L431L360-W381 HydrophobicContact CB-CB 4.43Å; N361-W381 CarbonylContact O-C 3.55Å; N361-W381 WeakPolarHBondContact O-CA 3.47Å; N361-W381 WeakPolarHBondContact O-CB 3.37Å; L379-W381 HydrophobicContact CB-CZ3 4.15Å; L379-W381 HydrophobicContact CD2-CE3 3.98Å; L379-W381 HydrophobicContact CD2-CZ3 3.82Å; L379-W381 HydrophobicContact CG-CE3 3.83Å; L379-W381 HydrophobicContact CG-CZ3 3.86Å; L379-W381 WeakPolarHBondContact O-CZ3 3.46Å; W381-Y396 AromaticContact CD1-CE1 3.97Å; W381-Y396 AromaticContact CE2-CG 3.75Å; W381-Y396 VanDerWaalsContact CZ2-CB 3.49Å; W381-Y396 HydrophobicContact CZ2-CD2 4.1Å; W381-Y396 AromaticContact CZ2-CG 3.86Å; W381-Y396 HydrophobicContact CZ2-CG 3.86Å; W381-Y396 AromaticContact NE1-CD1 3.41Å; W381-Y396 AromaticContact NE1-CD2 3.3Å; W381-Y396 VanDerWaalsContact NE1-CD2 3.3Å; W381-Y396 AromaticContact NE1-CE1 3.66Å; W381-Y396 AromaticContact NE1-CE2 3.57Å; W381-Y396 AromaticContact NE1-CG 3.22Å; W381-Y396 AromaticContact NE1-CZ 3.75Å; W381-V398 HydrophobicContact CH2-CG2 4.29Å; W381-V398 HydrophobicContact CZ3-CG2 4.29Å; W381-T413 HydrophobicContact CH2-CG2 3.8Å; W381-T413 HydrophobicContact CZ2-CG2 3.62Å; W381-D415 WeakPolarHBondContact CZ2-O 3.38Å; W381-N416 PolarHBondContact N-O 2.99Å; W381-N416 WeakPolarHBondContact O-CB 3.3Å; W381-H417 VanDerWaalsContact CH2-C 3.42Å; W381-C418 HydrophobicContact CH2-CB 3.85Å; W381-C418 HydrophobicContact CZ3-CB 4.33Å; W381-L431 HydrophobicContact CB-CD2 3.68Å; W381-L431 HydrophobicContact CD2-CD1 3.93Å; W381-L431 HydrophobicContact CD2-CD2 3.75Å; W381-L431 HydrophobicContact CE3-CD1 3.96Å; W381-L431 HydrophobicContact CE3-CD2 3.92Å; W381-L431 HydrophobicContact CG-CD2 3.67Å; W381-L431 HydrophobicContact CH2-CD1 4.26Å; W381-L431 HydrophobicContact CZ2-CD1 4.22Å; W381-L431 HydrophobicContact CZ3-CD1 4.14Å
382K91.4Very high85.7Confident32 Ų3264.6 Ų64.614%0.13931%0.308CS..EExtended strand (participates in β ladder)trans-128.9148.2168.272.2-174.1-167.7-176.20111.4N361 S384 F501 D502 E515N361-K382 HydrophobicContact CB-CG 4.28Å; N361-K382 PolarHBondContact N-O 2.88Å; N361-K382 PolarHBondContact O-N 2.92Å; K382-S384 PolarHBondContact O-N 3.35Å; K382-F501 VanDerWaalsContact CE-O 3.25Å; K382-F501 WeakPolarHBondContact CE-O 3.42Å; K382-F501 HydrophobicContact CG-CZ 4.36Å; K382-F501 PolarHBondContact NZ-O 3.17Å; K382-D502 WeakPolarHBondContact CE-OD1 3.38Å; K382-D502 IonicContact NZ-OD1 3.69Å; K382-D502 PolarHBondContact NZ-OD1 2.92Å; K382-D502 VanDerWaalsContact NZ-OD1 3.17Å; K382-D502 IonicContact NZ-OD2 2.79Å; K382-D502 PolarHBondContact NZ-OD2 3.32Å; K382-E515 IonicContact NZ-OE1 3.82Å; K382-E515 PolarHBondContact NZ-OE1 2.81Å; K382-E515 IonicContact NZ-OE2 2.87Å; K382-E515 PolarHBondContact NZ-OE2 3.41Å
383P91.6Very high87.2Confident70 Ų7058 Ų5846%0.45528%0.279SS..EExtended strand (participates in β ladder)trans-53.9130.3174.8-27.536.3000111.9F387P383-F387 HydrophobicContact CB-CB 4.07Å; P383-F387 HydrophobicContact CB-CD1 3.91Å; P383-F387 HydrophobicContact CB-CG 4.21Å; P383-F387 HydrophobicContact CG-CD1 4.44Å
384S90.3Very high88.2Confident16 Ų1653.1 Ų53.111%0.11226%0.261CS..  trans-74.7163.517272.90000111R359 N361 K382 Q386 F387R359-S384 VanDerWaalsContact O-CB 3.25Å; R359-S384 WeakPolarHBondContact O-CB 3.32Å; R359-S384 PolarHBondContact O-N 2.77Å; R359-S384 PolarHBondContact O-OG 2.9Å; N361-S384 VanDerWaalsContact OD1-CB 3.27Å; N361-S384 WeakPolarHBondContact OD1-CB 3.36Å; K382-S384 PolarHBondContact O-N 3.35Å; S384-Q386 PolarHBondContact O-N 2.94Å; S384-Q386 PolarHBondContact OG-N 2.74Å; S384-F387 WeakPolarHBondContact O-CB 3.16Å; S384-F387 PolarHBondContact O-N 2.84Å; S384-F387 PolarHBondContact OG-N 2.68Å
385K87.1Confident89.1Confident218 Ų21853.2 Ų53.295%0.94826%0.262SS*.THydrogen-bonded Turntrans-57.1-15173-62.5-177.8-179.7178.80113.9
386Q86.9Confident89.8Confident147 Ų14753.2 Ų53.269%0.68726%0.261SS*.THydrogen-bonded Turntrans-100.7-4.9176.5-62.3179.90.400113.5S384S384-Q386 PolarHBondContact O-N 2.94Å; S384-Q386 PolarHBondContact OG-N 2.74Å
387F89.9Confident90Very high24 Ų2453.2 Ų53.211%0.10526%0.261CS..  trans-75.4132.7-179.2-170.6-97.9000111.5P356 S357 L360 P383 S384 A389 I393 A433P356-F387 HydrophobicContact CB-CE2 4.22Å; P356-F387 HydrophobicContact CB-CZ 3.89Å; S357-F387 CarbonylContact O-C 3.55Å; S357-F387 WeakPolarHBondContact O-CA 3.5Å; L360-F387 HydrophobicContact CD2-CD2 3.75Å; L360-F387 HydrophobicContact CD2-CE2 3.7Å; L360-F387 HydrophobicContact CD2-CG 4.2Å; L360-F387 HydrophobicContact CD2-CZ 4.11Å; L360-F387 HydrophobicContact CG-CD2 4.26Å; L360-F387 HydrophobicContact CG-CE2 4.13Å; P383-F387 HydrophobicContact CB-CB 4.07Å; P383-F387 HydrophobicContact CB-CD1 3.91Å; P383-F387 HydrophobicContact CB-CG 4.21Å; P383-F387 HydrophobicContact CG-CD1 4.44Å; S384-F387 WeakPolarHBondContact O-CB 3.16Å; S384-F387 PolarHBondContact O-N 2.84Å; S384-F387 PolarHBondContact OG-N 2.68Å; F387-A389 HydrophobicContact CE1-CB 4.1Å; F387-I393 HydrophobicContact CE1-CD1 4.45Å; F387-I393 HydrophobicContact CZ-CD1 4.25Å; F387-A433 HydrophobicContact CE2-CB 4.24Å; F387-A433 HydrophobicContact CZ-CB 3.92Å
388R89.4Confident90.3Very high138 Ų13853.3 Ų53.352%0.52126%0.261SS..BIsolated β-bridgetrans-127.8115.3172.2-58.1-65.2-174.5164.90.6108P356 S357 N390P356-R388 WeakPolarHBondContact CA-O 3.49Å; S357-R388 PolarHBondContact N-O 3.42Å; S357-R388 PolarHBondContact O-N 3.37Å; R388-N390 WeakPolarHBondContact CB-OD1 3.42Å; R388-N390 PolarHBondContact O-N 3.01Å
389A88Confident90.4Very high35 Ų3551 Ų5129%0.28925%0.25SS..  trans-64.7-26.9179.700000112.9F387 G391 I393 N435F387-A389 HydrophobicContact CE1-CB 4.1Å; A389-G391 WeakPolarHBondContact CB-O 3.13Å; A389-G391 PolarHBondContact O-N 2.89Å; A389-I393 HydrophobicContact CB-CD1 3.84Å; A389-I393 HydrophobicContact CB-CG1 4.06Å; A389-N435 PolarHBondContact O-ND2 2.86Å
390N90.6Very high90.2Very high16 Ų1658.1 Ų58.19%0.08628%0.277CS..SBendtrans54.121.4176.2-65.9-31.6000114.6H323 G324 E353 R354 A355 S357 R388H323-N390 HydrophobicContact CB-CB 3.83Å; H323-N390 PolarHBondContact ND1-OD1 3.15Å; H323-N390 CarbonylContact O-C 3.57Å; G324-N390 WeakPolarHBondContact CA-O 3.4Å; G324-N390 PolarHBondContact N-O 2.85Å; E353-N390 VanDerWaalsContact CA-O 3.25Å; E353-N390 WeakPolarHBondContact CA-O 3.42Å; R354-N390 HydrophobicContact CB-CB 4.15Å; R354-N390 PolarHBondContact N-O 3.31Å; R354-N390 WeakPolarHBondContact O-CB 3.25Å; A355-N390 PolarHBondContact O-ND2 3.36Å; S357-N390 PolarHBondContact OG-ND2 2.68Å; R388-N390 WeakPolarHBondContact CB-OD1 3.42Å; R388-N390 PolarHBondContact O-N 3.01Å
391G87.2Confident89.7Confident13 Ų1363 Ų6313%0.13430%0.3CS..SBendtrans152-179-166.700000110.7E353 A389E353-G391 WeakPolarHBondContact OE1-CA 3.44Å; A389-G391 WeakPolarHBondContact CB-O 3.13Å; A389-G391 PolarHBondContact O-N 2.89Å
392K89.1Confident88.9Confident158 Ų15870.9 Ų70.969%0.68733%0.33SS*.  trans-78.7124.8175.2-177.2175.6177.3177.90110.4E353 L394 N435E353-K392 PolarHBondContact OE1-N 2.68Å; K392-L394 HydrophobicContact CG-CD2 4.35Å; K392-L394 PolarHBondContact O-N 2.84Å; K392-N435 WeakPolarHBondContact O-CA 3.26Å; K392-N435 WeakPolarHBondContact O-CB 3.48Å
393I89.9Confident87.9Confident40 Ų4076 Ų7621%0.20535%0.354CS..  trans-66.2131172.6-55.9-54.2000109.6P356 F387 A389 Y396 A433 G434P356-I393 HydrophobicContact CB-CD1 4.14Å; P356-I393 HydrophobicContact CG-CD1 3.68Å; F387-I393 HydrophobicContact CE1-CD1 4.45Å; F387-I393 HydrophobicContact CZ-CD1 4.25Å; A389-I393 HydrophobicContact CB-CD1 3.84Å; A389-I393 HydrophobicContact CB-CG1 4.06Å; I393-Y396 HydrophobicContact CG2-CE1 4.4Å; I393-Y396 HydrophobicContact CG2-CE2 4.15Å; I393-A433 HydrophobicContact CD1-CB 4.28Å; I393-G434 WeakPolarHBondContact CA-O 3.27Å
394L89.9Confident86.5Confident91 Ų9175.3 Ų75.348%0.47635%0.35SS..  trans-114.9-16.2-177.6-58.9-178.4000113.1K392 L414 G434 A436K392-L394 HydrophobicContact CG-CD2 4.35Å; K392-L394 PolarHBondContact O-N 2.84Å; L394-L414 WeakPolarHBondContact O-CD2 3.44Å; L394-G434 PolarHBondContact N-O 3.19Å; L394-A436 HydrophobicContact CD1-CB 4.15Å
395S92.1Very high85.2Confident31 Ų3179.3 Ų79.322%0.21737%0.369CS..EExtended strand (participates in β ladder)trans-168.7156.4169.350.50000111.8T413 G434S395-T413 CarbonylContact C-O 3.6Å; S395-T413 WeakPolarHBondContact CA-O 3.35Å; S395-G434 PolarHBondContact N-O 3.18Å; S395-G434 PolarHBondContact O-N 2.85Å
396Y92.9Very high84.2Confident17 Ų1778.3 Ų78.37%0.06737%0.365CS..EExtended strand (participates in β ladder)trans-105.1139.5156.7-65.3-76.1000109.3L360 W381 I393 I412 T413 D415 S432 A433L360-Y396 HydrophobicContact CD1-CD1 3.93Å; L360-Y396 HydrophobicContact CD1-CE1 3.82Å; L360-Y396 HydrophobicContact CD2-CE1 4.25Å; W381-Y396 AromaticContact CD1-CE1 3.97Å; W381-Y396 AromaticContact CE2-CG 3.75Å; W381-Y396 VanDerWaalsContact CZ2-CB 3.49Å; W381-Y396 HydrophobicContact CZ2-CD2 4.1Å; W381-Y396 AromaticContact CZ2-CG 3.86Å; W381-Y396 HydrophobicContact CZ2-CG 3.86Å; W381-Y396 AromaticContact NE1-CD1 3.41Å; W381-Y396 AromaticContact NE1-CD2 3.3Å; W381-Y396 VanDerWaalsContact NE1-CD2 3.3Å; W381-Y396 AromaticContact NE1-CE1 3.66Å; W381-Y396 AromaticContact NE1-CE2 3.57Å; W381-Y396 AromaticContact NE1-CG 3.22Å; W381-Y396 AromaticContact NE1-CZ 3.75Å; I393-Y396 HydrophobicContact CG2-CE1 4.4Å; I393-Y396 HydrophobicContact CG2-CE2 4.15Å; Y396-I412 WeakPolarHBondContact O-CA 3.5Å; Y396-T413 PolarHBondContact N-O 3.13Å; Y396-T413 PolarHBondContact O-N 2.97Å; Y396-D415 VanDerWaalsContact CD2-O 3.32Å; Y396-D415 WeakPolarHBondContact CD2-O 3.48Å; Y396-S432 WeakPolarHBondContact CA-O 3.1Å; Y396-A433 HydrophobicContact CD1-CB 3.79Å; Y396-A433 HydrophobicContact CE1-CB 3.68Å
397V92Very high83.2Confident11 Ų1181.7 Ų81.77%0.06738%0.378CS..EExtended strand (participates in β ladder)trans-123126.9-178.51700000109.5P404 Q409 I412 L431 S432V397-P404 HydrophobicContact CG1-CB 4.13Å; V397-Q409 HydrophobicContact CG1-CG 4.04Å; V397-Q409 VanDerWaalsContact CG1-NE2 3.29Å; V397-I412 HydrophobicContact CG2-CG2 4.32Å; V397-L431 WeakPolarHBondContact O-CA 3.21Å; V397-S432 PolarHBondContact N-O 3.43Å; V397-S432 PolarHBondContact O-N 2.68Å
398V92.1Very high82.5Confident1 Ų181 Ų811%0.00638%0.377CS..EExtended strand (participates in β ladder)trans-103.8129.2169.2-169.90000108.7L379 W381 L410 C411 F420 V429 F430 L431L379-V398 HydrophobicContact CD2-CG1 4.21Å; L379-V398 HydrophobicContact CD2-CG2 3.96Å; W381-V398 HydrophobicContact CH2-CG2 4.29Å; W381-V398 HydrophobicContact CZ3-CG2 4.29Å; V398-L410 HydrophobicContact CB-CB 4.46Å; V398-L410 HydrophobicContact CG1-CB 4.36Å; V398-L410 HydrophobicContact CG1-CD1 4.31Å; V398-L410 PolarHBondContact O-N 3.08Å; V398-C411 HydrophobicContact CB-CB 4.17Å; V398-C411 HydrophobicContact CG2-CB 4.21Å; V398-C411 PolarHBondContact N-O 2.87Å; V398-C411 PolarHBondContact O-N 3.01Å; V398-F420 HydrophobicContact CB-CE1 4.5Å; V398-F420 HydrophobicContact CG1-CD1 4.27Å; V398-F420 HydrophobicContact CG1-CE1 3.79Å; V398-F420 HydrophobicContact CG1-CZ 3.98Å; V398-F420 HydrophobicContact CG2-CE1 4.43Å; V398-V429 HydrophobicContact CG1-CB 4.32Å; V398-V429 HydrophobicContact CG1-CG2 4.28Å; V398-F430 CarbonylContact C-O 3.59Å; V398-F430 WeakPolarHBondContact CA-O 3.44Å; V398-L431 HydrophobicContact CG2-CD1 4Å
399S91.6Very high82.3Confident2 Ų277.4 Ų77.41%0.01437%0.367CS..EExtended strand (participates in β ladder)trans-134.6150.4178.359.50000112.8Q401 G408 F430S399-Q401 VanDerWaalsContact C-N 3.3Å; S399-Q401 WeakPolarHBondContact CB-O 3.47Å; S399-Q401 PolarHBondContact OG-O 3.06Å; S399-G408 CarbonylContact C-O 3.55Å; S399-G408 VanDerWaalsContact CA-O 3.31Å; S399-G408 WeakPolarHBondContact CA-O 3.32Å; S399-G408 WeakPolarHBondContact CB-O 3.5Å; S399-F430 PolarHBondContact N-O 3.12Å; S399-F430 PolarHBondContact O-N 3.38Å
400R86.8Confident82.3Confident149 Ų14978.4 Ų78.456%0.56237%0.367SS*.SBendtrans-75.4-21.6173.3-176.5176.7170.7-154.8-4.2112.4G408 L410R400-G408 PolarHBondContact N-O 2.88Å; R400-L410 HydrophobicContact CB-CD1 4.18Å; R400-L410 HydrophobicContact CB-CD2 4.46Å; R400-L410 HydrophobicContact CB-CG 4.37Å
401Q82.6Confident82.3Confident111 Ų11178.5 Ų78.552%0.51937%0.368SS..SBendtrans-118.5153.1-178.4-66.1-178.1-5.600111S399 Q403S399-Q401 VanDerWaalsContact C-N 3.3Å; S399-Q401 WeakPolarHBondContact CB-O 3.47Å; S399-Q401 PolarHBondContact OG-O 3.06Å; Q401-Q403 PolarHBondContact O-N 2.72Å
402R76.4Confident82.5Confident169 Ų16982.7 Ų82.764%0.63839%0.387SS*.SBendtrans-65.5-24.5-175.9-160.8178.1-158.7-177.310.3113.5F430 P442R402-F430 HydrophobicContact CB-CD1 4.39Å; R402-F430 HydrophobicContact CB-CD2 4.46Å; R402-F430 HydrophobicContact CB-CE1 4.12Å; R402-F430 HydrophobicContact CB-CE2 4.19Å; R402-F430 HydrophobicContact CB-CZ 4.01Å; R402-F430 HydrophobicContact CG-CD1 4.19Å; R402-F430 HydrophobicContact CG-CE1 3.96Å; R402-F430 HydrophobicContact CG-CZ 4.33Å; R402-P442 HydrophobicContact CG-CG 3.65Å
403Q70.3Confident82.6Confident139 Ų13976.3 Ų76.365%0.6536%0.361SS*.SBendtrans-105.3125.4167.3-70.3-179.5-11.300108.7Q401 L405Q401-Q403 PolarHBondContact O-N 2.72Å; Q403-L405 HydrophobicContact CB-CD1 3.92Å; Q403-L405 PolarHBondContact O-N 2.88Å
404P60.6Low82.6Confident56 Ų5680.6 Ų80.636%0.36438%0.384SS..  trans-80.268.5-179.433.3-35.7000111.4V397V397-P404 HydrophobicContact CG1-CB 4.13Å
405L63.9Low82.6Confident99 Ų9980.7 Ų80.752%0.51839%0.385SS..  trans-63.3143.8161.4-84.371.4000108.6Q403 K407 G408Q403-L405 HydrophobicContact CB-CD1 3.92Å; Q403-L405 PolarHBondContact O-N 2.88Å; L405-K407 PolarHBondContact O-N 2.95Å; L405-G408 PolarHBondContact O-N 2.65Å
406K65.5Low82.5Confident197 Ų19783.4 Ų83.486%0.85740%0.397SS*.G310 helixtrans-51.9-26.6-179.9-69.9-173.3174.8-1750114.3
407K66.5Low82.4Confident218 Ų21884.6 Ų84.695%0.94840%0.403SS*.G310 helixtrans-80.5-6.4176.5-68.1-173.4175.7-177.60115L405L405-K407 PolarHBondContact O-N 2.95Å
408G74.9Confident82.3Confident10 Ų1085 Ų8510%0.10341%0.406CS..G310 helixtrans-120.56.6-177.600000114.4S399 R400 L405S399-G408 CarbonylContact C-O 3.55Å; S399-G408 VanDerWaalsContact CA-O 3.31Å; S399-G408 WeakPolarHBondContact CA-O 3.32Å; S399-G408 WeakPolarHBondContact CB-O 3.5Å; R400-G408 PolarHBondContact N-O 2.88Å; L405-G408 PolarHBondContact O-N 2.65Å
409Q84.9Confident82.2Confident63 Ų6388.1 Ų88.129%0.29443%0.425SS..EExtended strand (participates in β ladder)trans-83.3135.3-179.7-161.816131.500110.1V397 I412V397-Q409 HydrophobicContact CG1-CG 4.04Å; V397-Q409 VanDerWaalsContact CG1-NE2 3.29Å; Q409-I412 HydrophobicContact CG-CG1 4.16Å; Q409-I412 VanDerWaalsContact NE2-CG1 3.34Å
410L88.2Confident82.1Confident56 Ų5688.5 Ų88.529%0.29343%0.426SS..EExtended strand (participates in β ladder)trans-108-35.1-177.8-62.5173.8000111.8V398 R400 F420 L422 V429V398-L410 HydrophobicContact CB-CB 4.46Å; V398-L410 HydrophobicContact CG1-CB 4.36Å; V398-L410 HydrophobicContact CG1-CD1 4.31Å; V398-L410 PolarHBondContact O-N 3.08Å; R400-L410 HydrophobicContact CB-CD1 4.18Å; R400-L410 HydrophobicContact CB-CD2 4.46Å; R400-L410 HydrophobicContact CB-CG 4.37Å; L410-F420 HydrophobicContact CB-CB 4.27Å; L410-F420 HydrophobicContact CB-CD2 4.3Å; L410-F420 HydrophobicContact CB-CG 4.24Å; L410-F420 HydrophobicContact CD1-CD2 3.96Å; L410-F420 HydrophobicContact CD1-CE2 4.06Å; L410-L422 HydrophobicContact CD1-CD1 3.68Å; L410-L422 HydrophobicContact CD2-CD1 4.48Å; L410-V429 HydrophobicContact CD1-CG1 3.95Å
411C90.4Very high82.1Confident17 Ų1785.9 Ų85.912%0.11542%0.42CS..EExtended strand (participates in β ladder)trans-153.1151.9176.3179.40000111.4V398 C418V398-C411 HydrophobicContact CB-CB 4.17Å; V398-C411 HydrophobicContact CG2-CB 4.21Å; V398-C411 PolarHBondContact N-O 2.87Å; V398-C411 PolarHBondContact O-N 3.01Å; C411-C418 HydrophobicContact CB-CB 3.96Å; C411-C418 WeakPolarHBondContact CB-SG 3.13Å; C411-C418 WeakPolarHBondContact SG-CB 3.06Å; C411-C418 CovalentContact SG-SG 2.02Å; C411-C418 PolarHBondContact SG-SG 3.04Å
412I90.9Very high82.3Confident102 Ų10280.7 Ų80.752%0.52340%0.396SS..EExtended strand (participates in β ladder)trans-128.2133.6161-45.7-178.9000106.6Y396 V397 Q409Y396-I412 WeakPolarHBondContact O-CA 3.5Å; V397-I412 HydrophobicContact CG2-CG2 4.32Å; Q409-I412 HydrophobicContact CG-CG1 4.16Å; Q409-I412 VanDerWaalsContact NE2-CG1 3.34Å
413T91.5Very high82.7Confident24 Ų2475.6 Ų75.615%0.14739%0.385CS..EExtended strand (participates in β ladder)trans-147.6164175-1750000111.2W381 S395 Y396 D415 C418W381-T413 HydrophobicContact CH2-CG2 3.8Å; W381-T413 HydrophobicContact CZ2-CG2 3.62Å; S395-T413 CarbonylContact C-O 3.6Å; S395-T413 WeakPolarHBondContact CA-O 3.35Å; Y396-T413 PolarHBondContact N-O 3.13Å; Y396-T413 PolarHBondContact O-N 2.97Å; T413-D415 WeakPolarHBondContact CG2-O 3.49Å; T413-D415 PolarHBondContact OG1-N 2.89Å; T413-D415 PolarHBondContact OG1-OD2 3.03Å; T413-D415 VanDerWaalsContact OG1-OD2 3.12Å; T413-C418 HydrophobicContact CG2-CB 4.2Å
414L90.6Very high82.9Confident130 Ų13074.1 Ų74.168%0.68137%0.373SS*.SBendtrans-91.9-20.8163.7-75.8165.6000111.9L394L394-L414 WeakPolarHBondContact O-CD2 3.44Å
415D89.6Confident83.6Confident93 Ų9374.8 Ų74.850%0.49739%0.391SS..SBendtrans-77.9166.9-174.8-56.1-65.6000113.2W381 Y396 T413 H417W381-D415 WeakPolarHBondContact CZ2-O 3.38Å; Y396-D415 VanDerWaalsContact CD2-O 3.32Å; Y396-D415 WeakPolarHBondContact CD2-O 3.48Å; T413-D415 WeakPolarHBondContact CG2-O 3.49Å; T413-D415 PolarHBondContact OG1-N 2.89Å; T413-D415 PolarHBondContact OG1-OD2 3.03Å; T413-D415 VanDerWaalsContact OG1-OD2 3.12Å; D415-H417 PolarHBondContact O-N 3.47Å
416N89.6Confident84.5Confident87 Ų8770.9 Ų70.947%0.46537%0.373SS..SBendtrans-79.412174.4-69.1-25.6000113.9W381W381-N416 PolarHBondContact N-O 2.99Å; W381-N416 WeakPolarHBondContact O-CB 3.3Å
417H90.9Very high85.3Confident43 Ų4371.7 Ų71.720%0.19937%0.37CS..EExtended strand (participates in β ladder)trans-151.8155.9-178.779.1-66.8000112.3L379 F380 W381 D415L379-H417 CarbonylContact O-C 3.57Å; L379-H417 WeakPolarHBondContact O-CA 3.38Å; L379-H417 WeakPolarHBondContact O-CB 3.37Å; F380-H417 HydrophobicContact CD1-CB 3.5Å; F380-H417 HydrophobicContact CE1-CB 3.88Å; F380-H417 HydrophobicContact CG-CB 4.27Å; W381-H417 VanDerWaalsContact CH2-C 3.42Å; D415-H417 PolarHBondContact O-N 3.47Å
418C91Very high86.3Confident19 Ų1964.9 Ų64.913%0.12834%0.341CS..EExtended strand (participates in β ladder)trans-154.7149.5167.7-1710000113.5L379 W381 C411 T413L379-C418 PolarHBondContact N-O 3.34Å; L379-C418 PolarHBondContact O-N 2.94Å; W381-C418 HydrophobicContact CH2-CB 3.85Å; W381-C418 HydrophobicContact CZ3-CB 4.33Å; C411-C418 HydrophobicContact CB-CB 3.96Å; C411-C418 WeakPolarHBondContact CB-SG 3.13Å; C411-C418 WeakPolarHBondContact SG-CB 3.06Å; C411-C418 CovalentContact SG-SG 2.02Å; C411-C418 PolarHBondContact SG-SG 3.04Å; T413-C418 HydrophobicContact CG2-CB 4.2Å
419V89.6Confident87.1Confident67 Ų6764.4 Ų64.441%0.40634%0.336SS..EExtended strand (participates in β ladder)trans-100.3131.7173.5-174.60000110.4L377 H378L377-V419 WeakPolarHBondContact O-CA 3.46Å; H378-V419 HydrophobicContact CB-CG2 4.44Å
420F89.7Confident87.4Confident10 Ų1062.7 Ų62.74%0.04433%0.328CS..EExtended strand (participates in β ladder)trans-149.1160.9175.757.7-91.6000113L377 L379 V398 L410 L422 V429L377-F420 HydrophobicContact CB-CD2 4.46Å; L377-F420 HydrophobicContact CB-CE2 4.04Å; L377-F420 HydrophobicContact CB-CZ 4.17Å; L377-F420 HydrophobicContact CD1-CE2 3.92Å; L377-F420 HydrophobicContact CD1-CZ 4.38Å; L377-F420 PolarHBondContact N-O 2.79Å; L377-F420 PolarHBondContact O-N 2.8Å; L379-F420 HydrophobicContact CB-CE1 3.68Å; L379-F420 HydrophobicContact CB-CZ 4.28Å; L379-F420 HydrophobicContact CD2-CE1 3.98Å; L379-F420 HydrophobicContact CD2-CZ 4.36Å; L379-F420 HydrophobicContact CG-CE1 4.45Å; V398-F420 HydrophobicContact CB-CE1 4.5Å; V398-F420 HydrophobicContact CG1-CD1 4.27Å; V398-F420 HydrophobicContact CG1-CE1 3.79Å; V398-F420 HydrophobicContact CG1-CZ 3.98Å; V398-F420 HydrophobicContact CG2-CE1 4.43Å; L410-F420 HydrophobicContact CB-CB 4.27Å; L410-F420 HydrophobicContact CB-CD2 4.3Å; L410-F420 HydrophobicContact CB-CG 4.24Å; L410-F420 HydrophobicContact CD1-CD2 3.96Å; L410-F420 HydrophobicContact CD1-CE2 4.06Å; F420-L422 HydrophobicContact CE2-CB 4.42Å; F420-L422 HydrophobicContact CE2-CD1 4.38Å; F420-V429 HydrophobicContact CE2-CG1 4.09Å; F420-V429 HydrophobicContact CZ-CG1 4.34Å; F420-V429 HydrophobicContact CZ-CG2 4.22Å
421Q87.4Confident87.6Confident93 Ų9360 Ų6044%0.43531%0.314SS..EExtended strand (participates in β ladder)trans-94135.8176.1-64.2-62.1-47.200111S374 S376S374-Q421 PolarHBondContact OG-OE1 3.48Å; S376-Q421 VanDerWaalsContact CB-NE2 3.3Å; S376-Q421 PolarHBondContact OG-NE2 3.38Å
422L86.1Confident87.7Confident2 Ų259.4 Ų59.41%0.0131%0.309CS..EExtended strand (participates in β ladder)trans-133.3141.1178.7-157.273.2000111.6L375 L377 L410 F420 A426 V429 V447L375-L422 PolarHBondContact N-O 2.96Å; L375-L422 PolarHBondContact O-N 3.1Å; L377-L422 HydrophobicContact CD1-CB 3.85Å; L377-L422 HydrophobicContact CD1-CD2 3.71Å; L377-L422 HydrophobicContact CD1-CG 4.42Å; L410-L422 HydrophobicContact CD1-CD1 3.68Å; L410-L422 HydrophobicContact CD2-CD1 4.48Å; F420-L422 HydrophobicContact CE2-CB 4.42Å; F420-L422 HydrophobicContact CE2-CD1 4.38Å; L422-A426 HydrophobicContact CD1-CB 4.28Å; L422-A426 HydrophobicContact CD2-CB 3.65Å; L422-A426 HydrophobicContact CG-CB 3.7Å; L422-V429 HydrophobicContact CD1-CG1 3.84Å; L422-V429 HydrophobicContact CD2-CG1 3.77Å; L422-V429 HydrophobicContact CG-CG1 4.5Å; L422-V447 HydrophobicContact CD2-CG1 4.23Å; L422-V447 HydrophobicContact CD2-CG2 3.78Å
423P83.6Confident87.8Confident63 Ų6354.5 Ų54.541%0.40928%0.284SS..EExtended strand (participates in β ladder)trans-64.2139.8174.8-22.333.9000112G425 A426P423-G425 PolarHBondContact O-N 2.97Å; P423-A426 WeakPolarHBondContact O-CB 3.47Å; P423-A426 PolarHBondContact O-N 2.04Å
424R75.5Confident87.8Confident107 Ų10753.7 Ų53.740%0.40428%0.28SS..THydrogen-bonded Turntrans-54.3-23.5-174.3-71-174.4174.6-149.1-7.1115.9Q449R424-Q449 PolarHBondContact O-NE2 3.03Å
425G75.8Confident87.9Confident71 Ų7148 Ų4873%0.73225%0.251SS*.THydrogen-bonded Turntrans-88.4-4177.100000115.7P423 R427P423-G425 PolarHBondContact O-N 2.97Å; G425-R427 PolarHBondContact O-N 3.18Å
426A81.8Confident87.9Confident17 Ų1747.5 Ų47.514%0.1426%0.26CS..  trans-80.6117.2-17900000111L422 P423L422-A426 HydrophobicContact CD1-CB 4.28Å; L422-A426 HydrophobicContact CD2-CB 3.65Å; L422-A426 HydrophobicContact CG-CB 3.7Å; P423-A426 WeakPolarHBondContact O-CB 3.47Å; P423-A426 PolarHBondContact O-N 2.04Å
427R82.5Confident87.9Confident213 Ų21345.8 Ų45.880%0.80426%0.257SS*.  trans-89.5-16.7-174.9-61.4-172.4-177.8-163.51115.1G425 V447G425-R427 PolarHBondContact O-N 3.18Å; R427-V447 PolarHBondContact O-N 2.87Å
428K87.4Confident87.8Confident75 Ų7545.1 Ų45.133%0.32626%0.262SS..EExtended strand (participates in β ladder)trans-148.6154.3-174.4-54.5-162.4-174.2-155.90111.9E444 V445 E446K428-E444 HydrophobicContact CD-CG 3.85Å; K428-E444 WeakPolarHBondContact CD-OE1 3.07Å; K428-E444 WeakPolarHBondContact CE-OE1 3.49Å; K428-E444 IonicContact NZ-OE1 2.7Å; K428-E444 PolarHBondContact NZ-OE1 3.06Å; K428-V445 CarbonylContact C-O 3.53Å; K428-V445 VanDerWaalsContact CA-O 3.24Å; K428-V445 WeakPolarHBondContact CA-O 3.36Å; K428-E446 HydrophobicContact CD-CG 4.13Å; K428-E446 WeakPolarHBondContact CE-OE1 3.34Å; K428-E446 HydrophobicContact CG-CG 4.34Å; K428-E446 IonicContact NZ-OE1 2.66Å; K428-E446 PolarHBondContact NZ-OE1 2.86Å
429V91.1Very high87.8Confident0 Ų048 Ų480%028%0.279CS..EExtended strand (participates in β ladder)trans-131.8167.4166.9-61.90000109.9V398 L410 F420 L422 V445 V447V398-V429 HydrophobicContact CG1-CB 4.32Å; V398-V429 HydrophobicContact CG1-CG2 4.28Å; L410-V429 HydrophobicContact CD1-CG1 3.95Å; F420-V429 HydrophobicContact CE2-CG1 4.09Å; F420-V429 HydrophobicContact CZ-CG1 4.34Å; F420-V429 HydrophobicContact CZ-CG2 4.22Å; L422-V429 HydrophobicContact CD1-CG1 3.84Å; L422-V429 HydrophobicContact CD2-CG1 3.77Å; L422-V429 HydrophobicContact CG-CG1 4.5Å; V429-V445 HydrophobicContact CG2-CB 3.93Å; V429-V445 HydrophobicContact CG2-CG1 4.47Å; V429-V445 PolarHBondContact N-O 3.33Å; V429-V445 PolarHBondContact O-N 3.26Å; V429-V447 HydrophobicContact CG1-CG2 4.19Å
430F91.6Very high87.9Confident28 Ų2845.2 Ų45.212%0.12326%0.263CS..EExtended strand (participates in β ladder)trans-118.4135.2179.1-61.6-81.2000110.2V398 S399 R402 P442 T443 E444V398-F430 CarbonylContact C-O 3.59Å; V398-F430 WeakPolarHBondContact CA-O 3.44Å; S399-F430 PolarHBondContact N-O 3.12Å; S399-F430 PolarHBondContact O-N 3.38Å; R402-F430 HydrophobicContact CB-CD1 4.39Å; R402-F430 HydrophobicContact CB-CD2 4.46Å; R402-F430 HydrophobicContact CB-CE1 4.12Å; R402-F430 HydrophobicContact CB-CE2 4.19Å; R402-F430 HydrophobicContact CB-CZ 4.01Å; R402-F430 HydrophobicContact CG-CD1 4.19Å; R402-F430 HydrophobicContact CG-CE1 3.96Å; R402-F430 HydrophobicContact CG-CZ 4.33Å; F430-P442 HydrophobicContact CB-CB 4.02Å; F430-P442 HydrophobicContact CD1-CB 4.08Å; F430-P442 HydrophobicContact CG-CB 4.41Å; F430-T443 CarbonylContact C-O 3.59Å; F430-T443 WeakPolarHBondContact CA-O 3.48Å; F430-E444 HydrophobicContact CD1-CB 4.3Å; F430-E444 HydrophobicContact CD1-CG 4.47Å; F430-E444 HydrophobicContact CE1-CB 4.13Å; F430-E444 HydrophobicContact CE1-CG 3.93Å
431L92.6Very high87.8Confident0 Ų048.4 Ų48.40%029%0.286CS..EExtended strand (participates in β ladder)trans-120.1124.4178.9173.868.7000109.3L360 W381 V397 V398 T443 V445L360-L431 HydrophobicContact CB-CD2 4Å; L360-L431 HydrophobicContact CD1-CD2 3.71Å; L360-L431 HydrophobicContact CD1-CG 3.82Å; W381-L431 HydrophobicContact CB-CD2 3.68Å; W381-L431 HydrophobicContact CD2-CD1 3.93Å; W381-L431 HydrophobicContact CD2-CD2 3.75Å; W381-L431 HydrophobicContact CE3-CD1 3.96Å; W381-L431 HydrophobicContact CE3-CD2 3.92Å; W381-L431 HydrophobicContact CG-CD2 3.67Å; W381-L431 HydrophobicContact CH2-CD1 4.26Å; W381-L431 HydrophobicContact CZ2-CD1 4.22Å; W381-L431 HydrophobicContact CZ3-CD1 4.14Å; V397-L431 WeakPolarHBondContact O-CA 3.21Å; V398-L431 HydrophobicContact CG2-CD1 4Å; L431-T443 PolarHBondContact N-O 3.46Å; L431-T443 WeakPolarHBondContact O-CB 3.39Å; L431-T443 PolarHBondContact O-N 2.65Å; L431-V445 HydrophobicContact CB-CG2 4.1Å
432S92.2Very high87.9Confident3 Ų346 Ų462%0.02128%0.278CS..EExtended strand (participates in β ladder)trans-129.7154.6174.858.20000112Y396 V397 S440Y396-S432 WeakPolarHBondContact CA-O 3.1Å; V397-S432 PolarHBondContact N-O 3.43Å; V397-S432 PolarHBondContact O-N 2.68Å; S432-S440 WeakPolarHBondContact CA-OG 3.36Å; S432-S440 WeakPolarHBondContact CB-OG 3.43Å
433A93.3Very high88.1Confident0 Ų046.5 Ų46.50%028%0.282CS..EExtended strand (participates in β ladder)trans-108.8138.9174.700000109.9P356 F387 I393 Y396 T439 S440P356-A433 HydrophobicContact CB-CB 4.33Å; P356-A433 HydrophobicContact CG-CB 4.31Å; F387-A433 HydrophobicContact CE2-CB 4.24Å; F387-A433 HydrophobicContact CZ-CB 3.92Å; I393-A433 HydrophobicContact CD1-CB 4.28Å; Y396-A433 HydrophobicContact CD1-CB 3.79Å; Y396-A433 HydrophobicContact CE1-CB 3.68Å; A433-T439 CarbonylContact O-C 3.16Å; A433-T439 WeakPolarHBondContact O-CA 3.47Å; A433-S440 PolarHBondContact N-OG 3.19Å; A433-S440 PolarHBondContact O-N 3.04Å
434G92.1Very high88.4Confident6 Ų647.9 Ų47.96%0.06228%0.283CS..EExtended strand (participates in β ladder)trans-113.4140.3176.500000112.7I393 L394 S395 G438I393-G434 WeakPolarHBondContact CA-O 3.27Å; L394-G434 PolarHBondContact N-O 3.19Å; S395-G434 PolarHBondContact N-O 3.18Å; S395-G434 PolarHBondContact O-N 2.85Å; G434-G438 WeakPolarHBondContact CA-O 3.41Å
435N92.3Very high89.1Confident12 Ų1243 Ų436%0.06427%0.265CS..EExtended strand (participates in β ladder)trans-124.9-172.1163.367.816.1000110R354 P356 A389 K392 A437 G438R354-N435 PolarHBondContact O-ND2 2.88Å; P356-N435 HydrophobicContact CG-CB 4.21Å; A389-N435 PolarHBondContact O-ND2 2.86Å; K392-N435 WeakPolarHBondContact O-CA 3.26Å; K392-N435 WeakPolarHBondContact O-CB 3.48Å; N435-A437 PolarHBondContact O-N 2.63Å; N435-A437 WeakPolarHBondContact OD1-CA 3.44Å; N435-A437 PolarHBondContact OD1-N 2.84Å; N435-G438 PolarHBondContact N-O 3.35Å; N435-G438 PolarHBondContact O-N 2.95Å; N435-G438 PolarHBondContact OD1-N 3.25Å; N435-G438 VanDerWaalsContact OD1-N 3.15Å; N435-G438 PolarHBondContact OD1-O 2.8Å
436A90.3Very high89.5Confident82 Ų8243.5 Ų43.568%0.67825%0.248SC*.THydrogen-bonded Turntrans-67.3-25.3-177.200000113E353 L394E353-A436 WeakPolarHBondContact OE2-CB 3.38Å; E353-A436 PolarHBondContact OE2-N 3.14Å; L394-A436 HydrophobicContact CD1-CB 4.15Å
437A88.8Confident89.5Confident51 Ų5143.4 Ų43.442%0.42125%0.246SC..THydrogen-bonded Turntrans-86-7.4176.800000114.5E353 N435E353-A437 HydrophobicContact CB-CB 3.79Å; N435-A437 PolarHBondContact O-N 2.63Å; N435-A437 WeakPolarHBondContact OD1-CA 3.44Å; N435-A437 PolarHBondContact OD1-N 2.84Å
438G90.1Very high89.2Confident28 Ų2835 Ų3529%0.28922%0.215SC..EExtended strand (participates in β ladder)trans137.6-168.417200000114.8P356 G434 N435P356-G438 VanDerWaalsContact CD-O 3.3Å; P356-G438 WeakPolarHBondContact CD-O 3.42Å; G434-G438 WeakPolarHBondContact CA-O 3.41Å; N435-G438 PolarHBondContact N-O 3.35Å; N435-G438 PolarHBondContact O-N 2.95Å; N435-G438 PolarHBondContact OD1-N 3.25Å; N435-G438 VanDerWaalsContact OD1-N 3.15Å; N435-G438 PolarHBondContact OD1-O 2.8Å
439T89.7Confident88.3Confident80 Ų8035.6 Ų35.649%0.49122%0.219SC..EExtended strand (participates in β ladder)trans-99.7146.2-178.755.40000112.8A433A433-T439 CarbonylContact O-C 3.16Å; A433-T439 WeakPolarHBondContact O-CA 3.47Å
440S91.4Very high87Confident9 Ų939.7 Ų39.76%0.06324%0.238CC..PPolyproline II helixtrans-62.9164.7174.577.50000113.2P356 S432 A433P356-S440 WeakPolarHBondContact O-CA 3.39Å; P356-S440 WeakPolarHBondContact O-CB 3.45Å; S432-S440 WeakPolarHBondContact CA-OG 3.36Å; S432-S440 WeakPolarHBondContact CB-OG 3.43Å; A433-S440 PolarHBondContact N-OG 3.19Å; A433-S440 PolarHBondContact O-N 3.04Å
441S89.2Confident85.7Confident76 Ų7644.5 Ų44.553%0.53126%0.255SS..PPolyproline II helixtrans-55.4139.3157.642.40000109.7T443S441-T443 PolarHBondContact O-N 3.15Å
442P89.4Confident84.3Confident43 Ų4349.4 Ų49.428%0.27930%0.296SS..PPolyproline II helixtrans-71.1124.1-179.427.2-33.9000110.4R402 F430R402-P442 HydrophobicContact CG-CG 3.65Å; F430-P442 HydrophobicContact CB-CB 4.02Å; F430-P442 HydrophobicContact CD1-CB 4.08Å; F430-P442 HydrophobicContact CG-CB 4.41Å
443T90.3Very high83.4Confident13 Ų1352 Ų528%0.0831%0.309CS..EExtended strand (participates in β ladder)trans-72.8126165.8-60.50000108.2L360 F430 L431 S441 V445L360-T443 PolarHBondContact N-OG1 2.71Å; L360-T443 WeakPolarHBondContact O-CG2 3.48Å; F430-T443 CarbonylContact C-O 3.59Å; F430-T443 WeakPolarHBondContact CA-O 3.48Å; L431-T443 PolarHBondContact N-O 3.46Å; L431-T443 WeakPolarHBondContact O-CB 3.39Å; L431-T443 PolarHBondContact O-N 2.65Å; S441-T443 PolarHBondContact O-N 3.15Å; T443-V445 HydrophobicContact CG2-CG2 4.49Å
444E89.8Confident82.7Confident91 Ų9155 Ų5543%0.42533%0.334SS..EExtended strand (participates in β ladder)trans-85121.1177.4-173.3173.1152.800109.3K428 F430K428-E444 HydrophobicContact CD-CG 3.85Å; K428-E444 WeakPolarHBondContact CD-OE1 3.07Å; K428-E444 WeakPolarHBondContact CE-OE1 3.49Å; K428-E444 IonicContact NZ-OE1 2.7Å; K428-E444 PolarHBondContact NZ-OE1 3.06Å; F430-E444 HydrophobicContact CD1-CB 4.3Å; F430-E444 HydrophobicContact CD1-CG 4.47Å; F430-E444 HydrophobicContact CE1-CB 4.13Å; F430-E444 HydrophobicContact CE1-CG 3.93Å
445V88.9Confident82.4Confident6 Ų656.3 Ų56.34%0.03635%0.345CS..EExtended strand (participates in β ladder)trans-114.1125.4-178-172.20000108.9M364 L379 K428 V429 L431 T443M364-V445 HydrophobicContact CE-CG1 3.55Å; L379-V445 HydrophobicContact CD1-CG1 3.85Å; K428-V445 CarbonylContact C-O 3.53Å; K428-V445 VanDerWaalsContact CA-O 3.24Å; K428-V445 WeakPolarHBondContact CA-O 3.36Å; V429-V445 HydrophobicContact CG2-CB 3.93Å; V429-V445 HydrophobicContact CG2-CG1 4.47Å; V429-V445 PolarHBondContact N-O 3.33Å; V429-V445 PolarHBondContact O-N 3.26Å; L431-V445 HydrophobicContact CB-CG2 4.1Å; T443-V445 HydrophobicContact CG2-CG2 4.49Å
446E85.3Confident82.2Confident81 Ų8156 Ų5638%0.37934%0.343SS..EExtended strand (participates in β ladder)trans-88.4129.8-178.6-58.5-168130.600110.9M364 K428 F448M364-E446 WeakPolarHBondContact CE-O 3.48Å; K428-E446 HydrophobicContact CD-CG 4.13Å; K428-E446 WeakPolarHBondContact CE-OE1 3.34Å; K428-E446 HydrophobicContact CG-CG 4.34Å; K428-E446 IonicContact NZ-OE1 2.66Å; K428-E446 PolarHBondContact NZ-OE1 2.86Å; E446-F448 HydrophobicContact CB-CD2 4.42Å; E446-F448 HydrophobicContact CB-CE1 4.18Å; E446-F448 HydrophobicContact CB-CE2 3.72Å; E446-F448 HydrophobicContact CB-CZ 3.57Å; E446-F448 HydrophobicContact CG-CZ 4.48Å; E446-F448 WeakPolarHBondContact O-CD2 3.3Å; E446-F448 PolarHBondContact O-N 2.87Å; E446-F448 WeakPolarHBondContact OE2-CZ 3.25Å
447V82.3Confident82.1Confident15 Ų1555.1 Ų55.19%0.09133%0.332CS..  trans-90.289.1-177-179.10000108.5M364 L377 L422 R427 V429M364-V447 HydrophobicContact CE-CB 4.45Å; M364-V447 HydrophobicContact CE-CG2 4.07Å; M364-V447 HydrophobicContact SD-CB 4.32Å; M364-V447 HydrophobicContact SD-CG1 4.15Å; M364-V447 HydrophobicContact SD-CG2 4.41Å; L377-V447 HydrophobicContact CD1-CG1 3.75Å; L377-V447 HydrophobicContact CD1-CG2 4.32Å; L377-V447 HydrophobicContact CD2-CG1 4.44Å; L422-V447 HydrophobicContact CD2-CG1 4.23Å; L422-V447 HydrophobicContact CD2-CG2 3.78Å; R427-V447 PolarHBondContact O-N 2.87Å; V429-V447 HydrophobicContact CG1-CG2 4.19Å
448F74.6Confident82.1Confident36 Ų3657.1 Ų57.116%0.15834%0.336CS..  trans-79.1129.2174.2-56.5-72.7000110E446 I535E446-F448 HydrophobicContact CB-CD2 4.42Å; E446-F448 HydrophobicContact CB-CE1 4.18Å; E446-F448 HydrophobicContact CB-CE2 3.72Å; E446-F448 HydrophobicContact CB-CZ 3.57Å; E446-F448 HydrophobicContact CG-CZ 4.48Å; E446-F448 WeakPolarHBondContact O-CD2 3.3Å; E446-F448 PolarHBondContact O-N 2.87Å; E446-F448 WeakPolarHBondContact OE2-CZ 3.25Å; F448-I535 HydrophobicContact CB-CB 4.3Å; F448-I535 HydrophobicContact CB-CD1 3.64Å; F448-I535 HydrophobicContact CB-CG1 3.66Å; F448-I535 HydrophobicContact CD2-CD1 3.72Å; F448-I535 HydrophobicContact CD2-CG1 3.99Å; F448-I535 HydrophobicContact CG-CD1 3.93Å; F448-I535 HydrophobicContact CG-CG1 3.83Å
449Q68.4Low82.2Confident88 Ų8856 Ų5641%0.41132%0.323SS..  trans-89.5142.5166.3-65.9171.85.500108L375 R424 R451L375-Q449 HydrophobicContact CD2-CG 4.43Å; R424-Q449 PolarHBondContact O-NE2 3.03Å; Q449-R451 PolarHBondContact O-N 2.95Å
450H65.1Low82.3Confident85 Ų8556.7 Ų56.739%0.39432%0.324SS..BIsolated β-bridgetrans-62.1109.2166.8-70.1-67.9000108.4Y528 G536H450-Y528 AromaticContact CE1-CE1 3.84Å; H450-G536 PolarHBondContact ND1-O 2.91Å
451R64.3Low82.5Confident129 Ų12957.5 Ų57.549%0.48733%0.328SS..  trans-92.8155.6165.9-64.7-174.1-172.7-174.49.9107.5Q449 L453 D533Q449-R451 PolarHBondContact O-N 2.95Å; R451-L453 HydrophobicContact CB-CD1 4Å; R451-L453 HydrophobicContact CB-CG 3.84Å; R451-L453 PolarHBondContact O-N 3.25Å; R451-D533 PolarHBondContact NE-O 3.4Å; R451-D533 PolarHBondContact NH2-O 2.91Å
452A63Low82.6Confident103 Ų10357.9 Ų57.985%0.85132%0.324SS*.SBendtrans-7265.5170.500000110.6
453L73.1Confident82.7Confident57 Ų5759.9 Ų59.930%0.29834%0.337SS..PPolyproline II helixtrans-101.8151.7171.2-59.2169.6000107.8R451 Y531 L537R451-L453 HydrophobicContact CB-CD1 4Å; R451-L453 HydrophobicContact CB-CG 3.84Å; R451-L453 PolarHBondContact O-N 3.25Å; L453-Y531 HydrophobicContact CB-CD2 4.01Å; L453-Y531 HydrophobicContact CB-CE2 3.74Å; L453-Y531 HydrophobicContact CD1-CD2 3.63Å; L453-Y531 HydrophobicContact CD1-CE2 4.25Å; L453-Y531 HydrophobicContact CD1-CG 3.8Å; L453-Y531 HydrophobicContact CG-CD2 4.43Å; L453-L537 PolarHBondContact O-N 2.87Å
454A79.2Confident82.8Confident63 Ų6364.7 Ų64.752%0.52136%0.358SS..PPolyproline II helixtrans-52.7146.7-17600000112.7P529 Y531A454-P529 VanDerWaalsContact O-CG 3.28Å; A454-P529 WeakPolarHBondContact O-CG 3.47Å; A454-Y531 PolarHBondContact O-OH 2.98Å
455A85.4Confident82.8Confident35 Ų3564.9 Ų64.929%0.28936%0.362SS..PPolyproline II helixtrans-74.7172.2163.900000110.4I476 L537A455-I476 WeakPolarHBondContact O-CD1 3.43Å; A455-L537 VanDerWaalsContact CA-O 3.29Å; A455-L537 WeakPolarHBondContact CA-O 3.28Å; A455-L537 HydrophobicContact CB-CB 4.25Å; A455-L537 WeakPolarHBondContact CB-O 3.27Å
456V88.5Confident82.8Confident4 Ų468.9 Ų68.92%0.02438%0.381CS..PPolyproline II helixtrans-70.3161.3155.7-69.80000109.6V459 W473 I476 Y484 V527 P529 Q539V456-V459 HydrophobicContact CG2-CG2 3.48Å; V456-V459 VanDerWaalsContact CG2-CG2 3.48Å; V456-W473 HydrophobicContact CB-CB 4.43Å; V456-W473 HydrophobicContact CG1-CG 4.44Å; V456-I476 HydrophobicContact CG1-CD1 3.95Å; V456-I476 HydrophobicContact CG1-CG1 4.25Å; V456-Y484 HydrophobicContact CG1-CD1 3.78Å; V456-Y484 HydrophobicContact CG1-CE1 3.6Å; V456-V527 HydrophobicContact CG1-CG1 4.28Å; V456-V527 HydrophobicContact CG2-CB 3.91Å; V456-V527 HydrophobicContact CG2-CG1 3.84Å; V456-P529 HydrophobicContact CG1-CB 4.2Å; V456-P529 HydrophobicContact CG1-CG 4.38Å; V456-Q539 HydrophobicContact CG2-CB 3.94Å; V456-Q539 PolarHBondContact O-OE1 3.39Å
457S87.6Confident83.1Confident65 Ų6571 Ų7146%0.45539%0.385SS..EExtended strand (participates in β ladder)trans-110.2161.1170.8-57.90000110.3V459 T474S457-V459 VanDerWaalsContact C-N 3.25Å; S457-V459 PolarHBondContact O-N 2.84Å; S457-V459 VanDerWaalsContact O-N 3.16Å; S457-T474 PolarHBondContact O-N 2.86Å
458D87.9Confident83.7Confident93 Ų9370.4 Ų70.450%0.49738%0.381SS..EExtended strand (participates in β ladder)trans56.534.3166.5-36.5-55.8000114.2N460 T474D458-N460 PolarHBondContact O-N 2.8Å; D458-T474 VanDerWaalsContact OD2-CB 3.28Å; D458-T474 WeakPolarHBondContact OD2-CB 3.44Å; D458-T474 PolarHBondContact OD2-OG1 3.4Å
459V92.9Very high84.7Confident5 Ų568.7 Ų68.73%0.0337%0.374CS..EExtended strand (participates in β ladder)trans-59.1111.4169176.90000109.4V456 S457 V471 Q472 W473 V527 Q539 V541V456-V459 HydrophobicContact CG2-CG2 3.48Å; V456-V459 VanDerWaalsContact CG2-CG2 3.48Å; S457-V459 VanDerWaalsContact C-N 3.25Å; S457-V459 PolarHBondContact O-N 2.84Å; S457-V459 VanDerWaalsContact O-N 3.16Å; V459-V471 HydrophobicContact CG1-CG1 4.35Å; V459-Q472 CarbonylContact C-O 3.55Å; V459-Q472 VanDerWaalsContact CA-O 3.25Å; V459-Q472 WeakPolarHBondContact CA-O 3.5Å; V459-W473 HydrophobicContact CG2-CB 3.84Å; V459-V527 HydrophobicContact CG1-CG2 3.86Å; V459-V527 HydrophobicContact CG2-CB 3.87Å; V459-V527 HydrophobicContact CG2-CG2 3.81Å; V459-Q539 HydrophobicContact CB-CB 4.38Å; V459-Q539 HydrophobicContact CB-CG 3.94Å; V459-Q539 HydrophobicContact CG2-CB 3.79Å; V459-Q539 HydrophobicContact CG2-CG 3.9Å; V459-Q539 VanDerWaalsContact N-OE1 3.08Å; V459-V541 HydrophobicContact CB-CG2 4.16Å; V459-V541 HydrophobicContact CG1-CG2 3.8Å
460N92.6Very high86Confident93 Ų9366.6 Ų66.650%0.49737%0.365SS..EExtended strand (participates in β ladder)trans-113.4144.1172.1-72.2-45.2000109D458 Q472D458-N460 PolarHBondContact O-N 2.8Å; N460-Q472 PolarHBondContact N-O 3.37Å; N460-Q472 PolarHBondContact O-N 2.99Å
461V93.8Very high87.4Confident27 Ų2762.5 Ų62.516%0.16435%0.347CS..EExtended strand (participates in β ladder)trans-124.6123.3173.3-170.70000108.7L469 L470 V471 I525 V541 A543V461-L469 HydrophobicContact CG1-CB 3.94Å; V461-L469 HydrophobicContact CG1-CD1 4.31Å; V461-L469 HydrophobicContact CG1-CD2 4.12Å; V461-L469 HydrophobicContact CG1-CG 4.36Å; V461-L470 WeakPolarHBondContact CA-O 3.28Å; V461-V471 HydrophobicContact CG1-CG2 4.33Å; V461-V471 HydrophobicContact CG2-CG1 4.39Å; V461-V471 HydrophobicContact CG2-CG2 4.41Å; V461-I525 HydrophobicContact CB-CD1 4.47Å; V461-I525 HydrophobicContact CG1-CD1 3.73Å; V461-I525 HydrophobicContact CG2-CB 4.44Å; V461-I525 HydrophobicContact CG2-CD1 4.02Å; V461-I525 HydrophobicContact CG2-CG2 4.38Å; V461-V541 HydrophobicContact CG2-CB 4.32Å; V461-V541 HydrophobicContact CG2-CG1 4.21Å; V461-A543 HydrophobicContact CB-CB 3.91Å; V461-A543 HydrophobicContact CG1-CB 3.66Å; V461-A543 HydrophobicContact CG2-CB 4.4Å
462L92.6Very high88.9Confident83 Ų8359.8 Ų59.844%0.43534%0.339SS..EExtended strand (participates in β ladder)trans-115.3140.7-178.8-58.4175.8000109.9L470L462-L470 PolarHBondContact N-O 3.32Å; L462-L470 PolarHBondContact O-N 3.23Å
463P91.9Very high90.4Very high86 Ų8655.4 Ų55.456%0.55830%0.301SS*.EExtended strand (participates in β ladder)trans-65.5140.9167.830.4-34.4000110S545P463-S545 VanDerWaalsContact CB-O 3.28Å; P463-S545 WeakPolarHBondContact CB-O 3.33Å
464H90.8Very high91.2Very high113 Ų11355.9 Ų55.952%0.52331%0.306SS..EExtended strand (participates in β ladder)trans-115.7-57.4175.2-173.164.3000109.8S468 L470 L512H464-S468 WeakPolarHBondContact CB-OG 3.45Å; H464-S468 PolarHBondContact N-O 2.85Å; H464-L470 HydrophobicContact CB-CB 4.5Å; H464-L512 HydrophobicContact CB-CD1 3.77Å
465D89.6Confident91.5Very high95 Ų9554.2 Ų54.251%0.50829%0.291SS..EExtended strand (participates in β ladder)trans-124.1179.4169.4-44.4-75.1000110.7R467 S468D465-R467 PolarHBondContact O-N 3.34Å; D465-S468 VanDerWaalsContact CB-OG 3.27Å; D465-S468 WeakPolarHBondContact CB-OG 3.15Å; D465-S468 VanDerWaalsContact CG-OG 3.25Å; D465-S468 PolarHBondContact N-OG 2.84Å; D465-S468 PolarHBondContact O-N 3.04Å; D465-S468 WeakPolarHBondContact OD2-CB 3.46Å; D465-S468 PolarHBondContact OD2-OG 3.18Å
466E89.8Confident91.4Very high91 Ų9154.1 Ų54.143%0.42529%0.285SS..THydrogen-bonded Turntrans-57.7-23.6175.1-47.1-158.6155.100114S545 R546E466-S545 VanDerWaalsContact O-CB 3.32Å; E466-S545 WeakPolarHBondContact O-CB 3.37Å; E466-S545 PolarHBondContact O-OG 2.57Å; E466-R546 HydrophobicContact CB-CG 4.26Å; E466-R546 VanDerWaalsContact CD-NH1 3.31Å; E466-R546 HydrophobicContact CG-CG 4.4Å; E466-R546 IonicContact OE1-CZ 3.57Å; E466-R546 IonicContact OE1-NH1 3.61Å; E466-R546 PolarHBondContact OE1-NH1 2.92Å; E466-R546 IonicContact OE1-NH2 3.33Å; E466-R546 PolarHBondContact OE1-NH2 2.71Å
467R92.8Very high90.7Very high125 Ų12562.5 Ų62.547%0.47232%0.324SS..THydrogen-bonded Turntrans-129.724.5-172.9-67.2173165.9-79.6-10.3112.2D465 E518D465-R467 PolarHBondContact O-N 3.34Å; R467-E518 IonicContact CZ-OE1 2.68Å; R467-E518 IonicContact CZ-OE2 3.14Å; R467-E518 IonicContact NH1-OE1 2.7Å; R467-E518 PolarHBondContact NH1-OE1 3.47Å; R467-E518 IonicContact NH1-OE2 3.36Å; R467-E518 PolarHBondContact NH1-OE2 3.42Å; R467-E518 IonicContact NH2-OE1 2.77Å; R467-E518 IonicContact NH2-OE2 3.49Å; R467-E518 PolarHBondContact NH2-OE2 2.88Å
468S94.1Very high90.3Very high2 Ų261.6 Ų61.61%0.01432%0.317CS..EExtended strand (participates in β ladder)trans-148.4147.8178.772.70000112.7H464 D465 I513H464-S468 WeakPolarHBondContact CB-OG 3.45Å; H464-S468 PolarHBondContact N-O 2.85Å; D465-S468 VanDerWaalsContact CB-OG 3.27Å; D465-S468 WeakPolarHBondContact CB-OG 3.15Å; D465-S468 VanDerWaalsContact CG-OG 3.25Å; D465-S468 PolarHBondContact N-OG 2.84Å; D465-S468 PolarHBondContact O-N 3.04Å; D465-S468 WeakPolarHBondContact OD2-CB 3.46Å; D465-S468 PolarHBondContact OD2-OG 3.18Å; S468-I513 CarbonylContact C-O 3.53Å; S468-I513 VanDerWaalsContact CA-O 3.28Å; S468-I513 WeakPolarHBondContact CA-O 3.45Å
469L94.9Very high89.8Confident1 Ų161.5 Ų61.51%0.00532%0.324CS..EExtended strand (participates in β ladder)trans-130.6129.2-178.7-69.8173.5000109.7V461 I513 I517 I525 A543V461-L469 HydrophobicContact CG1-CB 3.94Å; V461-L469 HydrophobicContact CG1-CD1 4.31Å; V461-L469 HydrophobicContact CG1-CD2 4.12Å; V461-L469 HydrophobicContact CG1-CG 4.36Å; L469-I513 HydrophobicContact CB-CD1 4.26Å; L469-I513 HydrophobicContact CB-CG1 3.8Å; L469-I513 PolarHBondContact N-O 3.37Å; L469-I513 WeakPolarHBondContact O-CG1 3.29Å; L469-I513 PolarHBondContact O-N 3.29Å; L469-I517 HydrophobicContact CD1-CD1 4.44Å; L469-I517 HydrophobicContact CD1-CG2 4.44Å; L469-I517 HydrophobicContact CG-CG2 4.4Å; L469-I525 HydrophobicContact CD1-CD1 3.79Å; L469-A543 HydrophobicContact CD1-CB 4.05Å
470L95.5Very high89.4Confident43 Ų4363.3 Ų63.323%0.22534%0.337CS..EExtended strand (participates in β ladder)trans-93108.8174.3178.760.8000109V461 L462 H464 Q472 L512V461-L470 WeakPolarHBondContact CA-O 3.28Å; L462-L470 PolarHBondContact N-O 3.32Å; L462-L470 PolarHBondContact O-N 3.23Å; H464-L470 HydrophobicContact CB-CB 4.5Å; L470-Q472 HydrophobicContact CD2-CG 4.48Å; L470-Q472 HydrophobicContact CG-CG 4.02Å; L470-L512 HydrophobicContact CB-CD1 4.3Å
471V95.9Very high89.1Confident0 Ų059 Ų590%031%0.314CS..EExtended strand (participates in β ladder)trans-90.9131175.6-171.60000108.3V459 V461 W473 V486 S510 T511 I513 I525 V527V459-V471 HydrophobicContact CG1-CG1 4.35Å; V461-V471 HydrophobicContact CG1-CG2 4.33Å; V461-V471 HydrophobicContact CG2-CG1 4.39Å; V461-V471 HydrophobicContact CG2-CG2 4.41Å; V471-W473 HydrophobicContact CB-CZ3 4.34Å; V471-W473 HydrophobicContact CG1-CE3 4.02Å; V471-W473 HydrophobicContact CG1-CZ3 4.02Å; V471-V486 HydrophobicContact CG1-CG1 4.44Å; V471-V486 HydrophobicContact CG2-CG1 4.39Å; V471-S510 CarbonylContact O-C 3.58Å; V471-S510 WeakPolarHBondContact O-CA 3.18Å; V471-S510 VanDerWaalsContact O-CB 3.31Å; V471-S510 WeakPolarHBondContact O-CB 3.48Å; V471-T511 HydrophobicContact CB-CG2 4.33Å; V471-T511 PolarHBondContact N-O 2.98Å; V471-T511 PolarHBondContact O-N 3.5Å; V471-I513 HydrophobicContact CG2-CD1 4.21Å; V471-I513 HydrophobicContact CG2-CG1 4.35Å; V471-I525 HydrophobicContact CG1-CG2 4.18Å; V471-I525 HydrophobicContact CG2-CD1 4.36Å; V471-I525 HydrophobicContact CG2-CG2 3.95Å; V471-V527 HydrophobicContact CG1-CG2 3.83Å
472Q95.1Very high88.8Confident71 Ų7160.5 Ų60.533%0.33232%0.323SS..EExtended strand (participates in β ladder)trans-133.7149.5179.8-54.6-172.1-37.300109.8V459 N460 L470 S509V459-Q472 CarbonylContact C-O 3.55Å; V459-Q472 VanDerWaalsContact CA-O 3.25Å; V459-Q472 WeakPolarHBondContact CA-O 3.5Å; N460-Q472 PolarHBondContact N-O 3.37Å; N460-Q472 PolarHBondContact O-N 2.99Å; L470-Q472 HydrophobicContact CD2-CG 4.48Å; L470-Q472 HydrophobicContact CG-CG 4.02Å; Q472-S509 WeakPolarHBondContact CA-O 3.49Å
473W94Very high88.8Confident11 Ų1156.8 Ų56.84%0.04230%0.304CS..EExtended strand (participates in β ladder)trans-154.1160.417858.494.9000112.1V456 V459 V471 S475 Y484 V486 I504 S509 T511 V527V456-W473 HydrophobicContact CB-CB 4.43Å; V456-W473 HydrophobicContact CG1-CG 4.44Å; V459-W473 HydrophobicContact CG2-CB 3.84Å; V471-W473 HydrophobicContact CB-CZ3 4.34Å; V471-W473 HydrophobicContact CG1-CE3 4.02Å; V471-W473 HydrophobicContact CG1-CZ3 4.02Å; W473-S475 PolarHBondContact O-N 2.67Å; W473-Y484 AromaticContact CE2-CD2 3.95Å; W473-Y484 AromaticContact CE2-CG 3.98Å; W473-Y484 AromaticContact CZ2-CD2 3.77Å; W473-Y484 HydrophobicContact CZ2-CD2 3.77Å; W473-Y484 HydrophobicContact CZ2-CE2 4.45Å; W473-Y484 AromaticContact CZ2-CG 3.94Å; W473-Y484 HydrophobicContact CZ2-CG 3.94Å; W473-Y484 AromaticContact NE1-CD1 3.64Å; W473-Y484 AromaticContact NE1-CD2 3.54Å; W473-Y484 AromaticContact NE1-CE1 3.64Å; W473-Y484 AromaticContact NE1-CE2 3.51Å; W473-Y484 AromaticContact NE1-CG 3.61Å; W473-Y484 AromaticContact NE1-CZ 3.58Å; W473-V486 HydrophobicContact CH2-CG2 3.91Å; W473-V486 HydrophobicContact CZ3-CG2 3.95Å; W473-I504 HydrophobicContact CH2-CB 4.49Å; W473-I504 HydrophobicContact CH2-CG1 4.33Å; W473-I504 HydrophobicContact CH2-CG2 4.02Å; W473-I504 HydrophobicContact CZ2-CG2 3.99Å; W473-S509 PolarHBondContact N-O 2.74Å; W473-S509 WeakPolarHBondContact O-CB 3.5Å; W473-T511 HydrophobicContact CH2-CG2 4.31Å; W473-T511 HydrophobicContact CZ3-CG2 4.24Å; W473-V527 HydrophobicContact CD2-CG1 3.96Å; W473-V527 HydrophobicContact CE3-CG1 4.2Å; W473-V527 HydrophobicContact CE3-CG2 4.28Å; W473-V527 HydrophobicContact CG-CG1 4.25Å
474T90.8Very high88.8Confident67 Ų6752.8 Ų52.841%0.41128%0.278SS..EExtended strand (participates in β ladder)trans-73.6124.4171.6-68.40000110.3S457 D458S457-T474 PolarHBondContact O-N 2.86Å; D458-T474 VanDerWaalsContact OD2-CB 3.28Å; D458-T474 WeakPolarHBondContact OD2-CB 3.44Å; D458-T474 PolarHBondContact OD2-OG1 3.4Å
475S84.3Confident88.9Confident29 Ų2947.5 Ų47.520%0.20325%0.254CS..  trans-76.3133.7-176.2-1620000112W473 H477 Y484W473-S475 PolarHBondContact O-N 2.67Å; S475-H477 PolarHBondContact O-CD2 3.34Å; S475-H477 PolarHBondContact O-N 2.67Å; S475-Y484 WeakPolarHBondContact CA-OH 3.32Å; S475-Y484 PolarHBondContact OG-OH 2.81Å
476I83.1Confident89.1Confident33 Ų3343 Ų4317%0.16923%0.23CC..  trans-81.1105.5-177.8-55.9177000109.4A455 V456 S478 V481 Y484 P529A455-I476 WeakPolarHBondContact O-CD1 3.43Å; V456-I476 HydrophobicContact CG1-CD1 3.95Å; V456-I476 HydrophobicContact CG1-CG1 4.25Å; I476-S478 PolarHBondContact O-N 2.66Å; I476-V481 HydrophobicContact CB-CG2 4.03Å; I476-V481 HydrophobicContact CG2-CG2 3.83Å; I476-Y484 PolarHBondContact N-OH 2.88Å; I476-P529 HydrophobicContact CD1-CB 3.72Å; I476-P529 HydrophobicContact CD1-CG 4.14Å
477H75.6Confident89.3Confident180 Ų18039.2 Ų39.283%0.83321%0.213SC*.  trans-71.140.1-178.5-62.5-69.8000115.2S475S475-H477 PolarHBondContact O-CD2 3.34Å; S475-H477 PolarHBondContact O-N 2.67Å
478S77.9Confident89.4Confident45 Ų4533.5 Ų33.532%0.31519%0.191SC..  trans-106146.4176.7-165.20000112.5I476 S480 R506I476-S478 PolarHBondContact O-N 2.66Å; S478-S480 PolarHBondContact O-N 3.29Å; S478-S480 PolarHBondContact OG-OG 3.04Å; S478-R506 PolarHBondContact O-NE 3.09Å; S478-R506 PolarHBondContact O-NH2 2.9Å
479S78.3Confident89.3Confident92 Ų9235.7 Ų35.764%0.64320%0.2SC*.THydrogen-bonded Turntrans-79-0.2173.763.70000113.4K532S479-K532 VanDerWaalsContact O-CE 3.28Å; S479-K532 WeakPolarHBondContact O-CE 3.14Å; S479-K532 PolarHBondContact O-NZ 2.81Å
480S83.1Confident89.1Confident42 Ų4236 Ų3629%0.29420%0.202SC..THydrogen-bonded Turntrans-88.9-22.1173.562.60000113.4S478 Y531 K532S478-S480 PolarHBondContact O-N 3.29Å; S478-S480 PolarHBondContact OG-OG 3.04Å; S480-Y531 CarbonylContact O-C 3.55Å; S480-Y531 VanDerWaalsContact O-CA 3.3Å; S480-Y531 WeakPolarHBondContact O-CA 3.2Å; S480-Y531 WeakPolarHBondContact OG-CD1 3.42Å; S480-K532 PolarHBondContact O-N 3.38Å
481V86.9Confident88.8Confident4 Ų435.5 Ų35.52%0.02420%0.199CC..EExtended strand (participates in β ladder)trans-76.2138.3175178.30000109.8I476 Y484 R506 Y531I476-V481 HydrophobicContact CB-CG2 4.03Å; I476-V481 HydrophobicContact CG2-CG2 3.83Å; V481-Y484 HydrophobicContact CG1-CE1 4.33Å; V481-R506 HydrophobicContact CG1-CG 4.39Å; V481-R506 VanDerWaalsContact O-CD 3.24Å; V481-R506 WeakPolarHBondContact O-CD 3.49Å; V481-R506 PolarHBondContact O-NE 2.79Å; V481-Y531 HydrophobicContact CG2-CD1 3.75Å; V481-Y531 HydrophobicContact CG2-CE1 3.35Å
482T88.3Confident88.1Confident58 Ų5839.7 Ų39.736%0.35622%0.215SC..EExtended strand (participates in β ladder)trans-115.6-19-177.961.60000113K530 K532T482-K530 PolarHBondContact N-O 2.78Å; T482-K530 WeakPolarHBondContact OG1-CG 3.36Å; T482-K530 PolarHBondContact OG1-O 2.74Å; T482-K532 HydrophobicContact CG2-CB 4.49Å; T482-K532 HydrophobicContact CG2-CG 3.68Å
483G91.5Very high87.4Confident4 Ų441.2 Ų41.24%0.04122%0.22CC..EExtended strand (participates in β ladder)trans166.7-168.7179.900000110.4I504 K530G483-I504 CarbonylContact C-O 3.54Å; G483-I504 WeakPolarHBondContact CA-O 3.37Å; G483-K530 WeakPolarHBondContact O-CB 3.46Å; G483-K530 PolarHBondContact O-N 2.86Å
484Y92.2Very high86.4Confident2 Ų248.2 Ų48.21%0.00826%0.256CS..EExtended strand (participates in β ladder)trans-128.5158.2175.3-52.3-83.6000109.5V456 W473 S475 I476 V481 I504 Q508 Y528 P529V456-Y484 HydrophobicContact CG1-CD1 3.78Å; V456-Y484 HydrophobicContact CG1-CE1 3.6Å; W473-Y484 AromaticContact CE2-CD2 3.95Å; W473-Y484 AromaticContact CE2-CG 3.98Å; W473-Y484 AromaticContact CZ2-CD2 3.77Å; W473-Y484 HydrophobicContact CZ2-CD2 3.77Å; W473-Y484 HydrophobicContact CZ2-CE2 4.45Å; W473-Y484 AromaticContact CZ2-CG 3.94Å; W473-Y484 HydrophobicContact CZ2-CG 3.94Å; W473-Y484 AromaticContact NE1-CD1 3.64Å; W473-Y484 AromaticContact NE1-CD2 3.54Å; W473-Y484 AromaticContact NE1-CE1 3.64Å; W473-Y484 AromaticContact NE1-CE2 3.51Å; W473-Y484 AromaticContact NE1-CG 3.61Å; W473-Y484 AromaticContact NE1-CZ 3.58Å; S475-Y484 WeakPolarHBondContact CA-OH 3.32Å; S475-Y484 PolarHBondContact OG-OH 2.81Å; I476-Y484 PolarHBondContact N-OH 2.88Å; V481-Y484 HydrophobicContact CG1-CE1 4.33Å; Y484-I504 PolarHBondContact N-O 3.16Å; Y484-I504 PolarHBondContact O-N 3.27Å; Y484-Q508 WeakPolarHBondContact CE2-O 3.29Å; Y484-Y528 CarbonylContact C-O 3.55Å; Y484-Y528 WeakPolarHBondContact CA-O 3.45Å; Y484-P529 HydrophobicContact CD1-CB 4.15Å; Y484-P529 HydrophobicContact CE1-CB 4.24Å
485V92.5Very high86Confident2 Ų247 Ų471%0.01225%0.247CC..EExtended strand (participates in β ladder)trans-124123165.2-174.20000108W363 V487 F501 D502 Y528W363-V485 HydrophobicContact CD2-CG1 4.04Å; W363-V485 HydrophobicContact CE3-CB 4.08Å; W363-V485 HydrophobicContact CE3-CG1 3.65Å; W363-V485 HydrophobicContact CE3-CG2 4.04Å; W363-V485 HydrophobicContact CH2-CB 4.06Å; W363-V485 HydrophobicContact CH2-CG1 4.23Å; W363-V485 HydrophobicContact CH2-CG2 4.46Å; W363-V485 HydrophobicContact CZ3-CB 3.65Å; W363-V485 HydrophobicContact CZ3-CG1 3.75Å; W363-V485 HydrophobicContact CZ3-CG2 3.64Å; V485-V487 HydrophobicContact CG1-CG2 4.02Å; V485-F501 HydrophobicContact CG1-CB 4.33Å; V485-D502 WeakPolarHBondContact CA-O 3.25Å; V485-D502 WeakPolarHBondContact CG1-O 3Å; V485-Y528 PolarHBondContact N-O 3.09Å; V485-Y528 PolarHBondContact O-N 3.46Å
486V94.7Very high85.7Confident0 Ų048.1 Ų48.10%025%0.253CS..EExtended strand (participates in β ladder)trans-96.7129.1173-176.60000107.1V471 W473 W488 F501 D502 I504 T511 I525 V527V471-V486 HydrophobicContact CG1-CG1 4.44Å; V471-V486 HydrophobicContact CG2-CG1 4.39Å; W473-V486 HydrophobicContact CH2-CG2 3.91Å; W473-V486 HydrophobicContact CZ3-CG2 3.95Å; V486-W488 HydrophobicContact CG1-CE3 4.32Å; V486-F501 CarbonylContact O-C 3.6Å; V486-F501 WeakPolarHBondContact O-CA 3.49Å; V486-D502 PolarHBondContact N-O 3.02Å; V486-D502 PolarHBondContact O-N 3.22Å; V486-I504 HydrophobicContact CG2-CG1 4.04Å; V486-T511 HydrophobicContact CB-CG2 4.33Å; V486-T511 HydrophobicContact CG1-CG2 4.45Å; V486-T511 HydrophobicContact CG2-CG2 3.87Å; V486-I525 HydrophobicContact CG1-CG2 4.09Å; V486-V527 HydrophobicContact CG2-CG1 4.44Å; V486-V527 HydrophobicContact CG2-CG2 4.26Å
487V94.1Very high85.6Confident13 Ų1349.8 Ų49.88%0.07927%0.268CS..EExtended strand (participates in β ladder)trans-124.9133.1-177.8-175.90000107.7W363 V485 I499 L500 F501 I525 S526 Y528W363-V487 HydrophobicContact CD2-CG2 4.26Å; W363-V487 HydrophobicContact CZ2-CG2 3.75Å; V485-V487 HydrophobicContact CG1-CG2 4.02Å; V487-I499 HydrophobicContact CG1-CG2 3.87Å; V487-L500 CarbonylContact C-O 3.56Å; V487-L500 WeakPolarHBondContact CA-O 3.2Å; V487-L500 WeakPolarHBondContact CG1-O 3.32Å; V487-F501 HydrophobicContact CG2-CB 4.11Å; V487-I525 CarbonylContact O-C 3.55Å; V487-I525 WeakPolarHBondContact O-CA 3.34Å; V487-S526 PolarHBondContact N-O 2.9Å; V487-S526 PolarHBondContact O-N 3.48Å; V487-Y528 HydrophobicContact CB-CD2 4.46Å; V487-Y528 HydrophobicContact CB-CE2 4.04Å; V487-Y528 HydrophobicContact CG2-CD2 3.76Å; V487-Y528 HydrophobicContact CG2-CE2 3.65Å
488W93.8Very high86Confident4 Ų444.3 Ų44.32%0.01524%0.244CC..EExtended strand (participates in β ladder)trans-135.3147.9176.962.7106.9000111.8V486 L500 D502 I513 E515 E524 I525V486-W488 HydrophobicContact CG1-CE3 4.32Å; W488-L500 HydrophobicContact CD2-CB 3.9Å; W488-L500 VanDerWaalsContact CE2-CB 3.44Å; W488-L500 HydrophobicContact CG-CB 4.31Å; W488-L500 HydrophobicContact CH2-CB 4.32Å; W488-L500 HydrophobicContact CZ2-CB 3.68Å; W488-L500 HydrophobicContact CZ2-CD1 4.29Å; W488-L500 PolarHBondContact N-O 3.15Å; W488-L500 PolarHBondContact O-N 2.95Å; W488-D502 HydrophobicContact CH2-CB 4.32Å; W488-D502 HydrophobicContact CZ3-CB 4.35Å; W488-I513 HydrophobicContact CB-CD1 4.06Å; W488-I513 HydrophobicContact CD2-CB 4.44Å; W488-I513 HydrophobicContact CD2-CD1 3.93Å; W488-I513 HydrophobicContact CD2-CG2 4.28Å; W488-I513 HydrophobicContact CE3-CD1 4.38Å; W488-I513 HydrophobicContact CE3-CG2 3.98Å; W488-I513 HydrophobicContact CG-CD1 3.79Å; W488-I513 HydrophobicContact CH2-CB 4.48Å; W488-I513 HydrophobicContact CH2-CG2 3.97Å; W488-I513 HydrophobicContact CZ2-CB 4.26Å; W488-I513 HydrophobicContact CZ2-CG2 4.24Å; W488-I513 HydrophobicContact CZ3-CG2 3.82Å; W488-E515 HydrophobicContact CZ2-CB 4.14Å; W488-E515 PolarHBondContact NE1-O 3.32Å; W488-E524 VanDerWaalsContact CA-O 3.28Å; W488-E524 WeakPolarHBondContact CA-O 3.32Å; W488-I525 HydrophobicContact CB-CG1 3.91Å
489R91.9Very high86.6Confident49 Ų4944 Ų4419%0.18524%0.239CC..EExtended strand (participates in β ladder)trans-149.2152.3176.667.2-180-173.791.21.5111.1I499 Y523 E524R489-I499 HydrophobicContact CB-CG1 4.17Å; R489-Y523 WeakPolarHBondContact O-CA 3.45Å; R489-E524 HydrophobicContact CG-CB 4.1Å; R489-E524 IonicContact CZ-OE1 3.06Å; R489-E524 IonicContact CZ-OE2 2.72Å; R489-E524 PolarHBondContact N-O 2.83Å; R489-E524 IonicContact NE-OE1 2.68Å; R489-E524 IonicContact NE-OE2 3.7Å; R489-E524 PolarHBondContact NE-OE2 3.29Å; R489-E524 IonicContact NH2-OE1 2.65Å; R489-E524 PolarHBondContact NH2-OE1 3.35Å; R489-E524 IonicContact NH2-OE2 2.65Å; R489-E524 PolarHBondContact NH2-OE2 2.61Å; R489-E524 PolarHBondContact O-N 2.94Å
490P91.9Very high87.2Confident8 Ų841.3 Ų41.35%0.05222%0.217CC..EExtended strand (participates in β ladder)trans-64.4140.2166.829.2-35.7000110.8W492 L498P490-W492 HydrophobicContact CB-CD2 3.7Å; P490-W492 HydrophobicContact CB-CE3 3.41Å; P490-W492 VanDerWaalsContact CB-CE3 3.41Å; P490-W492 HydrophobicContact CB-CH2 3.44Å; P490-W492 VanDerWaalsContact CB-CH2 3.44Å; P490-W492 HydrophobicContact CB-CZ2 3.7Å; P490-W492 HydrophobicContact CB-CZ3 3.25Å; P490-L498 WeakPolarHBondContact CD-O 3.32Å; P490-L498 HydrophobicContact CG-CB 3.71Å; P490-L498 HydrophobicContact CG-CD1 3.73Å; P490-L498 HydrophobicContact CG-CG 4.38Å
491L89.3Confident87.7Confident31 Ų3139.6 Ų39.616%0.16220%0.204CC..SBendtrans-86.1-25.1174-80.4170.9000113.1K493 P522 E524 E542 L575L491-K493 VanDerWaalsContact C-N 3.28Å; L491-K493 PolarHBondContact O-N 2.89Å; L491-P522 HydrophobicContact CB-CB 4.06Å; L491-P522 HydrophobicContact CB-CG 4.13Å; L491-P522 WeakPolarHBondContact CB-O 3.3Å; L491-P522 HydrophobicContact CD1-CB 4.16Å; L491-P522 PolarHBondContact N-O 2.93Å; L491-E524 HydrophobicContact CD1-CB 4.11Å; L491-E524 HydrophobicContact CD2-CB 3.76Å; L491-E524 HydrophobicContact CG-CB 3.79Å; L491-E542 HydrophobicContact CD1-CB 4.46Å; L491-E542 HydrophobicContact CD1-CG 3.95Å; L491-L575 HydrophobicContact CB-CD1 4.17Å
492W80.3Confident88Confident88 Ų8841.6 Ų41.633%0.33321%0.214SC..SBendtrans-77.6-8.6-177.869.996.9000114.4P490 N521 P522 Y523P490-W492 HydrophobicContact CB-CD2 3.7Å; P490-W492 HydrophobicContact CB-CE3 3.41Å; P490-W492 VanDerWaalsContact CB-CE3 3.41Å; P490-W492 HydrophobicContact CB-CH2 3.44Å; P490-W492 VanDerWaalsContact CB-CH2 3.44Å; P490-W492 HydrophobicContact CB-CZ2 3.7Å; P490-W492 HydrophobicContact CB-CZ3 3.25Å; W492-N521 HydrophobicContact CD2-CB 4.15Å; W492-N521 HydrophobicContact CE3-CB 3.65Å; W492-N521 HydrophobicContact CH2-CB 3.32Å; W492-N521 HydrophobicContact CZ2-CB 3.87Å; W492-N521 HydrophobicContact CZ3-CB 3.23Å; W492-P522 HydrophobicContact CE3-CG 4.15Å; W492-P522 WeakPolarHBondContact CZ3-O 3.46Å; W492-Y523 HydrophobicContact CH2-CE1 4.12Å; W492-Y523 AromaticContact CH2-CE2 3.85Å; W492-Y523 HydrophobicContact CH2-CE2 3.85Å; W492-Y523 AromaticContact CH2-CZ 3.56Å; W492-Y523 WeakPolarHBondContact CH2-OH 3.46Å; W492-Y523 HydrophobicContact CZ3-CD2 4.22Å; W492-Y523 HydrophobicContact CZ3-CE1 4.31Å; W492-Y523 AromaticContact CZ3-CE2 3.87Å; W492-Y523 HydrophobicContact CZ3-CE2 3.87Å; W492-Y523 AromaticContact CZ3-CZ 3.93Å
493K80.3Confident88.1Confident104 Ų10442.5 Ų42.545%0.45222%0.215SC..  trans-141.2115.1176.4-162-165-175.2-162.90111L491 D495 L498L491-K493 VanDerWaalsContact C-N 3.28Å; L491-K493 PolarHBondContact O-N 2.89Å; K493-D495 HydrophobicContact CD-CB 3.72Å; K493-D495 WeakPolarHBondContact CE-OD2 3.4Å; K493-D495 HydrophobicContact CG-CB 3.98Å; K493-D495 IonicContact NZ-OD2 2.68Å; K493-D495 PolarHBondContact NZ-OD2 3.17Å; K493-D495 PolarHBondContact O-N 3.12Å; K493-L498 HydrophobicContact CB-CD1 4.49Å; K493-L498 HydrophobicContact CD-CD1 3.77Å
494M74.6Confident88.2Confident158 Ų15843.1 Ų43.178%0.77822%0.217SC*.  trans-77.160.9175-69.5-70.2-166.600111.8
495D81.8Confident88.1Confident42 Ų4248.7 Ų48.723%0.22525%0.247CC..  trans-111115-178.7-173-25.8000110.8K493 S497 L498K493-D495 HydrophobicContact CD-CB 3.72Å; K493-D495 WeakPolarHBondContact CE-OD2 3.4Å; K493-D495 HydrophobicContact CG-CB 3.98Å; K493-D495 IonicContact NZ-OD2 2.68Å; K493-D495 PolarHBondContact NZ-OD2 3.17Å; K493-D495 PolarHBondContact O-N 3.12Å; D495-S497 PolarHBondContact O-N 2.99Å; D495-S497 VanDerWaalsContact O-N 3.16Å; D495-S497 VanDerWaalsContact OD1-CB 3.32Å; D495-S497 WeakPolarHBondContact OD1-CB 3.47Å; D495-S497 PolarHBondContact OD1-N 2.77Å; D495-S497 PolarHBondContact OD1-OG 2.98Å; D495-S497 PolarHBondContact OD2-OG 2.81Å; D495-L498 HydrophobicContact CB-CD1 4.07Å; D495-L498 HydrophobicContact CB-CG 4.07Å; D495-L498 PolarHBondContact O-N 2.91Å; D495-L498 VanDerWaalsContact O-N 3.09Å
496P78.5Confident87.8Confident52 Ų5253.2 Ų53.234%0.33826%0.263SS..G310 helixtrans-58.3-26179.2-25.335000114.4F380 L498 I499F380-P496 HydrophobicContact CE1-CB 4.2Å; F380-P496 WeakPolarHBondContact CE1-O 3.39Å; P496-L498 PolarHBondContact O-N 2.82Å; P496-I499 PolarHBondContact O-N 3.42Å
497S79.3Confident87.4Confident68 Ų6860.1 Ų60.148%0.47630%0.3SS..G310 helixtrans-70-15.5179.169.80000113.6D495D495-S497 PolarHBondContact O-N 2.99Å; D495-S497 VanDerWaalsContact O-N 3.16Å; D495-S497 VanDerWaalsContact OD1-CB 3.32Å; D495-S497 WeakPolarHBondContact OD1-CB 3.47Å; D495-S497 PolarHBondContact OD1-N 2.77Å; D495-S497 PolarHBondContact OD1-OG 2.98Å; D495-S497 PolarHBondContact OD2-OG 2.81Å
498L85.8Confident87.1Confident65 Ų6564.1 Ų64.134%0.3432%0.318SS..G310 helixtrans-97.18.2179.1-54.9-177000113.3P490 K493 D495 P496 L500P490-L498 WeakPolarHBondContact CD-O 3.32Å; P490-L498 HydrophobicContact CG-CB 3.71Å; P490-L498 HydrophobicContact CG-CD1 3.73Å; P490-L498 HydrophobicContact CG-CG 4.38Å; K493-L498 HydrophobicContact CB-CD1 4.49Å; K493-L498 HydrophobicContact CD-CD1 3.77Å; D495-L498 HydrophobicContact CB-CD1 4.07Å; D495-L498 HydrophobicContact CB-CG 4.07Å; D495-L498 PolarHBondContact O-N 2.91Å; D495-L498 VanDerWaalsContact O-N 3.09Å; P496-L498 PolarHBondContact O-N 2.82Å; L498-L500 PolarHBondContact O-N 2.8Å
499I89.3Confident86.9Confident39 Ų3966.4 Ų66.420%0.234%0.335CS..  trans-80.7111.5172.6-62.5173.9000108.8F380 V487 R489 P496F380-I499 HydrophobicContact CD1-CB 4.35Å; F380-I499 HydrophobicContact CE1-CB 4.15Å; F380-I499 HydrophobicContact CE1-CD1 3.91Å; F380-I499 HydrophobicContact CZ-CD1 3.72Å; V487-I499 HydrophobicContact CG1-CG2 3.87Å; R489-I499 HydrophobicContact CB-CG1 4.17Å; P496-I499 PolarHBondContact O-N 3.42Å
500L91.6Very high86.9Confident35 Ų3566.4 Ų66.418%0.18334%0.343CS..EExtended strand (participates in β ladder)trans-106.8155.1176.2-66.7175.6000110.8V487 W488 L498 E515V487-L500 CarbonylContact C-O 3.56Å; V487-L500 WeakPolarHBondContact CA-O 3.2Å; V487-L500 WeakPolarHBondContact CG1-O 3.32Å; W488-L500 HydrophobicContact CD2-CB 3.9Å; W488-L500 VanDerWaalsContact CE2-CB 3.44Å; W488-L500 HydrophobicContact CG-CB 4.31Å; W488-L500 HydrophobicContact CH2-CB 4.32Å; W488-L500 HydrophobicContact CZ2-CB 3.68Å; W488-L500 HydrophobicContact CZ2-CD1 4.29Å; W488-L500 PolarHBondContact N-O 3.15Å; W488-L500 PolarHBondContact O-N 2.95Å; L498-L500 PolarHBondContact O-N 2.8Å; L500-E515 HydrophobicContact CD1-CB 4.02Å; L500-E515 WeakPolarHBondContact CD1-O 3.44Å
501F93.6Very high87Confident5 Ų567.5 Ų67.52%0.02235%0.349CS..EExtended strand (participates in β ladder)trans-155156.2-178.166.5-87.5000111.7N361 W363 F380 K382 V485 V486 V487 H503N361-F501 HydrophobicContact CB-CE2 4.35Å; W363-F501 HydrophobicContact CB-CB 4.27Å; W363-F501 HydrophobicContact CB-CD1 3.6Å; W363-F501 HydrophobicContact CB-CD2 3.6Å; W363-F501 HydrophobicContact CB-CE1 3.76Å; W363-F501 HydrophobicContact CB-CE2 3.76Å; W363-F501 HydrophobicContact CB-CG 3.53Å; W363-F501 HydrophobicContact CB-CZ 3.84Å; W363-F501 HydrophobicContact CG-CB 4.3Å; W363-F501 HydrophobicContact CG-CD1 4.3Å; W363-F501 HydrophobicContact CG-CD2 4.42Å; W363-F501 HydrophobicContact CG-CG 4.08Å; F380-F501 HydrophobicContact CB-CD1 4.43Å; F380-F501 HydrophobicContact CB-CE1 3.94Å; K382-F501 VanDerWaalsContact CE-O 3.25Å; K382-F501 WeakPolarHBondContact CE-O 3.42Å; K382-F501 HydrophobicContact CG-CZ 4.36Å; K382-F501 PolarHBondContact NZ-O 3.17Å; V485-F501 HydrophobicContact CG1-CB 4.33Å; V486-F501 CarbonylContact O-C 3.6Å; V486-F501 WeakPolarHBondContact O-CA 3.49Å; V487-F501 HydrophobicContact CG2-CB 4.11Å; F501-H503 AromaticContact CD2-CD2 3.92Å; F501-H503 AromaticContact CD2-NE2 3.92Å; F501-H503 AromaticContact CE2-NE2 3.84Å
502D93.2Very high87.3Confident46 Ų4669.9 Ų69.925%0.24636%0.361CS..EExtended strand (participates in β ladder)trans-144149.5164.2-93.1-50.6000112.8K382 V485 V486 W488K382-D502 WeakPolarHBondContact CE-OD1 3.38Å; K382-D502 IonicContact NZ-OD1 3.69Å; K382-D502 PolarHBondContact NZ-OD1 2.92Å; K382-D502 VanDerWaalsContact NZ-OD1 3.17Å; K382-D502 IonicContact NZ-OD2 2.79Å; K382-D502 PolarHBondContact NZ-OD2 3.32Å; V485-D502 WeakPolarHBondContact CA-O 3.25Å; V485-D502 WeakPolarHBondContact CG1-O 3Å; V486-D502 PolarHBondContact N-O 3.02Å; V486-D502 PolarHBondContact O-N 3.22Å; W488-D502 HydrophobicContact CH2-CB 4.32Å; W488-D502 HydrophobicContact CZ3-CB 4.35Å
503H90.9Very high87.9Confident78 Ų7865.9 Ų65.936%0.36135%0.347SS..EExtended strand (participates in β ladder)trans-94.6127178.2-67.1-117.4000108.8S362 F501S362-H503 PolarHBondContact O-CE1 2.79Å; S362-H503 PolarHBondContact O-NE2 3.35Å; F501-H503 AromaticContact CD2-CD2 3.92Å; F501-H503 AromaticContact CD2-NE2 3.92Å; F501-H503 AromaticContact CE2-NE2 3.84Å
504I92.3Very high88.4Confident16 Ų1664.6 Ų64.68%0.08235%0.351CS..EExtended strand (participates in β ladder)trans-115.8137.1-174.1-54.7-58.4000109.3W473 G483 Y484 V486 Q508 T511W473-I504 HydrophobicContact CH2-CB 4.49Å; W473-I504 HydrophobicContact CH2-CG1 4.33Å; W473-I504 HydrophobicContact CH2-CG2 4.02Å; W473-I504 HydrophobicContact CZ2-CG2 3.99Å; G483-I504 CarbonylContact C-O 3.54Å; G483-I504 WeakPolarHBondContact CA-O 3.37Å; Y484-I504 PolarHBondContact N-O 3.16Å; Y484-I504 PolarHBondContact O-N 3.27Å; V486-I504 HydrophobicContact CG2-CG1 4.04Å; I504-Q508 HydrophobicContact CG2-CB 3.65Å; I504-T511 HydrophobicContact CD1-CG2 4.06Å; I504-T511 HydrophobicContact CG1-CG2 4.32Å
505D90.6Very high89Confident120 Ų12061.2 Ų61.264%0.64233%0.333SS*.EExtended strand (participates in β ladder)trans-69.8149-178.6-81.7-45.7000112.1N507 Q508D505-N507 PolarHBondContact O-N 3.23Å; D505-Q508 PolarHBondContact O-N 3Å
506R86.7Confident89.3Confident96 Ų9663.3 Ų63.336%0.36235%0.351SS..THydrogen-bonded Turntrans-50.1-30.8-179.5-178-175-179.2-102.3-3.2114.2S478 V481 Q508S478-R506 PolarHBondContact O-NE 3.09Å; S478-R506 PolarHBondContact O-NH2 2.9Å; V481-R506 HydrophobicContact CG1-CG 4.39Å; V481-R506 VanDerWaalsContact O-CD 3.24Å; V481-R506 WeakPolarHBondContact O-CD 3.49Å; V481-R506 PolarHBondContact O-NE 2.79Å; R506-Q508 VanDerWaalsContact C-N 3.3Å
507N86.5Confident89.9Confident145 Ų14561 Ų6178%0.77534%0.336SS*.THydrogen-bonded Turntrans-82.5-6.7-175.9-62.7-2.6000113D505D505-N507 PolarHBondContact O-N 3.23Å
508Q87.9Confident90.5Very high98 Ų9861.4 Ų61.446%0.45833%0.33SS..  trans-104.3138.8177.2-67.3175.4-4800110.2Y484 I504 D505 R506Y484-Q508 WeakPolarHBondContact CE2-O 3.29Å; I504-Q508 HydrophobicContact CG2-CB 3.65Å; D505-Q508 PolarHBondContact O-N 3Å; R506-Q508 VanDerWaalsContact C-N 3.3Å
509S89.3Confident90.7Very high52 Ų5259.2 Ų59.236%0.36432%0.32SS..SBendtrans-122.215.7178.769.10000112.3Q472 W473Q472-S509 WeakPolarHBondContact CA-O 3.49Å; W473-S509 PolarHBondContact N-O 2.74Å; W473-S509 WeakPolarHBondContact O-CB 3.5Å
510S92.1Very high90.7Very high49 Ų4961.7 Ų61.734%0.34333%0.327SS..EExtended strand (participates in β ladder)trans-156.6155.5176.658.40000110.9V471V471-S510 CarbonylContact O-C 3.58Å; V471-S510 WeakPolarHBondContact O-CA 3.18Å; V471-S510 VanDerWaalsContact O-CB 3.31Å; V471-S510 WeakPolarHBondContact O-CB 3.48Å
511T94Very high90.7Very high31 Ų3162.4 Ų62.419%0.1933%0.331CS..EExtended strand (participates in β ladder)trans-151.1151.1170.9-1680000111V471 W473 V486 I504 I513V471-T511 HydrophobicContact CB-CG2 4.33Å; V471-T511 PolarHBondContact N-O 2.98Å; V471-T511 PolarHBondContact O-N 3.5Å; W473-T511 HydrophobicContact CH2-CG2 4.31Å; W473-T511 HydrophobicContact CZ3-CG2 4.24Å; V486-T511 HydrophobicContact CB-CG2 4.33Å; V486-T511 HydrophobicContact CG1-CG2 4.45Å; V486-T511 HydrophobicContact CG2-CG2 3.87Å; I504-T511 HydrophobicContact CD1-CG2 4.06Å; I504-T511 HydrophobicContact CG1-CG2 4.32Å; T511-I513 HydrophobicContact CG2-CG2 4.25Å
512L94.1Very high90.6Very high80 Ų8062.3 Ų62.342%0.41933%0.331SS..EExtended strand (participates in β ladder)trans-96.8123.8172.4-174.972.3000108.8H464 L470H464-L512 HydrophobicContact CB-CD1 3.77Å; L470-L512 HydrophobicContact CB-CD1 4.3Å
513I93.9Very high90.6Very high5 Ų560.4 Ų60.43%0.02632%0.32CS..EExtended strand (participates in β ladder)trans-105.7134.2172.165.4175.1000110.3S468 L469 V471 W488 T511 I517 I525S468-I513 CarbonylContact C-O 3.53Å; S468-I513 VanDerWaalsContact CA-O 3.28Å; S468-I513 WeakPolarHBondContact CA-O 3.45Å; L469-I513 HydrophobicContact CB-CD1 4.26Å; L469-I513 HydrophobicContact CB-CG1 3.8Å; L469-I513 PolarHBondContact N-O 3.37Å; L469-I513 WeakPolarHBondContact O-CG1 3.29Å; L469-I513 PolarHBondContact O-N 3.29Å; V471-I513 HydrophobicContact CG2-CD1 4.21Å; V471-I513 HydrophobicContact CG2-CG1 4.35Å; W488-I513 HydrophobicContact CB-CD1 4.06Å; W488-I513 HydrophobicContact CD2-CB 4.44Å; W488-I513 HydrophobicContact CD2-CD1 3.93Å; W488-I513 HydrophobicContact CD2-CG2 4.28Å; W488-I513 HydrophobicContact CE3-CD1 4.38Å; W488-I513 HydrophobicContact CE3-CG2 3.98Å; W488-I513 HydrophobicContact CG-CD1 3.79Å; W488-I513 HydrophobicContact CH2-CB 4.48Å; W488-I513 HydrophobicContact CH2-CG2 3.97Å; W488-I513 HydrophobicContact CZ2-CB 4.26Å; W488-I513 HydrophobicContact CZ2-CG2 4.24Å; W488-I513 HydrophobicContact CZ3-CG2 3.82Å; T511-I513 HydrophobicContact CG2-CG2 4.25Å; I513-I517 HydrophobicContact CD1-CD1 4.17Å; I513-I517 HydrophobicContact CG1-CD1 4.41Å; I513-I517 HydrophobicContact CG1-CG1 4.49Å; I513-I525 HydrophobicContact CD1-CD1 3.77Å; I513-I525 HydrophobicContact CD1-CG1 4.18Å
514S90.3Very high90.7Very high76 Ų7659.2 Ų59.253%0.53132%0.315SS..  trans-143.5-5.3178.356.40000113.6S516S514-S516 PolarHBondContact O-N 2.83Å
515E87.7Confident90.8Very high87 Ų8758.5 Ų58.541%0.40731%0.311SS..THydrogen-bonded Turntrans-70.6119.2173.3-52.7-176.5159.900109.6K382 W488 L500 I517K382-E515 IonicContact NZ-OE1 3.82Å; K382-E515 PolarHBondContact NZ-OE1 2.81Å; K382-E515 IonicContact NZ-OE2 2.87Å; K382-E515 PolarHBondContact NZ-OE2 3.41Å; W488-E515 HydrophobicContact CZ2-CB 4.14Å; W488-E515 PolarHBondContact NE1-O 3.32Å; L500-E515 HydrophobicContact CD1-CB 4.02Å; L500-E515 WeakPolarHBondContact CD1-O 3.44Å; E515-I517 VanDerWaalsContact C-N 3.32Å; E515-I517 PolarHBondContact O-N 3.27Å
516S87.8Confident91Very high87 Ų8753 Ų5361%0.60828%0.282SS*.THydrogen-bonded Turntrans56.135.2178.3-53.60000115.6S514 Y523S514-S516 PolarHBondContact O-N 2.83Å; S516-Y523 WeakPolarHBondContact O-CE1 3.4Å; S516-Y523 PolarHBondContact O-OH 3.1Å
517I91.4Very high91.3Very high3 Ų348.4 Ų48.42%0.01527%0.265CS..  trans-92.3120.9170.4-54.8-57.1000110.3L469 I513 E515 Y523L469-I517 HydrophobicContact CD1-CD1 4.44Å; L469-I517 HydrophobicContact CD1-CG2 4.44Å; L469-I517 HydrophobicContact CG-CG2 4.4Å; I513-I517 HydrophobicContact CD1-CD1 4.17Å; I513-I517 HydrophobicContact CG1-CD1 4.41Å; I513-I517 HydrophobicContact CG1-CG1 4.49Å; E515-I517 VanDerWaalsContact C-N 3.32Å; E515-I517 PolarHBondContact O-N 3.27Å; I517-Y523 VanDerWaalsContact CA-OH 3.32Å; I517-Y523 WeakPolarHBondContact CA-OH 3.17Å; I517-Y523 HydrophobicContact CD1-CD1 3.89Å; I517-Y523 HydrophobicContact CD1-CE1 3.71Å; I517-Y523 HydrophobicContact CD1-CE2 4.42Å; I517-Y523 HydrophobicContact CD1-CG 4.3Å; I517-Y523 HydrophobicContact CG2-CE2 4.4Å
518E90.9Very high91.5Very high77 Ų7742.9 Ų42.936%0.3623%0.233SC..  trans-119136.1178.9-69.2-65.9152.700110.3R467 N521 Y523R467-E518 IonicContact CZ-OE1 2.68Å; R467-E518 IonicContact CZ-OE2 3.14Å; R467-E518 IonicContact NH1-OE1 2.7Å; R467-E518 PolarHBondContact NH1-OE1 3.47Å; R467-E518 IonicContact NH1-OE2 3.36Å; R467-E518 PolarHBondContact NH1-OE2 3.42Å; R467-E518 IonicContact NH2-OE1 2.77Å; R467-E518 IonicContact NH2-OE2 3.49Å; R467-E518 PolarHBondContact NH2-OE2 2.88Å; E518-N521 WeakPolarHBondContact CB-ND2 3.43Å; E518-Y523 PolarHBondContact N-OH 3.22Å
519P90.8Very high91.7Very high19 Ų1938.2 Ų38.212%0.12321%0.212CC..THydrogen-bonded Turntrans-63.2155.1-177.628.1-36.3000112.9N521 R546P519-N521 PolarHBondContact O-N 3.09Å; P519-N521 VanDerWaalsContact O-N 3.15Å; P519-N521 PolarHBondContact O-ND2 2.84Å; P519-R546 HydrophobicContact CB-CB 3.82Å; P519-R546 HydrophobicContact CB-CG 4.42Å
520Y90.1Very high91.6Very high90 Ų9038.3 Ų38.335%0.35321%0.206SC..THydrogen-bonded Turntrans68.5-5.8178-40.2-64.9000116.9R546 K548 N579Y520-R546 VanDerWaalsContact CA-O 3.25Å; Y520-R546 WeakPolarHBondContact CA-O 3.35Å; Y520-R546 HydrophobicContact CD1-CB 4.2Å; Y520-R546 HydrophobicContact CE1-CB 3.82Å; Y520-R546 PolarHBondContact N-O 3.42Å; Y520-K548 HydrophobicContact CD1-CB 3.66Å; Y520-K548 HydrophobicContact CE1-CB 3.85Å; Y520-N579 WeakPolarHBondContact O-CA 3.28Å
521N90.3Very high91.4Very high51 Ų5136.8 Ų36.827%0.27319%0.193SC..SBendtrans-101.8144-178.1-52.2-77.3000112.8W492 E518 P519 Y523W492-N521 HydrophobicContact CD2-CB 4.15Å; W492-N521 HydrophobicContact CE3-CB 3.65Å; W492-N521 HydrophobicContact CH2-CB 3.32Å; W492-N521 HydrophobicContact CZ2-CB 3.87Å; W492-N521 HydrophobicContact CZ3-CB 3.23Å; E518-N521 WeakPolarHBondContact CB-ND2 3.43Å; P519-N521 PolarHBondContact O-N 3.09Å; P519-N521 VanDerWaalsContact O-N 3.15Å; P519-N521 PolarHBondContact O-ND2 2.84Å; N521-Y523 HydrophobicContact CB-CE2 4.4Å; N521-Y523 VanDerWaalsContact O-CD2 3.29Å; N521-Y523 WeakPolarHBondContact O-CD2 3.36Å
522P91.8Very high90.9Very high2 Ų241.7 Ų41.71%0.01321%0.211CC..  trans-78.2126.1-178.723.9-29.1000114.1L491 W492 E542 Y544 L575L491-P522 HydrophobicContact CB-CB 4.06Å; L491-P522 HydrophobicContact CB-CG 4.13Å; L491-P522 WeakPolarHBondContact CB-O 3.3Å; L491-P522 HydrophobicContact CD1-CB 4.16Å; L491-P522 PolarHBondContact N-O 2.93Å; W492-P522 HydrophobicContact CE3-CG 4.15Å; W492-P522 WeakPolarHBondContact CZ3-O 3.46Å; P522-E542 HydrophobicContact CB-CG 4.44Å; P522-Y544 HydrophobicContact CB-CE1 3.91Å; P522-Y544 HydrophobicContact CB-CE2 4.14Å; P522-Y544 WeakPolarHBondContact CB-OH 3.25Å; P522-Y544 HydrophobicContact CG-CE1 4.35Å; P522-L575 HydrophobicContact CB-CD2 4.43Å; P522-L575 HydrophobicContact CG-CB 4.18Å; P522-L575 HydrophobicContact CG-CD2 4.16Å
523Y92.3Very high90Very high6 Ų643.1 Ų43.12%0.02422%0.219CC..EExtended strand (participates in β ladder)trans-109.5135.6172.2-70.2-96.5000111.5R489 W492 S516 I517 E518 N521 E542 A543R489-Y523 WeakPolarHBondContact O-CA 3.45Å; W492-Y523 HydrophobicContact CH2-CE1 4.12Å; W492-Y523 AromaticContact CH2-CE2 3.85Å; W492-Y523 HydrophobicContact CH2-CE2 3.85Å; W492-Y523 AromaticContact CH2-CZ 3.56Å; W492-Y523 WeakPolarHBondContact CH2-OH 3.46Å; W492-Y523 HydrophobicContact CZ3-CD2 4.22Å; W492-Y523 HydrophobicContact CZ3-CE1 4.31Å; W492-Y523 AromaticContact CZ3-CE2 3.87Å; W492-Y523 HydrophobicContact CZ3-CE2 3.87Å; W492-Y523 AromaticContact CZ3-CZ 3.93Å; S516-Y523 WeakPolarHBondContact O-CE1 3.4Å; S516-Y523 PolarHBondContact O-OH 3.1Å; I517-Y523 VanDerWaalsContact CA-OH 3.32Å; I517-Y523 WeakPolarHBondContact CA-OH 3.17Å; I517-Y523 HydrophobicContact CD1-CD1 3.89Å; I517-Y523 HydrophobicContact CD1-CE1 3.71Å; I517-Y523 HydrophobicContact CD1-CE2 4.42Å; I517-Y523 HydrophobicContact CD1-CG 4.3Å; I517-Y523 HydrophobicContact CG2-CE2 4.4Å; E518-Y523 PolarHBondContact N-OH 3.22Å; N521-Y523 HydrophobicContact CB-CE2 4.4Å; N521-Y523 VanDerWaalsContact O-CD2 3.29Å; N521-Y523 WeakPolarHBondContact O-CD2 3.36Å; Y523-E542 CarbonylContact O-C 3.46Å; Y523-E542 WeakPolarHBondContact O-CA 3.42Å; Y523-A543 PolarHBondContact N-O 3.2Å; Y523-A543 PolarHBondContact O-N 2.7Å
524E93.6Very high89.3Confident54 Ų5442.9 Ų42.925%0.25222%0.218SC..EExtended strand (participates in β ladder)trans-89.9123.6164.1-178.5-172.2-84.300108.3W488 R489 L491 T540W488-E524 VanDerWaalsContact CA-O 3.28Å; W488-E524 WeakPolarHBondContact CA-O 3.32Å; R489-E524 HydrophobicContact CG-CB 4.1Å; R489-E524 IonicContact CZ-OE1 3.06Å; R489-E524 IonicContact CZ-OE2 2.72Å; R489-E524 PolarHBondContact N-O 2.83Å; R489-E524 IonicContact NE-OE1 2.68Å; R489-E524 IonicContact NE-OE2 3.7Å; R489-E524 PolarHBondContact NE-OE2 3.29Å; R489-E524 IonicContact NH2-OE1 2.65Å; R489-E524 PolarHBondContact NH2-OE1 3.35Å; R489-E524 IonicContact NH2-OE2 2.65Å; R489-E524 PolarHBondContact NH2-OE2 2.61Å; R489-E524 PolarHBondContact O-N 2.94Å; L491-E524 HydrophobicContact CD1-CB 4.11Å; L491-E524 HydrophobicContact CD2-CB 3.76Å; L491-E524 HydrophobicContact CG-CB 3.79Å; E524-T540 HydrophobicContact CG-CG2 3.41Å; E524-T540 VanDerWaalsContact CG-CG2 3.41Å
525I95.1Very high89.1Confident0 Ų039.6 Ų39.60%019%0.194CC..EExtended strand (participates in β ladder)trans-118.6126178.8-63.1168.9000108.4V461 L469 V471 V486 V487 W488 I513 T540 V541 A543V461-I525 HydrophobicContact CB-CD1 4.47Å; V461-I525 HydrophobicContact CG1-CD1 3.73Å; V461-I525 HydrophobicContact CG2-CB 4.44Å; V461-I525 HydrophobicContact CG2-CD1 4.02Å; V461-I525 HydrophobicContact CG2-CG2 4.38Å; L469-I525 HydrophobicContact CD1-CD1 3.79Å; V471-I525 HydrophobicContact CG1-CG2 4.18Å; V471-I525 HydrophobicContact CG2-CD1 4.36Å; V471-I525 HydrophobicContact CG2-CG2 3.95Å; V486-I525 HydrophobicContact CG1-CG2 4.09Å; V487-I525 CarbonylContact O-C 3.55Å; V487-I525 WeakPolarHBondContact O-CA 3.34Å; W488-I525 HydrophobicContact CB-CG1 3.91Å; I513-I525 HydrophobicContact CD1-CD1 3.77Å; I513-I525 HydrophobicContact CD1-CG1 4.18Å; I525-T540 CarbonylContact O-C 3.43Å; I525-T540 VanDerWaalsContact O-CA 3.28Å; I525-T540 WeakPolarHBondContact O-CA 3.37Å; I525-V541 PolarHBondContact N-O 2.93Å; I525-V541 PolarHBondContact O-N 3.03Å; I525-A543 HydrophobicContact CD1-CB 3.85Å
526S93.5Very high89Confident5 Ų535.4 Ų35.44%0.03518%0.175CC..EExtended strand (participates in β ladder)trans-124.9126.1-178-640000111.2V487 Q539 T540V487-S526 PolarHBondContact N-O 2.9Å; V487-S526 PolarHBondContact O-N 3.48Å; S526-Q539 WeakPolarHBondContact CA-O 3.49Å; S526-T540 VanDerWaalsContact OG-CG2 3.3Å; S526-T540 WeakPolarHBondContact OG-CG2 3.28Å; S526-T540 PolarHBondContact OG-OG1 2.88Å
527V94.1Very high89Confident0 Ų035.6 Ų35.60%017%0.168CC..EExtended strand (participates in β ladder)trans-106116178.5-175.90000109.6V456 V459 V471 W473 V486 P538 Q539V456-V527 HydrophobicContact CG1-CG1 4.28Å; V456-V527 HydrophobicContact CG2-CB 3.91Å; V456-V527 HydrophobicContact CG2-CG1 3.84Å; V459-V527 HydrophobicContact CG1-CG2 3.86Å; V459-V527 HydrophobicContact CG2-CB 3.87Å; V459-V527 HydrophobicContact CG2-CG2 3.81Å; V471-V527 HydrophobicContact CG1-CG2 3.83Å; W473-V527 HydrophobicContact CD2-CG1 3.96Å; W473-V527 HydrophobicContact CE3-CG1 4.2Å; W473-V527 HydrophobicContact CE3-CG2 4.28Å; W473-V527 HydrophobicContact CG-CG1 4.25Å; V486-V527 HydrophobicContact CG2-CG1 4.44Å; V486-V527 HydrophobicContact CG2-CG2 4.26Å; V527-P538 WeakPolarHBondContact O-CA 3.2Å; V527-Q539 PolarHBondContact N-O 2.77Å; V527-Q539 PolarHBondContact O-N 2.7Å
528Y91.3Very high88.9Confident28 Ų2837.6 Ų37.611%0.1118%0.182CC..EExtended strand (participates in β ladder)trans-105.9118.1-178.2-66.4-97.1000111.1W363 H450 Y484 V485 V487 I535 P538W363-Y528 HydrophobicContact CH2-CD1 4.03Å; W363-Y528 AromaticContact CH2-CD2 3.86Å; W363-Y528 HydrophobicContact CH2-CD2 3.86Å; W363-Y528 HydrophobicContact CH2-CE2 4.36Å; W363-Y528 AromaticContact CH2-CG 3.67Å; W363-Y528 HydrophobicContact CH2-CG 3.67Å; W363-Y528 HydrophobicContact CZ2-CD1 4.1Å; W363-Y528 AromaticContact CZ2-CD2 3.63Å; W363-Y528 HydrophobicContact CZ2-CD2 3.63Å; W363-Y528 HydrophobicContact CZ2-CE1 4.16Å; W363-Y528 AromaticContact CZ2-CE2 3.69Å; W363-Y528 HydrophobicContact CZ2-CE2 3.69Å; W363-Y528 AromaticContact CZ2-CG 3.84Å; W363-Y528 HydrophobicContact CZ2-CG 3.84Å; W363-Y528 AromaticContact CZ2-CZ 3.96Å; H450-Y528 AromaticContact CE1-CE1 3.84Å; Y484-Y528 CarbonylContact C-O 3.55Å; Y484-Y528 WeakPolarHBondContact CA-O 3.45Å; V485-Y528 PolarHBondContact N-O 3.09Å; V485-Y528 PolarHBondContact O-N 3.46Å; V487-Y528 HydrophobicContact CB-CD2 4.46Å; V487-Y528 HydrophobicContact CB-CE2 4.04Å; V487-Y528 HydrophobicContact CG2-CD2 3.76Å; V487-Y528 HydrophobicContact CG2-CE2 3.65Å; Y528-I535 HydrophobicContact CD1-CG2 3.82Å; Y528-I535 HydrophobicContact CG-CG2 4.28Å; Y528-P538 HydrophobicContact CD1-CB 3.72Å; Y528-P538 HydrophobicContact CD1-CG 4.11Å; Y528-P538 HydrophobicContact CD2-CB 4.28Å; Y528-P538 HydrophobicContact CE1-CB 3.52Å; Y528-P538 HydrophobicContact CE1-CG 3.54Å; Y528-P538 HydrophobicContact CE2-CB 4.09Å; Y528-P538 HydrophobicContact CG-CB 4.11Å
529P90.4Very high89Confident0 Ų036.6 Ų36.60%018%0.177CC..EExtended strand (participates in β ladder)trans-72.5128.8170.427.8-30.9000111.4A454 V456 I476 Y484 Y531 G536 L537A454-P529 VanDerWaalsContact O-CG 3.28Å; A454-P529 WeakPolarHBondContact O-CG 3.47Å; V456-P529 HydrophobicContact CG1-CB 4.2Å; V456-P529 HydrophobicContact CG1-CG 4.38Å; I476-P529 HydrophobicContact CD1-CB 3.72Å; I476-P529 HydrophobicContact CD1-CG 4.14Å; Y484-P529 HydrophobicContact CD1-CB 4.15Å; Y484-P529 HydrophobicContact CE1-CB 4.24Å; P529-Y531 HydrophobicContact CB-CE2 3.84Å; P529-Y531 HydrophobicContact CG-CE2 3.92Å; P529-G536 PolarHBondContact O-N 2.95Å; P529-L537 VanDerWaalsContact CD-O 3.32Å; P529-L537 WeakPolarHBondContact CD-O 3.25Å
530K88.8Confident89.1Confident55 Ų5539 Ų3924%0.23919%0.191CC..EExtended strand (participates in β ladder)trans-100.8112.8-179.4-172.7-171175.8-176.80110.7T482 G483T482-K530 PolarHBondContact N-O 2.78Å; T482-K530 WeakPolarHBondContact OG1-CG 3.36Å; T482-K530 PolarHBondContact OG1-O 2.74Å; G483-K530 WeakPolarHBondContact O-CB 3.46Å; G483-K530 PolarHBondContact O-N 2.86Å
531Y86.7Confident89.2Confident17 Ų1736.6 Ų36.67%0.06719%0.186CC..EExtended strand (participates in β ladder)trans-96.3164178-63.5-91.5000111.8L453 A454 S480 V481 P529 D533 G534L453-Y531 HydrophobicContact CB-CD2 4.01Å; L453-Y531 HydrophobicContact CB-CE2 3.74Å; L453-Y531 HydrophobicContact CD1-CD2 3.63Å; L453-Y531 HydrophobicContact CD1-CE2 4.25Å; L453-Y531 HydrophobicContact CD1-CG 3.8Å; L453-Y531 HydrophobicContact CG-CD2 4.43Å; A454-Y531 PolarHBondContact O-OH 2.98Å; S480-Y531 CarbonylContact O-C 3.55Å; S480-Y531 VanDerWaalsContact O-CA 3.3Å; S480-Y531 WeakPolarHBondContact O-CA 3.2Å; S480-Y531 WeakPolarHBondContact OG-CD1 3.42Å; V481-Y531 HydrophobicContact CG2-CD1 3.75Å; V481-Y531 HydrophobicContact CG2-CE1 3.35Å; P529-Y531 HydrophobicContact CB-CE2 3.84Å; P529-Y531 HydrophobicContact CG-CE2 3.92Å; Y531-D533 PolarHBondContact O-N 2.89Å; Y531-G534 CarbonylContact C-O 3.6Å; Y531-G534 WeakPolarHBondContact CA-O 3.39Å; Y531-G534 WeakPolarHBondContact CB-O 3.44Å; Y531-G534 PolarHBondContact N-O 2.88Å; Y531-G534 PolarHBondContact O-N 2.89Å; Y531-G534 VanDerWaalsContact O-O 3.06Å
532K83.3Confident89.3Confident133 Ų13337.4 Ų37.458%0.57819%0.188SC*.THydrogen-bonded Turntrans-52.7-34.2175.4-74.1170.6175.2164.80113.9S479 S480 T482S479-K532 VanDerWaalsContact O-CE 3.28Å; S479-K532 WeakPolarHBondContact O-CE 3.14Å; S479-K532 PolarHBondContact O-NZ 2.81Å; S480-K532 PolarHBondContact O-N 3.38Å; T482-K532 HydrophobicContact CG2-CB 4.49Å; T482-K532 HydrophobicContact CG2-CG 3.68Å
533D75.8Confident89.4Confident110 Ų11037.7 Ų37.759%0.58819%0.191SC*.THydrogen-bonded Turntrans-115.66.1-172.2-65.2-81.5000114.7R451 Y531R451-D533 PolarHBondContact NE-O 3.4Å; R451-D533 PolarHBondContact NH2-O 2.91Å; Y531-D533 PolarHBondContact O-N 2.89Å
534G79.9Confident89.4Confident0 Ų037.8 Ų37.80%019%0.191CC..EExtended strand (participates in β ladder)trans173.1175.8-172.300000114.4Y531Y531-G534 CarbonylContact C-O 3.6Å; Y531-G534 WeakPolarHBondContact CA-O 3.39Å; Y531-G534 WeakPolarHBondContact CB-O 3.44Å; Y531-G534 PolarHBondContact N-O 2.88Å; Y531-G534 PolarHBondContact O-N 2.89Å; Y531-G534 VanDerWaalsContact O-O 3.06Å
535I85.8Confident89.4Confident7 Ų735.4 Ų35.44%0.03618%0.18CC..EExtended strand (participates in β ladder)trans-103.6137.5166.2-65.2166.7000107.1W363 F448 Y528W363-I535 HydrophobicContact CH2-CD1 3.78Å; W363-I535 HydrophobicContact CH2-CG2 4.27Å; W363-I535 HydrophobicContact CZ3-CD1 3.54Å; F448-I535 HydrophobicContact CB-CB 4.3Å; F448-I535 HydrophobicContact CB-CD1 3.64Å; F448-I535 HydrophobicContact CB-CG1 3.66Å; F448-I535 HydrophobicContact CD2-CD1 3.72Å; F448-I535 HydrophobicContact CD2-CG1 3.99Å; F448-I535 HydrophobicContact CG-CD1 3.93Å; F448-I535 HydrophobicContact CG-CG1 3.83Å; Y528-I535 HydrophobicContact CD1-CG2 3.82Å; Y528-I535 HydrophobicContact CG-CG2 4.28Å
536G86.3Confident89.3Confident0 Ų040.4 Ų40.40%020%0.199CC..  trans-76.5-166.9176.100000113.3H450 P529H450-G536 PolarHBondContact ND1-O 2.91Å; P529-G536 PolarHBondContact O-N 2.95Å
537L86.6Confident89.3Confident90 Ų9042.9 Ų42.947%0.47121%0.21SC..PPolyproline II helixtrans-77.1140.8171-63.2174.5000109.9L453 A455 P529L453-L537 PolarHBondContact O-N 2.87Å; A455-L537 VanDerWaalsContact CA-O 3.29Å; A455-L537 WeakPolarHBondContact CA-O 3.28Å; A455-L537 HydrophobicContact CB-CB 4.25Å; A455-L537 WeakPolarHBondContact CB-O 3.27Å; P529-L537 VanDerWaalsContact CD-O 3.32Å; P529-L537 WeakPolarHBondContact CD-O 3.25Å
538P89.8Confident89.2Confident45 Ų4548.7 Ų48.729%0.29224%0.235SC..PPolyproline II helixtrans-72152.5170.429.3-32000111.4V527 Y528V527-P538 WeakPolarHBondContact O-CA 3.2Å; Y528-P538 HydrophobicContact CD1-CB 3.72Å; Y528-P538 HydrophobicContact CD1-CG 4.11Å; Y528-P538 HydrophobicContact CD2-CB 4.28Å; Y528-P538 HydrophobicContact CE1-CB 3.52Å; Y528-P538 HydrophobicContact CE1-CG 3.54Å; Y528-P538 HydrophobicContact CE2-CB 4.09Å; Y528-P538 HydrophobicContact CG-CB 4.11Å
539Q92.3Very high89.3Confident56 Ų5648.4 Ų48.426%0.26224%0.239SC..EExtended strand (participates in β ladder)trans-100.7136.4148.6-178.4179.80.100107.9V456 V459 S526 V527V456-Q539 HydrophobicContact CG2-CB 3.94Å; V456-Q539 PolarHBondContact O-OE1 3.39Å; V459-Q539 HydrophobicContact CB-CB 4.38Å; V459-Q539 HydrophobicContact CB-CG 3.94Å; V459-Q539 HydrophobicContact CG2-CB 3.79Å; V459-Q539 HydrophobicContact CG2-CG 3.9Å; V459-Q539 VanDerWaalsContact N-OE1 3.08Å; S526-Q539 WeakPolarHBondContact CA-O 3.49Å; V527-Q539 PolarHBondContact N-O 2.77Å; V527-Q539 PolarHBondContact O-N 2.7Å
540T93.1Very high89.5Confident69 Ų6948.7 Ų48.742%0.42324%0.241SC..EExtended strand (participates in β ladder)trans-127.7138.1-171-59.70000110.8E524 I525 S526E524-T540 HydrophobicContact CG-CG2 3.41Å; E524-T540 VanDerWaalsContact CG-CG2 3.41Å; I525-T540 CarbonylContact O-C 3.43Å; I525-T540 VanDerWaalsContact O-CA 3.28Å; I525-T540 WeakPolarHBondContact O-CA 3.37Å; S526-T540 VanDerWaalsContact OG-CG2 3.3Å; S526-T540 WeakPolarHBondContact OG-CG2 3.28Å; S526-T540 PolarHBondContact OG-OG1 2.88Å
541V93.1Very high89.7Confident41 Ų4150 Ų5025%0.24826%0.257CS..EExtended strand (participates in β ladder)trans-140.4142.4-173.9-178.10000110.5V459 V461 I525V459-V541 HydrophobicContact CB-CG2 4.16Å; V459-V541 HydrophobicContact CG1-CG2 3.8Å; V461-V541 HydrophobicContact CG2-CB 4.32Å; V461-V541 HydrophobicContact CG2-CG1 4.21Å; I525-V541 PolarHBondContact N-O 2.93Å; I525-V541 PolarHBondContact O-N 3.03Å
542E92.8Very high90Very high68 Ų6850.5 Ų50.532%0.31826%0.264SS..EExtended strand (participates in β ladder)trans-86.7134.5168.9-178.7178.116600110.4L491 P522 Y523 Y544L491-E542 HydrophobicContact CD1-CB 4.46Å; L491-E542 HydrophobicContact CD1-CG 3.95Å; P522-E542 HydrophobicContact CB-CG 4.44Å; Y523-E542 CarbonylContact O-C 3.46Å; Y523-E542 WeakPolarHBondContact O-CA 3.42Å; E542-Y544 HydrophobicContact CG-CE2 3.98Å; E542-Y544 WeakPolarHBondContact OE1-CE2 3.2Å; E542-Y544 VanDerWaalsContact OE1-CZ 3.32Å; E542-Y544 PolarHBondContact OE1-OH 2.72Å
543A92.9Very high90.4Very high7 Ų745.2 Ų45.26%0.05825%0.245CC..EExtended strand (participates in β ladder)trans-143.8156.8-178.400000113.8V461 L469 Y523 I525V461-A543 HydrophobicContact CB-CB 3.91Å; V461-A543 HydrophobicContact CG1-CB 3.66Å; V461-A543 HydrophobicContact CG2-CB 4.4Å; L469-A543 HydrophobicContact CD1-CB 4.05Å; Y523-A543 PolarHBondContact N-O 3.2Å; Y523-A543 PolarHBondContact O-N 2.7Å; I525-A543 HydrophobicContact CD1-CB 3.85Å
544Y92.8Very high91.2Very high9 Ų940.4 Ų40.44%0.03522%0.221CC..  trans-138.9133.5177.5-62.2-111.9000108.4P522 E542 Q547 G580 I581P522-Y544 HydrophobicContact CB-CE1 3.91Å; P522-Y544 HydrophobicContact CB-CE2 4.14Å; P522-Y544 WeakPolarHBondContact CB-OH 3.25Å; P522-Y544 HydrophobicContact CG-CE1 4.35Å; E542-Y544 HydrophobicContact CG-CE2 3.98Å; E542-Y544 WeakPolarHBondContact OE1-CE2 3.2Å; E542-Y544 VanDerWaalsContact OE1-CZ 3.32Å; E542-Y544 PolarHBondContact OE1-OH 2.72Å; Y544-Q547 HydrophobicContact CG-CG 4.25Å; Y544-G580 VanDerWaalsContact CE1-CA 3.45Å; Y544-G580 VanDerWaalsContact CE1-N 3.29Å; Y544-G580 VanDerWaalsContact CZ-C 3.48Å; Y544-G580 PolarHBondContact OH-O 2.91Å; Y544-I581 HydrophobicContact CD2-CD1 4.3Å; Y544-I581 HydrophobicContact CD2-CG1 3.64Å; Y544-I581 HydrophobicContact CE2-CG1 3.53Å
545S93.3Very high91.7Very high4 Ų445.2 Ų45.23%0.02825%0.246CC..SBendtrans-74.7-33.4177.555.80000113P463 E466P463-S545 VanDerWaalsContact CB-O 3.28Å; P463-S545 WeakPolarHBondContact CB-O 3.33Å; E466-S545 VanDerWaalsContact O-CB 3.32Å; E466-S545 WeakPolarHBondContact O-CB 3.37Å; E466-S545 PolarHBondContact O-OG 2.57Å
546R92.4Very high92.1Very high105 Ų10545.7 Ų45.740%0.39625%0.249SC..SBendtrans-136.6145.8167.5-82.9-75.7-173.572.66.1108.8E466 P519 Y520E466-R546 HydrophobicContact CB-CG 4.26Å; E466-R546 VanDerWaalsContact CD-NH1 3.31Å; E466-R546 HydrophobicContact CG-CG 4.4Å; E466-R546 IonicContact OE1-CZ 3.57Å; E466-R546 IonicContact OE1-NH1 3.61Å; E466-R546 PolarHBondContact OE1-NH1 2.92Å; E466-R546 IonicContact OE1-NH2 3.33Å; E466-R546 PolarHBondContact OE1-NH2 2.71Å; P519-R546 HydrophobicContact CB-CB 3.82Å; P519-R546 HydrophobicContact CB-CG 4.42Å; Y520-R546 VanDerWaalsContact CA-O 3.25Å; Y520-R546 WeakPolarHBondContact CA-O 3.35Å; Y520-R546 HydrophobicContact CD1-CB 4.2Å; Y520-R546 HydrophobicContact CE1-CB 3.82Å; Y520-R546 PolarHBondContact N-O 3.42Å
547Q93.6Very high92.4Very high56 Ų5651 Ų5126%0.26227%0.269SS..  trans-116156.9174.6-60-173.443.900110.1Y544 N579Y544-Q547 HydrophobicContact CG-CG 4.25Å; Q547-N579 CarbonylContact C-O 3.59Å; Q547-N579 VanDerWaalsContact CA-O 3.26Å; Q547-N579 WeakPolarHBondContact CA-O 3.4Å
548K92.4Very high92.6Very high122 Ų12249.8 Ų49.853%0.5327%0.265SS..  trans-140.6160.7172.6-173.7-179.6176-173.80108.7Y520 N579 T627 G629Y520-K548 HydrophobicContact CD1-CB 3.66Å; Y520-K548 HydrophobicContact CE1-CB 3.85Å; K548-N579 HydrophobicContact CB-CB 4.03Å; K548-N579 PolarHBondContact N-O 3.47Å; K548-N579 WeakPolarHBondContact O-CB 3.44Å; K548-T627 PolarHBondContact O-OG1 3.45Å; K548-G629 CarbonylContact C-O 3.59Å; K548-G629 WeakPolarHBondContact CA-O 3.42Å
549A93.5Very high92.6Very high22 Ų2255.1 Ų55.118%0.18228%0.279CS..  trans-44.9142.8162.800000111.3N579 G629 S631A549-N579 PolarHBondContact O-ND2 2.71Å; A549-G629 VanDerWaalsContact N-C 3.35Å; A549-G629 PolarHBondContact N-O 2.74Å; A549-S631 WeakPolarHBondContact CB-O 3.32Å
550P94.9Very high92.3Very high7 Ų755.6 Ų55.65%0.04528%0.282CS..  trans-56.3153.4178-28.438.4000113.3A552 Q577 R578 V625 T627 L632P550-A552 WeakPolarHBondContact CB-O 3.45Å; P550-Q577 CarbonylContact C-O 3.6Å; P550-Q577 WeakPolarHBondContact CA-O 3.13Å; P550-R578 WeakPolarHBondContact CA-O 3.45Å; P550-V625 HydrophobicContact CB-CG1 4.23Å; P550-V625 HydrophobicContact CG-CG1 3.86Å; P550-V625 HydrophobicContact CG-CG2 4.16Å; P550-T627 HydrophobicContact CG-CG2 3.74Å; P550-L632 VanDerWaalsContact O-CD2 3.32Å; P550-L632 WeakPolarHBondContact O-CD2 3.4Å
551S93.1Very high92Very high81 Ų8155.1 Ų55.157%0.56628%0.276SS*.SBendtrans-82.7-18.9172.5-61.10000112.5Q577 N579S551-Q577 PolarHBondContact N-O 3.17Å; S551-N579 PolarHBondContact N-ND2 2.93Å; S551-N579 VanDerWaalsContact N-ND2 3.19Å; S551-N579 PolarHBondContact OG-ND2 3.34Å; S551-N579 PolarHBondContact OG-OD1 2.88Å
552A92.6Very high91.4Very high28 Ų2855.4 Ų55.423%0.23128%0.275CS..  trans-144.7141.4175.700000109.7P550 Q577P550-A552 WeakPolarHBondContact CB-O 3.45Å; A552-Q577 HydrophobicContact CB-CB 4.21Å; A552-Q577 HydrophobicContact CB-CG 4.46Å
553A92.1Very high90.8Very high22 Ų2254.5 Ų54.518%0.18227%0.271CS..PPolyproline II helixtrans-93.3156.4167.300000109.3V625 L632 G634A553-V625 HydrophobicContact CB-CG1 3.98Å; A553-L632 HydrophobicContact CB-CD2 4.33Å; A553-L632 HydrophobicContact CB-CG 4.41Å; A553-G634 VanDerWaalsContact CB-CA 3.43Å
554P92.4Very high90.3Very high10 Ų1057.2 Ų57.27%0.06529%0.29CS..PPolyproline II helixtrans-82.1146.5-177.435.5-34.6000111.2L556 W570 E571 I573 Y585 I623P554-L556 PolarHBondContact O-N 2.9Å; P554-W570 HydrophobicContact CB-CB 4.13Å; P554-W570 HydrophobicContact CB-CG 4.3Å; P554-W570 HydrophobicContact CG-CB 4.35Å; P554-W570 HydrophobicContact CG-CG 4.1Å; P554-E571 WeakPolarHBondContact CB-O 3.44Å; P554-I573 HydrophobicContact CB-CG1 4.07Å; P554-I573 HydrophobicContact CG-CG1 4.28Å; P554-Y585 HydrophobicContact CG-CD1 4.39Å; P554-Y585 HydrophobicContact CG-CE1 3.97Å; P554-I623 HydrophobicContact CG-CD1 4.16Å; P554-I623 HydrophobicContact CG-CG2 4.34Å; P554-I623 VanDerWaalsContact O-CG2 3.25Å; P554-I623 WeakPolarHBondContact O-CG2 3.15Å
555D90.9Very high90.1Very high101 Ų10162 Ų6254%0.5431%0.308SS..PPolyproline II helixtrans-69.6123.9179.7-67.4-47.6000111.9R557 W570D555-R557 PolarHBondContact O-N 3.35Å; D555-W570 VanDerWaalsContact O-CB 3.27Å; D555-W570 WeakPolarHBondContact O-CB 3.05Å
556L92.9Very high90Very high16 Ų1661.9 Ų61.98%0.08431%0.306CS..EExtended strand (participates in β ladder)trans-82.7109.3-179.8-168.459.2000110.1P554 L568 W570 I587 I623 V637P554-L556 PolarHBondContact O-N 2.9Å; L556-L568 HydrophobicContact CD1-CB 3.84Å; L556-L568 HydrophobicContact CD1-CD1 4.26Å; L556-L568 HydrophobicContact CD2-CD1 4.15Å; L556-L568 HydrophobicContact CG-CB 4.45Å; L556-L568 HydrophobicContact CG-CD1 4.33Å; L556-W570 HydrophobicContact CD1-CE3 3.77Å; L556-W570 HydrophobicContact CD1-CZ3 4.31Å; L556-I587 HydrophobicContact CD1-CG1 4.45Å; L556-I587 HydrophobicContact CD2-CG2 4.34Å; L556-I623 HydrophobicContact CB-CG2 4.12Å; L556-I623 HydrophobicContact CD1-CB 4.39Å; L556-I623 HydrophobicContact CD1-CD1 4.42Å; L556-I623 HydrophobicContact CD2-CB 4.29Å; L556-V637 HydrophobicContact CB-CG2 4.46Å; L556-V637 HydrophobicContact CD2-CG2 3.93Å; L556-V637 HydrophobicContact CG-CG2 4.31Å
557R92.3Very high90Very high112 Ų11257.9 Ų57.942%0.42329%0.292SS..EExtended strand (participates in β ladder)trans-106.4143.5-179.2-57.2-173.6-170.8151.612.3110.9D555 L568 T569 E571D555-R557 PolarHBondContact O-N 3.35Å; R557-L568 CarbonylContact O-C 3.54Å; R557-L568 WeakPolarHBondContact O-CA 3.17Å; R557-T569 HydrophobicContact CB-CG2 4.26Å; R557-T569 PolarHBondContact N-O 2.88Å; R557-T569 PolarHBondContact O-N 2.85Å; R557-E571 IonicContact CZ-OE1 3.78Å; R557-E571 IonicContact CZ-OE2 2.71Å; R557-E571 VanDerWaalsContact NH1-CD 3.31Å; R557-E571 IonicContact NH1-OE1 2.71Å; R557-E571 PolarHBondContact NH1-OE1 3.02Å; R557-E571 IonicContact NH1-OE2 3.45Å; R557-E571 IonicContact NH2-OE1 2.77Å; R557-E571 PolarHBondContact NH2-OE1 2.96Å; R557-E571 IonicContact NH2-OE2 3.08Å; R557-E571 PolarHBondContact NH2-OE2 3.45Å
558V91.9Very high90.1Very high65 Ų6555.2 Ų55.239%0.39428%0.28SS..EExtended strand (participates in β ladder)trans-83.9136.9175.1-1680000109.7I561 I566 L568 L639V558-I561 HydrophobicContact CG1-CD1 4Å; V558-I561 HydrophobicContact CG1-CG1 3.52Å; V558-I566 HydrophobicContact CG1-CG2 3.97Å; V558-L568 HydrophobicContact CB-CD2 4.33Å; V558-L568 HydrophobicContact CG1-CD2 4.32Å; V558-L568 HydrophobicContact CG2-CD2 3.91Å; V558-L639 HydrophobicContact CG2-CD2 3.47Å; V558-L639 VanDerWaalsContact CG2-CD2 3.47Å
559R89.4Confident90.2Very high157 Ų15751.6 Ų51.659%0.59227%0.268SS*.EExtended strand (participates in β ladder)trans-113.3-40-179.2-175.8174.1-179.5-119.1-9.6113E567 T569R559-E567 HydrophobicContact CB-CB 4.31Å; R559-E567 HydrophobicContact CB-CG 4.25Å; R559-E567 IonicContact CZ-OE1 3.39Å; R559-E567 IonicContact CZ-OE2 2.77Å; R559-E567 PolarHBondContact N-O 2.96Å; R559-E567 IonicContact NH1-OE1 2.66Å; R559-E567 PolarHBondContact NH1-OE1 2.97Å; R559-E567 IonicContact NH1-OE2 2.68Å; R559-E567 PolarHBondContact NH1-OE2 2.02Å; R559-T569 HydrophobicContact CB-CG2 4.06Å
560E86.7Confident90.2Very high66 Ų6651 Ų5131%0.30826%0.261SS..EExtended strand (participates in β ladder)trans-145.7135.6177-172.3-168.6-122.100108.1L562 R565 I566 E567E560-L562 HydrophobicContact CG-CD1 4.23Å; E560-L562 HydrophobicContact CG-CG 4.31Å; E560-R565 IonicContact OE1-CZ 3.82Å; E560-R565 IonicContact OE1-NH2 2.67Å; E560-R565 PolarHBondContact OE1-NH2 3.34Å; E560-R565 IonicContact OE2-CZ 3.93Å; E560-R565 IonicContact OE2-NE 3.17Å; E560-R565 PolarHBondContact OE2-NE 3.4Å; E560-R565 IonicContact OE2-NH2 2.87Å; E560-R565 PolarHBondContact OE2-NH2 3.36Å; E560-I566 CarbonylContact O-C 3.58Å; E560-I566 WeakPolarHBondContact O-CA 3.12Å; E560-E567 HydrophobicContact CB-CB 4.02Å; E560-E567 PolarHBondContact N-O 3.04Å; E560-E567 PolarHBondContact O-N 2.79Å
561I85.3Confident90Very high59 Ų5956 Ų5630%0.30328%0.284SS..EExtended strand (participates in β ladder)trans-116.7138168.5-59.1179.7000106.7V558 I566 K640 E642V558-I561 HydrophobicContact CG1-CD1 4Å; V558-I561 HydrophobicContact CG1-CG1 3.52Å; I561-I566 HydrophobicContact CG1-CG2 4.48Å; I561-I566 HydrophobicContact CG2-CD1 4.39Å; I561-I566 HydrophobicContact CG2-CG1 4.25Å; I561-K640 WeakPolarHBondContact CG2-O 3.46Å; I561-E642 HydrophobicContact CG2-CG 3.96Å
562L81.9Confident89.8Confident46 Ų4656.3 Ų56.324%0.24128%0.276CS..EExtended strand (participates in β ladder)trans-147.4164.8173.1-80.9168.1000110.3E560 S564 R565E560-L562 HydrophobicContact CG-CD1 4.23Å; E560-L562 HydrophobicContact CG-CG 4.31Å; L562-S564 PolarHBondContact O-N 3.24Å; L562-R565 HydrophobicContact CB-CG 3.93Å; L562-R565 HydrophobicContact CD1-CG 4Å; L562-R565 VanDerWaalsContact CD1-NH2 3.3Å; L562-R565 PolarHBondContact N-O 2.93Å; L562-R565 PolarHBondContact O-N 2.88Å
563H79.3Confident89.7Confident50 Ų5055.1 Ų55.123%0.23127%0.266CS..THydrogen-bonded Turntrans-36.3-34.2178.8-52.8103.9000118P643 D645H563-P643 PolarHBondContact CD2-O 3.31Å; H563-P643 PolarHBondContact NE2-O 3.48Å; H563-P643 VanDerWaalsContact NE2-O 3.15Å; H563-D645 PolarHBondContact NE2-N 3.43Å
564S83.4Confident89.6Confident63 Ų6357.5 Ų57.544%0.44128%0.28SS..THydrogen-bonded Turntrans-149.115.7-178.371.10000114.2L562 E612L562-S564 PolarHBondContact O-N 3.24Å; S564-E612 PolarHBondContact O-N 2.64Å
565R88.3Confident89.3Confident111 Ų11159.4 Ų59.442%0.41929%0.289SS..EExtended strand (participates in β ladder)trans-146.7148.1174.778.1172.5-164-121.21.9110.9E560 L562 V609 L610E560-R565 IonicContact OE1-CZ 3.82Å; E560-R565 IonicContact OE1-NH2 2.67Å; E560-R565 PolarHBondContact OE1-NH2 3.34Å; E560-R565 IonicContact OE2-CZ 3.93Å; E560-R565 IonicContact OE2-NE 3.17Å; E560-R565 PolarHBondContact OE2-NE 3.4Å; E560-R565 IonicContact OE2-NH2 2.87Å; E560-R565 PolarHBondContact OE2-NH2 3.36Å; L562-R565 HydrophobicContact CB-CG 3.93Å; L562-R565 HydrophobicContact CD1-CG 4Å; L562-R565 VanDerWaalsContact CD1-NH2 3.3Å; L562-R565 PolarHBondContact N-O 2.93Å; L562-R565 PolarHBondContact O-N 2.88Å; R565-V609 HydrophobicContact CB-CG1 4.25Å; R565-L610 WeakPolarHBondContact CA-O 3.44Å; R565-L610 WeakPolarHBondContact CB-O 3.34Å
566I90.9Very high89.1Confident0 Ų058.8 Ų58.80%029%0.292CS..EExtended strand (participates in β ladder)trans-135.1127.5172.5-63.7179.9000108.3V558 E560 I561 L568 V609 L610 L613 L639 T641V558-I566 HydrophobicContact CG1-CG2 3.97Å; E560-I566 CarbonylContact O-C 3.58Å; E560-I566 WeakPolarHBondContact O-CA 3.12Å; I561-I566 HydrophobicContact CG1-CG2 4.48Å; I561-I566 HydrophobicContact CG2-CD1 4.39Å; I561-I566 HydrophobicContact CG2-CG1 4.25Å; I566-L568 HydrophobicContact CG2-CD2 3.71Å; I566-L568 HydrophobicContact CG2-CG 4.16Å; I566-V609 WeakPolarHBondContact O-CA 3.45Å; I566-L610 PolarHBondContact N-O 2.92Å; I566-L610 VanDerWaalsContact N-O 3.1Å; I566-L610 PolarHBondContact O-N 2.89Å; I566-L613 HydrophobicContact CB-CD1 4.08Å; I566-L613 HydrophobicContact CD1-CD1 3.82Å; I566-L613 HydrophobicContact CG1-CD1 3.65Å; I566-L639 HydrophobicContact CD1-CB 3.88Å; I566-T641 HydrophobicContact CD1-CG2 4.11Å; I566-T641 HydrophobicContact CG1-CG2 4.49Å
567E92.8Very high88.9Confident21 Ų2161.8 Ų61.810%0.09831%0.305CS..EExtended strand (participates in β ladder)trans-93.3128.3170.9-169.8179.9179.800110.2R559 E560 R607 V608 V609R559-E567 HydrophobicContact CB-CB 4.31Å; R559-E567 HydrophobicContact CB-CG 4.25Å; R559-E567 IonicContact CZ-OE1 3.39Å; R559-E567 IonicContact CZ-OE2 2.77Å; R559-E567 PolarHBondContact N-O 2.96Å; R559-E567 IonicContact NH1-OE1 2.66Å; R559-E567 PolarHBondContact NH1-OE1 2.97Å; R559-E567 IonicContact NH1-OE2 2.68Å; R559-E567 PolarHBondContact NH1-OE2 2.02Å; E560-E567 HydrophobicContact CB-CB 4.02Å; E560-E567 PolarHBondContact N-O 3.04Å; E560-E567 PolarHBondContact O-N 2.79Å; E567-R607 WeakPolarHBondContact OE1-CD 3.3Å; E567-V608 WeakPolarHBondContact CA-O 3.28Å; E567-V609 HydrophobicContact CB-CG2 4.26Å; E567-V609 HydrophobicContact CG-CG2 4.01Å
568L94Very high88.8Confident0 Ų058.2 Ų58.20%029%0.292CS..EExtended strand (participates in β ladder)trans-118.9147178.7-54.9173.4000109.7L556 R557 V558 I566 I587 R607 V608 L610 L639L556-L568 HydrophobicContact CD1-CB 3.84Å; L556-L568 HydrophobicContact CD1-CD1 4.26Å; L556-L568 HydrophobicContact CD2-CD1 4.15Å; L556-L568 HydrophobicContact CG-CB 4.45Å; L556-L568 HydrophobicContact CG-CD1 4.33Å; R557-L568 CarbonylContact O-C 3.54Å; R557-L568 WeakPolarHBondContact O-CA 3.17Å; V558-L568 HydrophobicContact CB-CD2 4.33Å; V558-L568 HydrophobicContact CG1-CD2 4.32Å; V558-L568 HydrophobicContact CG2-CD2 3.91Å; I566-L568 HydrophobicContact CG2-CD2 3.71Å; I566-L568 HydrophobicContact CG2-CG 4.16Å; L568-I587 HydrophobicContact CD1-CG2 4.17Å; L568-R607 CarbonylContact O-C 3.51Å; L568-R607 WeakPolarHBondContact O-CA 3.02Å; L568-R607 WeakPolarHBondContact O-CB 3.4Å; L568-V608 HydrophobicContact CB-CG1 4.04Å; L568-V608 HydrophobicContact CD1-CG1 4.35Å; L568-V608 PolarHBondContact N-O 2.89Å; L568-V608 PolarHBondContact O-N 3.03Å; L568-L610 HydrophobicContact CD1-CD1 3.8Å; L568-L610 HydrophobicContact CD1-CG 4.02Å; L568-L639 HydrophobicContact CD1-CD1 4.02Å; L568-L639 HydrophobicContact CD2-CD1 4.08Å; L568-L639 HydrophobicContact CD2-CD2 3.85Å
569T94.8Very high88.8Confident47 Ų4756.2 Ų56.229%0.28828%0.279SS..EExtended strand (participates in β ladder)trans-145.2153.3-175.8-172.70000110.5R557 R559 R606R557-T569 HydrophobicContact CB-CG2 4.26Å; R557-T569 PolarHBondContact N-O 2.88Å; R557-T569 PolarHBondContact O-N 2.85Å; R559-T569 HydrophobicContact CB-CG2 4.06Å; T569-R606 WeakPolarHBondContact CA-O 3.42Å; T569-R606 PolarHBondContact OG1-O 2.9Å
570W93.8Very high88.9Confident9 Ų948.7 Ų48.73%0.03425%0.251CS..EExtended strand (participates in β ladder)trans-148.2158.5-17956.994.8000112.7P554 D555 L556 Y585 I587 A601 R606 V608 I623P554-W570 HydrophobicContact CB-CB 4.13Å; P554-W570 HydrophobicContact CB-CG 4.3Å; P554-W570 HydrophobicContact CG-CB 4.35Å; P554-W570 HydrophobicContact CG-CG 4.1Å; D555-W570 VanDerWaalsContact O-CB 3.27Å; D555-W570 WeakPolarHBondContact O-CB 3.05Å; L556-W570 HydrophobicContact CD1-CE3 3.77Å; L556-W570 HydrophobicContact CD1-CZ3 4.31Å; W570-Y585 HydrophobicContact CZ2-CD2 4.02Å; W570-Y585 AromaticContact CZ2-CG 3.94Å; W570-Y585 HydrophobicContact CZ2-CG 3.94Å; W570-Y585 AromaticContact NE1-CD1 3.69Å; W570-Y585 AromaticContact NE1-CD2 3.74Å; W570-Y585 AromaticContact NE1-CE1 3.72Å; W570-Y585 AromaticContact NE1-CE2 3.77Å; W570-Y585 AromaticContact NE1-CG 3.71Å; W570-Y585 AromaticContact NE1-CZ 3.76Å; W570-I587 HydrophobicContact CH2-CD1 3.91Å; W570-I587 HydrophobicContact CZ3-CD1 4.1Å; W570-A601 HydrophobicContact CH2-CB 3.48Å; W570-A601 VanDerWaalsContact CH2-CB 3.48Å; W570-A601 HydrophobicContact CZ2-CB 3.85Å; W570-R606 PolarHBondContact N-O 2.78Å; W570-V608 HydrophobicContact CH2-CB 4.3Å; W570-V608 HydrophobicContact CZ3-CB 4.32Å; W570-V608 HydrophobicContact CZ3-CG1 4.11Å; W570-I623 HydrophobicContact CD2-CD1 3.51Å; W570-I623 HydrophobicContact CE3-CD1 3.86Å; W570-I623 HydrophobicContact CG-CD1 3.91Å; W570-I623 HydrophobicContact CH2-CD1 4.34Å; W570-I623 HydrophobicContact CZ2-CD1 4Å; W570-I623 HydrophobicContact CZ3-CD1 4.27Å
571E91.8Very high89.1Confident112 Ų11249.1 Ų49.152%0.52325%0.254SS..PPolyproline II helixtrans-84.6169.8178.8-75.8176.4179.300112.5P554 R557P554-E571 WeakPolarHBondContact CB-O 3.44Å; R557-E571 IonicContact CZ-OE1 3.78Å; R557-E571 IonicContact CZ-OE2 2.71Å; R557-E571 VanDerWaalsContact NH1-CD 3.31Å; R557-E571 IonicContact NH1-OE1 2.71Å; R557-E571 PolarHBondContact NH1-OE1 3.02Å; R557-E571 IonicContact NH1-OE2 3.45Å; R557-E571 IonicContact NH2-OE1 2.77Å; R557-E571 PolarHBondContact NH2-OE1 2.96Å; R557-E571 IonicContact NH2-OE2 3.08Å; R557-E571 PolarHBondContact NH2-OE2 3.45Å
572E88.7Confident89.4Confident87 Ų8747.4 Ų47.441%0.40725%0.246SC..PPolyproline II helixtrans-82.2128.7-178.8-149.2179.9152.500111.2P574 R578 R606E572-P574 WeakPolarHBondContact O-CD 3.37Å; E572-R578 VanDerWaalsContact CD-NH2 3.28Å; E572-R578 IonicContact OE1-CZ 3.6Å; E572-R578 IonicContact OE1-NH1 3.69Å; E572-R578 PolarHBondContact OE1-NH1 3.43Å; E572-R578 IonicContact OE1-NH2 3.22Å; E572-R578 PolarHBondContact OE1-NH2 3.26Å; E572-R606 IonicContact OE1-NH2 3.18Å; E572-R606 IonicContact OE2-CZ 3.71Å; E572-R606 IonicContact OE2-NH1 3.32Å; E572-R606 PolarHBondContact OE2-NH1 2.87Å; E572-R606 IonicContact OE2-NH2 2.84Å; E572-R606 PolarHBondContact OE2-NH2 2.81Å
573I90.3Very high89.9Confident4 Ų451 Ų512%0.02126%0.262CS..PPolyproline II helixtrans-59.1128175.4-54.7169.7000109P554 Q577 R578 Y585 V625P554-I573 HydrophobicContact CB-CG1 4.07Å; P554-I573 HydrophobicContact CG-CG1 4.28Å; I573-Q577 HydrophobicContact CG2-CB 3.9Å; I573-R578 HydrophobicContact CB-CG 4.03Å; I573-R578 HydrophobicContact CG2-CG 3.86Å; I573-R578 VanDerWaalsContact O-CZ 3.28Å; I573-R578 PolarHBondContact O-NE 2.92Å; I573-R578 PolarHBondContact O-NH2 2.98Å; I573-Y585 HydrophobicContact CD1-CE1 4.37Å; I573-V625 HydrophobicContact CD1-CB 4.27Å; I573-V625 HydrophobicContact CD1-CG1 4Å; I573-V625 HydrophobicContact CD1-CG2 3.78Å
574P89.4Confident90.5Very high71 Ų7149.6 Ų49.646%0.46126%0.258SS..PPolyproline II helixtrans-54.1139.2173.6-2835.3000112.2E572 C576 Q577 R578E572-P574 WeakPolarHBondContact O-CD 3.37Å; P574-C576 PolarHBondContact O-N 3.3Å; P574-C576 VanDerWaalsContact O-N 3.12Å; P574-Q577 WeakPolarHBondContact O-CA 3.49Å; P574-Q577 PolarHBondContact O-N 3.44Å; P574-R578 PolarHBondContact O-N 3.34Å
575L87.1Confident91.1Very high51 Ų5147.2 Ų47.227%0.26724%0.239SC..Hα-helixtrans-50.6-42-176.7-75.8166.9000113.1L491 P522 Q577 R578L491-L575 HydrophobicContact CB-CD1 4.17Å; P522-L575 HydrophobicContact CB-CD2 4.43Å; P522-L575 HydrophobicContact CG-CB 4.18Å; P522-L575 HydrophobicContact CG-CD2 4.16Å; L575-Q577 PolarHBondContact O-N 3.48Å; L575-Q577 VanDerWaalsContact O-N 3.08Å; L575-R578 PolarHBondContact O-N 2.95Å
576C85.4Confident91.4Very high88 Ų8844.5 Ų44.560%0.59523%0.231SC*.Hα-helixtrans-66-5.9178.4-47.20000114.8P574P574-C576 PolarHBondContact O-N 3.3Å; P574-C576 VanDerWaalsContact O-N 3.12Å
577Q89.6Confident91.6Very high79 Ų7944.5 Ų44.537%0.36923%0.231SC..Hα-helixtrans-118.7-8.1-178.7-67175.4-2000113P550 S551 A552 I573 P574 L575P550-Q577 CarbonylContact C-O 3.6Å; P550-Q577 WeakPolarHBondContact CA-O 3.13Å; S551-Q577 PolarHBondContact N-O 3.17Å; A552-Q577 HydrophobicContact CB-CB 4.21Å; A552-Q577 HydrophobicContact CB-CG 4.46Å; I573-Q577 HydrophobicContact CG2-CB 3.9Å; P574-Q577 WeakPolarHBondContact O-CA 3.49Å; P574-Q577 PolarHBondContact O-N 3.44Å; L575-Q577 PolarHBondContact O-N 3.48Å; L575-Q577 VanDerWaalsContact O-N 3.08Å
578R90.1Very high91.6Very high37 Ų3745.4 Ų45.414%0.1424%0.235CC..Hα-helixtrans-72.7-37.5-179.6-63.8-179.7-165.1-173.20.8113.3P550 E572 I573 P574 L575 G580P550-R578 WeakPolarHBondContact CA-O 3.45Å; E572-R578 VanDerWaalsContact CD-NH2 3.28Å; E572-R578 IonicContact OE1-CZ 3.6Å; E572-R578 IonicContact OE1-NH1 3.69Å; E572-R578 PolarHBondContact OE1-NH1 3.43Å; E572-R578 IonicContact OE1-NH2 3.22Å; E572-R578 PolarHBondContact OE1-NH2 3.26Å; I573-R578 HydrophobicContact CB-CG 4.03Å; I573-R578 HydrophobicContact CG2-CG 3.86Å; I573-R578 VanDerWaalsContact O-CZ 3.28Å; I573-R578 PolarHBondContact O-NE 2.92Å; I573-R578 PolarHBondContact O-NH2 2.98Å; P574-R578 PolarHBondContact O-N 3.34Å; L575-R578 PolarHBondContact O-N 2.95Å; R578-G580 WeakPolarHBondContact CB-O 3.31Å; R578-G580 PolarHBondContact O-N 2.95Å
579N91.3Very high91.6Very high22 Ų2246 Ų4612%0.11824%0.237CC..  trans55.510.6-173.6-49.3-27000115.6Y520 Q547 K548 A549 S551Y520-N579 WeakPolarHBondContact O-CA 3.28Å; Q547-N579 CarbonylContact C-O 3.59Å; Q547-N579 VanDerWaalsContact CA-O 3.26Å; Q547-N579 WeakPolarHBondContact CA-O 3.4Å; K548-N579 HydrophobicContact CB-CB 4.03Å; K548-N579 PolarHBondContact N-O 3.47Å; K548-N579 WeakPolarHBondContact O-CB 3.44Å; A549-N579 PolarHBondContact O-ND2 2.71Å; S551-N579 PolarHBondContact N-ND2 2.93Å; S551-N579 VanDerWaalsContact N-ND2 3.19Å; S551-N579 PolarHBondContact OG-ND2 3.34Å; S551-N579 PolarHBondContact OG-OD1 2.88Å
580G91.6Very high91.6Very high0 Ų046.3 Ų46.30%023%0.233CC..SBendtrans170.5177.4-175.200000112.7Y544 R578Y544-G580 VanDerWaalsContact CE1-CA 3.45Å; Y544-G580 VanDerWaalsContact CE1-N 3.29Å; Y544-G580 VanDerWaalsContact CZ-C 3.48Å; Y544-G580 PolarHBondContact OH-O 2.91Å; R578-G580 WeakPolarHBondContact CB-O 3.31Å; R578-G580 PolarHBondContact O-N 2.95Å
581I91.4Very high91.4Very high75 Ų7546.7 Ų46.739%0.38524%0.236SC..  trans-78.4126.1174.8-57176.3000107.7Y544 Q583 T627Y544-I581 HydrophobicContact CD2-CD1 4.3Å; Y544-I581 HydrophobicContact CD2-CG1 3.64Å; Y544-I581 HydrophobicContact CE2-CG1 3.53Å; I581-Q583 PolarHBondContact O-N 3.36Å; I581-T627 VanDerWaalsContact O-CA 3.3Å; I581-T627 WeakPolarHBondContact O-CA 3.43Å; I581-T627 WeakPolarHBondContact O-CB 3.48Å
582V91.9Very high91.1Very high22 Ų2248.8 Ų48.813%0.13325%0.246CC..EExtended strand (participates in β ladder)trans-67.5125.5175.7178.80000109.4Y585 L603 V625V582-Y585 HydrophobicContact CG1-CD2 4.45Å; V582-Y585 HydrophobicContact CG1-CE1 4.17Å; V582-Y585 HydrophobicContact CG1-CE2 3.96Å; V582-L603 HydrophobicContact CG1-CD2 4.28Å; V582-L603 VanDerWaalsContact O-CD2 3.25Å; V582-L603 WeakPolarHBondContact O-CD2 3.43Å; V582-V625 HydrophobicContact CG1-CG2 3.81Å; V582-V625 HydrophobicContact CG2-CG2 4.14Å
583Q91.8Very high90.9Very high122 Ų12251.4 Ų51.457%0.5726%0.258SS*.EExtended strand (participates in β ladder)trans-101.8-31.6-179.9-67.9-174.4-24.900112.6I581 S626I581-Q583 PolarHBondContact O-N 3.36Å; Q583-S626 PolarHBondContact N-O 3.29Å
584S92.8Very high90.5Very high21 Ų2153.3 Ų53.315%0.14728%0.278CS..EExtended strand (participates in β ladder)trans-157.8155.1175.964.70000113S626S584-S626 PolarHBondContact N-O 2.74Å; S584-S626 PolarHBondContact O-N 3.22Å; S584-S626 WeakPolarHBondContact OG-CB 3.42Å
585Y94.5Very high90.4Very high12 Ų1254.6 Ų54.65%0.04728%0.281CS..EExtended strand (participates in β ladder)trans-114.4126.2160.4-65-71.4000107.7P554 W570 I573 V582 T600 A601 I623 M624 V625P554-Y585 HydrophobicContact CG-CD1 4.39Å; P554-Y585 HydrophobicContact CG-CE1 3.97Å; W570-Y585 HydrophobicContact CZ2-CD2 4.02Å; W570-Y585 AromaticContact CZ2-CG 3.94Å; W570-Y585 HydrophobicContact CZ2-CG 3.94Å; W570-Y585 AromaticContact NE1-CD1 3.69Å; W570-Y585 AromaticContact NE1-CD2 3.74Å; W570-Y585 AromaticContact NE1-CE1 3.72Å; W570-Y585 AromaticContact NE1-CE2 3.77Å; W570-Y585 AromaticContact NE1-CG 3.71Å; W570-Y585 AromaticContact NE1-CZ 3.76Å; I573-Y585 HydrophobicContact CD1-CE1 4.37Å; V582-Y585 HydrophobicContact CG1-CD2 4.45Å; V582-Y585 HydrophobicContact CG1-CE1 4.17Å; V582-Y585 HydrophobicContact CG1-CE2 3.96Å; Y585-T600 WeakPolarHBondContact O-CA 3.47Å; Y585-A601 PolarHBondContact O-N 3.44Å; Y585-I623 HydrophobicContact CD1-CD1 3.97Å; Y585-I623 HydrophobicContact CD1-CG1 4.39Å; Y585-I623 HydrophobicContact CG-CD1 4.34Å; Y585-M624 WeakPolarHBondContact CA-O 3.32Å; Y585-V625 HydrophobicContact CD1-CB 3.95Å; Y585-V625 HydrophobicContact CD1-CG2 3.94Å; Y585-V625 HydrophobicContact CE1-CB 3.99Å; Y585-V625 HydrophobicContact CE1-CG2 3.63Å
586Q94.6Very high90.6Very high54 Ų5456.2 Ų56.225%0.25229%0.293SS..EExtended strand (participates in β ladder)trans-123.6123.7178.8-70.9-177.4-22.700109.5F588 V598 T600 M624Q586-F588 HydrophobicContact CB-CD2 4.37Å; Q586-F588 HydrophobicContact CB-CE2 3.78Å; Q586-V598 HydrophobicContact CB-CG1 4.36Å; Q586-T600 HydrophobicContact CG-CG2 4.31Å; Q586-M624 HydrophobicContact CB-CB 4.46Å; Q586-M624 PolarHBondContact N-O 2.82Å; Q586-M624 PolarHBondContact O-N 2.95Å
587I95.1Very high90.9Very high0 Ų055.8 Ų55.80%028%0.281CS..EExtended strand (participates in β ladder)trans-99.1115.2178-63.676.4000107.5L556 L568 W570 V598 V599 A601 V608 L610 F622 I623L556-I587 HydrophobicContact CD1-CG1 4.45Å; L556-I587 HydrophobicContact CD2-CG2 4.34Å; L568-I587 HydrophobicContact CD1-CG2 4.17Å; W570-I587 HydrophobicContact CH2-CD1 3.91Å; W570-I587 HydrophobicContact CZ3-CD1 4.1Å; I587-V598 WeakPolarHBondContact O-CA 3.41Å; I587-V599 PolarHBondContact N-O 3.26Å; I587-V599 PolarHBondContact O-N 3.17Å; I587-A601 HydrophobicContact CD1-CB 3.99Å; I587-V608 HydrophobicContact CB-CG1 4.42Å; I587-V608 HydrophobicContact CD1-CB 4.24Å; I587-V608 HydrophobicContact CD1-CG1 3.79Å; I587-V608 HydrophobicContact CG1-CG1 3.85Å; I587-L610 HydrophobicContact CG2-CD2 4.35Å; I587-F622 WeakPolarHBondContact CA-O 3.41Å; I587-I623 HydrophobicContact CD1-CD1 4.18Å; I587-I623 HydrophobicContact CD1-CG1 4.36Å; I587-I623 HydrophobicContact CG1-CB 4.41Å; I587-I623 HydrophobicContact CG1-CD1 4.37Å; I587-I623 HydrophobicContact CG1-CG1 4.31Å
588F94.5Very high91.1Very high41 Ų4155.3 Ų55.318%0.1828%0.284CS..EExtended strand (participates in β ladder)trans-93.9131.2173.2-69.4-102.8000107.6Q586 T596 V598 A621 F622 M624Q586-F588 HydrophobicContact CB-CD2 4.37Å; Q586-F588 HydrophobicContact CB-CE2 3.78Å; F588-T596 HydrophobicContact CD1-CG2 4.32Å; F588-V598 HydrophobicContact CD1-CB 4.45Å; F588-V598 HydrophobicContact CD1-CG1 4.16Å; F588-V598 HydrophobicContact CD1-CG2 3.49Å; F588-V598 VanDerWaalsContact CD1-CG2 3.49Å; F588-V598 HydrophobicContact CD2-CG1 4.3Å; F588-V598 HydrophobicContact CE1-CB 4.47Å; F588-V598 HydrophobicContact CE1-CG1 3.98Å; F588-V598 HydrophobicContact CE1-CG2 3.57Å; F588-V598 HydrophobicContact CE2-CG1 4.11Å; F588-V598 HydrophobicContact CG-CG1 4.3Å; F588-V598 HydrophobicContact CG-CG2 4.24Å; F588-V598 HydrophobicContact CZ-CG1 3.95Å; F588-V598 HydrophobicContact CZ-CG2 4.37Å; F588-A621 CarbonylContact O-C 3.46Å; F588-A621 WeakPolarHBondContact O-CA 3.48Å; F588-F622 HydrophobicContact CB-CD1 4.3Å; F588-F622 HydrophobicContact CB-CD2 4.46Å; F588-F622 HydrophobicContact CB-CE1 3.83Å; F588-F622 HydrophobicContact CB-CE2 4.01Å; F588-F622 HydrophobicContact CB-CZ 3.66Å; F588-F622 HydrophobicContact CD1-CZ 4.38Å; F588-F622 HydrophobicContact CD2-CD2 4.44Å; F588-F622 AromaticContact CD2-CE2 3.7Å; F588-F622 HydrophobicContact CD2-CE2 3.7Å; F588-F622 AromaticContact CD2-CZ 3.98Å; F588-F622 HydrophobicContact CD2-CZ 3.98Å; F588-F622 HydrophobicContact CE2-CE2 4.46Å; F588-F622 HydrophobicContact CG-CE1 4.41Å; F588-F622 AromaticContact CG-CE2 3.96Å; F588-F622 HydrophobicContact CG-CE2 3.96Å; F588-F622 AromaticContact CG-CZ 3.75Å; F588-F622 HydrophobicContact CG-CZ 3.75Å; F588-F622 PolarHBondContact N-O 2.85Å; F588-F622 PolarHBondContact O-N 2.79Å; F588-M624 HydrophobicContact CD2-CB 4.12Å; F588-M624 HydrophobicContact CE2-CB 3.77Å; F588-M624 HydrophobicContact CE2-CE 3.66Å; F588-M624 HydrophobicContact CE2-SD 4.06Å; F588-M624 HydrophobicContact CZ-CE 3.8Å; F588-M624 HydrophobicContact CZ-SD 4.41Å
589Y93.6Very high91.3Very high11 Ų1155.7 Ų55.74%0.04329%0.29CS..EExtended strand (participates in β ladder)trans-146.3145.1176.867.1-76.5000111.8T596 K597 V599 L610 L613 Y619 K620Y589-T596 CarbonylContact O-C 3.57Å; Y589-T596 WeakPolarHBondContact O-CA 3.19Å; Y589-K597 HydrophobicContact CD1-CB 4.16Å; Y589-K597 WeakPolarHBondContact CD1-O 3.26Å; Y589-K597 HydrophobicContact CD2-CB 4.34Å; Y589-K597 HydrophobicContact CE1-CB 3.56Å; Y589-K597 HydrophobicContact CE2-CB 3.78Å; Y589-K597 HydrophobicContact CE2-CD 3.75Å; Y589-K597 HydrophobicContact CE2-CG 4.31Å; Y589-K597 PolarHBondContact N-O 2.91Å; Y589-K597 PolarHBondContact O-N 2.87Å; Y589-K597 WeakPolarHBondContact OH-CD 3.32Å; Y589-V599 HydrophobicContact CE1-CG2 4.05Å; Y589-L610 HydrophobicContact CD1-CD1 4.05Å; Y589-L610 HydrophobicContact CD1-CD2 3.88Å; Y589-L610 HydrophobicContact CD2-CD1 4.06Å; Y589-L610 HydrophobicContact CE1-CD1 4.38Å; Y589-L610 HydrophobicContact CE1-CD2 3.69Å; Y589-L610 HydrophobicContact CE2-CD1 4.37Å; Y589-L610 HydrophobicContact CG-CD1 3.88Å; Y589-L613 HydrophobicContact CD2-CD2 4.03Å; Y589-L613 HydrophobicContact CE2-CD2 3.5Å; Y589-L613 VanDerWaalsContact CE2-CD2 3.5Å; Y589-Y619 HydrophobicContact CD2-CD1 4.15Å; Y589-K620 CarbonylContact C-O 3.52Å; Y589-K620 WeakPolarHBondContact CA-O 3.39Å; Y589-K620 WeakPolarHBondContact CB-O 3.49Å
590W93.8Very high91.4Very high54 Ų5458.6 Ų58.621%0.20531%0.309CS..EExtended strand (participates in β ladder)trans-143.8153.6-177.761.4101.7000111.1Y619 K620 F622 E636W590-Y619 CarbonylContact O-C 3.53Å; W590-Y619 VanDerWaalsContact O-CA 3.27Å; W590-Y619 WeakPolarHBondContact O-CA 3.37Å; W590-Y619 WeakPolarHBondContact O-CD1 3.19Å; W590-K620 HydrophobicContact CD2-CB 3.97Å; W590-K620 VanDerWaalsContact CE2-CB 3.45Å; W590-K620 HydrophobicContact CE3-CB 4.47Å; W590-K620 HydrophobicContact CH2-CB 4.04Å; W590-K620 HydrophobicContact CZ2-CB 3.51Å; W590-K620 HydrophobicContact CZ2-CD 4.02Å; W590-K620 HydrophobicContact CZ2-CG 4.38Å; W590-K620 HydrophobicContact CZ3-CB 4.49Å; W590-K620 PolarHBondContact N-O 2.87Å; W590-K620 PolarHBondContact O-N 3.35Å; W590-F622 AromaticContact CH2-CD1 3.73Å; W590-F622 HydrophobicContact CH2-CD1 3.73Å; W590-F622 AromaticContact CH2-CE1 3.97Å; W590-F622 HydrophobicContact CH2-CE1 3.97Å; W590-F622 AromaticContact CZ3-CD1 3.56Å; W590-F622 HydrophobicContact CZ3-CD1 3.56Å; W590-F622 AromaticContact CZ3-CE1 3.66Å; W590-F622 HydrophobicContact CZ3-CE1 3.66Å; W590-E636 HydrophobicContact CH2-CG 4.04Å; W590-E636 HydrophobicContact CZ2-CG 4.32Å; W590-E636 WeakPolarHBondContact CZ2-OE2 3.4Å
591D90Very high91.4Very high17 Ų1759 Ų599%0.09131%0.312CS..EExtended strand (participates in β ladder)trans-83.1-179.1173.756.718.8000111.7Q593 G594 N595 Y619D591-Q593 PolarHBondContact O-N 3.5Å; D591-Q593 WeakPolarHBondContact OD1-CA 3.15Å; D591-Q593 WeakPolarHBondContact OD1-CB 3.45Å; D591-Q593 PolarHBondContact OD1-N 2.85Å; D591-Q593 VanDerWaalsContact OD1-N 3.15Å; D591-Q593 PolarHBondContact OD2-OE1 3.27Å; D591-G594 PolarHBondContact O-N 3.47Å; D591-G594 VanDerWaalsContact O-N 3.14Å; D591-G594 PolarHBondContact OD1-N 2.89Å; D591-N595 PolarHBondContact OD1-N 2.96Å; D591-N595 PolarHBondContact OD1-ND2 3.14Å; D591-N595 WeakPolarHBondContact OD2-CB 3.47Å; D591-N595 PolarHBondContact OD2-ND2 2.85Å; D591-Y619 HydrophobicContact CB-CD1 4.07Å; D591-Y619 HydrophobicContact CB-CE1 3.7Å
592E85.3Confident91.3Very high156 Ų15660.9 Ų60.973%0.72932%0.319SS*.THydrogen-bonded Turntrans-66.2-15.9176.7-60.6-172.3165.800113.1S618E592-S618 VanDerWaalsContact OE1-CB 3.29Å; E592-S618 WeakPolarHBondContact OE1-CB 3.34Å
593Q84.2Confident90.9Very high143 Ų14363.4 Ų63.467%0.66833%0.332SS*.THydrogen-bonded Turntrans-87.2-11.9176.2-61.576.211.800112.9D591D591-Q593 PolarHBondContact O-N 3.5Å; D591-Q593 WeakPolarHBondContact OD1-CA 3.15Å; D591-Q593 WeakPolarHBondContact OD1-CB 3.45Å; D591-Q593 PolarHBondContact OD1-N 2.85Å; D591-Q593 VanDerWaalsContact OD1-N 3.15Å; D591-Q593 PolarHBondContact OD2-OE1 3.27Å
594G81.8Confident90.6Very high43 Ų4366.1 Ų66.144%0.44334%0.344SS..  trans9015.4178.300000115.5D591 T596D591-G594 PolarHBondContact O-N 3.47Å; D591-G594 VanDerWaalsContact O-N 3.14Å; D591-G594 PolarHBondContact OD1-N 2.89Å; G594-T596 PolarHBondContact O-N 3.43Å
595N88.3Confident90.2Very high98 Ų9869.9 Ų69.952%0.52436%0.358SS..  trans-75.584.2179.5-60.8-60.6000111.5D591 K597D591-N595 PolarHBondContact OD1-N 2.96Å; D591-N595 PolarHBondContact OD1-ND2 3.14Å; D591-N595 WeakPolarHBondContact OD2-CB 3.47Å; D591-N595 PolarHBondContact OD2-ND2 2.85Å; N595-K597 PolarHBondContact O-N 3.16Å
596T90.6Very high89.9Confident85 Ų8573.5 Ų73.552%0.52137%0.371SS..  trans-68120179.8-54.40000112.8F588 Y589 G594 V598F588-T596 HydrophobicContact CD1-CG2 4.32Å; Y589-T596 CarbonylContact O-C 3.57Å; Y589-T596 WeakPolarHBondContact O-CA 3.19Å; G594-T596 PolarHBondContact O-N 3.43Å; T596-V598 HydrophobicContact CG2-CG2 4.39Å
597K91.7Very high89.8Confident79 Ų7977 Ų7734%0.34338%0.382SS..EExtended strand (participates in β ladder)trans-106.9152.9166.9-64.4176.2-175.3174.10109.2Y589 N595 E612Y589-K597 HydrophobicContact CD1-CB 4.16Å; Y589-K597 WeakPolarHBondContact CD1-O 3.26Å; Y589-K597 HydrophobicContact CD2-CB 4.34Å; Y589-K597 HydrophobicContact CE1-CB 3.56Å; Y589-K597 HydrophobicContact CE2-CB 3.78Å; Y589-K597 HydrophobicContact CE2-CD 3.75Å; Y589-K597 HydrophobicContact CE2-CG 4.31Å; Y589-K597 PolarHBondContact N-O 2.91Å; Y589-K597 PolarHBondContact O-N 2.87Å; Y589-K597 WeakPolarHBondContact OH-CD 3.32Å; N595-K597 PolarHBondContact O-N 3.16Å; K597-E612 PolarHBondContact NZ-O 3.22Å
598V93.4Very high89.7Confident69 Ų6977.5 Ų77.542%0.41839%0.385SS..EExtended strand (participates in β ladder)trans-133.7135.1-179-169.10000110.1Q586 I587 F588 T596Q586-V598 HydrophobicContact CB-CG1 4.36Å; I587-V598 WeakPolarHBondContact O-CA 3.41Å; F588-V598 HydrophobicContact CD1-CB 4.45Å; F588-V598 HydrophobicContact CD1-CG1 4.16Å; F588-V598 HydrophobicContact CD1-CG2 3.49Å; F588-V598 VanDerWaalsContact CD1-CG2 3.49Å; F588-V598 HydrophobicContact CD2-CG1 4.3Å; F588-V598 HydrophobicContact CE1-CB 4.47Å; F588-V598 HydrophobicContact CE1-CG1 3.98Å; F588-V598 HydrophobicContact CE1-CG2 3.57Å; F588-V598 HydrophobicContact CE2-CG1 4.11Å; F588-V598 HydrophobicContact CG-CG1 4.3Å; F588-V598 HydrophobicContact CG-CG2 4.24Å; F588-V598 HydrophobicContact CZ-CG1 3.95Å; F588-V598 HydrophobicContact CZ-CG2 4.37Å; T596-V598 HydrophobicContact CG2-CG2 4.39Å
599V94.4Very high89.6Confident45 Ų4578 Ų7827%0.27339%0.392SS..EExtended strand (participates in β ladder)trans-129.6121.4173.9179.20000110.3I587 Y589 V608 L610I587-V599 PolarHBondContact N-O 3.26Å; I587-V599 PolarHBondContact O-N 3.17Å; Y589-V599 HydrophobicContact CE1-CG2 4.05Å; V599-V608 HydrophobicContact CB-CG2 4.22Å; V599-V608 HydrophobicContact CG1-CG2 3.45Å; V599-V608 VanDerWaalsContact CG1-CG2 3.45Å; V599-L610 HydrophobicContact CG2-CD2 4.4Å
600T93.4Very high89.5Confident84 Ų8477.5 Ų77.552%0.51539%0.39SS..EExtended strand (participates in β ladder)trans-77.7130.7169.1-52.60000109.6Y585 Q586Y585-T600 WeakPolarHBondContact O-CA 3.47Å; Q586-T600 HydrophobicContact CG-CG2 4.31Å
601A91.6Very high89.3Confident8 Ų883 Ų837%0.06641%0.41CS..EExtended strand (participates in β ladder)trans-99.1154.7179.400000113.2W570 Y585 I587 L603 V608W570-A601 HydrophobicContact CH2-CB 3.48Å; W570-A601 VanDerWaalsContact CH2-CB 3.48Å; W570-A601 HydrophobicContact CZ2-CB 3.85Å; Y585-A601 PolarHBondContact O-N 3.44Å; I587-A601 HydrophobicContact CD1-CB 3.99Å; A601-L603 PolarHBondContact O-N 2.9Å; A601-V608 HydrophobicContact CB-CB 4.16Å; A601-V608 HydrophobicContact CB-CG2 4.36Å
602E89.7Confident89.1Confident115 Ų11589.9 Ų89.954%0.53744%0.442SS..PPolyproline II helixtrans-72.7122.5174.5-59.6-176.8-109.700110.7E604 K605 R606E602-E604 VanDerWaalsContact C-N 3.29Å; E602-E604 PolarHBondContact O-N 2.86Å; E602-K605 HydrophobicContact CB-CB 4.32Å; E602-K605 HydrophobicContact CB-CD 4.23Å; E602-K605 HydrophobicContact CB-CG 4.41Å; E602-K605 PolarHBondContact O-N 2.87Å; E602-K605 VanDerWaalsContact O-N 3.17Å; E602-K605 WeakPolarHBondContact OE1-CD 3.35Å; E602-K605 IonicContact OE1-NZ 2.67Å; E602-K605 PolarHBondContact OE1-NZ 2.86Å; E602-K605 VanDerWaalsContact OE2-CE 3.31Å; E602-K605 WeakPolarHBondContact OE2-CE 3.09Å; E602-K605 IonicContact OE2-NZ 3.41Å; E602-K605 PolarHBondContact OE2-NZ 2.87Å; E602-R606 PolarHBondContact O-N 2.79Å
603L84.8Confident89.1Confident75 Ų7582.9 Ų82.939%0.39341%0.41SS..THydrogen-bonded Turntrans-58.5-37.7-170.6-70.582.9000113.4V582 A601V582-L603 HydrophobicContact CG1-CD2 4.28Å; V582-L603 VanDerWaalsContact O-CD2 3.25Å; V582-L603 WeakPolarHBondContact O-CD2 3.43Å; A601-L603 PolarHBondContact O-N 2.9Å
604E84.9Confident89.1Confident178 Ų17880.3 Ų80.383%0.83240%0.401SS*.THydrogen-bonded Turntrans-71.6-35.9-178.6-61.7-175.8169.400112.8E602E602-E604 VanDerWaalsContact C-N 3.29Å; E602-E604 PolarHBondContact O-N 2.86Å
605K83.8Confident89Confident100 Ų10085.5 Ų85.544%0.43541%0.407SS..THydrogen-bonded Turntrans-84.9-18.2-169.7-66.8176.1-176.2155.70113.7E602 R607E602-K605 HydrophobicContact CB-CB 4.32Å; E602-K605 HydrophobicContact CB-CD 4.23Å; E602-K605 HydrophobicContact CB-CG 4.41Å; E602-K605 PolarHBondContact O-N 2.87Å; E602-K605 VanDerWaalsContact O-N 3.17Å; E602-K605 WeakPolarHBondContact OE1-CD 3.35Å; E602-K605 IonicContact OE1-NZ 2.67Å; E602-K605 PolarHBondContact OE1-NZ 2.86Å; E602-K605 VanDerWaalsContact OE2-CE 3.31Å; E602-K605 WeakPolarHBondContact OE2-CE 3.09Å; E602-K605 IonicContact OE2-NZ 3.41Å; E602-K605 PolarHBondContact OE2-NZ 2.87Å; K605-R607 HydrophobicContact CB-CG 4.3Å; K605-R607 WeakPolarHBondContact O-CG 3.3Å; K605-R607 PolarHBondContact O-N 2.78Å
606R88.9Confident88.6Confident88 Ų8884.8 Ų84.833%0.33241%0.409SS..  trans5028.7173.4-54.7176.1-168-175.4-3.8114.7T569 W570 E572 E602T569-R606 WeakPolarHBondContact CA-O 3.42Å; T569-R606 PolarHBondContact OG1-O 2.9Å; W570-R606 PolarHBondContact N-O 2.78Å; E572-R606 IonicContact OE1-NH2 3.18Å; E572-R606 IonicContact OE2-CZ 3.71Å; E572-R606 IonicContact OE2-NH1 3.32Å; E572-R606 PolarHBondContact OE2-NH1 2.87Å; E572-R606 IonicContact OE2-NH2 2.84Å; E572-R606 PolarHBondContact OE2-NH2 2.81Å; E602-R606 PolarHBondContact O-N 2.79Å
607R91.3Very high88.4Confident127 Ų12782.6 Ų82.648%0.47940%0.398SS..EExtended strand (participates in β ladder)trans-147.6153.1-178.474.3-162.8-173.6-153.71.2110E567 L568 K605E567-R607 WeakPolarHBondContact OE1-CD 3.3Å; L568-R607 CarbonylContact O-C 3.51Å; L568-R607 WeakPolarHBondContact O-CA 3.02Å; L568-R607 WeakPolarHBondContact O-CB 3.4Å; K605-R607 HydrophobicContact CB-CG 4.3Å; K605-R607 WeakPolarHBondContact O-CG 3.3Å; K605-R607 PolarHBondContact O-N 2.78Å
608V93.7Very high88.2Confident11 Ų1179.9 Ų79.97%0.06739%0.389CS..EExtended strand (participates in β ladder)trans-141.1148.8175.473.90000109.8E567 L568 W570 I587 V599 A601 L610E567-V608 WeakPolarHBondContact CA-O 3.28Å; L568-V608 HydrophobicContact CB-CG1 4.04Å; L568-V608 HydrophobicContact CD1-CG1 4.35Å; L568-V608 PolarHBondContact N-O 2.89Å; L568-V608 PolarHBondContact O-N 3.03Å; W570-V608 HydrophobicContact CH2-CB 4.3Å; W570-V608 HydrophobicContact CZ3-CB 4.32Å; W570-V608 HydrophobicContact CZ3-CG1 4.11Å; I587-V608 HydrophobicContact CB-CG1 4.42Å; I587-V608 HydrophobicContact CD1-CB 4.24Å; I587-V608 HydrophobicContact CD1-CG1 3.79Å; I587-V608 HydrophobicContact CG1-CG1 3.85Å; V599-V608 HydrophobicContact CB-CG2 4.22Å; V599-V608 HydrophobicContact CG1-CG2 3.45Å; V599-V608 VanDerWaalsContact CG1-CG2 3.45Å; A601-V608 HydrophobicContact CB-CB 4.16Å; A601-V608 HydrophobicContact CB-CG2 4.36Å; V608-L610 HydrophobicContact CG1-CD2 4.31Å
609V92.2Very high88.1Confident51 Ų5176.8 Ų76.831%0.30937%0.369SS..EExtended strand (participates in β ladder)trans-112.4110.3173-179.20000108.1R565 I566 E567 R611R565-V609 HydrophobicContact CB-CG1 4.25Å; I566-V609 WeakPolarHBondContact O-CA 3.45Å; E567-V609 HydrophobicContact CB-CG2 4.26Å; E567-V609 HydrophobicContact CG-CG2 4.01Å; V609-R611 HydrophobicContact CG1-CG 4.11Å
610L91.9Very high88Confident1 Ų178.6 Ų78.61%0.00537%0.374CS..EExtended strand (participates in β ladder)trans-70.7139.7167.4-53.5-170.6000108.5R565 I566 L568 I587 Y589 V599 V608 L613 L639R565-L610 WeakPolarHBondContact CA-O 3.44Å; R565-L610 WeakPolarHBondContact CB-O 3.34Å; I566-L610 PolarHBondContact N-O 2.92Å; I566-L610 VanDerWaalsContact N-O 3.1Å; I566-L610 PolarHBondContact O-N 2.89Å; L568-L610 HydrophobicContact CD1-CD1 3.8Å; L568-L610 HydrophobicContact CD1-CG 4.02Å; I587-L610 HydrophobicContact CG2-CD2 4.35Å; Y589-L610 HydrophobicContact CD1-CD1 4.05Å; Y589-L610 HydrophobicContact CD1-CD2 3.88Å; Y589-L610 HydrophobicContact CD2-CD1 4.06Å; Y589-L610 HydrophobicContact CE1-CD1 4.38Å; Y589-L610 HydrophobicContact CE1-CD2 3.69Å; Y589-L610 HydrophobicContact CE2-CD1 4.37Å; Y589-L610 HydrophobicContact CG-CD1 3.88Å; V599-L610 HydrophobicContact CG2-CD2 4.4Å; V608-L610 HydrophobicContact CG1-CD2 4.31Å; L610-L613 HydrophobicContact CB-CD1 4.06Å; L610-L613 HydrophobicContact CB-CD2 4.43Å; L610-L613 HydrophobicContact CB-CG 4.46Å; L610-L639 HydrophobicContact CD1-CD1 4.02Å
611R89Confident88.1Confident169 Ų16974.6 Ų74.664%0.63835%0.349SS*.EExtended strand (participates in β ladder)trans-136163.2-174.6-63.2-178.9179.8-128.6-0.9109.4V609 L613V609-R611 HydrophobicContact CG1-CG 4.11Å; R611-L613 PolarHBondContact O-N 2.91Å
612E85.6Confident88.2Confident163 Ų16375.8 Ų75.876%0.76235%0.353SS*.SBendtrans55.347.8177.5-64.3162-146.100110.5S564 K597S564-E612 PolarHBondContact O-N 2.64Å; K597-E612 PolarHBondContact NZ-O 3.22Å
613L86.6Confident88.5Confident8 Ų870.3 Ų70.34%0.04233%0.327CS..PPolyproline II helixtrans-92.6141.5170.1-58.1175.9000109.2I566 Y589 L610 R611 Y619 T641I566-L613 HydrophobicContact CB-CD1 4.08Å; I566-L613 HydrophobicContact CD1-CD1 3.82Å; I566-L613 HydrophobicContact CG1-CD1 3.65Å; Y589-L613 HydrophobicContact CD2-CD2 4.03Å; Y589-L613 HydrophobicContact CE2-CD2 3.5Å; Y589-L613 VanDerWaalsContact CE2-CD2 3.5Å; L610-L613 HydrophobicContact CB-CD1 4.06Å; L610-L613 HydrophobicContact CB-CD2 4.43Å; L610-L613 HydrophobicContact CB-CG 4.46Å; R611-L613 PolarHBondContact O-N 2.91Å; L613-Y619 HydrophobicContact CB-CE2 3.94Å; L613-Y619 HydrophobicContact CD2-CD1 4.32Å; L613-Y619 HydrophobicContact CD2-CD2 4.27Å; L613-Y619 HydrophobicContact CD2-CE1 4.04Å; L613-Y619 HydrophobicContact CD2-CE2 3.96Å; L613-Y619 HydrophobicContact CD2-CG 4.45Å; L613-Y619 HydrophobicContact CG-CE2 4.43Å; L613-T641 HydrophobicContact CB-CG2 3.8Å; L613-T641 HydrophobicContact CD1-CG2 3.96Å
614D83.9Confident88.9Confident89 Ų8968.3 Ų68.348%0.47632%0.316SS..PPolyproline II helixtrans-71.6151.8174.4-60.1-72.9000110.7Y619 T641D614-Y619 WeakPolarHBondContact CB-OH 3.2Å; D614-Y619 PolarHBondContact N-OH 2.93Å; D614-Y619 PolarHBondContact OD2-OH 2.86Å; D614-T641 WeakPolarHBondContact O-CB 3.27Å; D614-T641 WeakPolarHBondContact O-CG2 3.25Å; D614-T641 PolarHBondContact O-OG1 2.82Å
615R79.1Confident89.4Confident152 Ų15259.8 Ų59.857%0.57428%0.277SS*.THydrogen-bonded Turntrans-81.1150.4-170.9-56.9179.8-172.9165.13.7110.8S617 M644R615-S617 PolarHBondContact O-N 3.22Å; R615-S617 PolarHBondContact O-OG 2.89Å; R615-M644 PolarHBondContact NH1-SD 2.86Å
616S80.7Confident89.9Confident83 Ų8356 Ų5658%0.5826%0.263SS*.THydrogen-bonded Turntrans50.726.6178.8-48.60000114.8T641 P643S616-T641 WeakPolarHBondContact CA-O 3.4Å; S616-T641 PolarHBondContact N-OG1 2.95Å; S616-T641 VanDerWaalsContact N-OG1 3.1Å; S616-P643 WeakPolarHBondContact OG-CA 3.46Å
617S85.3Confident90.1Very high40 Ų4052 Ų5228%0.2825%0.248SC..  trans-113.8143.8-165.4-65.90000110.7R615 K640 T641R615-S617 PolarHBondContact O-N 3.22Å; R615-S617 PolarHBondContact O-OG 2.89Å; S617-K640 WeakPolarHBondContact O-CA 3.37Å; S617-T641 PolarHBondContact N-OG1 2.94Å; S617-T641 PolarHBondContact O-N 2.87Å; S617-T641 VanDerWaalsContact O-N 3.1Å; S617-T641 PolarHBondContact O-OG1 2.79Å
618S88.9Confident90Very high21 Ų2148.2 Ų48.215%0.14725%0.248CC..EExtended strand (participates in β ladder)trans-92.6127.8178.2-157.50000110.3E592 T638 K640E592-S618 VanDerWaalsContact OE1-CB 3.29Å; E592-S618 WeakPolarHBondContact OE1-CB 3.34Å; S618-T638 WeakPolarHBondContact OG-CG2 3.25Å; S618-K640 WeakPolarHBondContact OG-CE 3.21Å
619Y91Very high89.7Confident4 Ų449.3 Ų49.32%0.01626%0.261CS..EExtended strand (participates in β ladder)trans-115.5144.6174.1-70.3-88.1000109.7Y589 W590 D591 L613 D614 L639 T641Y589-Y619 HydrophobicContact CD2-CD1 4.15Å; W590-Y619 CarbonylContact O-C 3.53Å; W590-Y619 VanDerWaalsContact O-CA 3.27Å; W590-Y619 WeakPolarHBondContact O-CA 3.37Å; W590-Y619 WeakPolarHBondContact O-CD1 3.19Å; D591-Y619 HydrophobicContact CB-CD1 4.07Å; D591-Y619 HydrophobicContact CB-CE1 3.7Å; L613-Y619 HydrophobicContact CB-CE2 3.94Å; L613-Y619 HydrophobicContact CD2-CD1 4.32Å; L613-Y619 HydrophobicContact CD2-CD2 4.27Å; L613-Y619 HydrophobicContact CD2-CE1 4.04Å; L613-Y619 HydrophobicContact CD2-CE2 3.96Å; L613-Y619 HydrophobicContact CD2-CG 4.45Å; L613-Y619 HydrophobicContact CG-CE2 4.43Å; D614-Y619 WeakPolarHBondContact CB-OH 3.2Å; D614-Y619 PolarHBondContact N-OH 2.93Å; D614-Y619 PolarHBondContact OD2-OH 2.86Å; Y619-L639 PolarHBondContact N-O 3.45Å; Y619-L639 PolarHBondContact O-N 3.37Å; Y619-L639 VanDerWaalsContact O-O 3.11Å; Y619-T641 HydrophobicContact CE2-CG2 4.34Å
620K92.7Very high89.8Confident83 Ų8348.6 Ų48.636%0.36126%0.264SS..EExtended strand (participates in β ladder)trans-103.3142.6166.2-73.8162.7157.3-80.80108.2Y589 W590 E636Y589-K620 CarbonylContact C-O 3.52Å; Y589-K620 WeakPolarHBondContact CA-O 3.39Å; Y589-K620 WeakPolarHBondContact CB-O 3.49Å; W590-K620 HydrophobicContact CD2-CB 3.97Å; W590-K620 VanDerWaalsContact CE2-CB 3.45Å; W590-K620 HydrophobicContact CE3-CB 4.47Å; W590-K620 HydrophobicContact CH2-CB 4.04Å; W590-K620 HydrophobicContact CZ2-CB 3.51Å; W590-K620 HydrophobicContact CZ2-CD 4.02Å; W590-K620 HydrophobicContact CZ2-CG 4.38Å; W590-K620 HydrophobicContact CZ3-CB 4.49Å; W590-K620 PolarHBondContact N-O 2.87Å; W590-K620 PolarHBondContact O-N 3.35Å; K620-E636 HydrophobicContact CB-CG 4.21Å; K620-E636 WeakPolarHBondContact CG-OE1 3.31Å; K620-E636 IonicContact NZ-OE1 3.5Å; K620-E636 PolarHBondContact NZ-OE1 2.99Å; K620-E636 IonicContact NZ-OE2 3.56Å; K620-E636 PolarHBondContact NZ-OE2 3.11Å
621A94Very high89.9Confident0 Ų051.3 Ų51.30%028%0.284CS..EExtended strand (participates in β ladder)trans-146.1150.6179.200000112.5F588 E636 V637 L639F588-A621 CarbonylContact O-C 3.46Å; F588-A621 WeakPolarHBondContact O-CA 3.48Å; A621-E636 CarbonylContact O-C 3.55Å; A621-E636 WeakPolarHBondContact O-CA 3.24Å; A621-V637 HydrophobicContact CB-CG2 4.26Å; A621-V637 PolarHBondContact N-O 3.47Å; A621-V637 PolarHBondContact O-N 3.25Å; A621-L639 HydrophobicContact CB-CD1 3.8Å; A621-L639 HydrophobicContact CB-CG 4.42Å
622F94.6Very high90.2Very high33 Ų3346 Ų4615%0.14527%0.268CS..EExtended strand (participates in β ladder)trans-140.7160.7164.367-94.9000110.8I587 F588 W590 M624 N633I587-F622 WeakPolarHBondContact CA-O 3.41Å; F588-F622 HydrophobicContact CB-CD1 4.3Å; F588-F622 HydrophobicContact CB-CD2 4.46Å; F588-F622 HydrophobicContact CB-CE1 3.83Å; F588-F622 HydrophobicContact CB-CE2 4.01Å; F588-F622 HydrophobicContact CB-CZ 3.66Å; F588-F622 HydrophobicContact CD1-CZ 4.38Å; F588-F622 HydrophobicContact CD2-CD2 4.44Å; F588-F622 AromaticContact CD2-CE2 3.7Å; F588-F622 HydrophobicContact CD2-CE2 3.7Å; F588-F622 AromaticContact CD2-CZ 3.98Å; F588-F622 HydrophobicContact CD2-CZ 3.98Å; F588-F622 HydrophobicContact CE2-CE2 4.46Å; F588-F622 HydrophobicContact CG-CE1 4.41Å; F588-F622 AromaticContact CG-CE2 3.96Å; F588-F622 HydrophobicContact CG-CE2 3.96Å; F588-F622 AromaticContact CG-CZ 3.75Å; F588-F622 HydrophobicContact CG-CZ 3.75Å; F588-F622 PolarHBondContact N-O 2.85Å; F588-F622 PolarHBondContact O-N 2.79Å; W590-F622 AromaticContact CH2-CD1 3.73Å; W590-F622 HydrophobicContact CH2-CD1 3.73Å; W590-F622 AromaticContact CH2-CE1 3.97Å; W590-F622 HydrophobicContact CH2-CE1 3.97Å; W590-F622 AromaticContact CZ3-CD1 3.56Å; W590-F622 HydrophobicContact CZ3-CD1 3.56Å; W590-F622 AromaticContact CZ3-CE1 3.66Å; W590-F622 HydrophobicContact CZ3-CE1 3.66Å; F622-M624 HydrophobicContact CE2-CB 4.34Å; F622-N633 HydrophobicContact CD2-CB 3.93Å; F622-N633 HydrophobicContact CE2-CB 3.93Å; F622-N633 VanDerWaalsContact CE2-CG 3.41Å
623I94.9Very high90.6Very high1 Ų142.2 Ų42.21%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-102.1123.1173.6-174.4162.3000110.1P554 L556 W570 Y585 I587 G634P554-I623 HydrophobicContact CG-CD1 4.16Å; P554-I623 HydrophobicContact CG-CG2 4.34Å; P554-I623 VanDerWaalsContact O-CG2 3.25Å; P554-I623 WeakPolarHBondContact O-CG2 3.15Å; L556-I623 HydrophobicContact CB-CG2 4.12Å; L556-I623 HydrophobicContact CD1-CB 4.39Å; L556-I623 HydrophobicContact CD1-CD1 4.42Å; L556-I623 HydrophobicContact CD2-CB 4.29Å; W570-I623 HydrophobicContact CD2-CD1 3.51Å; W570-I623 HydrophobicContact CE3-CD1 3.86Å; W570-I623 HydrophobicContact CG-CD1 3.91Å; W570-I623 HydrophobicContact CH2-CD1 4.34Å; W570-I623 HydrophobicContact CZ2-CD1 4Å; W570-I623 HydrophobicContact CZ3-CD1 4.27Å; Y585-I623 HydrophobicContact CD1-CD1 3.97Å; Y585-I623 HydrophobicContact CD1-CG1 4.39Å; Y585-I623 HydrophobicContact CG-CD1 4.34Å; I587-I623 HydrophobicContact CD1-CD1 4.18Å; I587-I623 HydrophobicContact CD1-CG1 4.36Å; I587-I623 HydrophobicContact CG1-CB 4.41Å; I587-I623 HydrophobicContact CG1-CD1 4.37Å; I587-I623 HydrophobicContact CG1-CG1 4.31Å; I623-G634 PolarHBondContact O-N 2.69Å
624M94.4Very high90.9Very high32 Ų3242.7 Ų42.716%0.15826%0.26CS..EExtended strand (participates in β ladder)trans-92.5132.4165.9-174.4-170.9-6900108.6Y585 Q586 F588 F622 L632 N633Y585-M624 WeakPolarHBondContact CA-O 3.32Å; Q586-M624 HydrophobicContact CB-CB 4.46Å; Q586-M624 PolarHBondContact N-O 2.82Å; Q586-M624 PolarHBondContact O-N 2.95Å; F588-M624 HydrophobicContact CD2-CB 4.12Å; F588-M624 HydrophobicContact CE2-CB 3.77Å; F588-M624 HydrophobicContact CE2-CE 3.66Å; F588-M624 HydrophobicContact CE2-SD 4.06Å; F588-M624 HydrophobicContact CZ-CE 3.8Å; F588-M624 HydrophobicContact CZ-SD 4.41Å; F622-M624 HydrophobicContact CE2-CB 4.34Å; M624-L632 WeakPolarHBondContact CA-O 3.49Å; M624-N633 WeakPolarHBondContact CE-OD1 3.47Å; M624-N633 WeakPolarHBondContact CG-OD1 3.33Å
625V95Very high91.3Very high0 Ų042.5 Ų42.50%027%0.265CS..EExtended strand (participates in β ladder)trans-111.5135.4169.854.10000109.8P550 A553 I573 V582 Y585 S631 L632P550-V625 HydrophobicContact CB-CG1 4.23Å; P550-V625 HydrophobicContact CG-CG1 3.86Å; P550-V625 HydrophobicContact CG-CG2 4.16Å; A553-V625 HydrophobicContact CB-CG1 3.98Å; I573-V625 HydrophobicContact CD1-CB 4.27Å; I573-V625 HydrophobicContact CD1-CG1 4Å; I573-V625 HydrophobicContact CD1-CG2 3.78Å; V582-V625 HydrophobicContact CG1-CG2 3.81Å; V582-V625 HydrophobicContact CG2-CG2 4.14Å; Y585-V625 HydrophobicContact CD1-CB 3.95Å; Y585-V625 HydrophobicContact CD1-CG2 3.94Å; Y585-V625 HydrophobicContact CE1-CB 3.99Å; Y585-V625 HydrophobicContact CE1-CG2 3.63Å; V625-S631 CarbonylContact O-C 3.54Å; V625-S631 WeakPolarHBondContact O-CA 3.33Å; V625-S631 VanDerWaalsContact O-CB 3.32Å; V625-S631 WeakPolarHBondContact O-CB 3.35Å; V625-L632 HydrophobicContact CG1-CB 4.47Å; V625-L632 PolarHBondContact N-O 3.12Å; V625-L632 PolarHBondContact O-N 2.92Å
626S93.8Very high92Very high20 Ų2039.7 Ų39.714%0.1426%0.259CS..EExtended strand (participates in β ladder)trans-119.9138.4-179-580000111.6Q583 S584 S631Q583-S626 PolarHBondContact N-O 3.29Å; S584-S626 PolarHBondContact N-O 2.74Å; S584-S626 PolarHBondContact O-N 3.22Å; S584-S626 WeakPolarHBondContact OG-CB 3.42Å; S626-S631 WeakPolarHBondContact OG-CB 3.37Å
627T93.9Very high92.5Very high5 Ų537.5 Ų37.53%0.03124%0.242CC..EExtended strand (participates in β ladder)trans-118.5174.6166.767.70000109.8K548 P550 I581 G629 G630K548-T627 PolarHBondContact O-OG1 3.45Å; P550-T627 HydrophobicContact CG-CG2 3.74Å; I581-T627 VanDerWaalsContact O-CA 3.3Å; I581-T627 WeakPolarHBondContact O-CA 3.43Å; I581-T627 WeakPolarHBondContact O-CB 3.48Å; T627-G629 PolarHBondContact O-N 3.09Å; T627-G629 PolarHBondContact OG1-N 3.45Å; T627-G630 PolarHBondContact N-O 3.38Å; T627-G630 PolarHBondContact O-N 3.15Å; T627-G630 VanDerWaalsContact O-N 3.17Å; T627-G630 PolarHBondContact OG1-O 3.17Å
628G89Confident92.8Very high46 Ų4639.5 Ų39.547%0.47425%0.253SS..THydrogen-bonded Turntrans-63.5-0.2172.800000115.2
629G87.3Confident92.9Very high34 Ų3438.7 Ų38.735%0.35125%0.246SC..THydrogen-bonded Turntrans-120.616.2175.900000114.8K548 A549 T627K548-G629 CarbonylContact C-O 3.59Å; K548-G629 WeakPolarHBondContact CA-O 3.42Å; A549-G629 VanDerWaalsContact N-C 3.35Å; A549-G629 PolarHBondContact N-O 2.74Å; T627-G629 PolarHBondContact O-N 3.09Å; T627-G629 PolarHBondContact OG1-N 3.45Å
630G93.4Very high92.7Very high36 Ų3644.9 Ų44.937%0.37127%0.273SS..EExtended strand (participates in β ladder)trans122.7-176.3177.100000113.9T627T627-G630 PolarHBondContact N-O 3.38Å; T627-G630 PolarHBondContact O-N 3.15Å; T627-G630 VanDerWaalsContact O-N 3.17Å; T627-G630 PolarHBondContact OG1-O 3.17Å
631S94.9Very high92.4Very high58 Ų5841.3 Ų41.341%0.40626%0.258SS..EExtended strand (participates in β ladder)trans-125.1160.9-176.9620000113.6A549 V625 S626A549-S631 WeakPolarHBondContact CB-O 3.32Å; V625-S631 CarbonylContact O-C 3.54Å; V625-S631 WeakPolarHBondContact O-CA 3.33Å; V625-S631 VanDerWaalsContact O-CB 3.32Å; V625-S631 WeakPolarHBondContact O-CB 3.35Å; S626-S631 WeakPolarHBondContact OG-CB 3.37Å
632L95.3Very high91.6Very high58 Ų5845.4 Ų45.430%0.30428%0.277SS..EExtended strand (participates in β ladder)trans-135.5137.4173.8179.665.7000110P550 A553 M624 V625P550-L632 VanDerWaalsContact O-CD2 3.32Å; P550-L632 WeakPolarHBondContact O-CD2 3.4Å; A553-L632 HydrophobicContact CB-CD2 4.33Å; A553-L632 HydrophobicContact CB-CG 4.41Å; M624-L632 WeakPolarHBondContact CA-O 3.49Å; V625-L632 HydrophobicContact CG1-CB 4.47Å; V625-L632 PolarHBondContact N-O 3.12Å; V625-L632 PolarHBondContact O-N 2.92Å
633N94.8Very high90.4Very high83 Ų8348.1 Ų48.144%0.44430%0.298SS..EExtended strand (participates in β ladder)trans-87.5135.6171.8-64.7-6.9000110.4F622 M624F622-N633 HydrophobicContact CD2-CB 3.93Å; F622-N633 HydrophobicContact CE2-CB 3.93Å; F622-N633 VanDerWaalsContact CE2-CG 3.41Å; M624-N633 WeakPolarHBondContact CE-OD1 3.47Å; M624-N633 WeakPolarHBondContact CG-OD1 3.33Å
634G92.2Very high88.7Confident19 Ų1951.4 Ų51.420%0.19632%0.315CS..  trans-84-178.6168.400000113.6A553 I623A553-G634 VanDerWaalsContact CB-CA 3.43Å; I623-G634 PolarHBondContact O-N 2.69Å
635S92.4Very high87.4Confident85 Ų8553.6 Ų53.659%0.59433%0.327SS*.  trans-59143.9178.6-53.60000112.5
636E92.6Very high86Confident93 Ų9359.4 Ų59.444%0.43536%0.358SS..  trans-73.9131.2170.9-162.4-155.688.300110.1W590 K620 A621W590-E636 HydrophobicContact CH2-CG 4.04Å; W590-E636 HydrophobicContact CZ2-CG 4.32Å; W590-E636 WeakPolarHBondContact CZ2-OE2 3.4Å; K620-E636 HydrophobicContact CB-CG 4.21Å; K620-E636 WeakPolarHBondContact CG-OE1 3.31Å; K620-E636 IonicContact NZ-OE1 3.5Å; K620-E636 PolarHBondContact NZ-OE1 2.99Å; K620-E636 IonicContact NZ-OE2 3.56Å; K620-E636 PolarHBondContact NZ-OE2 3.11Å; A621-E636 CarbonylContact O-C 3.55Å; A621-E636 WeakPolarHBondContact O-CA 3.24Å
637V92.2Very high84.6Confident36 Ų3663.4 Ų63.422%0.21838%0.377CS..EExtended strand (participates in β ladder)trans-115.7141.2172.1-60.90000110.1L556 A621 L639L556-V637 HydrophobicContact CB-CG2 4.46Å; L556-V637 HydrophobicContact CD2-CG2 3.93Å; L556-V637 HydrophobicContact CG-CG2 4.31Å; A621-V637 HydrophobicContact CB-CG2 4.26Å; A621-V637 PolarHBondContact N-O 3.47Å; A621-V637 PolarHBondContact O-N 3.25Å; V637-L639 HydrophobicContact CG2-CD2 4.04Å; V637-L639 HydrophobicContact CG2-CG 4.37Å
638T91.9Very high83.2Confident83 Ų8364.4 Ų64.451%0.50939%0.386SS..EExtended strand (participates in β ladder)trans-92.9126.3173.1-57.50000109.6S618S618-T638 WeakPolarHBondContact OG-CG2 3.25Å
639L90Very high82.3Confident3 Ų366.3 Ų66.32%0.01639%0.385CS..EExtended strand (participates in β ladder)trans-113.9140.8179.1-52.7178000108.1V558 I566 L568 L610 Y619 A621 V637V558-L639 HydrophobicContact CG2-CD2 3.47Å; V558-L639 VanDerWaalsContact CG2-CD2 3.47Å; I566-L639 HydrophobicContact CD1-CB 3.88Å; L568-L639 HydrophobicContact CD1-CD1 4.02Å; L568-L639 HydrophobicContact CD2-CD1 4.08Å; L568-L639 HydrophobicContact CD2-CD2 3.85Å; L610-L639 HydrophobicContact CD1-CD1 4.02Å; Y619-L639 PolarHBondContact N-O 3.45Å; Y619-L639 PolarHBondContact O-N 3.37Å; Y619-L639 VanDerWaalsContact O-O 3.11Å; A621-L639 HydrophobicContact CB-CD1 3.8Å; A621-L639 HydrophobicContact CB-CG 4.42Å; V637-L639 HydrophobicContact CG2-CD2 4.04Å; V637-L639 HydrophobicContact CG2-CG 4.37Å
640K87.3Confident81.7Confident135 Ų13569 Ų6959%0.58739%0.39SS*.EExtended strand (participates in β ladder)trans-131.1130.6176.5-65.5-171.4175.3-170.80109.3I561 S617 S618I561-K640 WeakPolarHBondContact CG2-O 3.46Å; S617-K640 WeakPolarHBondContact O-CA 3.37Å; S618-K640 WeakPolarHBondContact OG-CE 3.21Å
641T85.6Confident80.8Confident7 Ų772.3 Ų72.34%0.04340%0.399CS..PPolyproline II helixtrans-79.7145.4174.550.70000110.8I566 L613 D614 S616 S617 Y619I566-T641 HydrophobicContact CD1-CG2 4.11Å; I566-T641 HydrophobicContact CG1-CG2 4.49Å; L613-T641 HydrophobicContact CB-CG2 3.8Å; L613-T641 HydrophobicContact CD1-CG2 3.96Å; D614-T641 WeakPolarHBondContact O-CB 3.27Å; D614-T641 WeakPolarHBondContact O-CG2 3.25Å; D614-T641 PolarHBondContact O-OG1 2.82Å; S616-T641 WeakPolarHBondContact CA-O 3.4Å; S616-T641 PolarHBondContact N-OG1 2.95Å; S616-T641 VanDerWaalsContact N-OG1 3.1Å; S617-T641 PolarHBondContact N-OG1 2.94Å; S617-T641 PolarHBondContact O-N 2.87Å; S617-T641 VanDerWaalsContact O-N 3.1Å; S617-T641 PolarHBondContact O-OG1 2.79Å; Y619-T641 HydrophobicContact CE2-CG2 4.34Å
642E78.6Confident80Confident86 Ų8675 Ų7540%0.40241%0.408SS..PPolyproline II helixtrans-68.6149.2179.8-73.1173.2154.700112.1I561I561-E642 HydrophobicContact CG2-CG 3.96Å
643P69.1Low79.3Confident90 Ų9076.7 Ų76.758%0.58442%0.42SS*.PPolyproline II helixtrans-65.5157.2166.831.9-35.6000110.6H563 S616 D645H563-P643 PolarHBondContact CD2-O 3.31Å; H563-P643 PolarHBondContact NE2-O 3.48Å; H563-P643 VanDerWaalsContact NE2-O 3.15Å; S616-P643 WeakPolarHBondContact OG-CA 3.46Å; P643-D645 PolarHBondContact O-N 2.89Å
644M59Low78.8Confident71 Ų7177.4 Ų77.435%0.3542%0.423SS..PPolyproline II helixtrans-52.1125.3179.4-80.1-71.4-59.500111.9R615 D646 A648 I649R615-M644 PolarHBondContact NH1-SD 2.86Å; M644-D646 PolarHBondContact O-N 3.44Å; M644-A648 HydrophobicContact CE-CB 4.09Å; M644-I649 HydrophobicContact CB-CD1 4.44Å; M644-I649 HydrophobicContact CB-CG1 4.48Å
645D66.4Low78.3Confident77 Ų7780.6 Ų80.641%0.41244%0.442SS..  trans-29.3117.2171.5-171.4-13.7000112.2H563 P643 L647 A648 I649H563-D645 PolarHBondContact NE2-N 3.43Å; P643-D645 PolarHBondContact O-N 2.89Å; D645-L647 PolarHBondContact O-N 2.84Å; D645-L647 VanDerWaalsContact O-N 3.09Å; D645-L647 WeakPolarHBondContact OD1-CB 3.5Å; D645-L647 PolarHBondContact OD1-N 3.3Å; D645-A648 HydrophobicContact CB-CB 4.21Å; D645-A648 WeakPolarHBondContact O-CA 3.31Å; D645-A648 WeakPolarHBondContact O-CB 3.25Å; D645-A648 PolarHBondContact O-N 2.89Å; D645-I649 PolarHBondContact O-N 2.88Å
646D66.1Low77.9Confident123 Ų12379.7 Ų79.766%0.65844%0.435SS*.Hα-helixtrans-53.6-33179-73.5-48.3000111M644 A648 I649 I650M644-D646 PolarHBondContact O-N 3.44Å; D646-A648 VanDerWaalsContact C-N 3.32Å; D646-A648 PolarHBondContact O-N 2.77Å; D646-I649 PolarHBondContact O-N 3.02Å; D646-I650 VanDerWaalsContact O-CB 3.32Å; D646-I650 WeakPolarHBondContact O-CB 3.49Å; D646-I650 WeakPolarHBondContact O-CD1 3.38Å; D646-I650 WeakPolarHBondContact O-CG1 3.31Å; D646-I650 PolarHBondContact O-N 2.92Å
647L63.8Low77.6Confident103 Ų10376.7 Ų76.754%0.53943%0.429SS..Hα-helixtrans-63.4-36.3175.8-17165.4000112.1D645 L651D645-L647 PolarHBondContact O-N 2.84Å; D645-L647 VanDerWaalsContact O-N 3.09Å; D645-L647 WeakPolarHBondContact OD1-CB 3.5Å; D645-L647 PolarHBondContact OD1-N 3.3Å; L647-L651 HydrophobicContact CG-CD1 4.26Å; L647-L651 VanDerWaalsContact O-CB 3.32Å; L647-L651 WeakPolarHBondContact O-CB 3.38Å; L647-L651 WeakPolarHBondContact O-CD1 3.37Å; L647-L651 WeakPolarHBondContact O-CG 3.17Å; L647-L651 PolarHBondContact O-N 2.9Å
648A66.4Low77.4Confident27 Ų2778.7 Ų78.722%0.22344%0.442CS..Hα-helixtrans-71.1-37.2176.400000111.9M644 D645 D646 L651 I652M644-A648 HydrophobicContact CE-CB 4.09Å; D645-A648 HydrophobicContact CB-CB 4.21Å; D645-A648 WeakPolarHBondContact O-CA 3.31Å; D645-A648 WeakPolarHBondContact O-CB 3.25Å; D645-A648 PolarHBondContact O-N 2.89Å; D646-A648 VanDerWaalsContact C-N 3.32Å; D646-A648 PolarHBondContact O-N 2.77Å; A648-L651 PolarHBondContact O-N 2.68Å; A648-I652 WeakPolarHBondContact O-CG1 3.31Å; A648-I652 PolarHBondContact O-N 2.83Å; A648-I652 VanDerWaalsContact O-N 3.14Å
649I68.6Low77.1Confident86 Ų8676.2 Ų76.244%0.44143%0.432SS..Hα-helixtrans-65.4-47.5173.3-59.5176.7000109.6M644 D645 D646 L651 I652 V653M644-I649 HydrophobicContact CB-CD1 4.44Å; M644-I649 HydrophobicContact CB-CG1 4.48Å; D645-I649 PolarHBondContact O-N 2.88Å; D646-I649 PolarHBondContact O-N 3.02Å; I649-L651 VanDerWaalsContact C-N 3.33Å; I649-L651 PolarHBondContact O-N 3.16Å; I649-I652 PolarHBondContact O-N 2.85Å; I649-I652 VanDerWaalsContact O-N 3.16Å; I649-V653 WeakPolarHBondContact O-CG2 3.35Å; I649-V653 PolarHBondContact O-N 3.35Å
650I74.2Confident76.9Confident91 Ų9181.2 Ų81.247%0.46746%0.459SS..Hα-helixtrans-58.5-42.6175.7-72164.1000111.1D646 I652 V653 I654D646-I650 VanDerWaalsContact O-CB 3.32Å; D646-I650 WeakPolarHBondContact O-CB 3.49Å; D646-I650 WeakPolarHBondContact O-CD1 3.38Å; D646-I650 WeakPolarHBondContact O-CG1 3.31Å; D646-I650 PolarHBondContact O-N 2.92Å; I650-I652 VanDerWaalsContact C-N 3.35Å; I650-I652 PolarHBondContact O-N 2.99Å; I650-V653 PolarHBondContact O-N 2.96Å; I650-I654 HydrophobicContact CG2-CD1 3.59Å; I650-I654 HydrophobicContact CG2-CG1 4.25Å; I650-I654 WeakPolarHBondContact O-CB 3.38Å; I650-I654 VanDerWaalsContact O-CG1 3.3Å; I650-I654 WeakPolarHBondContact O-CG1 3.41Å; I650-I654 PolarHBondContact O-N 3.14Å
651L76.3Confident76.8Confident104 Ų10477.8 Ų77.855%0.54545%0.452SS..Hα-helixtrans-62.9-37176.6-79.7165.1000112.8L647 A648 I649 S655L647-L651 HydrophobicContact CG-CD1 4.26Å; L647-L651 VanDerWaalsContact O-CB 3.32Å; L647-L651 WeakPolarHBondContact O-CB 3.38Å; L647-L651 WeakPolarHBondContact O-CD1 3.37Å; L647-L651 WeakPolarHBondContact O-CG 3.17Å; L647-L651 PolarHBondContact O-N 2.9Å; A648-L651 PolarHBondContact O-N 2.68Å; I649-L651 VanDerWaalsContact C-N 3.33Å; I649-L651 PolarHBondContact O-N 3.16Å; L651-S655 WeakPolarHBondContact O-CB 3.41Å; L651-S655 PolarHBondContact O-N 3.31Å
652I77.1Confident76.8Confident116 Ų11681.9 Ų81.960%0.59547%0.473SS*.Hα-helixtrans-68.5-40.5174.5-67.8165.3000110.9A648 I649 I650 S655 S656A648-I652 WeakPolarHBondContact O-CG1 3.31Å; A648-I652 PolarHBondContact O-N 2.83Å; A648-I652 VanDerWaalsContact O-N 3.14Å; I649-I652 PolarHBondContact O-N 2.85Å; I649-I652 VanDerWaalsContact O-N 3.16Å; I650-I652 VanDerWaalsContact C-N 3.35Å; I650-I652 PolarHBondContact O-N 2.99Å; I652-S655 PolarHBondContact O-N 2.87Å; I652-S656 WeakPolarHBondContact O-CB 3.4Å; I652-S656 PolarHBondContact O-N 2.83Å; I652-S656 PolarHBondContact O-OG 3.02Å
653V81.4Confident77.1Confident93 Ų9383.3 Ų83.356%0.56448%0.483SS*.Hα-helixtrans-66-43.1176173.40000111.5I649 I650 S656 G657I649-V653 WeakPolarHBondContact O-CG2 3.35Å; I649-V653 PolarHBondContact O-N 3.35Å; I650-V653 PolarHBondContact O-N 2.96Å; V653-S656 PolarHBondContact O-OG 2.87Å; V653-S656 VanDerWaalsContact O-OG 3.09Å; V653-G657 PolarHBondContact O-N 2.96Å
654I84.3Confident77.9Confident98 Ų9883.7 Ų83.750%0.50348%0.479SS..Hα-helixtrans-65.1-45.9175.6-69.1170.3000110.6I650 S656 G657 V658I650-I654 HydrophobicContact CG2-CD1 3.59Å; I650-I654 HydrophobicContact CG2-CG1 4.25Å; I650-I654 WeakPolarHBondContact O-CB 3.38Å; I650-I654 VanDerWaalsContact O-CG1 3.3Å; I650-I654 WeakPolarHBondContact O-CG1 3.41Å; I650-I654 PolarHBondContact O-N 3.14Å; I654-S656 PolarHBondContact O-N 2.94Å; I654-G657 PolarHBondContact O-N 2.88Å; I654-V658 HydrophobicContact CG2-CG2 4.3Å; I654-V658 WeakPolarHBondContact O-CB 3.28Å; I654-V658 WeakPolarHBondContact O-CG2 3.48Å; I654-V658 PolarHBondContact O-N 2.81Å
655S81.8Confident79.1Confident85 Ų8584.8 Ų84.859%0.59449%0.485SS*.Hα-helixtrans-59.7-46.4179.3-177.40000112.1L651 I652 V658 G659L651-S655 WeakPolarHBondContact O-CB 3.41Å; L651-S655 PolarHBondContact O-N 3.31Å; I652-S655 PolarHBondContact O-N 2.87Å; S655-V658 PolarHBondContact O-N 2.91Å; S655-G659 PolarHBondContact O-N 2.73Å
656S83.3Confident79.8Confident66 Ų6685.7 Ų85.746%0.46249%0.489SS..Hα-helixtrans-68.1-38175.853.70000112.9I652 V653 I654 G659 L660I652-S656 WeakPolarHBondContact O-CB 3.4Å; I652-S656 PolarHBondContact O-N 2.83Å; I652-S656 PolarHBondContact O-OG 3.02Å; V653-S656 PolarHBondContact O-OG 2.87Å; V653-S656 VanDerWaalsContact O-OG 3.09Å; I654-S656 PolarHBondContact O-N 2.94Å; S656-G659 PolarHBondContact O-N 2.86Å; S656-L660 WeakPolarHBondContact O-CB 3.36Å; S656-L660 PolarHBondContact O-N 2.92Å
657G85.6Confident80.4Confident30 Ų3083.1 Ų83.131%0.30948%0.48SS..Hα-helixtrans-64.1-40.8174.200000113.7V653 I654 S661V653-G657 PolarHBondContact O-N 2.96Å; I654-G657 PolarHBondContact O-N 2.88Å; G657-S661 WeakPolarHBondContact O-CB 3.4Å; G657-S661 PolarHBondContact O-N 3.33Å; G657-S661 PolarHBondContact O-OG 3.34Å
658V88.3Confident81.2Confident79 Ų7981.4 Ų81.448%0.47947%0.474SS..Hα-helixtrans-67.6-40.5173.8171.40000110.8I654 S655 S661 L662I654-V658 HydrophobicContact CG2-CG2 4.3Å; I654-V658 WeakPolarHBondContact O-CB 3.28Å; I654-V658 WeakPolarHBondContact O-CG2 3.48Å; I654-V658 PolarHBondContact O-N 2.81Å; S655-V658 PolarHBondContact O-N 2.91Å; V658-S661 PolarHBondContact O-N 3.12Å; V658-L662 HydrophobicContact CG1-CD1 4.06Å; V658-L662 HydrophobicContact CG1-CG 4.5Å; V658-L662 WeakPolarHBondContact O-CB 3.33Å; V658-L662 WeakPolarHBondContact O-CG 3.39Å; V658-L662 PolarHBondContact O-N 2.84Å
659G85.2Confident81.8Confident30 Ų3085.3 Ų85.331%0.30949%0.491SS..Hα-helixtrans-59.6-47.1173.600000113S655 S656 L662 L663S655-G659 PolarHBondContact O-N 2.73Å; S656-G659 PolarHBondContact O-N 2.86Å; G659-L662 PolarHBondContact O-N 3.29Å; G659-L663 WeakPolarHBondContact O-CG 3.32Å; G659-L663 PolarHBondContact O-N 3.32Å
660L86.9Confident82.2Confident108 Ų10885.2 Ų85.257%0.56549%0.494SS*.Hα-helixtrans-60.3-43.4172.8-96.7153.2000112.2S656 L662 L663 I664S656-L660 WeakPolarHBondContact O-CB 3.36Å; S656-L660 PolarHBondContact O-N 2.92Å; L660-L662 PolarHBondContact O-N 3.26Å; L660-L663 PolarHBondContact O-N 3.4Å; L660-I664 VanDerWaalsContact O-CG1 3.31Å; L660-I664 WeakPolarHBondContact O-CG1 3.39Å; L660-I664 PolarHBondContact O-N 3.39Å
661S84.8Confident81.8Confident63 Ų6384.9 Ų84.944%0.44150%0.499SS..Hα-helixtrans-62.5-41.5177.7-59.10000111.9G657 V658 I664 I665G657-S661 WeakPolarHBondContact O-CB 3.4Å; G657-S661 PolarHBondContact O-N 3.33Å; G657-S661 PolarHBondContact O-OG 3.34Å; V658-S661 PolarHBondContact O-N 3.12Å; S661-I664 PolarHBondContact O-N 2.66Å; S661-I665 WeakPolarHBondContact O-CD1 3.36Å; S661-I665 VanDerWaalsContact O-CG1 3.26Å; S661-I665 WeakPolarHBondContact O-CG1 3.36Å; S661-I665 PolarHBondContact O-N 2.93Å
662L86.6Confident81.4Confident94 Ų9486.5 Ų86.549%0.49250%0.502SS..Hα-helixtrans-65.8-40.1174.7-74.9168.4000112.2V658 G659 L660 I664 I665 I666V658-L662 HydrophobicContact CG1-CD1 4.06Å; V658-L662 HydrophobicContact CG1-CG 4.5Å; V658-L662 WeakPolarHBondContact O-CB 3.33Å; V658-L662 WeakPolarHBondContact O-CG 3.39Å; V658-L662 PolarHBondContact O-N 2.84Å; G659-L662 PolarHBondContact O-N 3.29Å; L660-L662 PolarHBondContact O-N 3.26Å; L662-I664 VanDerWaalsContact C-N 3.33Å; L662-I664 PolarHBondContact O-N 2.61Å; L662-I665 PolarHBondContact O-N 2.97Å; L662-I666 WeakPolarHBondContact O-CB 3.24Å; L662-I666 WeakPolarHBondContact O-CD1 3.37Å; L662-I666 WeakPolarHBondContact O-CG1 3.03Å; L662-I666 PolarHBondContact O-N 3.21Å
663L85.1Confident80.8Confident115 Ų11584.5 Ų84.560%0.60250%0.498SS*.Hα-helixtrans-63.7-37.3174.1-72.4169.8000112.4G659 L660 S667G659-L663 WeakPolarHBondContact O-CG 3.32Å; G659-L663 PolarHBondContact O-N 3.32Å; L660-L663 PolarHBondContact O-N 3.4Å; L663-S667 WeakPolarHBondContact O-CB 3.35Å; L663-S667 PolarHBondContact O-N 2.87Å; L663-S667 PolarHBondContact O-OG 2.94Å
664I84.3Confident79.8Confident98 Ų9883.6 Ų83.650%0.50349%0.493SS..Hα-helixtrans-67.2-44.8173.4-67.6163.5000110.7L660 S661 L662 I666 S667 V668L660-I664 VanDerWaalsContact O-CG1 3.31Å; L660-I664 WeakPolarHBondContact O-CG1 3.39Å; L660-I664 PolarHBondContact O-N 3.39Å; S661-I664 PolarHBondContact O-N 2.66Å; L662-I664 VanDerWaalsContact C-N 3.33Å; L662-I664 PolarHBondContact O-N 2.61Å; I664-I666 VanDerWaalsContact C-N 3.34Å; I664-I666 PolarHBondContact O-N 3.47Å; I664-S667 PolarHBondContact O-N 3.22Å; I664-S667 PolarHBondContact O-OG 2.89Å; I664-V668 HydrophobicContact CG2-CG2 4.44Å; I664-V668 WeakPolarHBondContact O-CB 3.28Å; I664-V668 VanDerWaalsContact O-CG2 3.28Å; I664-V668 WeakPolarHBondContact O-CG2 3.49Å; I664-V668 PolarHBondContact O-N 2.91Å
665I83.9Confident78.6Confident94 Ų9483.7 Ų83.748%0.48249%0.491SS..Hα-helixtrans-62-42.1176.5-70162.7000110.8S661 L662 V668 L669S661-I665 WeakPolarHBondContact O-CD1 3.36Å; S661-I665 VanDerWaalsContact O-CG1 3.26Å; S661-I665 WeakPolarHBondContact O-CG1 3.36Å; S661-I665 PolarHBondContact O-N 2.93Å; L662-I665 PolarHBondContact O-N 2.97Å; I665-V668 PolarHBondContact O-N 3.27Å; I665-L669 HydrophobicContact CG2-CD1 3.85Å; I665-L669 HydrophobicContact CG2-CG 4.36Å; I665-L669 WeakPolarHBondContact O-CB 3.49Å; I665-L669 VanDerWaalsContact O-CG 3.25Å; I665-L669 WeakPolarHBondContact O-CG 3.37Å; I665-L669 PolarHBondContact O-N 2.89Å
666I83Confident77.4Confident96 Ų9684.7 Ų84.749%0.49249%0.486SS..Hα-helixtrans-64.4-44.1176.5-70163.6000111L662 I664 V668 L669 V670L662-I666 WeakPolarHBondContact O-CB 3.24Å; L662-I666 WeakPolarHBondContact O-CD1 3.37Å; L662-I666 WeakPolarHBondContact O-CG1 3.03Å; L662-I666 PolarHBondContact O-N 3.21Å; I664-I666 VanDerWaalsContact C-N 3.34Å; I664-I666 PolarHBondContact O-N 3.47Å; I666-V668 PolarHBondContact O-N 2.88Å; I666-L669 PolarHBondContact O-N 3.35Å; I666-V670 WeakPolarHBondContact O-CG2 3.29Å; I666-V670 PolarHBondContact O-N 2.81Å
667S77.8Confident76.1Confident69 Ų6991.6 Ų91.648%0.48350%0.502SS..Hα-helixtrans-66.5-37.1178.472.70000112.3L663 I664 V670 C671L663-S667 WeakPolarHBondContact O-CB 3.35Å; L663-S667 PolarHBondContact O-N 2.87Å; L663-S667 PolarHBondContact O-OG 2.94Å; I664-S667 PolarHBondContact O-N 3.22Å; I664-S667 PolarHBondContact O-OG 2.89Å; S667-V670 PolarHBondContact O-N 2.91Å; S667-C671 WeakPolarHBondContact O-CB 3.4Å; S667-C671 PolarHBondContact O-N 2.79Å
668V80.2Confident74.8Confident67 Ų6796.1 Ų96.141%0.40652%0.519SS..Hα-helixtrans-64.7-44.1172.3168.80000111.6I664 I665 I666 C671 F672I664-V668 HydrophobicContact CG2-CG2 4.44Å; I664-V668 WeakPolarHBondContact O-CB 3.28Å; I664-V668 VanDerWaalsContact O-CG2 3.28Å; I664-V668 WeakPolarHBondContact O-CG2 3.49Å; I664-V668 PolarHBondContact O-N 2.91Å; I665-V668 PolarHBondContact O-N 3.27Å; I666-V668 PolarHBondContact O-N 2.88Å; V668-C671 VanDerWaalsContact O-CB 3.32Å; V668-C671 WeakPolarHBondContact O-CB 3.24Å; V668-C671 PolarHBondContact O-N 2.91Å; V668-C671 VanDerWaalsContact O-N 3.17Å; V668-F672 HydrophobicContact CG1-CD2 3.7Å; V668-F672 HydrophobicContact CG1-CE2 3.64Å; V668-F672 VanDerWaalsContact O-CD2 3.31Å; V668-F672 WeakPolarHBondContact O-CD2 3.41Å; V668-F672 PolarHBondContact O-N 2.94Å
669L78.4Confident73Confident109 Ų10998.6 Ų98.657%0.57152%0.523SS*.Hα-helixtrans-64.6-39175.7-74.7170000112.2I665 I666 C671 F672 S673I665-L669 HydrophobicContact CG2-CD1 3.85Å; I665-L669 HydrophobicContact CG2-CG 4.36Å; I665-L669 WeakPolarHBondContact O-CB 3.49Å; I665-L669 VanDerWaalsContact O-CG 3.25Å; I665-L669 WeakPolarHBondContact O-CG 3.37Å; I665-L669 PolarHBondContact O-N 2.89Å; I666-L669 PolarHBondContact O-N 3.35Å; L669-C671 VanDerWaalsContact C-N 3.33Å; L669-F672 PolarHBondContact O-N 2.88Å; L669-S673 WeakPolarHBondContact O-CB 3.3Å; L669-S673 PolarHBondContact O-N 3.24Å
670V77.3Confident71.6Confident84 Ų84105.6 Ų105.651%0.50955%0.549SS..Hα-helixtrans-60.8-45.3170.9168.50000110I666 S667 F672 S673 T674I666-V670 WeakPolarHBondContact O-CG2 3.29Å; I666-V670 PolarHBondContact O-N 2.81Å; S667-V670 PolarHBondContact O-N 2.91Å; V670-F672 PolarHBondContact O-N 2.7Å; V670-S673 PolarHBondContact O-N 3.3Å; V670-S673 VanDerWaalsContact O-N 3.11Å; V670-S673 PolarHBondContact O-OG 2.72Å; V670-T674 PolarHBondContact O-N 3.06Å; V670-T674 VanDerWaalsContact O-N 3.12Å
671C67.4Low70.2Confident84 Ų84105 Ų10557%0.56855%0.553SS**Hα-helixtrans-58.3-49.2177.2-149.60000111.7S667 V668 L669 S673 T674 H675S667-C671 WeakPolarHBondContact O-CB 3.4Å; S667-C671 PolarHBondContact O-N 2.79Å; V668-C671 VanDerWaalsContact O-CB 3.32Å; V668-C671 WeakPolarHBondContact O-CB 3.24Å; V668-C671 PolarHBondContact O-N 2.91Å; V668-C671 VanDerWaalsContact O-N 3.17Å; L669-C671 VanDerWaalsContact C-N 3.33Å; C671-S673 VanDerWaalsContact C-N 3.32Å; C671-S673 PolarHBondContact O-N 2.95Å; C671-T674 PolarHBondContact O-N 2.78Å; C671-T674 VanDerWaalsContact O-N 3.15Å; C671-T674 PolarHBondContact O-OG1 3.36Å; C671-H675 PolarHBondContact O-N 2.84Å
672F67.4Low68.7Low139 Ų139110.3 Ų110.361%0.6157%0.569SS**Hα-helixtrans-64.3-31.6174.4-79.7-67.6000113.5V668 L669 V670 T674 H675V668-F672 HydrophobicContact CG1-CD2 3.7Å; V668-F672 HydrophobicContact CG1-CE2 3.64Å; V668-F672 VanDerWaalsContact O-CD2 3.31Å; V668-F672 WeakPolarHBondContact O-CD2 3.41Å; V668-F672 PolarHBondContact O-N 2.94Å; L669-F672 PolarHBondContact O-N 2.88Å; V670-F672 PolarHBondContact O-N 2.7Å; F672-T674 VanDerWaalsContact C-N 3.28Å; F672-T674 PolarHBondContact O-N 3.17Å; F672-H675 WeakPolarHBondContact O-CB 3.39Å; F672-H675 PolarHBondContact O-N 2.84Å
673S64.3Low67.2Low74 Ų74117 Ų11752%0.51759%0.588SS.*Hα-helixtrans-66.9-28.3174.581.40000113L669 V670 C671L669-S673 WeakPolarHBondContact O-CB 3.3Å; L669-S673 PolarHBondContact O-N 3.24Å; V670-S673 PolarHBondContact O-N 3.3Å; V670-S673 VanDerWaalsContact O-N 3.11Å; V670-S673 PolarHBondContact O-OG 2.72Å; C671-S673 VanDerWaalsContact C-N 3.32Å; C671-S673 PolarHBondContact O-N 2.95Å
674T60.2Low65.2Low74 Ų74116.9 Ų116.945%0.45459%0.594SS.*Hα-helixtrans-78.1-25.5173.465.40000113.3V670 C671 F672 E676 R677 L678V670-T674 PolarHBondContact O-N 3.06Å; V670-T674 VanDerWaalsContact O-N 3.12Å; C671-T674 PolarHBondContact O-N 2.78Å; C671-T674 VanDerWaalsContact O-N 3.15Å; C671-T674 PolarHBondContact O-OG1 3.36Å; F672-T674 VanDerWaalsContact C-N 3.28Å; F672-T674 PolarHBondContact O-N 3.17Å; T674-E676 PolarHBondContact O-N 3.27Å; T674-R677 PolarHBondContact O-N 3.43Å; T674-R677 VanDerWaalsContact O-N 3.09Å; T674-L678 PolarHBondContact O-N 3.02Å
675H58.3Low63.3Low99 Ų99122.5 Ų122.546%0.45862%0.615SS.*Hα-helixtrans-60.9-41.6177.4179.7-97.5000112.9C671 F672 R677 L678C671-H675 PolarHBondContact O-N 2.84Å; F672-H675 WeakPolarHBondContact O-CB 3.39Å; F672-H675 PolarHBondContact O-N 2.84Å; H675-R677 VanDerWaalsContact C-N 3.25Å; H675-R677 PolarHBondContact O-N 2.78Å; H675-L678 PolarHBondContact O-N 3.46Å; H675-L678 VanDerWaalsContact O-N 3.12Å
676E56.5Low61.3Low106 Ų106125.1 Ų125.150%0.49563%0.628SS.*Hα-helixtrans-67.9-22.8175.5-75.3-54.8122.900113.4T674 L678 K679T674-E676 PolarHBondContact O-N 3.27Å; E676-L678 VanDerWaalsContact C-N 3.35Å; E676-K679 WeakPolarHBondContact OE1-CE 3.5Å; E676-K679 IonicContact OE1-NZ 3.16Å; E676-K679 PolarHBondContact OE1-NZ 3.18Å; E676-K679 IonicContact OE2-NZ 2.78Å; E676-K679 PolarHBondContact OE2-NZ 3.07Å
677R57.4Low59.1Low212 Ų212126.2 Ų126.280%0.864%0.641SS**Hα-helixtrans-77.5-18.4172.4-71.7-161.1167.4-143.7-4.5113.7T674 H675T674-R677 PolarHBondContact O-N 3.43Å; T674-R677 VanDerWaalsContact O-N 3.09Å; H675-R677 VanDerWaalsContact C-N 3.25Å; H675-R677 PolarHBondContact O-N 2.78Å
678L58.4Low57.4Low125 Ų125129.6 Ų129.665%0.65465%0.654SS**Hα-helixtrans-78.8-24.8176.8-75162.8000113.4T674 H675 E676 M680T674-L678 PolarHBondContact O-N 3.02Å; H675-L678 PolarHBondContact O-N 3.46Å; H675-L678 VanDerWaalsContact O-N 3.12Å; E676-L678 VanDerWaalsContact C-N 3.35Å; L678-M680 VanDerWaalsContact C-N 3.28Å; L678-M680 PolarHBondContact O-N 3.25Å
679K50.1Low55.7Low131 Ų131132.2 Ų132.257%0.5767%0.672SS**G310 helixtrans-65.7-25.2177.6-76178.5-179.6164.10114.4E676 C681E676-K679 WeakPolarHBondContact OE1-CE 3.5Å; E676-K679 IonicContact OE1-NZ 3.16Å; E676-K679 PolarHBondContact OE1-NZ 3.18Å; E676-K679 IonicContact OE2-NZ 2.78Å; E676-K679 PolarHBondContact OE2-NZ 3.07Å; K679-C681 VanDerWaalsContact C-N 3.26Å; K679-C681 PolarHBondContact O-N 2.66Å
680M54.7Low53.8Low176 Ų176130 Ų13087%0.86767%0.67SS**G310 helixtrans-77.60.3-173.5-80.1-66.4-128.200115.3L678L678-M680 VanDerWaalsContact C-N 3.28Å; L678-M680 PolarHBondContact O-N 3.25Å
681C58.5Low51.9Low96 Ų96133.6 Ų133.665%0.64969%0.687SS**G310 helixtrans-104.4-9.9-171.8-67.70000116.4K679K679-C681 VanDerWaalsContact C-N 3.26Å; K679-C681 PolarHBondContact O-N 2.66Å
682F53.3Low50.5Low175 Ų175135.8 Ų135.877%0.76870%0.702SS**SBendtrans-132.9-8.2-162-92.1-74.1000119.9
683W53.8Low49.3Very low234 Ų234134.7 Ų134.789%0.88671%0.712SS**  trans-139.3118.3178.9-73.487.5000113.5
684P43.8Very low48.2Very low113 Ų113139.1 Ų139.173%0.73473%0.729SS**  trans-83.2164.4172.334.4-34.4000112.4
685K44.6Very low46.8Very low215 Ų215144.3 Ų144.394%0.93575%0.745SS**  trans-69.5140.9176.3-68.1-179.4176.6-179.90111.9
686I41.4Very low45.7Very low149 Ų149150 Ų15076%0.76476%0.762SS**  trans-111.3140.8170-62176.3000108.8
687P37.4Very low44.8Very low119 Ų119155.7 Ų155.777%0.77378%0.779SS**  trans-85.1169.5-173.9-10.129.4000115.4
688D41.5Very low43.5Very low141 Ų141150.8 Ų150.875%0.75477%0.769SS**  trans-85.1122.2179.5175.619.1000112.9A690D688-A690 PolarHBondContact O-N 3.02Å
689P44.2Very low42.3Very low121 Ų121150.6 Ų150.679%0.78677%0.773SS**  trans-88.377172.836.2-32.9000111.7
690A40Very low41.6Very low63 Ų63152 Ų15252%0.52179%0.786SS.*  trans-60.1152.8172.200000112.8D688D688-A690 PolarHBondContact O-N 3.02Å
691N36.1Very low40.5Very low160 Ų160150.4 Ų150.486%0.85678%0.781SS**  trans69.2101.6171.8-50.2-66.3000117.7
692S37.4Very low39.2Very low129 Ų129150.7 Ų150.790%0.90278%0.784SS**  -156.4156.5111.158.30000110.5
693S43.8Very low38.1Very low117 Ų117149.3 Ų149.382%0.81878%0.782SS**  trans-127.9125.4-171.450.20000111.4
694I40.4Very low37.2Very low167 Ų167145 Ų14586%0.85677%0.771SS**  trans-151.4131.5163.2-139164.3000115.2
695K31Very low36.5Very low182 Ų182146.6 Ų146.679%0.79177%0.774SS**  trans60.5108.4155.7-112.6172.4178.8177.50121.6
696R35.8Very low35.8Very low220 Ų220142.1 Ų142.183%0.8377%0.765SS**  trans-81.5141.5149.5-106.2-177.8176.5166.2-2.8110.9
697W37Very low35.9Very low225 Ų225140.8 Ų140.885%0.85277%0.765SS**  trans-155.6132137.5-80.188.6000104.4
698N29Very low36.5Very low109 Ų109140.5 Ų140.558%0.58376%0.764SS**  cis67.4129.340.4-70.644.5000112.8
699T34.3Very low35.9Very low121 Ų121139.6 Ų139.674%0.74276%0.763SS**  cis-167.7158.61.84.50000112
700L34.3Very low35.3Very low161 Ų161141.7 Ų141.784%0.84376%0.762SS**  trans73.9167.2151.3-150.661.8000119
701D32.9Very low34.7Very low141 Ų141144.8 Ų144.875%0.75477%0.77SS**  trans69.1137.4177.7-76.17.1000117.8
702S31.2Very low34.3Very low102 Ų102144.2 Ų144.271%0.71376%0.764SS**  cis-151.8178.9-8.9-156.50000113.4
703M30.8Very low33.9Very low146 Ų146146.1 Ų146.172%0.71976%0.759SS**  trans-66175.6173-37.7175.878.900110.5
704Q33.9Very low33Very low143 Ų143149.1 Ų149.167%0.66876%0.76SS**  cis-163.2159.77.3-147.4152.8-2500108.3
705D29.7Very low32.4Very low148 Ų148146.4 Ų146.479%0.79176%0.755SS**  177.9143.9111.8-97.6-19.3000115.1
706T29.6Very low32.2Very low121 Ų121142.8 Ų142.874%0.74275%0.753SS**  trans-160.9146.2166.7-18.40000104.9
707P43.3Very low32Very low120 Ų120140.4 Ų140.478%0.77976%0.756SS**  -147.2-174105.639.6-21.2000111.5
708P51.1Low31.6Very low113 Ų113136.9 Ų136.973%0.73476%0.759SS**  trans-125.8-169.3-147.539-21.5000114.8
709V27.8Very low31.6Very low122 Ų122141.5 Ų141.574%0.73977%0.77SS**  177.6160.2119.1152.50000110.7
710E32.7Very low31.2Very low166 Ų166142.5 Ų142.578%0.77677%0.77SS**  trans-45.4167.7-179.8-67.9139.4144.700116.5
711D27.5Very low30.9Very low127 Ų127139 Ų13968%0.67976%0.759SS**  cis-158.9163.331-153.55.4000116.2
712M27.1Very low30.8Very low148 Ų148138.9 Ų138.973%0.72976%0.758SS**  trans32.5157.2161-74.1-167.7-67.700123
713Q28.1Very low30.7Very low170 Ų170141.1 Ų141.179%0.79476%0.761SS**  cis-171.3174.3-30.8-176.2152.8-71.300107.3
714E26.2Very low30.4Very low180 Ų180138.7 Ų138.784%0.84176%0.759SS**  trans86142.5174.4-63.3-158.6151.700116.7
715S26Very low30.1Very low109 Ų109139.2 Ų139.276%0.76277%0.765SS**  cis-157.8159.9-13.5480000111
716S26.8Very low30.1Very low106 Ų106138.7 Ų138.774%0.74176%0.762SS**  trans-154.8123.3172.462.70000115.1
717L31.8Very low30Very low171 Ų171139.1 Ų139.190%0.89576%0.759SS**  trans28.5115.1142.2-66.2163.8000120.1
718V30Very low29.3Very low150 Ų150139.9 Ų139.991%0.90976%0.756SS**  trans-138150.3148.8-177.90000110.8
719Y28.6Very low28.9Very low207 Ų207139.2 Ų139.281%0.81275%0.752SS**  trans-88.9164.3-174.8-98.6-100.7000115
720L25.7Very low29.2Very low141 Ų141141.8 Ų141.874%0.73875%0.753SS**  trans48.4110.5144.6-78.8162.3000122
721S29Very low29.2Very low89 Ų89142.8 Ų142.862%0.62276%0.755SS**  97.9141.2108.778.70000122.9
722N30Very low29.3Very low137 Ų137140.2 Ų140.273%0.73376%0.759SS**  trans90123.3142.9-67.5-16.1000122.5
723L28.1Very low29.4Very low150 Ų150139.7 Ų139.779%0.78576%0.758SS**  trans5895.1143.1-58.8165.6000117.3
724S26.4Very low29.5Very low94 Ų94138 Ų13866%0.65775%0.75SS**  66.6116.772.979.50000115.9
725L26.2Very low29.5Very low154 Ų154137.6 Ų137.681%0.80675%0.745SS**  -179167.8102.7-145.566.5000112.3
726L29.6Very low29.5Very low138 Ų138143.2 Ų143.272%0.72375%0.75SS**  trans75.892159.7-63.6171000121
727D28.1Very low29.5Very low129 Ų129141.6 Ų141.669%0.6975%0.75SS**  63.5102.4116.2-73.17.4000123.9
728L28.1Very low29.3Very low137 Ų137137.1 Ų137.172%0.71775%0.746SS**  70.9157.7122.1-96.681000119.3
729P42.9Very low29.3Very low99 Ų99138.4 Ų138.464%0.64374%0.742SS**  cis-140.9156.533.641.1-22.3000119.5
730K34Very low29.5Very low176 Ų176135.4 Ų135.477%0.76574%0.738SS**  trans52.1145.2136.4-61.9166-170.4163.30119
731K33Very low29.7Very low187 Ų187134.2 Ų134.281%0.81374%0.737SS**  cis-159.2134.73.2-124.4177176.2-171.80105.4
732G30.5Very low29.6Very low73 Ų73136.9 Ų136.975%0.75374%0.744SS**  116.7161.387.400000109.6
733L27.9Very low29.3Very low136 Ų136137.2 Ų137.271%0.71275%0.746SS**  cis-153.1113.33.9-177.177.2000110.7
734E29.8Very low29.8Very low136 Ų136134.6 Ų134.664%0.63674%0.738SS**  trans60.1153.1150.5-59.3-178.7126.400119.5
735K28.2Very low29.7Very low170 Ų170141.7 Ų141.774%0.73975%0.75SS**  cis-173.7156.8-16.7-102.5165.7179.71660103.6
736R25.4Very low29.7Very low227 Ų227139.9 Ų139.986%0.85775%0.749SS**  cis-176.3132.2-12.9155.1-176.2-86.9-144.5-3.6101.6
737G26.2Very low29.3Very low73 Ų73144.9 Ų144.975%0.75376%0.759SS**  cis97.1122.142.600000109.3
738G28.5Very low29.1Very low77 Ų77144.4 Ų144.479%0.79476%0.764SS**  cis-177.4-151.24.200000114
739E29.5Very low29Very low177 Ų177142.2 Ų142.283%0.82776%0.76SS**  trans-52.4148.1-175.5-81.4158.9117.200117
740I32.5Very low28.2Very low143 Ų143144.2 Ų144.273%0.73377%0.765SS**  67.7129.174-86168.9000112.1
741T29.6Very low27.9Very low117 Ų117141.9 Ų141.972%0.71877%0.766SS**  cis-122.9-143-0.87.60000111.1
742D26.3Very low27.7Very low144 Ų144137.9 Ų137.977%0.7776%0.762SS**  cis-158.3177.89.7-133.8-63000113.6
743D25.4Very low27.7Very low144 Ų144141.5 Ų141.577%0.7776%0.764SS**  trans-105.6-178.3-170.8-110.9-36.2000112.9
744P37.1Very low27.9Very low95 Ų95143.6 Ų143.662%0.61778%0.775SS**  cis-136.9-170.9-8.322.14.9000115.7
745W25.9Very low27.9Very low243 Ų243140.3 Ų140.392%0.9278%0.777SS**  trans87.9148.3160.6-69.696.2000121
746C24.2Very low28Very low116 Ų116141.4 Ų141.478%0.78479%0.785SS**  trans-104.4150.1-167.2-410000114.6
747R22Very low28.3Very low244 Ų244134.5 Ų134.592%0.92177%0.771SS**  trans-156.6159.9141.3-150.6164.9-71.9-164.3-0.3112
748C23.8Very low28.6Very low119 Ų119138.5 Ų138.580%0.80477%0.774SS**  trans-74.2172.9170.8-42.60000110.8
749S25.3Very low28.5Very low91 Ų91140.7 Ų140.764%0.63678%0.776SS**  cis-158177.519.451.10000113.9
750D26.7Very low28.4Very low140 Ų140135.3 Ų135.375%0.74977%0.768SS**  trans81.4154.3150.5-56.4-45.1000123
751T26.9Very low28.4Very low128 Ų128133.3 Ų133.379%0.78577%0.766SS**  trans71.789.7164.346.10000121.4
752S29.6Very low28.7Very low103 Ų103133.9 Ų133.972%0.7277%0.772SS**  66.9138.9120.959.40000124.3
753D30.6Very low28.9Very low148 Ų148135.5 Ų135.579%0.79178%0.775SS**  trans80.4141.6149.7-73-17.7000122.4
754L32.5Very low29Very low180 Ų180133.3 Ų133.394%0.94278%0.777SS**  trans67.6144.8174.9-53.6166.5000116.2
755G28.5Very low28.6Very low67 Ų67137 Ų13769%0.69179%0.79SS**  cis159114.9-11.600000113.5
756E32.1Very low28.7Very low194 Ų194130.7 Ų130.791%0.90778%0.783SS**  trans60.2166.6172.6-65.9-170.5161.200117.2
757S31.5Very low29.6Very low81 Ų81131.2 Ų131.257%0.56679%0.785SS**  cis-166.8171.9-42.866.50000109.3
758I32Very low29.8Very low157 Ų157124.9 Ų124.981%0.80578%0.778SS**  trans68.9138.2160-67.8167.3000115.2
759C27Very low30Very low124 Ų124129.4 Ų129.484%0.83878%0.78SS**  cis-150.9171.9-6-125.30000107.7
760G26.8Very low30.1Very low63 Ų63132.8 Ų132.865%0.64979%0.789SS**  cis169.1165.70.100000111.5
761S31.8Very low30.1Very low101 Ų101129.5 Ų129.571%0.70679%0.789SS**  trans-73.2171.2174-43.50000112.3
762P36.2Very low30.2Very low129 Ų129128.5 Ų128.584%0.83879%0.787SS**  -135.3150.2101.137-27.8000114.5
763H30.5Very low30.2Very low178 Ų178131 Ų13182%0.82479%0.787SS**  trans-86.4149.4169.8-71.8-86.8000111.4
764A27Very low30Very low99 Ų99130.8 Ų130.882%0.81878%0.781SS**  trans-84152.9166.100000111.6
765L29.8Very low29.7Very low172 Ų172129.8 Ų129.890%0.90177%0.771SS**  trans-142.4163.6169-96.2173.4000111.5
766S28.1Very low29.7Very low110 Ų110132 Ų13277%0.76978%0.776SS**  trans-78.7164.9-156.4-46.90000116.4
767P42Very low29.5Very low128 Ų128129.3 Ų129.383%0.83177%0.773SS**  trans-102.7162.8-166.239.3-35.8000116
768S26.3Very low30.1Very low111 Ų111129.1 Ų129.178%0.77677%0.77SS**  trans-157.4117.5161.259.70000115.5
769Y27.7Very low30Very low213 Ų213131.9 Ų131.984%0.83577%0.771SS**  trans69.1114.4145.3-83.6-105.6000124.2
770I28.7Very low30.1Very low162 Ų162130.6 Ų130.683%0.83177%0.77SS**  trans65.7127.8142.8-60.8178.9000120
771G27.4Very low30.2Very low72 Ų72133.3 Ų133.374%0.74277%0.774SS**  trans170.632.8169.100000120.6
772S28.1Very low30.1Very low106 Ų106135 Ų13574%0.74178%0.78SS**  trans14.4152.7164.657.70000125.4
773H28.5Very low29.7Very low156 Ų156133.1 Ų133.172%0.72277%0.766SS**  trans91.497.4159.5-69.2-79.4000122.6
774Q27.4Very low29.5Very low143 Ų143133.3 Ų133.367%0.66876%0.764SS**  85.4129.6119-97.4169.9-62.800125
775H26.8Very low29.4Very low159 Ų159135.4 Ų135.474%0.73676%0.762SS**  trans88.9146.6145.9-72.1-59.5000124
776S27Very low29.4Very low113 Ų113131.2 Ų131.279%0.7975%0.747SS**  trans71.192.9163.636.50000121.4
777V29.5Very low30.1Very low138 Ų138131.6 Ų131.684%0.83675%0.747SS**  trans-74.3144.7143168.20000108
778P43.6Very low29.5Very low78 Ų78135.7 Ų135.751%0.50675%0.747SS.*  -159.5157.5102.540.9-20000120.6
779Y29.8Very low29.6Very low214 Ų214135.6 Ų135.684%0.83975%0.746SS**  trans54.6154.9156.447-128000121.3
780A29.5Very low29.7Very low98 Ų98131.8 Ų131.881%0.8174%0.739SS**  cis-135.9-178.916.700000115.1
781T28.5Very low29.7Very low119 Ų119132.6 Ų132.673%0.7374%0.739SS**  trans-150149.2-161.9-35.90000114.6V783T781-V783 HydrophobicContact CG2-CG2 3.62Å
782V30.2Very low30.6Very low138 Ų138134.6 Ų134.684%0.83674%0.739SS**  trans-153120166.5177.80000104.8
783V27.3Very low31.7Very low88 Ų88135.1 Ų135.153%0.53374%0.74SS.*  cis72120.615.6-147.10000113.4T781T781-V783 HydrophobicContact CG2-CG2 3.62Å
784F25.6Very low31.7Very low182 Ų182133.7 Ų133.780%0.79875%0.748SS**  cis-120-166.823.5-70-98.9000111.6
785D24.8Very low31.8Very low143 Ų143135.9 Ų135.977%0.76576%0.758SS**  cis-147.7-171.44.8-145.4-18.8000114.9
786S30.8Very low31.9Very low85 Ų85132.7 Ų132.759%0.59475%0.754SS**  trans-116.6-174.7-146.8-45.10000113.3
787P42.8Very low31.8Very low117 Ų117136.1 Ų136.176%0.7676%0.757SS**  cis-138.8162.23.541-21.5000119.6
788Y28.8Very low31.8Very low215 Ų215132.9 Ų132.984%0.84374%0.744SS**  trans-14.9144.4157.5-66.7-97.2000122.2
789S29.6Very low31Very low108 Ų108139 Ų13976%0.75576%0.759SS**  -170.9119.3102.6-161.70000117.5
790I28.8Very low31Very low134 Ų134135 Ų13569%0.68775%0.752SS**  trans25.8105.2137.8-48.6-178.9000122.6
791Q28.4Very low31Very low178 Ų178140.6 Ų140.683%0.83275%0.752SS**  trans59.7-169.6133.5-47.5-166.5-43.100120.6
792P46Very low31.1Very low114 Ų114139.7 Ų139.774%0.7475%0.75SS**  -131.9-144.8-118.735.8-8.7000114.1
793P52.8Low31.1Very low118 Ų118141.7 Ų141.777%0.76675%0.751SS**  -114.2155.4-82.936.9-23.1000113.7
794S27.8Very low31.4Very low126 Ų126143.3 Ų143.388%0.88177%0.766SS**  trans-161.6160.5157.650.40000112
795Q30.4Very low32.1Very low189 Ų189140.5 Ų140.588%0.88376%0.764SS**  trans-94.6144.5171.3-69.1177.8-36.100110.4
796S27.2Very low32.5Very low92 Ų92140.4 Ų140.464%0.64376%0.759SS**  144.6149.3118.361.70000114.6
797H26.7Very low33.1Very low184 Ų184142.8 Ų142.885%0.85277%0.772SS**  trans67.9159.1170.2-49.3-73.7000118.7
798A27.8Very low32.5Very low70 Ų70142.3 Ų142.358%0.57976%0.763SS**  cis-172.7167.5-41.200000109.8
799Y27.4Very low32.6Very low207 Ų207139.6 Ų139.681%0.81276%0.762SS**  trans68.7120.2172-72.4-96.8000115.4
800L29.8Very low32.6Very low131 Ų131141.2 Ų141.269%0.68676%0.758SS**  71.6138.578.9-84.1154.9000112.6
801R29.5Very low32.8Very low214 Ų214142.3 Ų142.381%0.80876%0.76SS**  cis-157.7-17920.4-162.2166.9-157.5149.12.8112.1
802S30.8Very low32.7Very low101 Ų101140.9 Ų140.971%0.70676%0.758SS**  trans103.4133.1135.882.90000116.7
803E29.7Very low32.1Very low180 Ų180142.6 Ų142.684%0.84176%0.76SS**  cis-141.7162-13.5-62.2-157.914100111.6
804S33.9Very low30.9Very low122 Ų122146.1 Ų146.185%0.85377%0.766SS**  trans-151.2136.1154.7-173.90000108.3
805T39.9Very low30.9Very low123 Ų123148.7 Ų148.776%0.75576%0.764SS**  trans-96.7131.4-16644.20000113.3
806Q32.8Very low31.6Very low141 Ų141144.4 Ų144.466%0.65975%0.753SS**  trans-78.3175.2160.2-65.9-179.9-68.600110.3
807P43.5Very low31.5Very low135 Ų135145.8 Ų145.888%0.87776%0.762SS**  -123.2166.497.535.9-32.8000114.5
808L31.5Very low31.8Very low107 Ų107142.2 Ų142.256%0.5676%0.758SS**  trans-111.3163.7-172.2-84162.7000112.9
809L30.1Very low32.2Very low158 Ų158143.8 Ų143.883%0.82776%0.763SS**  trans-158.9107.3138.8-92.5159.3000103.3
810E30.3Very low32.1Very low142 Ų142143.5 Ų143.566%0.66477%0.765SS**  55.1130.467.5-66.1179.2169.500112.9
811E32.5Very low32.3Very low157 Ų157145.5 Ų145.573%0.73477%0.771SS**  cis-152.6164.6-22.8-133169.9-178.500106.5
812D27.3Very low32.1Very low148 Ų148145.8 Ų145.879%0.79177%0.774SS**  -171.7159.591.5-99.5-37.6000112.4
813L32Very low32Very low150 Ų150149.1 Ų149.179%0.78578%0.779SS**  trans-55.4161.5-179.6-60.5152000114.1
814E29Very low32Very low191 Ų191148 Ų14889%0.89378%0.778SS**  cis-151.4163.647.8-67.8-176.9140.800115.3
815E26.5Very low31.7Very low181 Ų181148.5 Ų148.585%0.84678%0.776SS**  trans-109.1-179.6171.5-111.2-161.2-161.400110.4
816P46.2Very low31.6Very low99 Ų99148 Ų14864%0.64378%0.775SS**  cis-132.9178.7-37.937.3-21.7000112.1
817S25.2Very low31.3Very low120 Ų120148.3 Ų148.384%0.83979%0.786SS**  trans175.8148.3131.344.60000114.9
818S32.2Very low30.6Very low110 Ų110150.8 Ų150.877%0.76979%0.785SS**  trans-119.2156.3147.865.70000107
819P36.2Very low30.5Very low103 Ų103149.3 Ų149.367%0.66980%0.796SS**  -160.7165.89240.9-21.4000118.9
820K25.6Very low30.4Very low200 Ų200148.5 Ų148.587%0.8780%0.797SS**  trans80.2151.4140.8-82.9166.6-177.9176.90122.9
821E33.1Very low30.4Very low174 Ų174147.1 Ų147.181%0.81380%0.803SS**  trans-75.7163.2176.9-53.5155.595.100113
822Y25.9Very low30.2Very low219 Ų219143.3 Ų143.386%0.85981%0.807SS**  trans-146.2176140.5-118.7-82.1000111.9
823Q28.4Very low30.2Very low172 Ų172145 Ų14580%0.80481%0.81SS**  trans-86.2165.7-151.2-65.6165.7-4000116.6
824N29.9Very low30.1Very low156 Ų156147.2 Ų147.283%0.83482%0.816SS**  trans-72.4178.5179.5-69.2-71.2000115.3
825V28.4Very low30Very low133 Ų133144.3 Ų144.381%0.80681%0.811SS**  trans107127.9146.8-176.30000115.5
826P36.1Very low29.9Very low112 Ų112140.7 Ų140.773%0.72781%0.806SS**  cis-138.4159.8-34.237.7-19.6000113.8
827V27.8Very low28.8Very low148 Ų148145.8 Ų145.890%0.89782%0.819SS**  trans-138.2144.2165.2-175.10000111.5
828H28.2Very low28.9Very low187 Ų187151 Ų15187%0.86682%0.82SS**  trans-60.8141.3176.2-86.1-95.6000112.8
829G28.5Very low28.6Very low75 Ų75154.9 Ų154.977%0.77383%0.826SS**  trans-81.7138.3170.600000112.9
830T29.1Very low28.1Very low141 Ų141155.8 Ų155.887%0.86583%0.833SS**  trans-120.1148.2157.543.70000108.9
831S30.5Very low28.4Very low113 Ų113154.9 Ų154.979%0.7984%0.837SS**PPolyproline II helixtrans-73.2131.1-175.948.90000112
832G27.1Very low28.1Very low78 Ų78154.6 Ų154.680%0.80484%0.841SS**PPolyproline II helixtrans-74.7126.5167.500000111.4
833E28.6Very low28.2Very low184 Ų184152.3 Ų152.386%0.8684%0.843SS**PPolyproline II helixtrans-85.9139.3164.4-68.8-171.6116.600109.9
834Q29Very low28.2Very low195 Ų195147.1 Ų147.191%0.91184%0.836SS**PPolyproline II helixtrans-81.5119.3174-67.7-178.9-69.900109.7S836Q834-S836 PolarHBondContact O-N 3.47Å
835V27.2Very low28.5Very low130 Ų130146.2 Ų146.279%0.78884%0.839SS**  trans-72.6113.3170.4178.90000109
836S24.9Very low28.4Very low106 Ų106143.3 Ų143.374%0.74184%0.836SS**  trans-103.8123.9168.963.20000110Q834Q834-S836 PolarHBondContact O-N 3.47Å
837F23.6Very low28Very low206 Ų206150.4 Ų150.490%0.90485%0.848SS**  trans-65.6144.9174.4-70.2-95.8000111.3
838R25.9Very low28.1Very low230 Ų230147 Ų14787%0.86884%0.842SS**  trans-138.6129.8174.3-171179.4-173.1-173.51.4108.9
839E27.2Very low28Very low190 Ų190147.1 Ų147.189%0.88884%0.844SS**  trans-71.2142.2178.8-63.6167.211800111.1
840C25.9Very low28.1Very low123 Ų123151.5 Ų151.583%0.83185%0.848SS**  trans-112.3127.3172.2-73.20000109.5
841L30.2Very low28Very low181 Ų181151 Ų15195%0.94885%0.849SS**  trans-77.4144169.6-77.5160.6000110
842N28.4Very low28.1Very low168 Ų168152.7 Ų152.790%0.89885%0.848SS**  trans-73.9126.1178.7-78.3-34.2000111.9
843D27.8Very low28.2Very low170 Ų170155.5 Ų155.591%0.90984%0.844SS**  trans-151.4147.8133.2-131.3-21.6000108.6
844G28.6Very low28.7Very low63 Ų63157.1 Ų157.165%0.64984%0.842SS**  trans-124.7-164.9-169.800000114.3
845P35.5Very low29Very low138 Ų138153.8 Ų153.890%0.89683%0.831SS**  cis-132.1155.9-1139-24.2000114.4
846G25.5Very low29.4Very low71 Ų71154.1 Ų154.173%0.73283%0.828SS**  trans152.298.2157.200000118.5
847R28.1Very low30.3Very low261 Ų261155.9 Ų155.999%0.98582%0.822SS**  trans57.4129.1170.7-65.2-179.3170.7-170.1-3.4116.3
848G29.5Very low31Very low76 Ų76151.2 Ų151.278%0.78481%0.813SS**  cis151.7105.6-3.900000110.8
849E27.7Very low31.5Very low191 Ų191148 Ų14889%0.89381%0.812SS**  trans-129.5172.7-176.7-75.3-168.4131.800112.9
850L29.3Very low32.4Very low167 Ų167144.1 Ų144.187%0.87480%0.796SS**PPolyproline II helixtrans-67136.2-165.2-80.962.6000113.4
851C26.8Very low32.9Very low129 Ų129149 Ų14987%0.87280%0.798SS**PPolyproline II helixtrans-78.7131.2161.8-62.10000109.9
852I32.8Very low33.4Very low150 Ų150144.8 Ų144.877%0.76979%0.789SS**PPolyproline II helixtrans-91.1139.7165.8-65.5171.6000108.2
853L30.1Very low33.9Very low137 Ų137144.1 Ų144.172%0.71778%0.784SS**PPolyproline II helixtrans-78.3142.6-176-154.669.6000111D855L853-D855 WeakPolarHBondContact CD2-OD2 3.37Å; L853-D855 WeakPolarHBondContact CG-OD2 3.19Å
854W38.2Very low34.4Very low217 Ų217139.9 Ų139.982%0.82277%0.773SS**  trans-100.330.6-167.6-94.472.4000114.6
855D36.5Very low34.6Very low126 Ų126145.1 Ų145.167%0.67478%0.783SS**  trans-90.4-15.6-172-71.8-53.5000115.3L853 F857L853-D855 WeakPolarHBondContact CD2-OD2 3.37Å; L853-D855 WeakPolarHBondContact CG-OD2 3.19Å; D855-F857 PolarHBondContact O-N 3.44Å
856D35.4Very low34.3Very low137 Ų137145.6 Ų145.673%0.73378%0.778SS**SBendtrans-81.5-2.4-170.9-70.1-38.1000116P858D856-P858 WeakPolarHBondContact O-CD 3.28Å
857F42.8Very low34.5Very low143 Ų143150.1 Ų150.163%0.62779%0.785SS**  trans-12668.8-170-66.5-78.6000114.9D855 L859 L860D855-F857 PolarHBondContact O-N 3.44Å; F857-L859 VanDerWaalsContact C-N 3.27Å; F857-L859 PolarHBondContact O-N 3.4Å; F857-L860 HydrophobicContact CB-CD1 4.3Å; F857-L860 PolarHBondContact O-N 2.96Å
858P39.3Very low34.6Very low107 Ų107143.8 Ų143.870%0.69578%0.775SS**G310 helixtrans-62-27.7-176.523.8-34.1000114.6D856 L860D856-P858 WeakPolarHBondContact O-CD 3.28Å; P858-L860 VanDerWaalsContact C-N 3.35Å; P858-L860 PolarHBondContact O-N 2.81Å
859L36.7Very low34.7Very low163 Ų163151.4 Ų151.485%0.85378%0.78SS**G310 helixtrans-69.4-26.2-176.7-121.679.3000114.3F857 R861F857-L859 VanDerWaalsContact C-N 3.27Å; F857-L859 PolarHBondContact O-N 3.4Å; L859-R861 VanDerWaalsContact C-N 3.31Å; L859-R861 PolarHBondContact O-N 2.76Å
860L45Very low34.9Very low108 Ų108147.6 Ų147.657%0.56578%0.775SS**G310 helixtrans-81.7-10-176.1-71172.1000113.3F857 P858 A862F857-L860 HydrophobicContact CB-CD1 4.3Å; F857-L860 PolarHBondContact O-N 2.96Å; P858-L860 VanDerWaalsContact C-N 3.35Å; P858-L860 PolarHBondContact O-N 2.81Å; L860-A862 PolarHBondContact O-N 2.93Å
861R36.7Very low35.1Very low226 Ų226148.5 Ų148.585%0.85377%0.774SS**G310 helixtrans-70.6-14.4-177.2-148.5175.3-166.71647113.9L859L859-R861 VanDerWaalsContact C-N 3.31Å; L859-R861 PolarHBondContact O-N 2.76Å
862A40.4Very low35.7Very low92 Ų92152.6 Ų152.676%0.7680%0.796SS**G310 helixtrans-84.3-8.6-175.400000115.1L860L860-A862 PolarHBondContact O-N 2.93Å
863L38.7Very low35.8Very low155 Ų155152.7 Ų152.781%0.81280%0.797SS**G310 helixtrans-101.711.1-173.5-68172.3000114.3
864A39.9Very low36.1Very low81 Ų81153.5 Ų153.567%0.66980%0.801SS**  trans-120.549.9-164.900000115.2
865M31.1Very low36Very low173 Ų173150 Ų15085%0.85280%0.8SS**  trans-150111.9161.1-79.8-158177.400112.9
866N30.1Very low36Very low148 Ų148151.4 Ų151.479%0.79181%0.807SS**  159103.1122.7-83.6-25.3000111.1
867D28.5Very low36Very low165 Ų165152.3 Ų152.388%0.88281%0.812SS**  trans-142.485.2162-154-4.3000108.8R869D867-R869 PolarHBondContact O-N 3.29Å
868V31.3Very low35.5Very low128 Ų128152.9 Ų152.978%0.77682%0.824SS**  trans-92.6103.4-172.8177.70000109.5S870V868-S870 PolarHBondContact O-N 2.76Å
869R31.3Very low35.3Very low236 Ų236156.2 Ų156.289%0.89183%0.834SS**  trans-82.5100.8-177.6-157.1-178.2-1471708.1111.3D867D867-R869 PolarHBondContact O-N 3.29Å
870S31.6Very low35.2Very low112 Ų112155.7 Ų155.778%0.78383%0.832SS**  trans-69.6137.4172.848.90000111.9V868V868-S870 PolarHBondContact O-N 2.76Å
871Q34.7Very low34.3Very low185 Ų185159.7 Ų159.786%0.86485%0.854SS**  trans-110.6114.4171.9-72.7-177.2-24.400110.4
872T37.8Very low34.1Very low215 Ų215153.6 Ų153.6100%1.31986%0.855SS**  trans-157.30149.249.80000108

Retrieved 872 of 872 residues in 522.3 ms (Link to these results)