A0A3Q0KKF6_SCHMA Loading...

Putative wd-repeat protein

AlphaFold DB , UniProt , Accession A0A3Q0KKF6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 704 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M61.8Low79.3Confident93 Ų9366.1 Ų66.146%0.45834%0.342SS..  0143.70-62.6171.2174.500106.3H3 P19 I642 K644 L665M1-H3 PolarHBondContact O-N 2.97Å; M1-P19 HydrophobicContact SD-CG 4.38Å; M1-I642 WeakPolarHBondContact CB-O 3.11Å; M1-I642 WeakPolarHBondContact CG-O 3.46Å; M1-I642 VanDerWaalsContact SD-O 3.42Å; M1-K644 HydrophobicContact CE-CB 4.06Å; M1-K644 HydrophobicContact CE-CD 3.81Å; M1-K644 HydrophobicContact CE-CG 3.57Å; M1-L665 HydrophobicContact CE-CD2 4.47Å
2S62.3Low80Confident33 Ų3360.7 Ų60.723%0.23131%0.314CS..  trans-83113.9177.767.40000110.3S4 T640S2-S4 VanDerWaalsContact CB-O 3.32Å; S2-S4 WeakPolarHBondContact CB-O 3.02Å; S2-S4 PolarHBondContact O-N 3.45Å; S2-S4 PolarHBondContact OG-O 3.02Å; S2-T640 PolarHBondContact OG-OG1 2.83Å
3H74.7Confident80.3Confident98 Ų9865 Ų6545%0.45433%0.332SS..SBendtrans-71.7-6.1175.2-60.8-81.4000113M1 S14 S17M1-H3 PolarHBondContact O-N 2.97Å; H3-S14 WeakPolarHBondContact O-CB 3.4Å; H3-S14 PolarHBondContact O-N 3.48Å; H3-S17 PolarHBondContact CE1-O 2.85Å; H3-S17 PolarHBondContact ND1-O 3.04Å
4S83.4Confident80.3Confident27 Ų2761.9 Ų61.919%0.18932%0.319CS..EExtended strand (participates in β ladder)trans-152.8159.1172.459.70000109.7S2 R11 Y12S2-S4 VanDerWaalsContact CB-O 3.32Å; S2-S4 WeakPolarHBondContact CB-O 3.02Å; S2-S4 PolarHBondContact O-N 3.45Å; S2-S4 PolarHBondContact OG-O 3.02Å; S4-R11 PolarHBondContact OG-NE 3.27Å; S4-R11 VanDerWaalsContact OG-NE 3.14Å; S4-R11 PolarHBondContact OG-NH2 3.32Å; S4-Y12 WeakPolarHBondContact CA-O 3.02Å; S4-Y12 WeakPolarHBondContact CB-O 3.46Å
5F85.5Confident79.4Confident12 Ų1263.4 Ų63.45%0.05332%0.322CS..EExtended strand (participates in β ladder)trans-144.8155.5165.354.2-93.4000108.7Y12 L429 L431 V638 T640 I657 W669F5-Y12 AromaticContact CD2-CD2 3.86Å; F5-Y12 HydrophobicContact CD2-CD2 3.86Å; F5-Y12 HydrophobicContact CD2-CG 4.02Å; F5-Y12 HydrophobicContact CE1-CG 4.45Å; F5-Y12 AromaticContact CE2-CD1 3.96Å; F5-Y12 HydrophobicContact CE2-CD1 3.96Å; F5-Y12 AromaticContact CE2-CD2 3.38Å; F5-Y12 HydrophobicContact CE2-CD2 3.38Å; F5-Y12 HydrophobicContact CE2-CE2 4.04Å; F5-Y12 AromaticContact CE2-CG 3.34Å; F5-Y12 HydrophobicContact CE2-CG 3.34Å; F5-Y12 AromaticContact CZ-CD1 3.88Å; F5-Y12 HydrophobicContact CZ-CD1 3.88Å; F5-Y12 HydrophobicContact CZ-CD2 4.14Å; F5-Y12 AromaticContact CZ-CG 3.6Å; F5-Y12 HydrophobicContact CZ-CG 3.6Å; F5-Y12 PolarHBondContact N-O 2.81Å; F5-Y12 WeakPolarHBondContact O-CB 3.5Å; F5-Y12 PolarHBondContact O-N 3Å; F5-L429 HydrophobicContact CE1-CD2 3.86Å; F5-L429 HydrophobicContact CZ-CD2 3.82Å; F5-L431 HydrophobicContact CD2-CD1 4.48Å; F5-L431 HydrophobicContact CE2-CD1 3.8Å; F5-V638 HydrophobicContact CB-CG1 4.1Å; F5-V638 HydrophobicContact CD2-CG1 3.94Å; F5-V638 HydrophobicContact CD2-CG2 4.41Å; F5-V638 HydrophobicContact CG-CG1 4.16Å; F5-T640 HydrophobicContact CB-CG2 4.29Å; F5-T640 HydrophobicContact CD1-CG2 4.33Å; F5-T640 HydrophobicContact CG-CG2 4.43Å; F5-I657 HydrophobicContact CZ-CD1 4.25Å; F5-W669 HydrophobicContact CE1-CB 4.45Å; F5-W669 AromaticContact CE1-CD1 3.75Å; F5-W669 AromaticContact CE1-CD2 3.92Å; F5-W669 HydrophobicContact CE1-CD2 3.92Å; F5-W669 AromaticContact CE1-CE2 3.96Å; F5-W669 AromaticContact CE1-CG 3.81Å; F5-W669 HydrophobicContact CE1-CG 3.81Å; F5-W669 AromaticContact CE1-NE1 3.85Å; F5-W669 HydrophobicContact CZ-CG 4.46Å
6D84.9Confident77.9Confident102 Ų10263 Ų6355%0.54532%0.324SS..EExtended strand (participates in β ladder)trans-103.8141-179-55.7-65.1000109.6R11 V638D6-R11 WeakPolarHBondContact OD1-CB 3.08Å; D6-R11 VanDerWaalsContact OD1-CD 3.26Å; D6-R11 WeakPolarHBondContact OD1-CD 3.25Å; D6-R11 WeakPolarHBondContact OD1-CG 3.42Å; D6-V638 VanDerWaalsContact O-CG2 3.22Å; D6-V638 WeakPolarHBondContact O-CG2 3.4Å
7A84.1Confident76.2Confident16 Ų1665.4 Ų65.413%0.13235%0.348CS..EExtended strand (participates in β ladder)trans-132.2-178.117000000109.2E9 G10 Y12 L637 V638A7-E9 VanDerWaalsContact C-N 3.29Å; A7-E9 WeakPolarHBondContact CB-OE2 3.35Å; A7-E9 PolarHBondContact O-N 3.19Å; A7-G10 PolarHBondContact N-O 3.15Å; A7-G10 WeakPolarHBondContact O-CA 3.35Å; A7-G10 PolarHBondContact O-N 3.37Å; A7-Y12 HydrophobicContact CB-CD2 4.3Å; A7-Y12 HydrophobicContact CB-CE2 3.87Å; A7-L637 HydrophobicContact CB-CD2 4.22Å; A7-V638 HydrophobicContact CB-CG2 4.2Å
8I80.5Confident74.4Confident127 Ų12770.4 Ų70.465%0.65137%0.369SS*.THydrogen-bonded Turntrans-60.2-40.2-176.3-68.7166.1000111.6G10 D433 L637I8-G10 PolarHBondContact O-N 3.43Å; I8-D433 WeakPolarHBondContact CD1-OD2 3.33Å; I8-L637 HydrophobicContact CD1-CD1 3.95Å; I8-L637 HydrophobicContact CD1-CD2 3.86Å; I8-L637 HydrophobicContact CG1-CD1 3.95Å; I8-L637 HydrophobicContact CG1-CD2 3.88Å
9E82.9Confident73.1Confident58 Ų5868.6 Ų68.627%0.27136%0.361SS..THydrogen-bonded Turntrans-71.9-7.517664.5-88.6-153.100113.9A7 Y12 L367 R419 P672A7-E9 VanDerWaalsContact C-N 3.29Å; A7-E9 WeakPolarHBondContact CB-OE2 3.35Å; A7-E9 PolarHBondContact O-N 3.19Å; E9-Y12 HydrophobicContact CG-CE2 4.03Å; E9-Y12 WeakPolarHBondContact OE1-CE2 3.49Å; E9-Y12 VanDerWaalsContact OE1-CZ 3.29Å; E9-Y12 PolarHBondContact OE1-OH 3.17Å; E9-L367 HydrophobicContact CG-CD1 4.35Å; E9-L367 WeakPolarHBondContact OE1-CD1 3.43Å; E9-R419 IonicContact OE1-CZ 2.9Å; E9-R419 IonicContact OE1-NH1 3.48Å; E9-R419 PolarHBondContact OE1-NH1 3.1Å; E9-R419 IonicContact OE2-CZ 3.86Å; E9-R419 IonicContact OE2-NH1 2.75Å; E9-R419 PolarHBondContact OE2-NH1 3.17Å; E9-R419 IonicContact OE2-NH2 3.26Å; E9-R419 PolarHBondContact OE2-NH2 3.29Å; E9-P672 HydrophobicContact CG-CG 4.04Å; E9-P672 WeakPolarHBondContact O-CB 3.02Å; E9-P672 WeakPolarHBondContact O-CG 3.07Å
10G85.6Confident71.9Confident26 Ų2668.5 Ų68.527%0.26837%0.366SS..EExtended strand (participates in β ladder)trans119.6-160.3177.200000114.5A7 I8A7-G10 PolarHBondContact N-O 3.15Å; A7-G10 WeakPolarHBondContact O-CA 3.35Å; A7-G10 PolarHBondContact O-N 3.37Å; I8-G10 PolarHBondContact O-N 3.43Å
11R86.3Confident70.8Confident135 Ų13569.7 Ų69.751%0.50938%0.376SS..EExtended strand (participates in β ladder)trans-89.8117-171.5-171.9163179.9177.80.3113.7S4 D6 Q13S4-R11 PolarHBondContact OG-NE 3.27Å; S4-R11 VanDerWaalsContact OG-NE 3.14Å; S4-R11 PolarHBondContact OG-NH2 3.32Å; D6-R11 WeakPolarHBondContact OD1-CB 3.08Å; D6-R11 VanDerWaalsContact OD1-CD 3.26Å; D6-R11 WeakPolarHBondContact OD1-CD 3.25Å; D6-R11 WeakPolarHBondContact OD1-CG 3.42Å; R11-Q13 HydrophobicContact CG-CG 4.3Å
12Y87.8Confident70.2Confident1 Ų166.9 Ų66.90%0.00436%0.362CS..EExtended strand (participates in β ladder)trans-74.9133.4167.8-73.8-100.7000110.7S4 F5 A7 E9 I657 W669 Q670 R671 P672S4-Y12 WeakPolarHBondContact CA-O 3.02Å; S4-Y12 WeakPolarHBondContact CB-O 3.46Å; F5-Y12 AromaticContact CD2-CD2 3.86Å; F5-Y12 HydrophobicContact CD2-CD2 3.86Å; F5-Y12 HydrophobicContact CD2-CG 4.02Å; F5-Y12 HydrophobicContact CE1-CG 4.45Å; F5-Y12 AromaticContact CE2-CD1 3.96Å; F5-Y12 HydrophobicContact CE2-CD1 3.96Å; F5-Y12 AromaticContact CE2-CD2 3.38Å; F5-Y12 HydrophobicContact CE2-CD2 3.38Å; F5-Y12 HydrophobicContact CE2-CE2 4.04Å; F5-Y12 AromaticContact CE2-CG 3.34Å; F5-Y12 HydrophobicContact CE2-CG 3.34Å; F5-Y12 AromaticContact CZ-CD1 3.88Å; F5-Y12 HydrophobicContact CZ-CD1 3.88Å; F5-Y12 HydrophobicContact CZ-CD2 4.14Å; F5-Y12 AromaticContact CZ-CG 3.6Å; F5-Y12 HydrophobicContact CZ-CG 3.6Å; F5-Y12 PolarHBondContact N-O 2.81Å; F5-Y12 WeakPolarHBondContact O-CB 3.5Å; F5-Y12 PolarHBondContact O-N 3Å; A7-Y12 HydrophobicContact CB-CD2 4.3Å; A7-Y12 HydrophobicContact CB-CE2 3.87Å; E9-Y12 HydrophobicContact CG-CE2 4.03Å; E9-Y12 WeakPolarHBondContact OE1-CE2 3.49Å; E9-Y12 VanDerWaalsContact OE1-CZ 3.29Å; E9-Y12 PolarHBondContact OE1-OH 3.17Å; Y12-I657 HydrophobicContact CD1-CD1 3.78Å; Y12-I657 HydrophobicContact CD1-CG1 4.25Å; Y12-I657 HydrophobicContact CE1-CD1 3.24Å; Y12-I657 HydrophobicContact CE1-CG1 3.77Å; Y12-W669 HydrophobicContact CD1-CB 4.36Å; Y12-Q670 WeakPolarHBondContact CA-O 3.26Å; Y12-R671 HydrophobicContact CD1-CG 4.32Å; Y12-R671 HydrophobicContact CE1-CB 4.14Å; Y12-R671 HydrophobicContact CE1-CG 3.49Å; Y12-R671 VanDerWaalsContact CE1-CG 3.49Å; Y12-P672 HydrophobicContact CD2-CG 4.37Å; Y12-P672 HydrophobicContact CE2-CG 4.32Å
13Q83.8Confident69.1Low117 Ų11772.8 Ų72.855%0.54739%0.386SS..EExtended strand (participates in β ladder)trans-123.5129.4-178.2-60.4-171.819.700111.1R11 F15 W669 Q670R11-Q13 HydrophobicContact CG-CG 4.3Å; Q13-F15 PolarHBondContact O-N 2.97Å; Q13-W669 CarbonylContact O-C 3.49Å; Q13-W669 VanDerWaalsContact O-CA 3.29Å; Q13-W669 WeakPolarHBondContact O-CA 3.45Å; Q13-Q670 PolarHBondContact N-O 2.85Å; Q13-Q670 VanDerWaalsContact N-O 3.15Å; Q13-Q670 PolarHBondContact O-N 2.82Å
14S79.9Confident67.2Low22 Ų2276.7 Ų76.715%0.15440%0.402CS..EExtended strand (participates in β ladder)trans-63.1133.4173.9-179.10000110.1H3 T16 A668H3-S14 WeakPolarHBondContact O-CB 3.4Å; H3-S14 PolarHBondContact O-N 3.48Å; S14-T16 WeakPolarHBondContact CB-O 3.31Å; S14-T16 PolarHBondContact O-N 3.36Å; S14-T16 VanDerWaalsContact O-N 3.14Å; S14-T16 PolarHBondContact OG-N 2.98Å; S14-T16 PolarHBondContact OG-O 2.71Å; S14-A668 WeakPolarHBondContact CA-O 3.47Å
15F66.7Low64.9Low84 Ų8484.6 Ų84.637%0.36844%0.436SS..SBendtrans-62.3-19.8174.2-75.6-78.6000112.9Q13 T656 A668 Q670Q13-F15 PolarHBondContact O-N 2.97Å; F15-T656 HydrophobicContact CE2-CG2 3.39Å; F15-T656 HydrophobicContact CZ-CG2 3.53Å; F15-A668 HydrophobicContact CD2-CB 3.74Å; F15-A668 WeakPolarHBondContact CD2-O 3.44Å; F15-A668 HydrophobicContact CE2-CB 4.33Å; F15-A668 PolarHBondContact N-O 3.35Å; F15-Q670 HydrophobicContact CE1-CB 4.02Å; F15-Q670 HydrophobicContact CE1-CG 4.23Å; F15-Q670 HydrophobicContact CE2-CB 3.83Å; F15-Q670 HydrophobicContact CZ-CB 3.52Å; F15-Q670 HydrophobicContact CZ-CG 3.79Å
16T56.6Low62.6Low57 Ų5787.1 Ų87.135%0.3545%0.449SS..  trans-133.2140.1-17765.20000112.2S14 E18S14-T16 WeakPolarHBondContact CB-O 3.31Å; S14-T16 PolarHBondContact O-N 3.36Å; S14-T16 VanDerWaalsContact O-N 3.14Å; S14-T16 PolarHBondContact OG-N 2.98Å; S14-T16 PolarHBondContact OG-O 2.71Å; T16-E18 VanDerWaalsContact C-N 3.35Å; T16-E18 WeakPolarHBondContact CB-O 3.25Å; T16-E18 PolarHBondContact OG1-O 3.13Å
17S47.9Very low60.3Low104 Ų10488.7 Ų88.773%0.72745%0.453SS*.SBendtrans-73.4-27.5169.449.20000112.1H3H3-S17 PolarHBondContact CE1-O 2.85Å; H3-S17 PolarHBondContact ND1-O 3.04Å
18E43.8Very low58.1Low156 Ų15691 Ų9173%0.72946%0.462SS*.SBendtrans-113.1136.9167.8-60.6-155.2153.100110.1T16T16-E18 VanDerWaalsContact C-N 3.35Å; T16-E18 WeakPolarHBondContact CB-O 3.25Å; T16-E18 PolarHBondContact OG1-O 3.13Å
19P49.5Very low56Low35 Ų3592.7 Ų92.723%0.22747%0.472CS..  trans-52.1145.2175.1-25.934.6000111.7M1 V21 L665 L667M1-P19 HydrophobicContact SD-CG 4.38Å; P19-V21 PolarHBondContact O-N 3.04Å; P19-L665 HydrophobicContact CB-CD1 3.5Å; P19-L665 HydrophobicContact CB-CD2 4.05Å; P19-L665 HydrophobicContact CB-CG 3.88Å; P19-L665 HydrophobicContact CG-CD1 4.47Å; P19-L665 HydrophobicContact CG-CD2 4.25Å; P19-L667 HydrophobicContact CB-CD2 3.79Å; P19-L667 HydrophobicContact CG-CD2 4.09Å
20C49.5Very low53.6Low67 Ų6796.9 Ų96.945%0.45349%0.492SS..BIsolated β-bridgetrans-7284.7170.5-167.10000108.5L22C20-L22 PolarHBondContact O-N 3.33Å
21V48.8Very low51.2Low94 Ų94101.3 Ų101.357%0.5750%0.504SS*.  trans-68.7102.6171.7-178.50000106.6P19 E23 L665P19-V21 PolarHBondContact O-N 3.04Å; V21-E23 WeakPolarHBondContact O-CA 3.45Å; V21-E23 PolarHBondContact O-N 2.78Å; V21-L665 HydrophobicContact CB-CD1 4.33Å; V21-L665 HydrophobicContact CG2-CD1 3.68Å
22L50.1Low48.5Very low33 Ų3398.7 Ų98.717%0.17352%0.519CS..  trans-46.1114.5165-114.3166.1000108.6C20 I67 R74 Y76C20-L22 PolarHBondContact O-N 3.33Å; L22-I67 HydrophobicContact CD1-CD1 4.04Å; L22-I67 HydrophobicContact CD1-CG2 4.28Å; L22-R74 VanDerWaalsContact CD2-NH1 3.31Å; L22-Y76 WeakPolarHBondContact CD2-OH 3.23Å; L22-Y76 VanDerWaalsContact CG-OH 3.23Å; L22-Y76 WeakPolarHBondContact CG-OH 3.38Å
23E39.4Very low45.8Very low157 Ų157103.8 Ų103.873%0.73455%0.55SS**  trans-58.9154.2-150.4-81.7-163.8112.500115.8V21V21-E23 WeakPolarHBondContact O-CA 3.45Å; V21-E23 PolarHBondContact O-N 2.78Å
24K34.5Very low43.9Very low180 Ų180101.1 Ų101.178%0.78355%0.554SS**SBendtrans-21.4139.9176.4-66.1161.7-179.8160.10116.1
25Q35.6Very low43.2Very low193 Ų193106 Ų10690%0.90258%0.579SS**  trans80.355.6170.2-55.3-175.7-68.300117.7
26I36.9Very low43.8Very low66 Ų66103.4 Ų103.434%0.33857%0.573SS.*  trans-117.2103.8133.4-58.3-175.5000108.2M28 V69I26-M28 VanDerWaalsContact C-N 3.31Å; I26-M28 HydrophobicContact CG2-CG 4.29Å; I26-M28 PolarHBondContact O-N 3.33Å; I26-V69 HydrophobicContact CD1-CG1 4.42Å
27Q35.4Very low45.3Very low134 Ų134101.9 Ų101.963%0.62657%0.566SS**  trans-67.895.5160-78.6-174.6-14.200107.1N29 Q30Q27-N29 PolarHBondContact O-N 2.93Å; Q27-Q30 HydrophobicContact CB-CG 4.24Å; Q27-Q30 PolarHBondContact O-N 2.99Å
28M39.3Very low47.4Very low64 Ų6497.2 Ų97.232%0.31553%0.532SS..G310 helixtrans-55.1-23.3179.1-67.9-134.1-175.400112.8I26 Q30 F31 I38 V69 Q663I26-M28 VanDerWaalsContact C-N 3.31Å; I26-M28 HydrophobicContact CG2-CG 4.29Å; I26-M28 PolarHBondContact O-N 3.33Å; M28-Q30 PolarHBondContact O-N 3.47Å; M28-Q30 VanDerWaalsContact O-N 3.16Å; M28-F31 PolarHBondContact O-N 2.8Å; M28-I38 HydrophobicContact CE-CD1 4.34Å; M28-V69 HydrophobicContact CE-CG1 3.67Å; M28-Q663 VanDerWaalsContact CE-O 3.31Å; M28-Q663 WeakPolarHBondContact CE-O 3.28Å
29N34.6Very low49.9Very low163 Ų16392 Ų9287%0.87251%0.506SS*.G310 helixtrans-63.5-10.6173.2-67.3-6.4000115.4Q27Q27-N29 PolarHBondContact O-N 2.93Å
30Q33.8Very low52Low146 Ų14690.9 Ų90.968%0.68250%0.498SS*.G310 helixtrans-89.9-17.3178.7-70.4-166.27.500114.4Q27 M28 G32Q27-Q30 HydrophobicContact CB-CG 4.24Å; Q27-Q30 PolarHBondContact O-N 2.99Å; M28-Q30 PolarHBondContact O-N 3.47Å; M28-Q30 VanDerWaalsContact O-N 3.16Å; Q30-G32 PolarHBondContact O-N 2.91Å
31F33.8Very low54.1Low119 Ų11988.3 Ų88.352%0.52248%0.481SS..  trans-99.484.2171.9-64.9-71000109.6M28 V33M28-F31 PolarHBondContact O-N 2.8Å; F31-V33 PolarHBondContact O-N 3.49Å
32G31.6Very low56Low80 Ų8085.6 Ų85.683%0.82546%0.462SS*.  trans-70.352.7175.100000113.7Q30Q30-G32 PolarHBondContact O-N 2.91Å
33V30Very low57.8Low109 Ų10984.9 Ų84.966%0.66146%0.458SS*.SBendtrans-150.3118.4-177.4-176.30000110.7F31F31-V33 PolarHBondContact O-N 3.49Å
34G44.6Very low59.5Low61 Ų6180.4 Ų80.463%0.62944%0.437SS*.  trans69.8102.4156.400000117.2A36G34-A36 PolarHBondContact O-N 3.16Å
35N64.5Low61Low125 Ų12578.5 Ų78.567%0.66843%0.426SS*.  trans-73.548.6179.8-164.255.6000113.5Q662N35-Q662 PolarHBondContact OD1-NE2 3.31Å; N35-Q662 VanDerWaalsContact OD1-NE2 3.15Å
36A79.7Confident62.2Low29 Ų2969.8 Ų69.824%0.2439%0.385CS..PPolyproline II helixtrans-64.3140.9-177.600000111.8G34 P102G34-A36 PolarHBondContact O-N 3.16Å; A36-P102 HydrophobicContact CB-CB 4.33Å
37A87.7Confident62.8Low25 Ų2570.7 Ų70.721%0.20740%0.396CS..PPolyproline II helixtrans-71.8140.3178.800000111.2N68 T648A37-N68 PolarHBondContact O-ND2 3.46Å; A37-T648 HydrophobicContact CB-CG2 4.45Å
38I92.9Very high63.5Low5 Ų570.7 Ų70.73%0.02639%0.394CS..PPolyproline II helixtrans-78.9126.1168.4-64.7-176.9000107.6M28 I67 N68 V69 T648 V660 Q662 G664M28-I38 HydrophobicContact CE-CD1 4.34Å; I38-I67 HydrophobicContact CG2-CD1 3.89Å; I38-I67 HydrophobicContact CG2-CG1 3.68Å; I38-N68 WeakPolarHBondContact CG1-O 3.37Å; I38-N68 WeakPolarHBondContact CG2-O 3.47Å; I38-V69 HydrophobicContact CD1-CG2 4.45Å; I38-T648 VanDerWaalsContact O-CB 3.22Å; I38-T648 WeakPolarHBondContact O-CB 3.21Å; I38-T648 PolarHBondContact O-OG1 2.9Å; I38-V660 HydrophobicContact CG2-CB 4.37Å; I38-V660 HydrophobicContact CG2-CG1 3.85Å; I38-V660 HydrophobicContact CG2-CG2 3.57Å; I38-Q662 WeakPolarHBondContact CD1-O 3.43Å; I38-G664 VanDerWaalsContact CD1-N 3.33Å
39R94.5Very high63.8Low47 Ų4772.9 Ų72.918%0.17741%0.407CS..  trans-120.4157.3-177.7-57.2-58-165.4-177.810.9110.1N68 H106 T648 D649R39-N68 PolarHBondContact N-OD1 2.67Å; R39-N68 PolarHBondContact O-OD1 2.71Å; R39-H106 PolarHBondContact O-CE1 2.91Å; R39-T648 PolarHBondContact NH1-O 2.9Å; R39-D649 WeakPolarHBondContact CA-OD2 3.31Å
40L93.7Very high64.2Low11 Ų1173 Ų736%0.05840%0.402CS..EExtended strand (participates in β ladder)trans-115.2143.9173.7-62174.3000110.1F42 C66 I67 D649 V651 H658 V660 F666L40-F42 HydrophobicContact CB-CD2 4.49Å; L40-F42 HydrophobicContact CB-CE2 3.89Å; L40-F42 HydrophobicContact CD1-CE2 4.22Å; L40-C66 WeakPolarHBondContact CA-O 3.34Å; L40-I67 HydrophobicContact CD2-CB 3.9Å; L40-I67 HydrophobicContact CD2-CD1 4.14Å; L40-I67 HydrophobicContact CD2-CG1 3.97Å; L40-D649 PolarHBondContact N-OD2 3.4Å; L40-V651 HydrophobicContact CB-CG2 3.99Å; L40-V651 HydrophobicContact CD1-CG2 4.42Å; L40-H658 HydrophobicContact CD1-CB 4.15Å; L40-V660 HydrophobicContact CD1-CB 4.24Å; L40-V660 HydrophobicContact CD1-CG1 4.18Å; L40-V660 HydrophobicContact CD2-CB 4.41Å; L40-V660 HydrophobicContact CD2-CG1 4.38Å; L40-V660 HydrophobicContact CG-CB 4.31Å; L40-V660 HydrophobicContact CG-CG1 3.94Å; L40-F666 HydrophobicContact CD1-CD2 4.17Å; L40-F666 HydrophobicContact CD1-CE2 4.01Å; L40-F666 HydrophobicContact CD2-CD2 4.12Å; L40-F666 HydrophobicContact CD2-CE2 4.17Å
41S93.6Very high64.3Low13 Ų1371.7 Ų71.79%0.09140%0.404CS..EExtended strand (participates in β ladder)trans-134.3139167.1-780000109.7F65 C66 H106S41-F65 CarbonylContact O-C 3.58Å; S41-F65 WeakPolarHBondContact O-CA 3.36Å; S41-C66 PolarHBondContact N-O 3.44Å; S41-C66 PolarHBondContact O-N 3Å; S41-H106 VanDerWaalsContact CB-CD2 3.43Å; S41-H106 WeakPolarHBondContact CB-CD2 3.35Å; S41-H106 PolarHBondContact OG-CD2 3.47Å; S41-H106 PolarHBondContact OG-O 2.71Å; S41-H106 VanDerWaalsContact OG-O 3.06Å
42F90Very high64.1Low38 Ų3871.6 Ų71.617%0.16742%0.418CS..EExtended strand (participates in β ladder)trans-123.4143.4179.9-69.2-98000110.4L40 I64 F65 F108 V651 H658L40-F42 HydrophobicContact CB-CD2 4.49Å; L40-F42 HydrophobicContact CB-CE2 3.89Å; L40-F42 HydrophobicContact CD1-CE2 4.22Å; F42-I64 WeakPolarHBondContact CA-O 3.36Å; F42-F65 HydrophobicContact CD1-CB 3.34Å; F42-F65 HydrophobicContact CD1-CG 4.32Å; F42-F65 HydrophobicContact CD2-CB 4.47Å; F42-F65 HydrophobicContact CE1-CB 3.35Å; F42-F65 HydrophobicContact CE1-CD1 4.25Å; F42-F65 AromaticContact CE1-CG 3.85Å; F42-F65 HydrophobicContact CE1-CG 3.85Å; F42-F65 HydrophobicContact CE2-CB 4.49Å; F42-F65 HydrophobicContact CG-CB 3.95Å; F42-F65 HydrophobicContact CZ-CB 3.97Å; F42-F65 HydrophobicContact CZ-CG 4.27Å; F42-F108 VanDerWaalsContact C-CD2 3.44Å; F42-F108 WeakPolarHBondContact O-CD2 3.4Å; F42-V651 HydrophobicContact CD2-CB 4.2Å; F42-V651 HydrophobicContact CD2-CG1 3.73Å; F42-V651 HydrophobicContact CD2-CG2 4.19Å; F42-V651 HydrophobicContact CE2-CB 3.87Å; F42-V651 HydrophobicContact CE2-CG1 3.87Å; F42-V651 HydrophobicContact CE2-CG2 3.95Å; F42-H658 HydrophobicContact CE2-CB 4.29Å; F42-H658 HydrophobicContact CZ-CB 3.9Å; F42-H658 AromaticContact CZ-CD2 3.77Å; F42-H658 AromaticContact CZ-CG 3.64Å
43L87.1Confident64.1Low17 Ų1776.7 Ų76.79%0.08942%0.42CS..EExtended strand (participates in β ladder)trans-125.2109.9167.6-178.362.9000107.6S63 I64 F108L43-S63 CarbonylContact O-C 3.59Å; L43-S63 WeakPolarHBondContact O-CA 3.38Å; L43-S63 WeakPolarHBondContact O-CB 3.47Å; L43-I64 HydrophobicContact CB-CB 4.45Å; L43-I64 PolarHBondContact N-O 3.05Å; L43-I64 PolarHBondContact O-N 2.93Å; L43-F108 HydrophobicContact CB-CB 4.44Å; L43-F108 HydrophobicContact CB-CD1 3.91Å; L43-F108 HydrophobicContact CB-CD2 3.86Å; L43-F108 HydrophobicContact CB-CE1 4.03Å; L43-F108 HydrophobicContact CB-CE2 4.02Å; L43-F108 HydrophobicContact CB-CG 3.82Å; L43-F108 HydrophobicContact CB-CZ 4.1Å; L43-F108 HydrophobicContact CD2-CD1 3.98Å; L43-F108 HydrophobicContact CD2-CE1 4.1Å; L43-F108 HydrophobicContact CG-CD1 4.42Å
44E75.7Confident64.1Low64 Ų6481.5 Ų81.530%0.29943%0.433SS..EExtended strand (participates in β ladder)trans-85.7136.3169.7-52.3-163137.700108.2R653E44-R653 IonicContact OE1-CZ 2.65Å; E44-R653 IonicContact OE1-NE 3.7Å; E44-R653 PolarHBondContact OE1-NE 3.24Å; E44-R653 IonicContact OE1-NH2 3.33Å; E44-R653 PolarHBondContact OE1-NH2 2.91Å
45Y66.3Low63.4Low139 Ų13985.8 Ų85.855%0.54544%0.436SS..EExtended strand (participates in β ladder)trans65.789.2-179.8-46.5-88.4000114.4D61 G62Y45-D61 HydrophobicContact CD1-CB 3.55Å; Y45-D61 HydrophobicContact CE1-CB 4.44Å; Y45-D61 HydrophobicContact CG-CB 4.28Å; Y45-G62 WeakPolarHBondContact CA-O 3.36Å; Y45-G62 PolarHBondContact N-O 3.35Å; Y45-G62 VanDerWaalsContact N-O 3.14Å
46Y60.7Low61.7Low10 Ų1084.9 Ų84.94%0.03945%0.446CS..EExtended strand (participates in β ladder)trans-117.7137.4171.974-87.3000111.9K48 G62 I64 L135Y46-K48 HydrophobicContact CE2-CB 4.45Å; Y46-K48 HydrophobicContact CE2-CG 4.31Å; Y46-G62 VanDerWaalsContact CD1-C 3.42Å; Y46-G62 VanDerWaalsContact CD1-O 3.28Å; Y46-G62 WeakPolarHBondContact CD1-O 3.37Å; Y46-G62 VanDerWaalsContact CE1-CA 3.44Å; Y46-G62 PolarHBondContact N-O 2.68Å; Y46-I64 HydrophobicContact CD1-CD1 3.83Å; Y46-I64 HydrophobicContact CD1-CG1 3.46Å; Y46-I64 VanDerWaalsContact CD1-CG1 3.46Å; Y46-I64 HydrophobicContact CD2-CD1 4.01Å; Y46-I64 HydrophobicContact CD2-CG1 4.42Å; Y46-I64 HydrophobicContact CE1-CD1 4.11Å; Y46-I64 HydrophobicContact CE1-CG1 3.46Å; Y46-I64 VanDerWaalsContact CE1-CG1 3.46Å; Y46-I64 HydrophobicContact CE2-CD1 4.3Å; Y46-I64 HydrophobicContact CE2-CG1 4.44Å; Y46-I64 HydrophobicContact CG-CD1 3.74Å; Y46-I64 HydrophobicContact CG-CG1 3.94Å; Y46-L135 HydrophobicContact CD2-CD1 3.47Å; Y46-L135 VanDerWaalsContact CD2-CD1 3.47Å; Y46-L135 HydrophobicContact CE2-CD1 3.86Å; Y46-L135 HydrophobicContact CE2-CD2 4.28Å; Y46-L135 HydrophobicContact CG-CD1 4.33Å
47C49.3Very low59.3Low85 Ų8588.2 Ų88.257%0.57446%0.46SS*.  trans-85.9126.8178.1-164.30000110.5
48K49.5Very low56.8Low135 Ų13593.5 Ų93.559%0.58749%0.49SS*.  trans-91.6-11.4-174.7-151.6176.5-176.1-173.90114.2Y46 E79Y46-K48 HydrophobicContact CE2-CB 4.45Å; Y46-K48 HydrophobicContact CE2-CG 4.31Å; K48-E79 IonicContact NZ-OE1 3.5Å; K48-E79 PolarHBondContact NZ-OE1 2.62Å
49N47.2Very low54.2Low110 Ų11097.5 Ų97.559%0.58852%0.518SS*.  trans-122.3112.5-168.4-69.8-10.6000113.4T51N49-T51 PolarHBondContact O-N 3.4Å
50E41Very low52Low166 Ų166101.7 Ų101.778%0.77654%0.543SS*.  trans-92.375.6156.6-75.9-179.817000109.8K136E50-K136 IonicContact OE1-NZ 2.75Å; E50-K136 PolarHBondContact OE1-NZ 3.02Å; E50-K136 IonicContact OE2-NZ 3.62Å; E50-K136 PolarHBondContact OE2-NZ 3.4Å
51T36.2Very low50.3Low118 Ų118104 Ų10472%0.72456%0.555SS**  trans-110.5111.9163.124.50000109.6N49 H53N49-T51 PolarHBondContact O-N 3.4Å; T51-H53 VanDerWaalsContact C-N 3.28Å; T51-H53 PolarHBondContact O-N 3.46Å
52S30.5Very low49Very low117 Ų117103.9 Ų103.982%0.81856%0.555SS**  trans-74.772-176.959.40000112.4
53H32.3Very low48.4Very low186 Ų186102.2 Ų102.286%0.86155%0.548SS*.SBendtrans-153.2142.1159.5-107.9-77.8000111.6T51 Q55T51-H53 VanDerWaalsContact C-N 3.28Å; T51-H53 PolarHBondContact O-N 3.46Å; H53-Q55 PolarHBondContact O-N 3.14Å; H53-Q55 VanDerWaalsContact O-N 3.12Å
54F30.1Very low48.3Very low210 Ų210101.4 Ų101.492%0.92154%0.544SS*.  trans-55.6108.7178.9-99.7-111.4000112.7
55Q29Very low49Very low152 Ų15298.7 Ų98.771%0.7153%0.532SS*.  trans-158.1126136.6-135.3162.9-50.600110.5H53 D57H53-Q55 PolarHBondContact O-N 3.14Å; H53-Q55 VanDerWaalsContact O-N 3.12Å; Q55-D57 VanDerWaalsContact CD-OD2 3.27Å; Q55-D57 WeakPolarHBondContact CG-OD2 3.44Å; Q55-D57 PolarHBondContact NE2-OD2 3.34Å; Q55-D57 PolarHBondContact O-N 2.94Å
56A29.1Very low50.2Low105 Ų10592 Ų9287%0.86851%0.506SS*.  trans-8553.4-179.700000111.3T58A56-T58 PolarHBondContact O-N 2.98Å
57D29Very low51.7Low100 Ų10091.6 Ų91.654%0.53550%0.504SS..  trans-94.3101.2-177.3-72.6-24.9000111.4Q55 S59Q55-D57 VanDerWaalsContact CD-OD2 3.27Å; Q55-D57 WeakPolarHBondContact CG-OD2 3.44Å; Q55-D57 PolarHBondContact NE2-OD2 3.34Å; Q55-D57 PolarHBondContact O-N 2.94Å; D57-S59 PolarHBondContact O-N 2.99Å; D57-S59 PolarHBondContact O-OG 2.96Å
58T34.3Very low53.7Low136 Ų13687.7 Ų87.783%0.83448%0.477SS*.  trans-1.276.5154.156.20000117.3A56A56-T58 PolarHBondContact O-N 2.98Å
59S40Very low55.6Low89 Ų8981.7 Ų81.762%0.62245%0.452SS*.  trans-109.8102.6163.534.10000108.3D57 D61D57-S59 PolarHBondContact O-N 2.99Å; D57-S59 PolarHBondContact O-OG 2.96Å; S59-D61 PolarHBondContact O-N 2.8Å
60I47.8Very low57.5Low135 Ų13578.2 Ų78.269%0.69244%0.442SS*.  trans-74.888.6-170.3-59.7174.3000110.1
61D57.2Low59.9Low60 Ų6072.3 Ų72.332%0.32142%0.416SS..  32.2116.8129.1-72.1-36.2000118Y45 S59 H80Y45-D61 HydrophobicContact CD1-CB 3.55Å; Y45-D61 HydrophobicContact CE1-CB 4.44Å; Y45-D61 HydrophobicContact CG-CB 4.28Å; S59-D61 PolarHBondContact O-N 2.8Å; D61-H80 PolarHBondContact O-CD2 3.36Å
62G66.8Low62.4Low9 Ų967.9 Ų67.99%0.09339%0.387CS..EExtended strand (participates in β ladder)trans-82.8-178167.600000113.6Y45 Y46 Q78Y45-G62 WeakPolarHBondContact CA-O 3.36Å; Y45-G62 PolarHBondContact N-O 3.35Å; Y45-G62 VanDerWaalsContact N-O 3.14Å; Y46-G62 VanDerWaalsContact CD1-C 3.42Å; Y46-G62 VanDerWaalsContact CD1-O 3.28Å; Y46-G62 WeakPolarHBondContact CD1-O 3.37Å; Y46-G62 VanDerWaalsContact CE1-CA 3.44Å; Y46-G62 PolarHBondContact N-O 2.68Å; G62-Q78 CarbonylContact C-O 3.49Å; G62-Q78 VanDerWaalsContact CA-O 3.26Å; G62-Q78 WeakPolarHBondContact CA-O 3.37Å
63S78.3Confident65.3Low3 Ų362.3 Ų62.32%0.02135%0.348CS..EExtended strand (participates in β ladder)trans-121.3147.7159.266.60000112.1L43 Q78 R653L43-S63 CarbonylContact O-C 3.59Å; L43-S63 WeakPolarHBondContact O-CA 3.38Å; L43-S63 WeakPolarHBondContact O-CB 3.47Å; S63-Q78 PolarHBondContact N-O 3.05Å; S63-Q78 PolarHBondContact O-N 2.78Å; S63-Q78 PolarHBondContact OG-OE1 2.83Å; S63-R653 PolarHBondContact OG-NH2 2.83Å
64I85.1Confident68Low1 Ų155.1 Ų55.11%0.00531%0.313CS..EExtended strand (participates in β ladder)trans-111.3142.9174.8-56.8172000108F42 L43 Y46 I75 Y76 T77 F108 L135F42-I64 WeakPolarHBondContact CA-O 3.36Å; L43-I64 HydrophobicContact CB-CB 4.45Å; L43-I64 PolarHBondContact N-O 3.05Å; L43-I64 PolarHBondContact O-N 2.93Å; Y46-I64 HydrophobicContact CD1-CD1 3.83Å; Y46-I64 HydrophobicContact CD1-CG1 3.46Å; Y46-I64 VanDerWaalsContact CD1-CG1 3.46Å; Y46-I64 HydrophobicContact CD2-CD1 4.01Å; Y46-I64 HydrophobicContact CD2-CG1 4.42Å; Y46-I64 HydrophobicContact CE1-CD1 4.11Å; Y46-I64 HydrophobicContact CE1-CG1 3.46Å; Y46-I64 VanDerWaalsContact CE1-CG1 3.46Å; Y46-I64 HydrophobicContact CE2-CD1 4.3Å; Y46-I64 HydrophobicContact CE2-CG1 4.44Å; Y46-I64 HydrophobicContact CG-CD1 3.74Å; Y46-I64 HydrophobicContact CG-CG1 3.94Å; I64-I75 HydrophobicContact CG2-CG2 3.96Å; I64-Y76 CarbonylContact C-O 3.55Å; I64-Y76 VanDerWaalsContact CA-O 3.31Å; I64-Y76 WeakPolarHBondContact CA-O 3.3Å; I64-T77 HydrophobicContact CG1-CG2 4.45Å; I64-F108 HydrophobicContact CB-CZ 4.32Å; I64-F108 HydrophobicContact CG2-CZ 3.88Å; I64-L135 HydrophobicContact CD1-CD1 3.88Å; I64-L135 HydrophobicContact CD1-CD2 3.65Å; I64-L135 HydrophobicContact CD1-CG 3.78Å
65F88.5Confident70.7Confident6 Ų645.6 Ų45.63%0.02627%0.272CS..EExtended strand (participates in β ladder)trans-129.2151.2158.485.3-93.1000112.2S41 F42 I67 Y76 F89 F666S41-F65 CarbonylContact O-C 3.58Å; S41-F65 WeakPolarHBondContact O-CA 3.36Å; F42-F65 HydrophobicContact CD1-CB 3.34Å; F42-F65 HydrophobicContact CD1-CG 4.32Å; F42-F65 HydrophobicContact CD2-CB 4.47Å; F42-F65 HydrophobicContact CE1-CB 3.35Å; F42-F65 HydrophobicContact CE1-CD1 4.25Å; F42-F65 AromaticContact CE1-CG 3.85Å; F42-F65 HydrophobicContact CE1-CG 3.85Å; F42-F65 HydrophobicContact CE2-CB 4.49Å; F42-F65 HydrophobicContact CG-CB 3.95Å; F42-F65 HydrophobicContact CZ-CB 3.97Å; F42-F65 HydrophobicContact CZ-CG 4.27Å; F65-I67 HydrophobicContact CE2-CG2 4.38Å; F65-Y76 VanDerWaalsContact CD1-CB 3.48Å; F65-Y76 HydrophobicContact CD1-CD2 4.48Å; F65-Y76 HydrophobicContact CD1-CG 4.14Å; F65-Y76 HydrophobicContact CD2-CD2 4.11Å; F65-Y76 AromaticContact CE1-CD1 4Å; F65-Y76 HydrophobicContact CE1-CD1 4Å; F65-Y76 AromaticContact CE1-CD2 3.9Å; F65-Y76 HydrophobicContact CE1-CD2 3.9Å; F65-Y76 AromaticContact CE1-CG 3.47Å; F65-Y76 HydrophobicContact CE1-CG 3.47Å; F65-Y76 VanDerWaalsContact CE1-CG 3.47Å; F65-Y76 AromaticContact CE2-CD2 3.46Å; F65-Y76 HydrophobicContact CE2-CD2 3.46Å; F65-Y76 VanDerWaalsContact CE2-CD2 3.46Å; F65-Y76 AromaticContact CE2-CE2 3.89Å; F65-Y76 HydrophobicContact CE2-CE2 3.89Å; F65-Y76 AromaticContact CE2-CG 3.95Å; F65-Y76 HydrophobicContact CE2-CG 3.95Å; F65-Y76 AromaticContact CZ-CD1 3.87Å; F65-Y76 HydrophobicContact CZ-CD1 3.87Å; F65-Y76 AromaticContact CZ-CD2 3.34Å; F65-Y76 HydrophobicContact CZ-CD2 3.34Å; F65-Y76 HydrophobicContact CZ-CE1 4.27Å; F65-Y76 AromaticContact CZ-CE2 3.81Å; F65-Y76 HydrophobicContact CZ-CE2 3.81Å; F65-Y76 AromaticContact CZ-CG 3.36Å; F65-Y76 HydrophobicContact CZ-CG 3.36Å; F65-Y76 PolarHBondContact N-O 3.21Å; F65-Y76 PolarHBondContact O-N 3.33Å; F65-F89 HydrophobicContact CD1-CD1 4.27Å; F65-F89 AromaticContact CD1-CE1 3.67Å; F65-F89 HydrophobicContact CD1-CE1 3.67Å; F65-F89 HydrophobicContact CD1-CZ 4.09Å; F65-F89 AromaticContact CE1-CD1 3.78Å; F65-F89 HydrophobicContact CE1-CD1 3.78Å; F65-F89 HydrophobicContact CE1-CD2 4.47Å; F65-F89 AromaticContact CE1-CE1 3.4Å; F65-F89 HydrophobicContact CE1-CE1 3.4Å; F65-F89 HydrophobicContact CE1-CE2 4.14Å; F65-F89 HydrophobicContact CE1-CG 4.31Å; F65-F89 AromaticContact CE1-CZ 3.6Å; F65-F89 HydrophobicContact CE1-CZ 3.6Å; F65-F666 HydrophobicContact CE1-CZ 4.38Å; F65-F666 HydrophobicContact CE2-CE2 4.16Å; F65-F666 HydrophobicContact CE2-CZ 4.16Å; F65-F666 HydrophobicContact CZ-CE1 4.23Å; F65-F666 HydrophobicContact CZ-CE2 4.4Å; F65-F666 AromaticContact CZ-CZ 3.95Å; F65-F666 HydrophobicContact CZ-CZ 3.95Å
66C91.6Very high73.3Confident0 Ų039.9 Ų39.90%024%0.244CC..EExtended strand (participates in β ladder)trans-122145.8177.3-70.80000110L40 S41 I73 R74 F108 L120L40-C66 WeakPolarHBondContact CA-O 3.34Å; S41-C66 PolarHBondContact N-O 3.44Å; S41-C66 PolarHBondContact O-N 3Å; C66-I73 HydrophobicContact CB-CD1 3.99Å; C66-I73 HydrophobicContact CB-CG1 4.16Å; C66-R74 VanDerWaalsContact CA-O 3.28Å; C66-R74 WeakPolarHBondContact CA-O 3.32Å; C66-F108 HydrophobicContact CB-CE2 4.37Å; C66-L120 HydrophobicContact CB-CD2 4.1Å
67I91.9Very high75.7Confident1 Ų136.7 Ų36.71%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-138.9129.3176-178.6177.5000108.8L22 I38 L40 F65 V69 I73 R74 Y76 V660L22-I67 HydrophobicContact CD1-CD1 4.04Å; L22-I67 HydrophobicContact CD1-CG2 4.28Å; I38-I67 HydrophobicContact CG2-CD1 3.89Å; I38-I67 HydrophobicContact CG2-CG1 3.68Å; L40-I67 HydrophobicContact CD2-CB 3.9Å; L40-I67 HydrophobicContact CD2-CD1 4.14Å; L40-I67 HydrophobicContact CD2-CG1 3.97Å; F65-I67 HydrophobicContact CE2-CG2 4.38Å; I67-V69 HydrophobicContact CG1-CG2 4.48Å; I67-I73 WeakPolarHBondContact O-CA 3.3Å; I67-R74 HydrophobicContact CG2-CB 3.9Å; I67-R74 PolarHBondContact N-O 2.86Å; I67-R74 PolarHBondContact O-N 3.44Å; I67-Y76 HydrophobicContact CG2-CD2 4.35Å; I67-Y76 HydrophobicContact CG2-CE2 3.77Å; I67-V660 HydrophobicContact CD1-CG2 3.73Å
68N92.9Very high77.6Confident2 Ų232.6 Ų32.61%0.01119%0.191CC..EExtended strand (participates in β ladder)trans-89.2139.9172.867-58.3000111.5A37 I38 R39 E72 L103 H106A37-N68 PolarHBondContact O-ND2 3.46Å; I38-N68 WeakPolarHBondContact CG1-O 3.37Å; I38-N68 WeakPolarHBondContact CG2-O 3.47Å; R39-N68 PolarHBondContact N-OD1 2.67Å; R39-N68 PolarHBondContact O-OD1 2.71Å; N68-E72 CarbonylContact C-O 3.58Å; N68-E72 VanDerWaalsContact CA-O 3.31Å; N68-E72 WeakPolarHBondContact CA-O 3.39Å; N68-L103 HydrophobicContact CB-CB 3.78Å; N68-L103 HydrophobicContact CB-CD2 3.88Å; N68-L103 HydrophobicContact CB-CG 4.28Å; N68-L103 PolarHBondContact ND2-O 2.97Å; N68-L103 VanDerWaalsContact ND2-O 3.13Å; N68-H106 PolarHBondContact OD1-CE1 2.75Å; N68-H106 VanDerWaalsContact OD1-CE1 3.31Å
69V88.9Confident79Confident10 Ų1030.9 Ų30.96%0.06117%0.174CC..EExtended strand (participates in β ladder)trans-134.597.9173.1-175.80000107.8I26 M28 I38 I67 N71 E72I26-V69 HydrophobicContact CD1-CG1 4.42Å; M28-V69 HydrophobicContact CE-CG1 3.67Å; I38-V69 HydrophobicContact CD1-CG2 4.45Å; I67-V69 HydrophobicContact CG1-CG2 4.48Å; V69-N71 PolarHBondContact O-N 2.82Å; V69-N71 VanDerWaalsContact O-N 3.13Å; V69-E72 PolarHBondContact N-O 2.88Å; V69-E72 PolarHBondContact O-N 3.23Å; V69-E72 VanDerWaalsContact O-N 3.08Å
70G86.6Confident79.7Confident37 Ų3730.8 Ų30.838%0.38116%0.163SC..THydrogen-bonded Turntrans59-113.6-173.600000112P102 L103G70-P102 VanDerWaalsContact O-CA 3.3Å; G70-P102 WeakPolarHBondContact O-CA 3.18Å; G70-L103 WeakPolarHBondContact O-CD1 3.47Å; G70-L103 PolarHBondContact O-N 2.62Å
71N90.9Very high79.4Confident42 Ų4226.8 Ų26.823%0.22515%0.151CC..THydrogen-bonded Turntrans-88.51.8-179.6-74.541.9000114V69 F99 P102 L103V69-N71 PolarHBondContact O-N 2.82Å; V69-N71 VanDerWaalsContact O-N 3.13Å; N71-F99 PolarHBondContact ND2-O 3.11Å; N71-F99 PolarHBondContact O-N 3.18Å; N71-P102 WeakPolarHBondContact OD1-CA 3.41Å; N71-P102 WeakPolarHBondContact OD1-CD 3.26Å; N71-P102 WeakPolarHBondContact OD1-CG 3.28Å; N71-L103 VanDerWaalsContact C-CD1 3.47Å
72E89.7Confident78.6Confident25 Ų2533.8 Ų33.812%0.11718%0.181CC..EExtended strand (participates in β ladder)trans-115.9146-175.8-68.8172.6-174.900110.6N68 V69 R74 I97 R98N68-E72 CarbonylContact C-O 3.58Å; N68-E72 VanDerWaalsContact CA-O 3.31Å; N68-E72 WeakPolarHBondContact CA-O 3.39Å; V69-E72 PolarHBondContact N-O 2.88Å; V69-E72 PolarHBondContact O-N 3.23Å; V69-E72 VanDerWaalsContact O-N 3.08Å; E72-R74 IonicContact OE2-NH2 2.82Å; E72-I97 WeakPolarHBondContact CA-O 3.48Å; E72-R98 HydrophobicContact CG-CB 3.95Å; E72-R98 HydrophobicContact CG-CG 3.77Å; E72-R98 WeakPolarHBondContact OE1-CD 3.45Å; E72-R98 IonicContact OE1-CZ 2.83Å; E72-R98 IonicContact OE1-NE 2.88Å; E72-R98 IonicContact OE1-NH1 3.78Å; E72-R98 PolarHBondContact OE1-NH1 2.6Å
73I90.8Very high77.4Confident0 Ų036.4 Ų36.40%020%0.198CC..EExtended strand (participates in β ladder)trans-112.1135.9162.4-155.4167.6000108.5C66 I67 H96 I97 F99 L103 H106 L120 I122C66-I73 HydrophobicContact CB-CD1 3.99Å; C66-I73 HydrophobicContact CB-CG1 4.16Å; I67-I73 WeakPolarHBondContact O-CA 3.3Å; I73-H96 CarbonylContact O-C 3.57Å; I73-H96 WeakPolarHBondContact O-CA 3.49Å; I73-H96 WeakPolarHBondContact O-CB 3.41Å; I73-I97 HydrophobicContact CG2-CB 4.02Å; I73-I97 PolarHBondContact N-O 2.88Å; I73-I97 PolarHBondContact O-N 3.08Å; I73-F99 HydrophobicContact CB-CE2 4.23Å; I73-F99 HydrophobicContact CG2-CE2 3.82Å; I73-F99 HydrophobicContact CG2-CZ 4.37Å; I73-L103 HydrophobicContact CB-CD2 3.74Å; I73-L103 HydrophobicContact CD1-CD2 3.88Å; I73-L103 HydrophobicContact CG1-CD2 4.09Å; I73-H106 HydrophobicContact CD1-CB 4.49Å; I73-L120 HydrophobicContact CD1-CD2 3.6Å; I73-I122 HydrophobicContact CD1-CD1 3.99Å; I73-I122 HydrophobicContact CD1-CG1 4.48Å
74R88.9Confident75.7Confident35 Ų3540 Ų4013%0.13222%0.223CC..EExtended strand (participates in β ladder)trans-110.6136.2175-62.7-178.6179.9136.51.8109.2L22 C66 I67 E72 Y76 P94 A95 H96L22-R74 VanDerWaalsContact CD2-NH1 3.31Å; C66-R74 VanDerWaalsContact CA-O 3.28Å; C66-R74 WeakPolarHBondContact CA-O 3.32Å; I67-R74 HydrophobicContact CG2-CB 3.9Å; I67-R74 PolarHBondContact N-O 2.86Å; I67-R74 PolarHBondContact O-N 3.44Å; E72-R74 IonicContact OE2-NH2 2.82Å; R74-Y76 HydrophobicContact CB-CE2 3.94Å; R74-P94 HydrophobicContact CB-CB 4.41Å; R74-P94 HydrophobicContact CB-CG 4.35Å; R74-A95 CarbonylContact C-O 3.56Å; R74-A95 WeakPolarHBondContact CA-O 3.39Å; R74-H96 HydrophobicContact CG-CB 4.09Å
75I87.7Confident73.4Confident9 Ų946.4 Ų46.45%0.04626%0.257CS..EExtended strand (participates in β ladder)trans-116.9125.1-171.3-60.5153.2000107.2I64 P94 A95 I97 P134I64-I75 HydrophobicContact CG2-CG2 3.96Å; I75-P94 WeakPolarHBondContact O-CB 3.34Å; I75-A95 HydrophobicContact CB-CB 4.26Å; I75-A95 PolarHBondContact N-O 3.15Å; I75-A95 PolarHBondContact O-N 2.91Å; I75-I97 HydrophobicContact CD1-CD1 3.87Å; I75-I97 HydrophobicContact CD1-CG1 4.26Å; I75-P134 HydrophobicContact CD1-CB 3.6Å; I75-P134 HydrophobicContact CG1-CB 3.86Å; I75-P134 HydrophobicContact CG2-CB 3.97Å
76Y84Confident70.9Confident32 Ų3250.8 Ų50.813%0.12528%0.278CS..EExtended strand (participates in β ladder)trans-120.4122.8-178.9-71.2-96.8000109.5L22 I64 F65 I67 R74 F89 P94L22-Y76 WeakPolarHBondContact CD2-OH 3.23Å; L22-Y76 VanDerWaalsContact CG-OH 3.23Å; L22-Y76 WeakPolarHBondContact CG-OH 3.38Å; I64-Y76 CarbonylContact C-O 3.55Å; I64-Y76 VanDerWaalsContact CA-O 3.31Å; I64-Y76 WeakPolarHBondContact CA-O 3.3Å; F65-Y76 VanDerWaalsContact CD1-CB 3.48Å; F65-Y76 HydrophobicContact CD1-CD2 4.48Å; F65-Y76 HydrophobicContact CD1-CG 4.14Å; F65-Y76 HydrophobicContact CD2-CD2 4.11Å; F65-Y76 AromaticContact CE1-CD1 4Å; F65-Y76 HydrophobicContact CE1-CD1 4Å; F65-Y76 AromaticContact CE1-CD2 3.9Å; F65-Y76 HydrophobicContact CE1-CD2 3.9Å; F65-Y76 AromaticContact CE1-CG 3.47Å; F65-Y76 HydrophobicContact CE1-CG 3.47Å; F65-Y76 VanDerWaalsContact CE1-CG 3.47Å; F65-Y76 AromaticContact CE2-CD2 3.46Å; F65-Y76 HydrophobicContact CE2-CD2 3.46Å; F65-Y76 VanDerWaalsContact CE2-CD2 3.46Å; F65-Y76 AromaticContact CE2-CE2 3.89Å; F65-Y76 HydrophobicContact CE2-CE2 3.89Å; F65-Y76 AromaticContact CE2-CG 3.95Å; F65-Y76 HydrophobicContact CE2-CG 3.95Å; F65-Y76 AromaticContact CZ-CD1 3.87Å; F65-Y76 HydrophobicContact CZ-CD1 3.87Å; F65-Y76 AromaticContact CZ-CD2 3.34Å; F65-Y76 HydrophobicContact CZ-CD2 3.34Å; F65-Y76 HydrophobicContact CZ-CE1 4.27Å; F65-Y76 AromaticContact CZ-CE2 3.81Å; F65-Y76 HydrophobicContact CZ-CE2 3.81Å; F65-Y76 AromaticContact CZ-CG 3.36Å; F65-Y76 HydrophobicContact CZ-CG 3.36Å; F65-Y76 PolarHBondContact N-O 3.21Å; F65-Y76 PolarHBondContact O-N 3.33Å; I67-Y76 HydrophobicContact CG2-CD2 4.35Å; I67-Y76 HydrophobicContact CG2-CE2 3.77Å; R74-Y76 HydrophobicContact CB-CE2 3.94Å; Y76-F89 HydrophobicContact CD1-CB 4.49Å; Y76-P94 HydrophobicContact CD1-CB 4.03Å; Y76-P94 HydrophobicContact CD2-CB 4.21Å; Y76-P94 HydrophobicContact CE1-CB 3.82Å; Y76-P94 HydrophobicContact CE1-CG 3.97Å; Y76-P94 HydrophobicContact CE2-CB 3.99Å; Y76-P94 HydrophobicContact CE2-CG 4.2Å; Y76-P94 HydrophobicContact CG-CB 4.24Å
77T78.8Confident68.8Low39 Ų3954.8 Ų54.824%0.23929%0.293CS..EExtended strand (participates in β ladder)trans-94.5136.7170.551.50000110I64 C90 L135I64-T77 HydrophobicContact CG1-CG2 4.45Å; T77-C90 PolarHBondContact O-N 3.27Å; T77-C90 PolarHBondContact O-SG 3.38Å; T77-C90 VanDerWaalsContact O-SG 3.34Å; T77-C90 PolarHBondContact OG1-SG 3.35Å; T77-L135 HydrophobicContact CG2-CD2 4.25Å
78Q68.9Low66.6Low13 Ų1363.2 Ų63.26%0.06133%0.325CS..EExtended strand (participates in β ladder)trans-120.3108.9171.5-179167.854.900108.4G62 S63 F89G62-Q78 CarbonylContact C-O 3.49Å; G62-Q78 VanDerWaalsContact CA-O 3.26Å; G62-Q78 WeakPolarHBondContact CA-O 3.37Å; S63-Q78 PolarHBondContact N-O 3.05Å; S63-Q78 PolarHBondContact O-N 2.78Å; S63-Q78 PolarHBondContact OG-OE1 2.83Å; Q78-F89 HydrophobicContact CB-CD1 3.87Å; Q78-F89 HydrophobicContact CB-CE1 3.85Å; Q78-F89 HydrophobicContact CG-CD1 4.36Å; Q78-F89 HydrophobicContact CG-CE1 4.23Å
79E63.3Low64.7Low100 Ų10066 Ų6647%0.46734%0.337SS..  trans-83.5139.7172.1-60.7-174.3153.300109K48 A81K48-E79 IonicContact NZ-OE1 3.5Å; K48-E79 PolarHBondContact NZ-OE1 2.62Å; E79-A81 PolarHBondContact O-N 3.32Å
80H54.5Low62.7Low87 Ų8768.2 Ų68.240%0.40335%0.352SS..  trans-73.591.9-179.2-86.7-106.7000110.7D61 H82D61-H80 PolarHBondContact O-CD2 3.36Å; H80-H82 PolarHBondContact O-N 3.32Å
81A41.7Very low60.6Low52 Ų5271 Ų7143%0.4338%0.381SS..  trans-56.2137.1166.400000110.2E79 S83 E86E79-A81 PolarHBondContact O-N 3.32Å; A81-S83 PolarHBondContact O-N 3.11Å; A81-E86 WeakPolarHBondContact CB-O 3.44Å
82H41.2Very low58.9Low206 Ų20671.8 Ų71.895%0.95440%0.399SS*.SBendtrans-69.210.5-176.9-60.7-31.3000114.9H80H80-H82 PolarHBondContact O-N 3.32Å
83S40.8Very low57.8Low64 Ų6476 Ų7645%0.44843%0.431SS..SBendtrans-132.9143166.484.30000110.4A81 N85A81-S83 PolarHBondContact O-N 3.11Å; S83-N85 PolarHBondContact O-N 3.05Å; S83-N85 VanDerWaalsContact O-N 3.08Å
84S42.3Very low57.1Low78 Ų7877.5 Ų77.555%0.54544%0.441SS..THydrogen-bonded Turntrans-60.1-19.4-178.3500000114.4
85N38.2Very low56.7Low136 Ų13678.7 Ų78.773%0.72746%0.458SS*.THydrogen-bonded Turntrans-100.6-11.1-163.6-61.70.4000113.8S83S83-N85 PolarHBondContact O-N 3.05Å; S83-N85 VanDerWaalsContact O-N 3.08Å
86E36.4Very low56.7Low98 Ų9883.9 Ų83.946%0.45848%0.482SS..  trans-115.355.6172.1-78-162.8140.700111.9A81 R88A81-E86 WeakPolarHBondContact CB-O 3.44Å; E86-R88 PolarHBondContact O-N 2.88Å; E86-R88 IonicContact OE1-CZ 3.79Å; E86-R88 IonicContact OE1-NH1 3.99Å; E86-R88 PolarHBondContact OE1-NH1 2.87Å; E86-R88 IonicContact OE1-NH2 3.86Å; E86-R88 PolarHBondContact OE1-NH2 3.27Å; E86-R88 IonicContact OE2-NH1 3.39Å
87R47.2Very low56.9Low85 Ų8584.8 Ų84.832%0.32149%0.488SS..  trans-70.557.7165.1-74.7-169.1-171.8-171.93.9111.9D655R87-D655 IonicContact CZ-OD2 3.68Å; R87-D655 IonicContact NH1-OD2 2.68Å; R87-D655 PolarHBondContact NH1-OD2 3.38Å; R87-D655 IonicContact NH2-OD2 3.07Å; R87-D655 PolarHBondContact NH2-OD2 2.73Å
88R45.5Very low57.5Low177 Ų17790 Ų9067%0.66850%0.504SS*.PPolyproline II helixtrans-74.8125171.3-67.9-168.9-179.7116.313.8109.4E86E86-R88 PolarHBondContact O-N 2.88Å; E86-R88 IonicContact OE1-CZ 3.79Å; E86-R88 IonicContact OE1-NH1 3.99Å; E86-R88 PolarHBondContact OE1-NH1 2.87Å; E86-R88 IonicContact OE1-NH2 3.86Å; E86-R88 PolarHBondContact OE1-NH2 3.27Å; E86-R88 IonicContact OE2-NH1 3.39Å
89F53Low58.5Low60 Ų6090 Ų9026%0.26350%0.503SS..PPolyproline II helixtrans-60.2145.5160.7-62.7-70.8000108.7F65 Y76 Q78 G91F65-F89 HydrophobicContact CD1-CD1 4.27Å; F65-F89 AromaticContact CD1-CE1 3.67Å; F65-F89 HydrophobicContact CD1-CE1 3.67Å; F65-F89 HydrophobicContact CD1-CZ 4.09Å; F65-F89 AromaticContact CE1-CD1 3.78Å; F65-F89 HydrophobicContact CE1-CD1 3.78Å; F65-F89 HydrophobicContact CE1-CD2 4.47Å; F65-F89 AromaticContact CE1-CE1 3.4Å; F65-F89 HydrophobicContact CE1-CE1 3.4Å; F65-F89 HydrophobicContact CE1-CE2 4.14Å; F65-F89 HydrophobicContact CE1-CG 4.31Å; F65-F89 AromaticContact CE1-CZ 3.6Å; F65-F89 HydrophobicContact CE1-CZ 3.6Å; Y76-F89 HydrophobicContact CD1-CB 4.49Å; Q78-F89 HydrophobicContact CB-CD1 3.87Å; Q78-F89 HydrophobicContact CB-CE1 3.85Å; Q78-F89 HydrophobicContact CG-CD1 4.36Å; Q78-F89 HydrophobicContact CG-CE1 4.23Å; F89-G91 PolarHBondContact O-N 3.04Å; F89-G91 VanDerWaalsContact O-N 3.13Å
90C45.7Very low59.8Low58 Ų5896.4 Ų96.439%0.39252%0.523SS..PPolyproline II helixtrans-51.1122-174.2-60.20000110.6T77 G92T77-C90 PolarHBondContact O-N 3.27Å; T77-C90 PolarHBondContact O-SG 3.38Å; T77-C90 VanDerWaalsContact O-SG 3.34Å; T77-C90 PolarHBondContact OG1-SG 3.35Å; C90-G92 PolarHBondContact O-N 3.29Å
91G43.8Very low61.6Low96 Ų9692.7 Ų92.799%0.9951%0.508SS*.SBendtrans-73.631.3-164.700000116.8F89F89-G91 PolarHBondContact O-N 3.04Å; F89-G91 VanDerWaalsContact O-N 3.13Å
92G54.9Low64Low58 Ų5890.9 Ų90.960%0.59849%0.492SS*.SBendtrans-112.8170.6169.400000111C90C90-G92 PolarHBondContact O-N 3.29Å
93S66.8Low66.5Low113 Ų11381 Ų8179%0.7945%0.446SS*.PPolyproline II helixtrans-56.3131.7171.4-570000110
94P75Confident69.1Low32 Ų3279 Ų7921%0.20843%0.431CS..PPolyproline II helixtrans-60.7144.8-179.326.1-35.6000110.8R74 I75 Y76R74-P94 HydrophobicContact CB-CB 4.41Å; R74-P94 HydrophobicContact CB-CG 4.35Å; I75-P94 WeakPolarHBondContact O-CB 3.34Å; Y76-P94 HydrophobicContact CD1-CB 4.03Å; Y76-P94 HydrophobicContact CD2-CB 4.21Å; Y76-P94 HydrophobicContact CE1-CB 3.82Å; Y76-P94 HydrophobicContact CE1-CG 3.97Å; Y76-P94 HydrophobicContact CE2-CB 3.99Å; Y76-P94 HydrophobicContact CE2-CG 4.2Å; Y76-P94 HydrophobicContact CG-CB 4.24Å
95A82.1Confident71.6Confident59 Ų5976 Ų7649%0.48841%0.41SS..EExtended strand (participates in β ladder)trans-58.8141.6169.900000108.8R74 I75R74-A95 CarbonylContact C-O 3.56Å; R74-A95 WeakPolarHBondContact CA-O 3.39Å; I75-A95 HydrophobicContact CB-CB 4.26Å; I75-A95 PolarHBondContact N-O 3.15Å; I75-A95 PolarHBondContact O-N 2.91Å
96H86.8Confident74.4Confident118 Ų11870.1 Ų70.155%0.54638%0.378SS..EExtended strand (participates in β ladder)trans-143.5145.2-17767.2-80.5000111.8I73 R74I73-H96 CarbonylContact O-C 3.57Å; I73-H96 WeakPolarHBondContact O-CA 3.49Å; I73-H96 WeakPolarHBondContact O-CB 3.41Å; R74-H96 HydrophobicContact CG-CB 4.09Å
97I89Confident77.1Confident51 Ų5167.3 Ų67.326%0.26237%0.369SS..EExtended strand (participates in β ladder)trans-126.4130.8179.2-58.2167.8000107.9E72 I73 I75 F99 I132E72-I97 WeakPolarHBondContact CA-O 3.48Å; I73-I97 HydrophobicContact CG2-CB 4.02Å; I73-I97 PolarHBondContact N-O 2.88Å; I73-I97 PolarHBondContact O-N 3.08Å; I75-I97 HydrophobicContact CD1-CD1 3.87Å; I75-I97 HydrophobicContact CD1-CG1 4.26Å; I97-F99 HydrophobicContact CB-CE2 4.14Å; I97-F99 HydrophobicContact CB-CZ 4.29Å; I97-F99 HydrophobicContact CG2-CE1 4.3Å; I97-F99 HydrophobicContact CG2-CE2 3.85Å; I97-F99 HydrophobicContact CG2-CZ 3.68Å; I97-F99 WeakPolarHBondContact O-CE2 3.47Å; I97-I132 HydrophobicContact CD1-CD1 3.66Å
98R90.4Very high79.3Confident149 Ų14963.9 Ų63.956%0.56236%0.356SS*.EExtended strand (participates in β ladder)trans-107.6135.9-176.4-171170.1178.9141.8-11.2111.7E72E72-R98 HydrophobicContact CG-CB 3.95Å; E72-R98 HydrophobicContact CG-CG 3.77Å; E72-R98 WeakPolarHBondContact OE1-CD 3.45Å; E72-R98 IonicContact OE1-CZ 2.83Å; E72-R98 IonicContact OE1-NE 2.88Å; E72-R98 IonicContact OE1-NH1 3.78Å; E72-R98 PolarHBondContact OE1-NH1 2.6Å
99F90.7Very high81.4Confident12 Ų1255.8 Ų55.85%0.05333%0.326CS..  trans-114.1161.6-175.4-59.9-91.8000111.6N71 I73 I97 A101 L103 I122 L124 K130N71-F99 PolarHBondContact ND2-O 3.11Å; N71-F99 PolarHBondContact O-N 3.18Å; I73-F99 HydrophobicContact CB-CE2 4.23Å; I73-F99 HydrophobicContact CG2-CE2 3.82Å; I73-F99 HydrophobicContact CG2-CZ 4.37Å; I97-F99 HydrophobicContact CB-CE2 4.14Å; I97-F99 HydrophobicContact CB-CZ 4.29Å; I97-F99 HydrophobicContact CG2-CE1 4.3Å; I97-F99 HydrophobicContact CG2-CE2 3.85Å; I97-F99 HydrophobicContact CG2-CZ 3.68Å; I97-F99 WeakPolarHBondContact O-CE2 3.47Å; F99-A101 VanDerWaalsContact C-N 3.28Å; F99-A101 PolarHBondContact O-N 2.76Å; F99-L103 HydrophobicContact CB-CD1 4.45Å; F99-L103 HydrophobicContact CD2-CD1 3.61Å; F99-L103 HydrophobicContact CD2-CD2 4.28Å; F99-L103 HydrophobicContact CD2-CG 4.18Å; F99-L103 HydrophobicContact CE2-CD1 4.22Å; F99-L103 HydrophobicContact CE2-CD2 4.09Å; F99-L103 HydrophobicContact CE2-CG 4.47Å; F99-L103 HydrophobicContact CG-CD1 4.28Å; F99-I122 HydrophobicContact CE1-CD1 4.29Å; F99-I122 HydrophobicContact CE2-CD1 4.27Å; F99-I122 HydrophobicContact CZ-CD1 3.61Å; F99-L124 HydrophobicContact CB-CD1 4.5Å; F99-L124 HydrophobicContact CB-CD2 4.19Å; F99-L124 HydrophobicContact CD1-CD1 4.31Å; F99-L124 HydrophobicContact CD1-CD2 4.36Å; F99-L124 HydrophobicContact CG-CD2 4.24Å; F99-K130 HydrophobicContact CD1-CD 3.72Å; F99-K130 HydrophobicContact CE1-CD 3.62Å
100R89.8Confident82.5Confident235 Ų23563.2 Ų63.289%0.88735%0.352SS*.SBendtrans-75.3-17.2179.2-68.6-178179161.1-0.5113.4
101A91.9Very high83.5Confident9 Ų963.7 Ų63.77%0.07436%0.36CS..SBendtrans-134.7159.1178.500000110.2F99 L124 N126F99-A101 VanDerWaalsContact C-N 3.28Å; F99-A101 PolarHBondContact O-N 2.76Å; A101-L124 HydrophobicContact CB-CB 4.38Å; A101-N126 HydrophobicContact CB-CB 3.74Å
102P92.5Very high84.4Confident14 Ų1461.4 Ų61.49%0.09133%0.327CS..  trans-57.4142.7172.8-23.931.5000112.4A36 G70 N71 L124 A125A36-P102 HydrophobicContact CB-CB 4.33Å; G70-P102 VanDerWaalsContact O-CA 3.3Å; G70-P102 WeakPolarHBondContact O-CA 3.18Å; N71-P102 WeakPolarHBondContact OD1-CA 3.41Å; N71-P102 WeakPolarHBondContact OD1-CD 3.26Å; N71-P102 WeakPolarHBondContact OD1-CG 3.28Å; P102-L124 WeakPolarHBondContact O-CA 3.22Å; P102-A125 HydrophobicContact CB-CB 4.13Å; P102-A125 HydrophobicContact CG-CB 4.35Å; P102-A125 PolarHBondContact O-N 3.02Å
103L94.4Very high84.2Confident0 Ų067.1 Ų67.10%034%0.344CS..EExtended strand (participates in β ladder)trans-79.9138.8169.2-61.877000109.5N68 G70 N71 I73 F99 I122 L124N68-L103 HydrophobicContact CB-CB 3.78Å; N68-L103 HydrophobicContact CB-CD2 3.88Å; N68-L103 HydrophobicContact CB-CG 4.28Å; N68-L103 PolarHBondContact ND2-O 2.97Å; N68-L103 VanDerWaalsContact ND2-O 3.13Å; G70-L103 WeakPolarHBondContact O-CD1 3.47Å; G70-L103 PolarHBondContact O-N 2.62Å; N71-L103 VanDerWaalsContact C-CD1 3.47Å; I73-L103 HydrophobicContact CB-CD2 3.74Å; I73-L103 HydrophobicContact CD1-CD2 3.88Å; I73-L103 HydrophobicContact CG1-CD2 4.09Å; F99-L103 HydrophobicContact CB-CD1 4.45Å; F99-L103 HydrophobicContact CD2-CD1 3.61Å; F99-L103 HydrophobicContact CD2-CD2 4.28Å; F99-L103 HydrophobicContact CD2-CG 4.18Å; F99-L103 HydrophobicContact CE2-CD1 4.22Å; F99-L103 HydrophobicContact CE2-CD2 4.09Å; F99-L103 HydrophobicContact CE2-CG 4.47Å; F99-L103 HydrophobicContact CG-CD1 4.28Å; L103-I122 HydrophobicContact CB-CG2 4.48Å; L103-I122 HydrophobicContact CD2-CD1 4.39Å; L103-I122 HydrophobicContact CD2-CG2 3.62Å; L103-I122 HydrophobicContact CG-CG2 3.88Å; L103-L124 HydrophobicContact CB-CD2 4.37Å; L103-L124 HydrophobicContact CD1-CD2 4.41Å; L103-L124 HydrophobicContact CG-CD2 3.84Å
104T94.3Very high83.6Confident22 Ų2270.3 Ų70.314%0.13534%0.344CS..EExtended strand (participates in β ladder)trans-113.6-33.8-178.9530000112.8G123 A125 V154T104-G123 PolarHBondContact N-O 3.31Å; T104-G123 PolarHBondContact OG1-O 2.61Å; T104-A125 HydrophobicContact CG2-CB 3.77Å; T104-V154 WeakPolarHBondContact CB-O 3.37Å; T104-V154 WeakPolarHBondContact CG2-O 2.94Å; T104-V154 PolarHBondContact OG1-O 2.78Å
105S95.5Very high82.7Confident15 Ų1570 Ų7011%0.10534%0.341CS..EExtended strand (participates in β ladder)trans-153.2149.5-179.9-173.40000109.4G123 V157S105-G123 PolarHBondContact O-N 2.77Å; S105-V157 PolarHBondContact OG-N 2.96Å
106H96.4Very high81.6Confident11 Ų1177.9 Ų77.95%0.05136%0.358CS..EExtended strand (participates in β ladder)trans-150.1153.1171.455.1-79.9000110R39 S41 N68 I73 L120 L121 I122R39-H106 PolarHBondContact O-CE1 2.91Å; S41-H106 VanDerWaalsContact CB-CD2 3.43Å; S41-H106 WeakPolarHBondContact CB-CD2 3.35Å; S41-H106 PolarHBondContact OG-CD2 3.47Å; S41-H106 PolarHBondContact OG-O 2.71Å; S41-H106 VanDerWaalsContact OG-O 3.06Å; N68-H106 PolarHBondContact OD1-CE1 2.75Å; N68-H106 VanDerWaalsContact OD1-CE1 3.31Å; I73-H106 HydrophobicContact CD1-CB 4.49Å; H106-L120 HydrophobicContact CB-CD1 4.3Å; H106-L121 CarbonylContact C-O 3.59Å; H106-L121 WeakPolarHBondContact CA-O 3.41Å; H106-L121 WeakPolarHBondContact CB-O 3.47Å; H106-I122 HydrophobicContact CB-CG1 4.02Å
107C94.5Very high80.7Confident40 Ų4074.8 Ų74.827%0.2735%0.346SS..EExtended strand (participates in β ladder)trans-153.5125.2-174.7-1740000111L121 V157 W159C107-L121 PolarHBondContact N-O 2.91Å; C107-L121 WeakPolarHBondContact O-CB 3.32Å; C107-L121 PolarHBondContact O-N 3.02Å; C107-V157 HydrophobicContact CB-CG2 4.17Å; C107-W159 PolarHBondContact O-NE1 2.83Å
108F92.7Very high80.2Confident12 Ų1273 Ų735%0.05334%0.337CS..EExtended strand (participates in β ladder)trans-67.9143172.3-83.9-71.3000111.6F42 L43 I64 C66 R110 S118 L120 P134F42-F108 VanDerWaalsContact C-CD2 3.44Å; F42-F108 WeakPolarHBondContact O-CD2 3.4Å; L43-F108 HydrophobicContact CB-CB 4.44Å; L43-F108 HydrophobicContact CB-CD1 3.91Å; L43-F108 HydrophobicContact CB-CD2 3.86Å; L43-F108 HydrophobicContact CB-CE1 4.03Å; L43-F108 HydrophobicContact CB-CE2 4.02Å; L43-F108 HydrophobicContact CB-CG 3.82Å; L43-F108 HydrophobicContact CB-CZ 4.1Å; L43-F108 HydrophobicContact CD2-CD1 3.98Å; L43-F108 HydrophobicContact CD2-CE1 4.1Å; L43-F108 HydrophobicContact CG-CD1 4.42Å; I64-F108 HydrophobicContact CB-CZ 4.32Å; I64-F108 HydrophobicContact CG2-CZ 3.88Å; C66-F108 HydrophobicContact CB-CE2 4.37Å; F108-R110 PolarHBondContact O-N 2.92Å; F108-S118 WeakPolarHBondContact CE1-O 3.4Å; F108-L120 HydrophobicContact CD1-CB 4.17Å; F108-L120 HydrophobicContact CD1-CD1 3.95Å; F108-L120 HydrophobicContact CD2-CD1 4.03Å; F108-L120 HydrophobicContact CE1-CB 4.08Å; F108-L120 HydrophobicContact CE1-CD1 4.11Å; F108-L120 HydrophobicContact CE1-CG 4.5Å; F108-L120 HydrophobicContact CE2-CD1 4.16Å; F108-L120 HydrophobicContact CG-CD1 3.9Å; F108-L120 HydrophobicContact CZ-CD1 4.2Å; F108-L120 HydrophobicContact CZ-CD2 4.46Å; F108-P134 HydrophobicContact CE1-CG 3.79Å; F108-P134 HydrophobicContact CZ-CG 4.21Å
109R88.4Confident80.1Confident7 Ų767.1 Ų67.13%0.02632%0.316CS..PPolyproline II helixtrans-62.4122.6160.1179.6-178.7-62.4-81.618.8108.3Q119 W159 P164 E181R109-Q119 HydrophobicContact CB-CB 4.24Å; R109-Q119 WeakPolarHBondContact CB-O 3.21Å; R109-Q119 VanDerWaalsContact CZ-OE1 3.27Å; R109-Q119 PolarHBondContact N-O 2.79Å; R109-W159 HydrophobicContact CB-CZ2 4.42Å; R109-W159 VanDerWaalsContact CZ-CH2 3.48Å; R109-W159 VanDerWaalsContact NH2-CZ3 3.3Å; R109-P164 PolarHBondContact NH1-O 3.22Å; R109-P164 PolarHBondContact NH2-O 3.15Å; R109-E181 IonicContact CZ-OE1 3.12Å; R109-E181 IonicContact NH2-OE1 2.68Å; R109-E181 PolarHBondContact NH2-OE1 3.32Å; R109-E181 IonicContact NH2-OE2 4Å
110R77.5Confident80.2Confident217 Ų21766.5 Ų66.582%0.81931%0.314SS*.PPolyproline II helixtrans-73.3136167.3-70.9-176.9174.9169.1-1.5108.6F108 T112F108-R110 PolarHBondContact O-N 2.92Å; R110-T112 PolarHBondContact O-N 3.4Å
111A65.9Low80.5Confident68 Ų6855.3 Ų55.356%0.56227%0.272SS*.PPolyproline II helixtrans-55.6136.517500000110.2
112T62.4Low80.7Confident48 Ų4854.9 Ų54.929%0.29427%0.268SS..BIsolated β-bridgetrans-123.5161.8170.7610000108R110 K114 V115R110-T112 PolarHBondContact O-N 3.4Å; T112-K114 PolarHBondContact O-N 2.94Å; T112-V115 PolarHBondContact N-O 3.29Å; T112-V115 VanDerWaalsContact N-O 3.09Å; T112-V115 CarbonylContact O-C 3.59Å; T112-V115 PolarHBondContact O-N 3.06Å; T112-V115 PolarHBondContact OG1-N 3.41Å
113D52.1Low80.9Confident177 Ų17754.2 Ų54.295%0.94726%0.264SS*.THydrogen-bonded Turntrans-52.7-23.1178.5-51.8-40.1000113.6
114K53.5Low80.9Confident181 Ų18154.2 Ų54.279%0.78726%0.264SS*.THydrogen-bonded Turntrans-98.9-18.5-177-59.8-178.3-178.31780114.1T112T112-K114 PolarHBondContact O-N 2.94Å
115V56.7Low80.9Confident25 Ų2554.7 Ų54.715%0.15227%0.27CS..BIsolated β-bridgetrans-144.9102.9-173.4-174.50000109.7T112 D117 P164T112-V115 PolarHBondContact N-O 3.29Å; T112-V115 VanDerWaalsContact N-O 3.09Å; T112-V115 CarbonylContact O-C 3.59Å; T112-V115 PolarHBondContact O-N 3.06Å; T112-V115 PolarHBondContact OG1-N 3.41Å; V115-D117 HydrophobicContact CG1-CB 3.56Å; V115-P164 HydrophobicContact CG2-CB 3.82Å
116R57.7Low80.9Confident225 Ų22555 Ų5585%0.84927%0.27SS*.  trans-96.688.6163.1-65.1-174.1-173.5-164.61.8107.8
117D67.7Low80.8Confident52 Ų5254.5 Ų54.528%0.27827%0.268SS..  trans-144.9131.2-175-157.2-4.8000110.1V115 Q119V115-D117 HydrophobicContact CG1-CB 3.56Å; D117-Q119 HydrophobicContact CB-CG 4.18Å; D117-Q119 PolarHBondContact O-N 3.41Å; D117-Q119 WeakPolarHBondContact OD2-CG 3.35Å; D117-Q119 PolarHBondContact OD2-NE2 2.87Å
118S79.3Confident80.9Confident13 Ų1354 Ų549%0.09126%0.262CS..  trans-76.114.8-171.2330000114.2F108 L120 D133 P134F108-S118 WeakPolarHBondContact CE1-O 3.4Å; S118-L120 PolarHBondContact O-N 2.98Å; S118-D133 WeakPolarHBondContact CB-OD1 3.37Å; S118-D133 VanDerWaalsContact OG-CG 3.32Å; S118-D133 PolarHBondContact OG-OD1 3.4Å; S118-D133 PolarHBondContact OG-OD2 2.97Å; S118-P134 WeakPolarHBondContact O-CD 3.28Å
119Q88.6Confident81Confident26 Ų2653.4 Ų53.412%0.12126%0.259CS..  trans-57.3133.1-170.1-63.7-177.80.200113.6R109 D117 L131 I132R109-Q119 HydrophobicContact CB-CB 4.24Å; R109-Q119 WeakPolarHBondContact CB-O 3.21Å; R109-Q119 VanDerWaalsContact CZ-OE1 3.27Å; R109-Q119 PolarHBondContact N-O 2.79Å; D117-Q119 HydrophobicContact CB-CG 4.18Å; D117-Q119 PolarHBondContact O-N 3.41Å; D117-Q119 WeakPolarHBondContact OD2-CG 3.35Å; D117-Q119 PolarHBondContact OD2-NE2 2.87Å; Q119-L131 HydrophobicContact CB-CD1 3.91Å; Q119-I132 CarbonylContact C-O 3.59Å; Q119-I132 WeakPolarHBondContact CA-O 3.49Å
120L92.8Very high81.3Confident0 Ų055.3 Ų55.30%027%0.268CS..EExtended strand (participates in β ladder)trans-113.9119.3178.6-176.462.4000109.7C66 I73 H106 F108 S118 I122 I132 P134C66-L120 HydrophobicContact CB-CD2 4.1Å; I73-L120 HydrophobicContact CD1-CD2 3.6Å; H106-L120 HydrophobicContact CB-CD1 4.3Å; F108-L120 HydrophobicContact CD1-CB 4.17Å; F108-L120 HydrophobicContact CD1-CD1 3.95Å; F108-L120 HydrophobicContact CD2-CD1 4.03Å; F108-L120 HydrophobicContact CE1-CB 4.08Å; F108-L120 HydrophobicContact CE1-CD1 4.11Å; F108-L120 HydrophobicContact CE1-CG 4.5Å; F108-L120 HydrophobicContact CE2-CD1 4.16Å; F108-L120 HydrophobicContact CG-CD1 3.9Å; F108-L120 HydrophobicContact CZ-CD1 4.2Å; F108-L120 HydrophobicContact CZ-CD2 4.46Å; S118-L120 PolarHBondContact O-N 2.98Å; L120-I122 HydrophobicContact CD2-CD1 4.28Å; L120-I122 HydrophobicContact CD2-CG1 4.4Å; L120-I122 HydrophobicContact CG-CD1 4.41Å; L120-I122 HydrophobicContact CG-CG1 4.09Å; L120-I132 HydrophobicContact CB-CG1 3.96Å; L120-I132 HydrophobicContact CD2-CD1 4.39Å; L120-I132 PolarHBondContact N-O 3.33Å; L120-I132 PolarHBondContact O-N 2.88Å; L120-P134 HydrophobicContact CB-CG 4.45Å
121L95.4Very high82.1Confident0 Ų045.3 Ų45.30%023%0.23CC..EExtended strand (participates in β ladder)trans-86.8133.8173.3-172.466.5000109.1H106 C107 I129 K130 L131 V157 W159 F167H106-L121 CarbonylContact C-O 3.59Å; H106-L121 WeakPolarHBondContact CA-O 3.41Å; H106-L121 WeakPolarHBondContact CB-O 3.47Å; C107-L121 PolarHBondContact N-O 2.91Å; C107-L121 WeakPolarHBondContact O-CB 3.32Å; C107-L121 PolarHBondContact O-N 3.02Å; L121-I129 HydrophobicContact CD1-CG2 3.6Å; L121-I129 HydrophobicContact CG-CG2 4.25Å; L121-K130 CarbonylContact C-O 3.5Å; L121-L131 HydrophobicContact CD1-CD1 4.38Å; L121-V157 HydrophobicContact CD2-CB 3.82Å; L121-V157 HydrophobicContact CD2-CG2 4.26Å; L121-V157 HydrophobicContact CG-CB 4.07Å; L121-V157 HydrophobicContact CG-CG2 4.16Å; L121-W159 HydrophobicContact CB-CZ2 3.96Å; L121-W159 HydrophobicContact CD1-CZ2 4.44Å; L121-W159 HydrophobicContact CD2-CZ2 4.42Å; L121-F167 HydrophobicContact CD1-CD1 4.39Å; L121-F167 HydrophobicContact CD1-CD2 3.86Å; L121-F167 HydrophobicContact CD1-CE1 4.41Å; L121-F167 HydrophobicContact CD1-CE2 3.87Å; L121-F167 HydrophobicContact CD1-CG 4.12Å; L121-F167 HydrophobicContact CD1-CZ 4.15Å; L121-F167 HydrophobicContact CD2-CB 3.56Å; L121-F167 HydrophobicContact CD2-CD2 3.6Å; L121-F167 HydrophobicContact CD2-CE2 4.41Å; L121-F167 HydrophobicContact CD2-CG 3.67Å; L121-F167 HydrophobicContact CG-CD2 4.35Å
122I96.3Very high83.3Confident0 Ų042.2 Ų42.20%020%0.204CC..EExtended strand (participates in β ladder)trans-132.4125-174.2-60.2176.3000109.8I73 F99 L103 H106 L120 L124 I129 K130 I132I73-I122 HydrophobicContact CD1-CD1 3.99Å; I73-I122 HydrophobicContact CD1-CG1 4.48Å; F99-I122 HydrophobicContact CE1-CD1 4.29Å; F99-I122 HydrophobicContact CE2-CD1 4.27Å; F99-I122 HydrophobicContact CZ-CD1 3.61Å; L103-I122 HydrophobicContact CB-CG2 4.48Å; L103-I122 HydrophobicContact CD2-CD1 4.39Å; L103-I122 HydrophobicContact CD2-CG2 3.62Å; L103-I122 HydrophobicContact CG-CG2 3.88Å; H106-I122 HydrophobicContact CB-CG1 4.02Å; L120-I122 HydrophobicContact CD2-CD1 4.28Å; L120-I122 HydrophobicContact CD2-CG1 4.4Å; L120-I122 HydrophobicContact CG-CD1 4.41Å; L120-I122 HydrophobicContact CG-CG1 4.09Å; I122-L124 HydrophobicContact CG2-CD2 3.91Å; I122-L124 HydrophobicContact CG2-CG 4.5Å; I122-I129 CarbonylContact O-C 3.55Å; I122-I129 WeakPolarHBondContact O-CA 3.4Å; I122-I129 WeakPolarHBondContact O-CG2 3.27Å; I122-K130 HydrophobicContact CB-CB 4.48Å; I122-K130 PolarHBondContact N-O 2.82Å; I122-K130 PolarHBondContact O-N 3Å; I122-I132 HydrophobicContact CD1-CD1 3.64Å; I122-I132 HydrophobicContact CD1-CG1 4.02Å; I122-I132 HydrophobicContact CD1-CG2 4.41Å
123G96.5Very high84.6Confident0 Ų040.7 Ų40.70%019%0.194CC..EExtended strand (participates in β ladder)trans-95.5138.516900000112.1T104 S105T104-G123 PolarHBondContact N-O 3.31Å; T104-G123 PolarHBondContact OG1-O 2.61Å; S105-G123 PolarHBondContact O-N 2.77Å
124L95.7Very high86.1Confident0 Ų032.8 Ų32.80%015%0.153CC..EExtended strand (participates in β ladder)trans-116.1151.3-178.7-59.8179.9000112.4F99 A101 P102 L103 I122 N126 G127 E128 K130 V154F99-L124 HydrophobicContact CB-CD1 4.5Å; F99-L124 HydrophobicContact CB-CD2 4.19Å; F99-L124 HydrophobicContact CD1-CD1 4.31Å; F99-L124 HydrophobicContact CD1-CD2 4.36Å; F99-L124 HydrophobicContact CG-CD2 4.24Å; A101-L124 HydrophobicContact CB-CB 4.38Å; P102-L124 WeakPolarHBondContact O-CA 3.22Å; L103-L124 HydrophobicContact CB-CD2 4.37Å; L103-L124 HydrophobicContact CD1-CD2 4.41Å; L103-L124 HydrophobicContact CG-CD2 3.84Å; I122-L124 HydrophobicContact CG2-CD2 3.91Å; I122-L124 HydrophobicContact CG2-CG 4.5Å; L124-N126 WeakPolarHBondContact CB-OD1 3.48Å; L124-N126 PolarHBondContact O-N 3.09Å; L124-G127 PolarHBondContact O-N 3.07Å; L124-G127 VanDerWaalsContact O-N 3.14Å; L124-E128 WeakPolarHBondContact CB-O 3.4Å; L124-E128 HydrophobicContact CD1-CB 4.15Å; L124-E128 PolarHBondContact N-O 2.89Å; L124-K130 HydrophobicContact CD1-CD 4.36Å; L124-K130 HydrophobicContact CD1-CG 4.47Å; L124-V154 PolarHBondContact O-N 3.39Å
125A94.6Very high87.3Confident31 Ų3127.4 Ų27.426%0.25613%0.132SC..THydrogen-bonded Turntrans-67-4.9-18000000114.5P102 T104 P153P102-A125 HydrophobicContact CB-CB 4.13Å; P102-A125 HydrophobicContact CG-CB 4.35Å; P102-A125 PolarHBondContact O-N 3.02Å; T104-A125 HydrophobicContact CG2-CB 3.77Å; A125-P153 WeakPolarHBondContact O-CG 3.5Å
126N94Very high88.4Confident23 Ų2330.4 Ų30.412%0.12314%0.143CC..THydrogen-bonded Turntrans-101.36.6176.569.4-15.5000113.7A101 L124 E128 K147A101-N126 HydrophobicContact CB-CB 3.74Å; L124-N126 WeakPolarHBondContact CB-OD1 3.48Å; L124-N126 PolarHBondContact O-N 3.09Å; N126-E128 PolarHBondContact ND2-OE2 3.23Å; N126-E128 WeakPolarHBondContact OD1-CB 3.16Å; N126-E128 PolarHBondContact OD1-N 2.91Å; N126-E128 VanDerWaalsContact OD1-N 3.12Å; N126-K147 VanDerWaalsContact O-CD 3.3Å; N126-K147 WeakPolarHBondContact O-CD 3.45Å; N126-K147 WeakPolarHBondContact O-CE 3.47Å
127G94.8Very high88.9Confident0 Ų029.1 Ų29.10%015%0.147CC..SBendtrans89.5-10.7-178.200000115L124 N144 T152L124-G127 PolarHBondContact O-N 3.07Å; L124-G127 VanDerWaalsContact O-N 3.14Å; G127-N144 PolarHBondContact O-ND2 3.14Å; G127-T152 WeakPolarHBondContact CA-O 3.48Å
128E95.6Very high88.8Confident29 Ų2932.6 Ų32.614%0.13617%0.165CC..  trans-75.1147.7178.2-66.9172.4166.100111.5L124 N126L124-E128 WeakPolarHBondContact CB-O 3.4Å; L124-E128 HydrophobicContact CD1-CB 4.15Å; L124-E128 PolarHBondContact N-O 2.89Å; N126-E128 PolarHBondContact ND2-OE2 3.23Å; N126-E128 WeakPolarHBondContact OD1-CB 3.16Å; N126-E128 PolarHBondContact OD1-N 2.91Å; N126-E128 VanDerWaalsContact OD1-N 3.12Å
129I96.3Very high87.9Confident0 Ų037.3 Ų37.30%020%0.195CC..EExtended strand (participates in β ladder)trans-119.9137.6171.9-51.396.8000108.4L121 I122 V142 F143 N144 V154 F167 V169 Y179L121-I129 HydrophobicContact CD1-CG2 3.6Å; L121-I129 HydrophobicContact CG-CG2 4.25Å; I122-I129 CarbonylContact O-C 3.55Å; I122-I129 WeakPolarHBondContact O-CA 3.4Å; I122-I129 WeakPolarHBondContact O-CG2 3.27Å; I129-V142 WeakPolarHBondContact O-CA 3.15Å; I129-F143 HydrophobicContact CB-CB 4.26Å; I129-F143 PolarHBondContact N-O 3.31Å; I129-F143 PolarHBondContact O-N 3.45Å; I129-N144 HydrophobicContact CD1-CB 3.96Å; I129-V154 HydrophobicContact CD1-CG2 4.46Å; I129-V154 HydrophobicContact CG1-CG2 4.06Å; I129-F167 HydrophobicContact CG2-CE2 4.03Å; I129-V169 HydrophobicContact CD1-CG1 4.1Å; I129-V169 HydrophobicContact CD1-CG2 4.29Å; I129-V169 HydrophobicContact CG1-CG1 3.87Å; I129-V169 HydrophobicContact CG1-CG2 3.98Å; I129-V169 HydrophobicContact CG2-CG2 4.5Å; I129-Y179 HydrophobicContact CD1-CE2 4.28Å
130K94.6Very high87.5Confident47 Ų4739.8 Ų39.820%0.20421%0.209CC..EExtended strand (participates in β ladder)trans-123.6144.1177.8-69.2-167.5170.1-152.90111.7F99 L121 I122 L124 I132 K141 V142F99-K130 HydrophobicContact CD1-CD 3.72Å; F99-K130 HydrophobicContact CE1-CD 3.62Å; L121-K130 CarbonylContact C-O 3.5Å; I122-K130 HydrophobicContact CB-CB 4.48Å; I122-K130 PolarHBondContact N-O 2.82Å; I122-K130 PolarHBondContact O-N 3Å; L124-K130 HydrophobicContact CD1-CD 4.36Å; L124-K130 HydrophobicContact CD1-CG 4.47Å; K130-I132 HydrophobicContact CB-CG2 4.37Å; K130-K141 WeakPolarHBondContact CA-O 3.4Å; K130-V142 HydrophobicContact CD-CG2 4.48Å; K130-V142 HydrophobicContact CG-CG1 4.43Å; K130-V142 HydrophobicContact CG-CG2 4.26Å
131L93.8Very high87.4Confident6 Ų643.9 Ų43.93%0.03123%0.227CC..EExtended strand (participates in β ladder)trans-118.6121.4171.4-177.766.4000107.5Q119 L121 N140 K141 F143 W159 E181Q119-L131 HydrophobicContact CB-CD1 3.91Å; L121-L131 HydrophobicContact CD1-CD1 4.38Å; L131-N140 WeakPolarHBondContact O-CA 3.42Å; L131-K141 HydrophobicContact CB-CB 4.23Å; L131-K141 HydrophobicContact CD2-CD 4.15Å; L131-K141 PolarHBondContact N-O 3.09Å; L131-K141 PolarHBondContact O-N 2.72Å; L131-F143 HydrophobicContact CB-CE2 4.04Å; L131-W159 HydrophobicContact CD1-CH2 3.8Å; L131-W159 HydrophobicContact CD1-CZ2 3.49Å; L131-W159 VanDerWaalsContact CD1-CZ2 3.49Å; L131-W159 HydrophobicContact CD2-CH2 4.35Å; L131-E181 HydrophobicContact CD2-CB 4.26Å
132I91.7Very high87.3Confident3 Ų346.1 Ų46.12%0.01524%0.241CC..EExtended strand (participates in β ladder)trans-130.3155.7-175.476.7167.7000109.2I97 Q119 L120 I122 K130 N140I97-I132 HydrophobicContact CD1-CD1 3.66Å; Q119-I132 CarbonylContact C-O 3.59Å; Q119-I132 WeakPolarHBondContact CA-O 3.49Å; L120-I132 HydrophobicContact CB-CG1 3.96Å; L120-I132 HydrophobicContact CD2-CD1 4.39Å; L120-I132 PolarHBondContact N-O 3.33Å; L120-I132 PolarHBondContact O-N 2.88Å; I122-I132 HydrophobicContact CD1-CD1 3.64Å; I122-I132 HydrophobicContact CD1-CG1 4.02Å; I122-I132 HydrophobicContact CD1-CG2 4.41Å; K130-I132 HydrophobicContact CB-CG2 4.37Å; I132-N140 WeakPolarHBondContact CB-OD1 3.49Å; I132-N140 HydrophobicContact CG2-CB 4.44Å; I132-N140 WeakPolarHBondContact CG2-OD1 3.35Å
133D88.2Confident87.2Confident16 Ų1646.5 Ų46.59%0.08624%0.243CC..  trans-101.5115159.3-178.8-1.5000107.7S118 L135 K136S118-D133 WeakPolarHBondContact CB-OD1 3.37Å; S118-D133 VanDerWaalsContact OG-CG 3.32Å; S118-D133 PolarHBondContact OG-OD1 3.4Å; S118-D133 PolarHBondContact OG-OD2 2.97Å; D133-L135 PolarHBondContact O-N 3.04Å; D133-L135 VanDerWaalsContact O-N 3.1Å; D133-L135 PolarHBondContact OD1-N 2.7Å; D133-L135 VanDerWaalsContact OD1-N 3.1Å; D133-K136 HydrophobicContact CB-CB 4.21Å; D133-K136 PolarHBondContact O-N 3.24Å; D133-K136 WeakPolarHBondContact OD2-CD 3.49Å; D133-K136 WeakPolarHBondContact OD2-CE 3.44Å; D133-K136 VanDerWaalsContact OD2-CG 3.22Å; D133-K136 WeakPolarHBondContact OD2-CG 3.48Å; D133-K136 IonicContact OD2-NZ 2.74Å
134P84.4Confident87.1Confident12 Ų1246.5 Ų46.58%0.07824%0.243CC..THydrogen-bonded Turntrans-68.4-6.3-177.728.7-33.8000114I75 F108 S118 L120I75-P134 HydrophobicContact CD1-CB 3.6Å; I75-P134 HydrophobicContact CG1-CB 3.86Å; I75-P134 HydrophobicContact CG2-CB 3.97Å; F108-P134 HydrophobicContact CE1-CG 3.79Å; F108-P134 HydrophobicContact CZ-CG 4.21Å; S118-P134 WeakPolarHBondContact O-CD 3.28Å; L120-P134 HydrophobicContact CB-CG 4.45Å
135L79.3Confident86.8Confident67 Ų6753.1 Ų53.135%0.35127%0.274SS..THydrogen-bonded Turntrans-99.8-12.4176-62.3179.8000114.2Y46 I64 T77 D133Y46-L135 HydrophobicContact CD2-CD1 3.47Å; Y46-L135 VanDerWaalsContact CD2-CD1 3.47Å; Y46-L135 HydrophobicContact CE2-CD1 3.86Å; Y46-L135 HydrophobicContact CE2-CD2 4.28Å; Y46-L135 HydrophobicContact CG-CD1 4.33Å; I64-L135 HydrophobicContact CD1-CD1 3.88Å; I64-L135 HydrophobicContact CD1-CD2 3.65Å; I64-L135 HydrophobicContact CD1-CG 3.78Å; T77-L135 HydrophobicContact CG2-CD2 4.25Å; D133-L135 PolarHBondContact O-N 3.04Å; D133-L135 VanDerWaalsContact O-N 3.1Å; D133-L135 PolarHBondContact OD1-N 2.7Å; D133-L135 VanDerWaalsContact OD1-N 3.1Å
136K79.1Confident86.5Confident89 Ų8954.7 Ų54.739%0.38729%0.293SS..  trans-124.9148-175.6-60.1178.8-166.6176.10110.1E50 D133 D138E50-K136 IonicContact OE1-NZ 2.75Å; E50-K136 PolarHBondContact OE1-NZ 3.02Å; E50-K136 IonicContact OE2-NZ 3.62Å; E50-K136 PolarHBondContact OE2-NZ 3.4Å; D133-K136 HydrophobicContact CB-CB 4.21Å; D133-K136 PolarHBondContact O-N 3.24Å; D133-K136 WeakPolarHBondContact OD2-CD 3.49Å; D133-K136 WeakPolarHBondContact OD2-CE 3.44Å; D133-K136 VanDerWaalsContact OD2-CG 3.22Å; D133-K136 WeakPolarHBondContact OD2-CG 3.48Å; D133-K136 IonicContact OD2-NZ 2.74Å; K136-D138 PolarHBondContact O-N 3.09Å
137E68.2Low86.4Confident198 Ų19858 Ų5893%0.92531%0.306SS*.  trans-82.6-4.1176.5-60.9-167.6150.800113.2
138D65.6Low86.2Confident125 Ų12560.1 Ų60.167%0.66832%0.321SS*.SBendtrans-103.9171.4-166.7-107.6-30.3000113.9K136K136-D138 PolarHBondContact O-N 3.09Å
139P61.6Low86.1Confident111 Ų11159.6 Ų59.672%0.72132%0.32SS*.  -65.1120.8-111.428.2-37.6000115.5K141P139-K141 PolarHBondContact O-N 3.42Å
140N79.6Confident85.9Confident78 Ų7860.3 Ų60.342%0.41732%0.324SS..  trans-62.8111.5167.6-59.5-72.7000111.2L131 I132L131-N140 WeakPolarHBondContact O-CA 3.42Å; I132-N140 WeakPolarHBondContact CB-OD1 3.49Å; I132-N140 HydrophobicContact CG2-CB 4.44Å; I132-N140 WeakPolarHBondContact CG2-OD1 3.35Å
141K90.7Very high85.9Confident86 Ų8665.2 Ų65.237%0.37435%0.347SS..EExtended strand (participates in β ladder)trans-75.7140.3167-58.3-176.5-168.1165.80109.3K130 L131 P139 F143 E181K130-K141 WeakPolarHBondContact CA-O 3.4Å; L131-K141 HydrophobicContact CB-CB 4.23Å; L131-K141 HydrophobicContact CD2-CD 4.15Å; L131-K141 PolarHBondContact N-O 3.09Å; L131-K141 PolarHBondContact O-N 2.72Å; P139-K141 PolarHBondContact O-N 3.42Å; K141-F143 HydrophobicContact CB-CE2 3.92Å; K141-F143 HydrophobicContact CB-CZ 4.18Å; K141-F143 HydrophobicContact CD-CZ 4.13Å; K141-E181 PolarHBondContact NZ-O 3.49Å; K141-E181 IonicContact NZ-OE2 2.74Å; K141-E181 PolarHBondContact NZ-OE2 2.83Å
142V92.6Very high86Confident47 Ų4766.7 Ų66.729%0.28536%0.357SS..EExtended strand (participates in β ladder)trans-118.3132.8174.2-170.70000108.9I129 K130 E145I129-V142 WeakPolarHBondContact O-CA 3.15Å; K130-V142 HydrophobicContact CD-CG2 4.48Å; K130-V142 HydrophobicContact CG-CG1 4.43Å; K130-V142 HydrophobicContact CG-CG2 4.26Å; V142-E145 HydrophobicContact CG1-CB 4.06Å
143F94.8Very high86.2Confident9 Ų969 Ų694%0.03937%0.372CS..EExtended strand (participates in β ladder)trans-117.6152.9172.7-51.4-97.7000108.9I129 L131 K141 E145 F167 Y179 E181I129-F143 HydrophobicContact CB-CB 4.26Å; I129-F143 PolarHBondContact N-O 3.31Å; I129-F143 PolarHBondContact O-N 3.45Å; L131-F143 HydrophobicContact CB-CE2 4.04Å; K141-F143 HydrophobicContact CB-CE2 3.92Å; K141-F143 HydrophobicContact CB-CZ 4.18Å; K141-F143 HydrophobicContact CD-CZ 4.13Å; F143-E145 PolarHBondContact O-N 3.29Å; F143-F167 HydrophobicContact CD1-CZ 4.03Å; F143-F167 HydrophobicContact CD2-CE1 4.48Å; F143-F167 AromaticContact CD2-CZ 3.71Å; F143-F167 HydrophobicContact CD2-CZ 3.71Å; F143-F167 HydrophobicContact CE1-CE1 4.23Å; F143-F167 HydrophobicContact CE1-CZ 4.04Å; F143-F167 HydrophobicContact CE2-CE1 4.05Å; F143-F167 AromaticContact CE2-CZ 3.73Å; F143-F167 HydrophobicContact CE2-CZ 3.73Å; F143-F167 AromaticContact CG-CZ 3.87Å; F143-F167 HydrophobicContact CG-CZ 3.87Å; F143-F167 AromaticContact CZ-CE1 3.91Å; F143-F167 HydrophobicContact CZ-CE1 3.91Å; F143-F167 AromaticContact CZ-CZ 3.9Å; F143-F167 HydrophobicContact CZ-CZ 3.9Å; F143-Y179 HydrophobicContact CB-CD1 4.21Å; F143-Y179 HydrophobicContact CB-CE1 4.1Å; F143-Y179 AromaticContact CD1-CD1 3.99Å; F143-Y179 HydrophobicContact CD1-CD1 3.99Å; F143-Y179 HydrophobicContact CG-CD1 4.41Å; F143-E181 HydrophobicContact CZ-CB 4.2Å
144N94.3Very high86.6Confident0 Ų068.3 Ų68.30%037%0.368CS..SBendtrans55.132.4-168.4-163.626.4000114.1G127 I129 G146 K147 S148 V149 D150 Q185G127-N144 PolarHBondContact O-ND2 3.14Å; I129-N144 HydrophobicContact CD1-CB 3.96Å; N144-G146 PolarHBondContact O-N 2.95Å; N144-K147 WeakPolarHBondContact O-CA 3.29Å; N144-K147 PolarHBondContact O-N 3.41Å; N144-K147 VanDerWaalsContact OD1-C 3.3Å; N144-K147 WeakPolarHBondContact OD1-CA 3.42Å; N144-S148 PolarHBondContact OD1-N 2.94Å; N144-S148 VanDerWaalsContact OD1-N 3.15Å; N144-V149 WeakPolarHBondContact OD1-CB 3.45Å; N144-V149 PolarHBondContact OD1-N 3.15Å; N144-D150 PolarHBondContact ND2-O 3.14Å; N144-Q185 VanDerWaalsContact CA-OE1 3.3Å
145E89.8Confident87.1Confident139 Ų13969.1 Ų69.165%0.6537%0.373SS*.G310 helixtrans-59.2133.9173-170.6171-149.700110.2V142 F143 K147V142-E145 HydrophobicContact CG1-CB 4.06Å; F143-E145 PolarHBondContact O-N 3.29Å; E145-K147 PolarHBondContact O-N 3.02Å
146G87.7Confident88Confident64 Ų6466.5 Ų66.566%0.6636%0.36SS*.G310 helixtrans71.68.4-172.600000115N144 S148N144-G146 PolarHBondContact O-N 2.95Å; G146-S148 PolarHBondContact O-N 3.36Å
147K91Very high88.9Confident92 Ų9262.5 Ų62.540%0.434%0.343SS..G310 helixtrans59.430171.3-48.3178.6-173-177.40114.7N126 N144 E145 V149 E151N126-K147 VanDerWaalsContact O-CD 3.3Å; N126-K147 WeakPolarHBondContact O-CD 3.45Å; N126-K147 WeakPolarHBondContact O-CE 3.47Å; N144-K147 WeakPolarHBondContact O-CA 3.29Å; N144-K147 PolarHBondContact O-N 3.41Å; N144-K147 VanDerWaalsContact OD1-C 3.3Å; N144-K147 WeakPolarHBondContact OD1-CA 3.42Å; E145-K147 PolarHBondContact O-N 3.02Å; K147-V149 VanDerWaalsContact C-N 3.33Å; K147-V149 PolarHBondContact O-N 2.92Å; K147-E151 HydrophobicContact CB-CB 4.16Å; K147-E151 HydrophobicContact CD-CB 4.43Å
148S90.5Very high90.3Very high44 Ų4453.6 Ų53.631%0.30830%0.304SS..  trans-80.6-9-172.456.30000114.9N144 G146 Q185N144-S148 PolarHBondContact OD1-N 2.94Å; N144-S148 VanDerWaalsContact OD1-N 3.15Å; G146-S148 PolarHBondContact O-N 3.36Å; S148-Q185 PolarHBondContact OG-NE2 3.14Å
149V93.4Very high91.6Very high19 Ų1948.9 Ų48.912%0.11528%0.277CS..SBendtrans-98.9-50.8175.1174.60000110.6N144 K147 Y177 Q185 P189 P213N144-V149 WeakPolarHBondContact OD1-CB 3.45Å; N144-V149 PolarHBondContact OD1-N 3.15Å; K147-V149 VanDerWaalsContact C-N 3.33Å; K147-V149 PolarHBondContact O-N 2.92Å; V149-Y177 HydrophobicContact CG1-CD1 3.53Å; V149-Y177 HydrophobicContact CG1-CD2 4.35Å; V149-Y177 HydrophobicContact CG1-CE1 3.38Å; V149-Y177 HydrophobicContact CG1-CE2 4.25Å; V149-Y177 HydrophobicContact CG1-CG 4.02Å; V149-Q185 VanDerWaalsContact CG2-NE2 3.27Å; V149-P189 HydrophobicContact CG2-CG 4.01Å; V149-P213 HydrophobicContact CG1-CG 4.04Å; V149-P213 HydrophobicContact CG2-CG 4.28Å
150D93.9Very high93.2Very high15 Ų1544 Ų448%0.0825%0.245CC..  trans-153.6132.1178.9-156.5-54.9000109.1N144 T152 H171 S173 Y177N144-D150 PolarHBondContact ND2-O 3.14Å; D150-T152 WeakPolarHBondContact OD1-CB 3.49Å; D150-T152 PolarHBondContact OD1-N 3.01Å; D150-T152 PolarHBondContact OD1-OG1 3.38Å; D150-H171 IonicContact OD1-ND1 3.16Å; D150-S173 WeakPolarHBondContact OD2-CB 3.47Å; D150-S173 PolarHBondContact OD2-OG 2.91Å; D150-Y177 HydrophobicContact CB-CE2 3.73Å; D150-Y177 WeakPolarHBondContact OD2-CE2 3.5Å; D150-Y177 PolarHBondContact OD2-OH 2.82Å
151E94.5Very high93.8Very high150 Ų15042.3 Ų42.370%0.70124%0.238SC*.  trans-95.7-6.7179.764.5179.3174.500113.7K147K147-E151 HydrophobicContact CB-CB 4.16Å; K147-E151 HydrophobicContact CD-CB 4.43Å
152T94.8Very high93.5Very high37 Ų3745.6 Ų45.623%0.22725%0.254CS..SBendtrans-82.4153.9-176.869.50000111.9G127 D150 V154 H171 S173G127-T152 WeakPolarHBondContact CA-O 3.48Å; D150-T152 WeakPolarHBondContact OD1-CB 3.49Å; D150-T152 PolarHBondContact OD1-N 3.01Å; D150-T152 PolarHBondContact OD1-OG1 3.38Å; T152-V154 PolarHBondContact O-N 3.36Å; T152-H171 PolarHBondContact O-ND1 3.42Å; T152-H171 WeakPolarHBondContact OG1-CB 3.09Å; T152-S173 VanDerWaalsContact OG1-CB 3.28Å; T152-S173 WeakPolarHBondContact OG1-CB 3.48Å; T152-S173 PolarHBondContact OG1-N 3.5Å; T152-S173 VanDerWaalsContact OG1-N 3.14Å
153P95.4Very high93.3Very high52 Ų5244.4 Ų44.434%0.33825%0.248SC..PPolyproline II helixtrans-47.7132.8177.5-2931.9000113.6A125 T155 H171 S172A125-P153 WeakPolarHBondContact O-CG 3.5Å; P153-T155 PolarHBondContact O-N 3.48Å; P153-H171 WeakPolarHBondContact O-CA 3.27Å; P153-S172 WeakPolarHBondContact CD-OG 3.43Å; P153-S172 PolarHBondContact O-N 2.82Å
154V97Very high92.9Very high1 Ų145.6 Ų45.61%0.00626%0.257CS..EExtended strand (participates in β ladder)trans-64133.3163.8178.30000108T104 L124 I129 T152 V157 V169 S170T104-V154 WeakPolarHBondContact CB-O 3.37Å; T104-V154 WeakPolarHBondContact CG2-O 2.94Å; T104-V154 PolarHBondContact OG1-O 2.78Å; L124-V154 PolarHBondContact O-N 3.39Å; I129-V154 HydrophobicContact CD1-CG2 4.46Å; I129-V154 HydrophobicContact CG1-CG2 4.06Å; T152-V154 PolarHBondContact O-N 3.36Å; V154-V157 HydrophobicContact CG1-CG1 3.64Å; V154-V169 HydrophobicContact CB-CG1 4.45Å; V154-V169 HydrophobicContact CG1-CG1 3.65Å; V154-V169 HydrophobicContact CG2-CG1 4.05Å; V154-S170 CarbonylContact C-O 3.56Å; V154-S170 WeakPolarHBondContact CA-O 3.1Å
155T96.2Very high92.8Very high28 Ų2848.8 Ų48.817%0.17227%0.272CS..EExtended strand (participates in β ladder)trans-104.8-36.3179.4560000112.4P153 S170 I274P153-T155 PolarHBondContact O-N 3.48Å; T155-S170 PolarHBondContact N-O 3.02Å; T155-S170 PolarHBondContact OG1-O 3.28Å; T155-S170 PolarHBondContact OG1-OG 2.84Å; T155-I274 WeakPolarHBondContact CB-O 3.3Å; T155-I274 VanDerWaalsContact CG2-O 3.27Å; T155-I274 WeakPolarHBondContact CG2-O 3.39Å; T155-I274 PolarHBondContact OG1-O 2.81Å
156C97.8Very high93Very high12 Ų1244.6 Ų44.68%0.08125%0.252CS..EExtended strand (participates in β ladder)trans-147.8146.4177.6-167.60000110.9S170 F277C156-S170 VanDerWaalsContact CB-OG 3.31Å; C156-S170 WeakPolarHBondContact CB-OG 3.41Å; C156-S170 PolarHBondContact N-OG 3.02Å; C156-S170 PolarHBondContact O-N 3.45Å; C156-F277 HydrophobicContact CB-CD1 3.7Å; C156-F277 HydrophobicContact CB-CE1 3.64Å; C156-F277 WeakPolarHBondContact O-CE1 3.2Å
157V97.9Very high93.4Very high6 Ų641.6 Ų41.64%0.03622%0.221CC..EExtended strand (participates in β ladder)trans-128.1143.9171.2-61.10000109.8S105 C107 L121 V154 V169S105-V157 PolarHBondContact OG-N 2.96Å; C107-V157 HydrophobicContact CB-CG2 4.17Å; L121-V157 HydrophobicContact CD2-CB 3.82Å; L121-V157 HydrophobicContact CD2-CG2 4.26Å; L121-V157 HydrophobicContact CG-CB 4.07Å; L121-V157 HydrophobicContact CG-CG2 4.16Å; V154-V157 HydrophobicContact CG1-CG1 3.64Å; V157-V169 HydrophobicContact CG1-CG1 4.26Å; V157-V169 HydrophobicContact CG1-CG2 4.43Å
158G96.3Very high93.8Very high10 Ų1037.2 Ų37.210%0.10320%0.202CC..EExtended strand (participates in β ladder)trans-162.8137.1179.200000113.1F167 L168G158-F167 WeakPolarHBondContact O-CA 3.2Å; G158-L168 PolarHBondContact N-O 3.44Å; G158-L168 PolarHBondContact O-N 2.9Å
159W95Very high94.1Very high27 Ų2735.1 Ų35.110%0.10219%0.187CC..EExtended strand (participates in β ladder)trans-66.9140.8172.8-67.198.6000111.1C107 R109 L121 L131 P161 F167C107-W159 PolarHBondContact O-NE1 2.83Å; R109-W159 HydrophobicContact CB-CZ2 4.42Å; R109-W159 VanDerWaalsContact CZ-CH2 3.48Å; R109-W159 VanDerWaalsContact NH2-CZ3 3.3Å; L121-W159 HydrophobicContact CB-CZ2 3.96Å; L121-W159 HydrophobicContact CD1-CZ2 4.44Å; L121-W159 HydrophobicContact CD2-CZ2 4.42Å; L131-W159 HydrophobicContact CD1-CH2 3.8Å; L131-W159 HydrophobicContact CD1-CZ2 3.49Å; L131-W159 VanDerWaalsContact CD1-CZ2 3.49Å; L131-W159 HydrophobicContact CD2-CH2 4.35Å; W159-P161 WeakPolarHBondContact O-CD 3.3Å; W159-F167 HydrophobicContact CD2-CB 4.19Å; W159-F167 HydrophobicContact CE3-CB 3.79Å; W159-F167 HydrophobicContact CE3-CD1 4.38Å; W159-F167 AromaticContact CH2-CD1 3.95Å; W159-F167 HydrophobicContact CH2-CD1 3.95Å; W159-F167 HydrophobicContact CZ3-CB 3.99Å; W159-F167 AromaticContact CZ3-CD1 3.69Å; W159-F167 HydrophobicContact CZ3-CD1 3.69Å; W159-F167 HydrophobicContact CZ3-CG 4.26Å
160V94.8Very high94.3Very high9 Ų934.2 Ų34.26%0.05518%0.182CC..PPolyproline II helixtrans-73.4123.1174.5178.10000108.4H162 S163 Q166 L178 F279 Y300V160-H162 PolarHBondContact O-N 3.03Å; V160-S163 WeakPolarHBondContact O-CB 3.28Å; V160-S163 PolarHBondContact O-N 3.12Å; V160-S163 VanDerWaalsContact O-N 3.08Å; V160-Q166 HydrophobicContact CB-CB 4.22Å; V160-Q166 WeakPolarHBondContact CB-O 3.47Å; V160-Q166 HydrophobicContact CG2-CB 3.99Å; V160-Q166 PolarHBondContact N-O 2.97Å; V160-L178 HydrophobicContact CG2-CD1 3.65Å; V160-F279 HydrophobicContact CB-CZ 4.41Å; V160-F279 HydrophobicContact CG1-CZ 4.46Å; V160-F279 HydrophobicContact CG2-CE2 4.35Å; V160-F279 HydrophobicContact CG2-CZ 3.95Å; V160-Y300 HydrophobicContact CG1-CE1 3.63Å; V160-Y300 WeakPolarHBondContact CG2-OH 3.21Å
161P91.3Very high94.4Very high41 Ų4133.5 Ų33.527%0.26618%0.178SC..THydrogen-bonded Turntrans-54.7141179.2-27.836.4000112.3W159 S163 F279W159-P161 WeakPolarHBondContact O-CD 3.3Å; P161-S163 PolarHBondContact O-N 3.14Å; P161-F279 VanDerWaalsContact CD-CG 3.46Å; P161-F279 HydrophobicContact CG-CB 3.63Å; P161-F279 HydrophobicContact CG-CD1 4.24Å; P161-F279 HydrophobicContact CG-CD2 4.34Å; P161-F279 HydrophobicContact CG-CG 3.84Å
162H84.5Confident94.4Very high155 Ų15528.4 Ų28.472%0.71816%0.159SC*.THydrogen-bonded Turntrans62.41.3-176.5-41102.6000115.8V160V160-H162 PolarHBondContact O-N 3.03Å
163S88.8Confident94.3Very high23 Ų2327.6 Ų27.616%0.16116%0.155CC..  trans-97.9122.7173.8-1680000111.1V160 P161 H165 Q166V160-S163 WeakPolarHBondContact O-CB 3.28Å; V160-S163 PolarHBondContact O-N 3.12Å; V160-S163 VanDerWaalsContact O-N 3.08Å; P161-S163 PolarHBondContact O-N 3.14Å; S163-H165 VanDerWaalsContact C-N 3.25Å; S163-H165 PolarHBondContact O-N 2.81Å; S163-Q166 VanDerWaalsContact OG-CB 3.29Å; S163-Q166 WeakPolarHBondContact OG-CB 3.49Å; S163-Q166 WeakPolarHBondContact OG-CG 3.49Å; S163-Q166 PolarHBondContact OG-N 2.92Å
164P86.4Confident94.2Very high34 Ų3425.1 Ų25.122%0.22114%0.138CC..SBendtrans-75-12.8178.430.7-35000113.1R109 V115R109-P164 PolarHBondContact NH1-O 3.22Å; R109-P164 PolarHBondContact NH2-O 3.15Å; V115-P164 HydrophobicContact CG2-CB 3.82Å
165H90.8Very high94.2Very high66 Ų6625.2 Ų25.231%0.30614%0.139SC..SBendtrans-132.2-14.5-170.4-61.7-43.8000115S163 D180 E181 T182S163-H165 VanDerWaalsContact C-N 3.25Å; S163-H165 PolarHBondContact O-N 2.81Å; H165-D180 WeakPolarHBondContact O-CA 3.12Å; H165-E181 HydrophobicContact CB-CG 3.84Å; H165-E181 IonicContact CE1-OE1 3.45Å; H165-E181 IonicContact CG-OE1 2.67Å; H165-E181 IonicContact ND1-OE1 3.5Å; H165-E181 PolarHBondContact ND1-OE1 2.84Å; H165-E181 PolarHBondContact O-N 2.97Å; H165-T182 HydrophobicContact CB-CG2 4.1Å
166Q94.6Very high94.2Very high52 Ų5223.9 Ų23.924%0.24313%0.131CC..EExtended strand (participates in β ladder)trans-101.5140-171.8-62.4173.9-5.400113.2V160 S163 L178 Y179 D180V160-Q166 HydrophobicContact CB-CB 4.22Å; V160-Q166 WeakPolarHBondContact CB-O 3.47Å; V160-Q166 HydrophobicContact CG2-CB 3.99Å; V160-Q166 PolarHBondContact N-O 2.97Å; S163-Q166 VanDerWaalsContact OG-CB 3.29Å; S163-Q166 WeakPolarHBondContact OG-CB 3.49Å; S163-Q166 WeakPolarHBondContact OG-CG 3.49Å; S163-Q166 PolarHBondContact OG-N 2.92Å; Q166-L178 HydrophobicContact CB-CD1 4.08Å; Q166-Y179 VanDerWaalsContact CA-O 3.23Å; Q166-Y179 WeakPolarHBondContact CA-O 3.49Å; Q166-D180 HydrophobicContact CG-CB 4.06Å; Q166-D180 WeakPolarHBondContact CG-OD2 3.48Å; Q166-D180 PolarHBondContact NE2-OD2 3.34Å
167F96.7Very high94.2Very high0 Ų023.6 Ų23.60%013%0.128CC..EExtended strand (participates in β ladder)trans-138.4147.4175.860.5-87.9000111L121 I129 F143 G158 W159 V169 Y179 E181L121-F167 HydrophobicContact CD1-CD1 4.39Å; L121-F167 HydrophobicContact CD1-CD2 3.86Å; L121-F167 HydrophobicContact CD1-CE1 4.41Å; L121-F167 HydrophobicContact CD1-CE2 3.87Å; L121-F167 HydrophobicContact CD1-CG 4.12Å; L121-F167 HydrophobicContact CD1-CZ 4.15Å; L121-F167 HydrophobicContact CD2-CB 3.56Å; L121-F167 HydrophobicContact CD2-CD2 3.6Å; L121-F167 HydrophobicContact CD2-CE2 4.41Å; L121-F167 HydrophobicContact CD2-CG 3.67Å; L121-F167 HydrophobicContact CG-CD2 4.35Å; I129-F167 HydrophobicContact CG2-CE2 4.03Å; F143-F167 HydrophobicContact CD1-CZ 4.03Å; F143-F167 HydrophobicContact CD2-CE1 4.48Å; F143-F167 AromaticContact CD2-CZ 3.71Å; F143-F167 HydrophobicContact CD2-CZ 3.71Å; F143-F167 HydrophobicContact CE1-CE1 4.23Å; F143-F167 HydrophobicContact CE1-CZ 4.04Å; F143-F167 HydrophobicContact CE2-CE1 4.05Å; F143-F167 AromaticContact CE2-CZ 3.73Å; F143-F167 HydrophobicContact CE2-CZ 3.73Å; F143-F167 AromaticContact CG-CZ 3.87Å; F143-F167 HydrophobicContact CG-CZ 3.87Å; F143-F167 AromaticContact CZ-CE1 3.91Å; F143-F167 HydrophobicContact CZ-CE1 3.91Å; F143-F167 AromaticContact CZ-CZ 3.9Å; F143-F167 HydrophobicContact CZ-CZ 3.9Å; G158-F167 WeakPolarHBondContact O-CA 3.2Å; W159-F167 HydrophobicContact CD2-CB 4.19Å; W159-F167 HydrophobicContact CE3-CB 3.79Å; W159-F167 HydrophobicContact CE3-CD1 4.38Å; W159-F167 AromaticContact CH2-CD1 3.95Å; W159-F167 HydrophobicContact CH2-CD1 3.95Å; W159-F167 HydrophobicContact CZ3-CB 3.99Å; W159-F167 AromaticContact CZ3-CD1 3.69Å; W159-F167 HydrophobicContact CZ3-CD1 3.69Å; W159-F167 HydrophobicContact CZ3-CG 4.26Å; F167-V169 HydrophobicContact CD2-CG2 3.69Å; F167-V169 HydrophobicContact CE2-CG2 3.78Å; F167-Y179 HydrophobicContact CD2-CD2 4.47Å; F167-Y179 VanDerWaalsContact CE2-CB 3.47Å; F167-Y179 AromaticContact CE2-CD2 3.88Å; F167-Y179 HydrophobicContact CE2-CD2 3.88Å; F167-Y179 AromaticContact CE2-CG 3.81Å; F167-Y179 HydrophobicContact CE2-CG 3.81Å; F167-Y179 HydrophobicContact CZ-CD2 4.42Å; F167-Y179 AromaticContact CZ-CG 3.88Å; F167-Y179 HydrophobicContact CZ-CG 3.88Å; F167-Y179 PolarHBondContact N-O 2.88Å; F167-Y179 PolarHBondContact O-N 3.05Å; F167-E181 HydrophobicContact CE1-CB 4.46Å
168L98.2Very high94.2Very high1 Ų123.6 Ų23.61%0.00513%0.128CC..EExtended strand (participates in β ladder)trans-102.5144.6177.3-165.965.9000109.1G158 M176 L178 W217 F277 F279 L286G158-L168 PolarHBondContact N-O 3.44Å; G158-L168 PolarHBondContact O-N 2.9Å; L168-M176 HydrophobicContact CD1-CB 4.3Å; L168-M176 HydrophobicContact CD2-CE 3.5Å; L168-M176 HydrophobicContact CG-CE 3.99Å; L168-L178 HydrophobicContact CD1-CB 4.3Å; L168-W217 HydrophobicContact CD1-CE3 4.27Å; L168-W217 HydrophobicContact CD1-CZ3 3.94Å; L168-F277 HydrophobicContact CB-CE2 4.06Å; L168-F277 HydrophobicContact CB-CZ 3.91Å; L168-F277 HydrophobicContact CD2-CD2 4.17Å; L168-F277 HydrophobicContact CD2-CE2 3.98Å; L168-F277 HydrophobicContact CD2-CZ 4.27Å; L168-F277 HydrophobicContact CG-CE2 4.3Å; L168-F277 HydrophobicContact CG-CZ 4.13Å; L168-F277 WeakPolarHBondContact O-CZ 3.19Å; L168-F279 HydrophobicContact CB-CE2 4.11Å; L168-F279 HydrophobicContact CB-CZ 4.17Å; L168-F279 HydrophobicContact CD2-CE2 4.15Å; L168-F279 HydrophobicContact CD2-CZ 3.8Å; L168-L286 HydrophobicContact CD2-CD1 3.97Å; L168-L286 HydrophobicContact CD2-CD2 3.59Å; L168-L286 HydrophobicContact CD2-CG 4.45Å
169V98.4Very high94.2Very high0 Ų023.1 Ų23.10%012%0.123CC..EExtended strand (participates in β ladder)trans-133.3132.6179.2-175.40000108.1I129 V154 V157 F167 M176 Y177 Y179I129-V169 HydrophobicContact CD1-CG1 4.1Å; I129-V169 HydrophobicContact CD1-CG2 4.29Å; I129-V169 HydrophobicContact CG1-CG1 3.87Å; I129-V169 HydrophobicContact CG1-CG2 3.98Å; I129-V169 HydrophobicContact CG2-CG2 4.5Å; V154-V169 HydrophobicContact CB-CG1 4.45Å; V154-V169 HydrophobicContact CG1-CG1 3.65Å; V154-V169 HydrophobicContact CG2-CG1 4.05Å; V157-V169 HydrophobicContact CG1-CG1 4.26Å; V157-V169 HydrophobicContact CG1-CG2 4.43Å; F167-V169 HydrophobicContact CD2-CG2 3.69Å; F167-V169 HydrophobicContact CE2-CG2 3.78Å; V169-M176 CarbonylContact O-C 3.51Å; V169-M176 WeakPolarHBondContact O-CA 3.44Å; V169-Y177 PolarHBondContact N-O 3.08Å; V169-Y177 PolarHBondContact O-N 3.27Å; V169-Y179 HydrophobicContact CB-CE2 4.46Å; V169-Y179 HydrophobicContact CG2-CD2 3.93Å; V169-Y179 HydrophobicContact CG2-CE2 4.13Å
170S97.8Very high94.2Very high0 Ų022.7 Ų22.70%012%0.123CC..EExtended strand (participates in β ladder)trans-109.6149.6170.364.40000111.4V154 T155 C156V154-S170 CarbonylContact C-O 3.56Å; V154-S170 WeakPolarHBondContact CA-O 3.1Å; T155-S170 PolarHBondContact N-O 3.02Å; T155-S170 PolarHBondContact OG1-O 3.28Å; T155-S170 PolarHBondContact OG1-OG 2.84Å; C156-S170 VanDerWaalsContact CB-OG 3.31Å; C156-S170 WeakPolarHBondContact CB-OG 3.41Å; C156-S170 PolarHBondContact N-OG 3.02Å; C156-S170 PolarHBondContact O-N 3.45Å
171H96Very high94.1Very high0 Ų023.1 Ų23.10%013%0.125CC..EExtended strand (participates in β ladder)trans-125.9157.6-179.7-72.7-107.7000111.3D150 T152 P153 S173 G174 C175 Y177D150-H171 IonicContact OD1-ND1 3.16Å; T152-H171 PolarHBondContact O-ND1 3.42Å; T152-H171 WeakPolarHBondContact OG1-CB 3.09Å; P153-H171 WeakPolarHBondContact O-CA 3.27Å; H171-S173 WeakPolarHBondContact CB-OG 3.37Å; H171-S173 PolarHBondContact O-N 2.67Å; H171-S173 VanDerWaalsContact O-N 3.15Å; H171-G174 PolarHBondContact O-N 2.75Å; H171-G174 VanDerWaalsContact O-N 3.14Å; H171-C175 PolarHBondContact N-O 2.96Å; H171-Y177 AromaticContact CD2-CD2 3.54Å; H171-Y177 AromaticContact CD2-CE2 3.62Å; H171-Y177 AromaticContact NE2-CD2 3.8Å
172S94.1Very high94.1Very high43 Ų4325.4 Ų25.430%0.30114%0.138SC..THydrogen-bonded Turntrans-69.2-6.9175.3730000113.3P153 G174 S273P153-S172 WeakPolarHBondContact CD-OG 3.43Å; P153-S172 PolarHBondContact O-N 2.82Å; S172-G174 PolarHBondContact O-N 3.45Å; S172-S273 WeakPolarHBondContact CA-OG 3.41Å
173S93.2Very high94.4Very high19 Ų1919.9 Ų19.913%0.13311%0.113CC..THydrogen-bonded Turntrans-68.2-3.7166.763.80000114.7D150 T152 H171 C175 N271D150-S173 WeakPolarHBondContact OD2-CB 3.47Å; D150-S173 PolarHBondContact OD2-OG 2.91Å; T152-S173 VanDerWaalsContact OG1-CB 3.28Å; T152-S173 WeakPolarHBondContact OG1-CB 3.48Å; T152-S173 PolarHBondContact OG1-N 3.5Å; T152-S173 VanDerWaalsContact OG1-N 3.14Å; H171-S173 WeakPolarHBondContact CB-OG 3.37Å; H171-S173 PolarHBondContact O-N 2.67Å; H171-S173 VanDerWaalsContact O-N 3.15Å; S173-C175 PolarHBondContact O-N 2.68Å; S173-C175 WeakPolarHBondContact OG-CB 3.15Å; S173-C175 PolarHBondContact OG-N 2.83Å; S173-N271 WeakPolarHBondContact O-CB 3.36Å; S173-N271 PolarHBondContact O-ND2 2.65Å
174G92.9Very high94.2Very high0 Ų021.7 Ų21.70%013%0.13CC..SBendtrans74.713.2-172.500000114.5H171 S172 L219 V272H171-G174 PolarHBondContact O-N 2.75Å; H171-G174 VanDerWaalsContact O-N 3.14Å; S172-G174 PolarHBondContact O-N 3.45Å; G174-L219 PolarHBondContact O-N 2.83Å; G174-V272 WeakPolarHBondContact CA-O 3.36Å
175C95.6Very high93.8Very high3 Ų322.1 Ų22.12%0.0213%0.129CC..EExtended strand (participates in β ladder)trans-104.6150.3177-62.40000112.2H171 S173 Y177 W217 T218H171-C175 PolarHBondContact N-O 2.96Å; S173-C175 PolarHBondContact O-N 2.68Å; S173-C175 WeakPolarHBondContact OG-CB 3.15Å; S173-C175 PolarHBondContact OG-N 2.83Å; C175-Y177 HydrophobicContact CB-CE2 3.66Å; C175-Y177 WeakPolarHBondContact CB-OH 3.31Å; C175-W217 CarbonylContact C-O 3.51Å; C175-W217 WeakPolarHBondContact CA-O 3.32Å; C175-T218 PolarHBondContact SG-OG1 3.2Å
176M97.6Very high92.9Very high1 Ų123.7 Ų23.71%0.00514%0.139CC..EExtended strand (participates in β ladder)trans-123.8144.6167.6-47.3178.581.800110.1L168 V169 R216 W217 I274 F277 L286 I288L168-M176 HydrophobicContact CD1-CB 4.3Å; L168-M176 HydrophobicContact CD2-CE 3.5Å; L168-M176 HydrophobicContact CG-CE 3.99Å; V169-M176 CarbonylContact O-C 3.51Å; V169-M176 WeakPolarHBondContact O-CA 3.44Å; M176-R216 CarbonylContact O-C 3.57Å; M176-R216 VanDerWaalsContact O-CA 3.3Å; M176-R216 WeakPolarHBondContact O-CA 3.44Å; M176-W217 HydrophobicContact CB-CB 4.22Å; M176-W217 HydrophobicContact CB-CE3 4.45Å; M176-W217 PolarHBondContact N-O 2.83Å; M176-W217 PolarHBondContact O-N 2.81Å; M176-I274 HydrophobicContact CG-CD1 3.4Å; M176-I274 HydrophobicContact SD-CD1 4.12Å; M176-F277 HydrophobicContact CE-CB 3.66Å; M176-F277 HydrophobicContact CE-CD1 3.3Å; M176-F277 HydrophobicContact CE-CD2 4.15Å; M176-F277 HydrophobicContact CE-CE1 3.91Å; M176-F277 HydrophobicContact CE-CG 3.43Å; M176-F277 VanDerWaalsContact CE-CG 3.43Å; M176-L286 HydrophobicContact CE-CD2 4.26Å; M176-L286 HydrophobicContact SD-CD2 4.43Å; M176-I288 HydrophobicContact CE-CD1 4.5Å; M176-I288 HydrophobicContact CE-CG1 4.32Å; M176-I288 HydrophobicContact SD-CD1 3.55Å; M176-I288 VanDerWaalsContact SD-CD1 3.55Å; M176-I288 HydrophobicContact SD-CG1 3.96Å; M176-I288 HydrophobicContact SD-CG2 4.21Å
177Y97.6Very high92.2Very high5 Ų525.3 Ų25.32%0.0216%0.156CC..EExtended strand (participates in β ladder)trans-129.4127.1-176.5-58-84.8000110.4V149 D150 V169 H171 C175 Y179 P213 Y215 R216V149-Y177 HydrophobicContact CG1-CD1 3.53Å; V149-Y177 HydrophobicContact CG1-CD2 4.35Å; V149-Y177 HydrophobicContact CG1-CE1 3.38Å; V149-Y177 HydrophobicContact CG1-CE2 4.25Å; V149-Y177 HydrophobicContact CG1-CG 4.02Å; D150-Y177 HydrophobicContact CB-CE2 3.73Å; D150-Y177 WeakPolarHBondContact OD2-CE2 3.5Å; D150-Y177 PolarHBondContact OD2-OH 2.82Å; V169-Y177 PolarHBondContact N-O 3.08Å; V169-Y177 PolarHBondContact O-N 3.27Å; H171-Y177 AromaticContact CD2-CD2 3.54Å; H171-Y177 AromaticContact CD2-CE2 3.62Å; H171-Y177 AromaticContact NE2-CD2 3.8Å; C175-Y177 HydrophobicContact CB-CE2 3.66Å; C175-Y177 WeakPolarHBondContact CB-OH 3.31Å; Y177-Y179 VanDerWaalsContact CB-CE2 3.5Å; Y177-Y179 HydrophobicContact CG-CE2 4.44Å; Y177-P213 HydrophobicContact CD1-CB 4.27Å; Y177-P213 HydrophobicContact CD1-CG 4.15Å; Y177-Y215 WeakPolarHBondContact CA-O 3.42Å; Y177-R216 HydrophobicContact CD1-CB 3.87Å; Y177-R216 HydrophobicContact CD1-CG 4.02Å; Y177-R216 HydrophobicContact CE1-CB 3.86Å; Y177-R216 HydrophobicContact CE1-CG 3.55Å
178L97.7Very high91.6Very high6 Ų628.2 Ų28.23%0.03118%0.18CC..EExtended strand (participates in β ladder)trans-88.1125.1169.9-178.369.5000109.4V160 Q166 L168 P213 L214 Y215 W217 Y300V160-L178 HydrophobicContact CG2-CD1 3.65Å; Q166-L178 HydrophobicContact CB-CD1 4.08Å; L168-L178 HydrophobicContact CD1-CB 4.3Å; L178-P213 CarbonylContact O-C 3.51Å; L178-L214 HydrophobicContact CB-CB 4.41Å; L178-L214 HydrophobicContact CD2-CB 4.16Å; L178-L214 HydrophobicContact CD2-CD1 3.97Å; L178-L214 HydrophobicContact CG-CB 4.33Å; L178-L214 HydrophobicContact CG-CD1 4.24Å; L178-L214 PolarHBondContact O-N 3.31Å; L178-Y215 HydrophobicContact CD2-CD2 3.97Å; L178-Y215 PolarHBondContact N-O 3.5Å; L178-W217 HydrophobicContact CB-CH2 4.09Å; L178-W217 HydrophobicContact CB-CZ3 3.73Å; L178-Y300 WeakPolarHBondContact CD1-OH 3.31Å
179Y96.7Very high91.1Very high0 Ų029 Ų290%019%0.185CC..EExtended strand (participates in β ladder)trans-114.5156174-71.7-94.3000110.5I129 F143 Q166 F167 V169 Y177 N212 P213I129-Y179 HydrophobicContact CD1-CE2 4.28Å; F143-Y179 HydrophobicContact CB-CD1 4.21Å; F143-Y179 HydrophobicContact CB-CE1 4.1Å; F143-Y179 AromaticContact CD1-CD1 3.99Å; F143-Y179 HydrophobicContact CD1-CD1 3.99Å; F143-Y179 HydrophobicContact CG-CD1 4.41Å; Q166-Y179 VanDerWaalsContact CA-O 3.23Å; Q166-Y179 WeakPolarHBondContact CA-O 3.49Å; F167-Y179 HydrophobicContact CD2-CD2 4.47Å; F167-Y179 VanDerWaalsContact CE2-CB 3.47Å; F167-Y179 AromaticContact CE2-CD2 3.88Å; F167-Y179 HydrophobicContact CE2-CD2 3.88Å; F167-Y179 AromaticContact CE2-CG 3.81Å; F167-Y179 HydrophobicContact CE2-CG 3.81Å; F167-Y179 HydrophobicContact CZ-CD2 4.42Å; F167-Y179 AromaticContact CZ-CG 3.88Å; F167-Y179 HydrophobicContact CZ-CG 3.88Å; F167-Y179 PolarHBondContact N-O 2.88Å; F167-Y179 PolarHBondContact O-N 3.05Å; V169-Y179 HydrophobicContact CB-CE2 4.46Å; V169-Y179 HydrophobicContact CG2-CD2 3.93Å; V169-Y179 HydrophobicContact CG2-CE2 4.13Å; Y177-Y179 VanDerWaalsContact CB-CE2 3.5Å; Y177-Y179 HydrophobicContact CG-CE2 4.44Å; Y179-N212 WeakPolarHBondContact CA-OD1 3.32Å; Y179-N212 HydrophobicContact CD1-CB 3.67Å; Y179-N212 HydrophobicContact CE1-CB 4.05Å; Y179-P213 HydrophobicContact CE1-CB 4.22Å
180D94.2Very high90.7Very high19 Ų1932.8 Ų32.810%0.10221%0.208CC..EExtended strand (participates in β ladder)trans-125.2123.4169.2-170.4-58.1000108.9H165 Q166 T182 L183 N212 L214H165-D180 WeakPolarHBondContact O-CA 3.12Å; Q166-D180 HydrophobicContact CG-CB 4.06Å; Q166-D180 WeakPolarHBondContact CG-OD2 3.48Å; Q166-D180 PolarHBondContact NE2-OD2 3.34Å; D180-T182 PolarHBondContact O-N 3.12Å; D180-T182 VanDerWaalsContact O-N 3.07Å; D180-T182 WeakPolarHBondContact OD1-CB 3.47Å; D180-T182 PolarHBondContact OD1-N 3.19Å; D180-T182 PolarHBondContact OD1-OG1 3.02Å; D180-L183 HydrophobicContact CB-CB 4.5Å; D180-L183 HydrophobicContact CB-CD1 3.99Å; D180-L183 HydrophobicContact CB-CG 4.06Å; D180-L183 PolarHBondContact O-N 3.1Å; D180-L183 VanDerWaalsContact O-N 3.09Å; D180-N212 PolarHBondContact N-OD1 2.79Å; D180-N212 PolarHBondContact O-ND2 2.94Å; D180-L214 HydrophobicContact CB-CD1 3.99Å
181E92Very high90.3Very high18 Ų1834.9 Ų34.98%0.08422%0.217CC..THydrogen-bonded Turntrans-65.4-13.5-173.371.6164.5140.300115R109 L131 K141 F143 H165 F167R109-E181 IonicContact CZ-OE1 3.12Å; R109-E181 IonicContact NH2-OE1 2.68Å; R109-E181 PolarHBondContact NH2-OE1 3.32Å; R109-E181 IonicContact NH2-OE2 4Å; L131-E181 HydrophobicContact CD2-CB 4.26Å; K141-E181 PolarHBondContact NZ-O 3.49Å; K141-E181 IonicContact NZ-OE2 2.74Å; K141-E181 PolarHBondContact NZ-OE2 2.83Å; F143-E181 HydrophobicContact CZ-CB 4.2Å; H165-E181 HydrophobicContact CB-CG 3.84Å; H165-E181 IonicContact CE1-OE1 3.45Å; H165-E181 IonicContact CG-OE1 2.67Å; H165-E181 IonicContact ND1-OE1 3.5Å; H165-E181 PolarHBondContact ND1-OE1 2.84Å; H165-E181 PolarHBondContact O-N 2.97Å; F167-E181 HydrophobicContact CE1-CB 4.46Å
182T91.4Very high90.2Very high88 Ų8838.5 Ų38.554%0.5424%0.236SC..THydrogen-bonded Turntrans-87-14.9179.569.30000111.9H165 D180H165-T182 HydrophobicContact CB-CG2 4.1Å; D180-T182 PolarHBondContact O-N 3.12Å; D180-T182 VanDerWaalsContact O-N 3.07Å; D180-T182 WeakPolarHBondContact OD1-CB 3.47Å; D180-T182 PolarHBondContact OD1-N 3.19Å; D180-T182 PolarHBondContact OD1-OG1 3.02Å
183L92Very high90.2Very high40 Ų4041.1 Ų41.121%0.20925%0.246CC..SBendtrans-99136.5-177.1-60.3-177.1000111.8D180 N212 L214D180-L183 HydrophobicContact CB-CB 4.5Å; D180-L183 HydrophobicContact CB-CD1 3.99Å; D180-L183 HydrophobicContact CB-CG 4.06Å; D180-L183 PolarHBondContact O-N 3.1Å; D180-L183 VanDerWaalsContact O-N 3.09Å; L183-N212 PolarHBondContact O-ND2 2.65Å; L183-L214 HydrophobicContact CD1-CD2 3.64Å; L183-L214 HydrophobicContact CD1-CG 4.37Å
184A85.2Confident90.1Very high61 Ų6145.2 Ų45.250%0.50426%0.262SS..PPolyproline II helixtrans-70147.416900000111.1L186 R211 N212A184-L186 HydrophobicContact CB-CD2 4.5Å; A184-L186 HydrophobicContact CB-CG 4.24Å; A184-R211 WeakPolarHBondContact O-CB 3.24Å; A184-N212 PolarHBondContact O-N 2.99Å
185Q77.1Confident90.1Very high42 Ų4247.8 Ų47.820%0.19627%0.273CS..BIsolated β-bridgetrans-91.4123.8160.4-178.2175.2-30.400108.3N144 S148 V149 N212N144-Q185 VanDerWaalsContact CA-OE1 3.3Å; S148-Q185 PolarHBondContact OG-NE2 3.14Å; V149-Q185 VanDerWaalsContact CG2-NE2 3.27Å; Q185-N212 HydrophobicContact CB-CB 4.19Å
186L71.5Confident89.8Confident99 Ų9951.5 Ų51.552%0.51829%0.29SS..  trans-125.5113.7-177.3-67171.2000108.7A184 R211A184-L186 HydrophobicContact CB-CD2 4.5Å; A184-L186 HydrophobicContact CB-CG 4.24Å; L186-R211 PolarHBondContact O-NH1 2.97Å
187S79.5Confident89.2Confident87 Ų8752.6 Ų52.661%0.60830%0.301SS*.SBendtrans52.3179.4-178.275.20000115.2R211S187-R211 PolarHBondContact OG-NH1 3.14Å
188A84.6Confident88.3Confident61 Ų6154 Ų5450%0.50431%0.308SS..SBendtrans-61.1130.3170.800000110
189P87.2Confident87.5Confident17 Ų1753.7 Ų53.711%0.1131%0.307CS..  trans-72.6152.8178.829.5-35.6000111.9V149 Y191 P213V149-P189 HydrophobicContact CG2-CG 4.01Å; P189-Y191 HydrophobicContact CB-CE1 4.3Å; P189-Y191 HydrophobicContact CB-CE2 4.21Å; P189-Y191 HydrophobicContact CG-CE1 4.38Å; P189-Y191 HydrophobicContact CG-CE2 3.75Å; P189-Y191 VanDerWaalsContact CG-OH 3.25Å; P189-Y191 WeakPolarHBondContact CG-OH 3.4Å; P189-P213 HydrophobicContact CG-CG 4.35Å
190T89.9Confident87.1Confident80 Ų8054 Ų5449%0.49131%0.308SS..  trans-116133.2170.445.80000109C205 K206T190-C205 CarbonylContact O-C 3.53Å; T190-C205 WeakPolarHBondContact O-CA 3.32Å; T190-K206 PolarHBondContact O-N 3.21Å
191Y91.2Very high87Confident44 Ų4453.1 Ų53.117%0.17330%0.304CS..EExtended strand (participates in β ladder)trans-113.5143.2-166.6-66-72.4000112.8P189 H203 T204 K206 P213 R216P189-Y191 HydrophobicContact CB-CE1 4.3Å; P189-Y191 HydrophobicContact CB-CE2 4.21Å; P189-Y191 HydrophobicContact CG-CE1 4.38Å; P189-Y191 HydrophobicContact CG-CE2 3.75Å; P189-Y191 VanDerWaalsContact CG-OH 3.25Å; P189-Y191 WeakPolarHBondContact CG-OH 3.4Å; Y191-H203 HydrophobicContact CD1-CB 4.05Å; Y191-H203 HydrophobicContact CG-CB 4.3Å; Y191-T204 WeakPolarHBondContact CA-O 3.29Å; Y191-K206 WeakPolarHBondContact O-CE 3.34Å; Y191-P213 HydrophobicContact CE1-CG 4.3Å; Y191-P213 VanDerWaalsContact OH-CG 3.31Å; Y191-P213 WeakPolarHBondContact OH-CG 3.44Å; Y191-R216 HydrophobicContact CD1-CB 4.29Å; Y191-R216 HydrophobicContact CE1-CB 3.74Å
192N92.9Very high87.2Confident76 Ų7652.3 Ų52.341%0.40630%0.3SS..EExtended strand (participates in β ladder)trans-121.9152.915432.4-3.2000111.2F194 H203 T204 K206N192-F194 PolarHBondContact O-N 2.88Å; N192-H203 CarbonylContact O-C 3.57Å; N192-H203 VanDerWaalsContact O-CA 3.25Å; N192-H203 WeakPolarHBondContact O-CA 3.45Å; N192-T204 PolarHBondContact N-O 2.82Å; N192-T204 PolarHBondContact O-N 3.43Å; N192-T204 PolarHBondContact OD1-O 2.51Å; N192-K206 HydrophobicContact CB-CG 4.21Å; N192-K206 VanDerWaalsContact CG-CG 3.46Å; N192-K206 WeakPolarHBondContact OD1-CG 3.18Å
193L93.5Very high87.3Confident97 Ų9749.7 Ų49.751%0.50828%0.282SS..EExtended strand (participates in β ladder)trans-56.2124.5173.7-173.667.4000109.6K195 Q196 H203L193-K195 WeakPolarHBondContact CD1-O 3.47Å; L193-Q196 HydrophobicContact CD1-CB 4.29Å; L193-Q196 HydrophobicContact CD2-CB 4.27Å; L193-H203 PolarHBondContact N-CD2 3.06Å
194F92.4Very high87.4Confident106 Ų10649.9 Ų49.947%0.46528%0.284SS..EExtended strand (participates in β ladder)trans-98.6-44.6173174.5-102.6000110.4N192 V202 T204 Y215 M303N192-F194 PolarHBondContact O-N 2.88Å; F194-V202 WeakPolarHBondContact CA-O 3.08Å; F194-V202 WeakPolarHBondContact CB-O 3.45Å; F194-V202 HydrophobicContact CD1-CG1 4.43Å; F194-V202 PolarHBondContact N-O 3.04Å; F194-T204 HydrophobicContact CB-CG2 4.18Å; F194-T204 HydrophobicContact CD2-CG2 4.37Å; F194-Y215 HydrophobicContact CB-CE1 4.48Å; F194-Y215 HydrophobicContact CD1-CD1 4.4Å; F194-Y215 AromaticContact CD1-CE1 3.85Å; F194-Y215 HydrophobicContact CD1-CE1 3.85Å; F194-Y215 HydrophobicContact CD2-CE1 4.13Å; F194-Y215 HydrophobicContact CE1-CE1 4.08Å; F194-Y215 HydrophobicContact CE2-CE1 4.33Å; F194-Y215 HydrophobicContact CG-CD1 4.5Å; F194-Y215 AromaticContact CG-CE1 3.88Å; F194-Y215 HydrophobicContact CG-CE1 3.88Å; F194-Y215 HydrophobicContact CZ-CE1 4.31Å; F194-M303 HydrophobicContact CD1-SD 3.85Å; F194-M303 HydrophobicContact CE1-CE 4.34Å; F194-M303 HydrophobicContact CE1-SD 3.59Å; F194-M303 VanDerWaalsContact CE1-SD 3.59Å
195K92.9Very high87.6Confident54 Ų5447.7 Ų47.724%0.23527%0.265CS..EExtended strand (participates in β ladder)trans-149.3140.3178-169.1161-177.2165.30110.5L193 V202 E302 M303 E304L193-K195 WeakPolarHBondContact CD1-O 3.47Å; K195-V202 HydrophobicContact CB-CB 4.3Å; K195-V202 HydrophobicContact CB-CG2 4.43Å; K195-V202 PolarHBondContact N-O 3.48Å; K195-V202 PolarHBondContact O-N 3.42Å; K195-E302 PolarHBondContact NZ-O 2.97Å; K195-M303 HydrophobicContact CD-CB 4.2Å; K195-E304 WeakPolarHBondContact CE-OE1 3.01Å; K195-E304 IonicContact NZ-OE1 2.71Å; K195-E304 PolarHBondContact NZ-OE1 3.14Å
196Q88.5Confident88Confident81 Ų8151.6 Ų51.638%0.37928%0.282SS..EExtended strand (participates in β ladder)trans-114.8140.2170.8-174.761.538.900108.4L193 F200L193-Q196 HydrophobicContact CD1-CB 4.29Å; L193-Q196 HydrophobicContact CD2-CB 4.27Å; Q196-F200 PolarHBondContact NE2-O 3.29Å
197G84.5Confident88.4Confident23 Ų2348.9 Ų48.924%0.23727%0.269CS..EExtended strand (participates in β ladder)trans-141.8-168.4168.600000111.5G199 F200G197-G199 PolarHBondContact O-N 3.45Å; G197-F200 CarbonylContact C-O 3.57Å; G197-F200 PolarHBondContact N-O 3.41Å; G197-F200 VanDerWaalsContact O-O 3.08Å
198I80.2Confident88.3Confident34 Ų3455.4 Ų55.417%0.17429%0.287CS..THydrogen-bonded Turntrans-74.8113-175.6-55.7162000108.8F200 I263 F267 L612I198-F200 WeakPolarHBondContact O-CD1 3.47Å; I198-F200 PolarHBondContact O-N 3.22Å; I198-I263 HydrophobicContact CD1-CD1 3.82Å; I198-I263 HydrophobicContact CG2-CB 3.69Å; I198-I263 HydrophobicContact CG2-CG2 3.54Å; I198-F267 HydrophobicContact CG2-CD2 4.11Å; I198-F267 HydrophobicContact CG2-CE2 4Å; I198-L612 HydrophobicContact CD1-CD2 3.95Å
199G80.4Confident88.2Confident0 Ų056.1 Ų56.10%029%0.288CS..THydrogen-bonded Turntrans67.514.1-179.500000115.9G197 G220 F267G197-G199 PolarHBondContact O-N 3.45Å; G199-G220 PolarHBondContact O-N 2.61Å; G199-F267 VanDerWaalsContact CA-CD2 3.47Å
200F88.6Confident88.2Confident6 Ų660.2 Ų60.23%0.02631%0.312CS..EExtended strand (participates in β ladder)trans-149.4151.3172.976.4-86.1000112.1Q196 G197 I198 V202 T218 L219 M298 M303 L305Q196-F200 PolarHBondContact NE2-O 3.29Å; G197-F200 CarbonylContact C-O 3.57Å; G197-F200 PolarHBondContact N-O 3.41Å; G197-F200 VanDerWaalsContact O-O 3.08Å; I198-F200 WeakPolarHBondContact O-CD1 3.47Å; I198-F200 PolarHBondContact O-N 3.22Å; F200-V202 HydrophobicContact CD2-CG2 3.85Å; F200-V202 HydrophobicContact CE2-CG2 3.85Å; F200-T218 WeakPolarHBondContact CA-O 3.49Å; F200-L219 HydrophobicContact CB-CD2 4.02Å; F200-M298 HydrophobicContact CD1-CE 3.83Å; F200-M298 HydrophobicContact CD1-SD 4.38Å; F200-M298 HydrophobicContact CD2-CE 3.82Å; F200-M298 HydrophobicContact CE1-CE 3.71Å; F200-M298 HydrophobicContact CE2-CE 3.69Å; F200-M298 HydrophobicContact CG-CE 3.91Å; F200-M298 HydrophobicContact CZ-CE 3.64Å; F200-M303 WeakPolarHBondContact CE2-O 3.44Å; F200-M303 WeakPolarHBondContact CZ-O 3.45Å; F200-L305 HydrophobicContact CD1-CB 4.42Å; F200-L305 HydrophobicContact CE1-CB 3.92Å
201S92.4Very high88.2Confident2 Ų259 Ų591%0.01430%0.299CS..EExtended strand (participates in β ladder)trans-129.1144171.362.30000110.4H203 W217 T218S201-H203 PolarHBondContact OG-CE1 2.74Å; S201-W217 CarbonylContact O-C 3.59Å; S201-W217 VanDerWaalsContact O-CA 3.32Å; S201-W217 WeakPolarHBondContact O-CA 3.29Å; S201-T218 PolarHBondContact N-O 2.88Å; S201-T218 PolarHBondContact O-N 2.85Å
202V95Very high88.3Confident0 Ų057 Ų570%029%0.291CS..EExtended strand (participates in β ladder)trans-121.2129.5175.9-163.60000109.2F194 K195 F200 Y215 R216 W217 M303F194-V202 WeakPolarHBondContact CA-O 3.08Å; F194-V202 WeakPolarHBondContact CB-O 3.45Å; F194-V202 HydrophobicContact CD1-CG1 4.43Å; F194-V202 PolarHBondContact N-O 3.04Å; K195-V202 HydrophobicContact CB-CB 4.3Å; K195-V202 HydrophobicContact CB-CG2 4.43Å; K195-V202 PolarHBondContact N-O 3.48Å; K195-V202 PolarHBondContact O-N 3.42Å; F200-V202 HydrophobicContact CD2-CG2 3.85Å; F200-V202 HydrophobicContact CE2-CG2 3.85Å; V202-Y215 HydrophobicContact CG1-CD1 4.13Å; V202-R216 CarbonylContact C-O 3.57Å; V202-R216 WeakPolarHBondContact CA-O 3.49Å; V202-W217 HydrophobicContact CG1-CD2 4.13Å; V202-W217 HydrophobicContact CG1-CG 4.32Å; V202-W217 HydrophobicContact CG1-CZ2 4.3Å; V202-W217 VanDerWaalsContact CG2-CD1 3.48Å; V202-W217 HydrophobicContact CG2-CG 4.2Å; V202-M303 HydrophobicContact CG1-SD 3.82Å; V202-M303 HydrophobicContact CG2-CB 4.38Å
203H94.2Very high88.4Confident34 Ų3453.4 Ų53.416%0.15727%0.272CS..EExtended strand (participates in β ladder)trans-122.5152.1-177.2-64.879.7000110.8Y191 N192 L193 S201 Y215 R216Y191-H203 HydrophobicContact CD1-CB 4.05Å; Y191-H203 HydrophobicContact CG-CB 4.3Å; N192-H203 CarbonylContact O-C 3.57Å; N192-H203 VanDerWaalsContact O-CA 3.25Å; N192-H203 WeakPolarHBondContact O-CA 3.45Å; L193-H203 PolarHBondContact N-CD2 3.06Å; S201-H203 PolarHBondContact OG-CE1 2.74Å; H203-Y215 CarbonylContact O-C 3.57Å; H203-Y215 VanDerWaalsContact O-CA 3.28Å; H203-Y215 WeakPolarHBondContact O-CA 3.33Å; H203-R216 HydrophobicContact CB-CB 4.39Å; H203-R216 PolarHBondContact N-O 3.5Å; H203-R216 PolarHBondContact O-N 3.04Å
204T94.1Very high88.4Confident43 Ų4350.2 Ų50.226%0.26426%0.255SS..EExtended strand (participates in β ladder)trans-130.3167.5171.7-166.60000111Y191 N192 F194 L214Y191-T204 WeakPolarHBondContact CA-O 3.29Å; N192-T204 PolarHBondContact N-O 2.82Å; N192-T204 PolarHBondContact O-N 3.43Å; N192-T204 PolarHBondContact OD1-O 2.51Å; F194-T204 HydrophobicContact CB-CG2 4.18Å; F194-T204 HydrophobicContact CD2-CG2 4.37Å; T204-L214 PolarHBondContact OG1-O 2.89Å
205C88.3Confident88.6Confident15 Ų1548 Ų4810%0.10124%0.244CC..EExtended strand (participates in β ladder)trans-81.8126.2-170.3-81.10000113.7T190 T207 P213T190-C205 CarbonylContact O-C 3.53Å; T190-C205 WeakPolarHBondContact O-CA 3.32Å; C205-T207 VanDerWaalsContact C-N 3.28Å; C205-T207 HydrophobicContact CB-CG2 3.83Å; C205-T207 PolarHBondContact O-N 3.1Å; C205-T207 PolarHBondContact O-OG1 3.32Å; C205-P213 PolarHBondContact SG-O 2.77Å
206K85.3Confident88.7Confident125 Ų12548.5 Ų48.554%0.54325%0.245SC..  trans-67.268.9175.1-70.8-170.1-164.6-165.20113T190 Y191 N192T190-K206 PolarHBondContact O-N 3.21Å; Y191-K206 WeakPolarHBondContact O-CE 3.34Å; N192-K206 HydrophobicContact CB-CG 4.21Å; N192-K206 VanDerWaalsContact CG-CG 3.46Å; N192-K206 WeakPolarHBondContact OD1-CG 3.18Å
207T81.9Confident89Confident42 Ų4245 Ų4526%0.25823%0.228SC..  trans-141.5144.1-163.465.20000113C205 S209 R211C205-T207 VanDerWaalsContact C-N 3.28Å; C205-T207 HydrophobicContact CB-CG2 3.83Å; C205-T207 PolarHBondContact O-N 3.1Å; C205-T207 PolarHBondContact O-OG1 3.32Å; T207-S209 VanDerWaalsContact C-N 3.26Å; T207-S209 PolarHBondContact O-N 3Å; T207-S209 PolarHBondContact OG1-O 2.99Å; T207-R211 VanDerWaalsContact CG2-NE 3.34Å
208K76.4Confident89.5Confident224 Ų22444.3 Ų44.397%0.97422%0.219SC*.SBendtrans-74.9-16.4178.6-67.9-173.7178.9-178.70113.4
209S83.3Confident89.9Confident76 Ų7642.8 Ų42.853%0.53121%0.212SC..SBendtrans-135.3138.8-179.856.50000109T207 R211T207-S209 VanDerWaalsContact C-N 3.26Å; T207-S209 PolarHBondContact O-N 3Å; T207-S209 PolarHBondContact OG1-O 2.99Å; S209-R211 PolarHBondContact O-N 2.83Å
210T85.8Confident89.6Confident102 Ų10243 Ų4363%0.62621%0.214SC*.  trans-58.8130.6173.546.30000110.9
211R90.7Very high88Confident55 Ų5544 Ų4421%0.20822%0.221CC..  trans-150165.2175.156.5172144.6168-3.6109.8A184 L186 S187 T207 S209 P213A184-R211 WeakPolarHBondContact O-CB 3.24Å; L186-R211 PolarHBondContact O-NH1 2.97Å; S187-R211 PolarHBondContact OG-NH1 3.14Å; T207-R211 VanDerWaalsContact CG2-NE 3.34Å; S209-R211 PolarHBondContact O-N 2.83Å; R211-P213 CarbonylContact O-C 3.57Å
212N93.2Very high85.6Confident2 Ų246.6 Ų46.61%0.01124%0.238CC..BIsolated β-bridgetrans-75.1146.4175.6-81.6-31.6000112.6Y179 D180 L183 A184 Q185Y179-N212 WeakPolarHBondContact CA-OD1 3.32Å; Y179-N212 HydrophobicContact CD1-CB 3.67Å; Y179-N212 HydrophobicContact CE1-CB 4.05Å; D180-N212 PolarHBondContact N-OD1 2.79Å; D180-N212 PolarHBondContact O-ND2 2.94Å; L183-N212 PolarHBondContact O-ND2 2.65Å; A184-N212 PolarHBondContact O-N 2.99Å; Q185-N212 HydrophobicContact CB-CB 4.19Å
213P94.3Very high82.9Confident0 Ų049.8 Ų49.80%026%0.255CS..  cis-76.2148.5-11.632.1-34.5000112V149 Y177 L178 Y179 P189 Y191 C205 R211V149-P213 HydrophobicContact CG1-CG 4.04Å; V149-P213 HydrophobicContact CG2-CG 4.28Å; Y177-P213 HydrophobicContact CD1-CB 4.27Å; Y177-P213 HydrophobicContact CD1-CG 4.15Å; L178-P213 CarbonylContact O-C 3.51Å; Y179-P213 HydrophobicContact CE1-CB 4.22Å; P189-P213 HydrophobicContact CG-CG 4.35Å; Y191-P213 HydrophobicContact CE1-CG 4.3Å; Y191-P213 VanDerWaalsContact OH-CG 3.31Å; Y191-P213 WeakPolarHBondContact OH-CG 3.44Å; C205-P213 PolarHBondContact SG-O 2.77Å; R211-P213 CarbonylContact O-C 3.57Å
214L94.3Very high80Confident30 Ų3055.3 Ų55.316%0.15729%0.291CS..SBendtrans-70.8-47-179-71179.3000112.5L178 D180 L183 T204L178-L214 HydrophobicContact CB-CB 4.41Å; L178-L214 HydrophobicContact CD2-CB 4.16Å; L178-L214 HydrophobicContact CD2-CD1 3.97Å; L178-L214 HydrophobicContact CG-CB 4.33Å; L178-L214 HydrophobicContact CG-CD1 4.24Å; L178-L214 PolarHBondContact O-N 3.31Å; D180-L214 HydrophobicContact CB-CD1 3.99Å; L183-L214 HydrophobicContact CD1-CD2 3.64Å; L183-L214 HydrophobicContact CD1-CG 4.37Å; T204-L214 PolarHBondContact OG1-O 2.89Å
215Y95.9Very high76.9Confident59 Ų5957.3 Ų57.323%0.23131%0.307CS..EExtended strand (participates in β ladder)trans-139.1148.3178.4-68.8-76.2000110.1Y177 L178 F194 V202 H203 W217 M303Y177-Y215 WeakPolarHBondContact CA-O 3.42Å; L178-Y215 HydrophobicContact CD2-CD2 3.97Å; L178-Y215 PolarHBondContact N-O 3.5Å; F194-Y215 HydrophobicContact CB-CE1 4.48Å; F194-Y215 HydrophobicContact CD1-CD1 4.4Å; F194-Y215 AromaticContact CD1-CE1 3.85Å; F194-Y215 HydrophobicContact CD1-CE1 3.85Å; F194-Y215 HydrophobicContact CD2-CE1 4.13Å; F194-Y215 HydrophobicContact CE1-CE1 4.08Å; F194-Y215 HydrophobicContact CE2-CE1 4.33Å; F194-Y215 HydrophobicContact CG-CD1 4.5Å; F194-Y215 AromaticContact CG-CE1 3.88Å; F194-Y215 HydrophobicContact CG-CE1 3.88Å; F194-Y215 HydrophobicContact CZ-CE1 4.31Å; V202-Y215 HydrophobicContact CG1-CD1 4.13Å; H203-Y215 CarbonylContact O-C 3.57Å; H203-Y215 VanDerWaalsContact O-CA 3.28Å; H203-Y215 WeakPolarHBondContact O-CA 3.33Å; Y215-W217 VanDerWaalsContact CB-CZ3 3.42Å; Y215-W217 HydrophobicContact CD2-CH2 4.36Å; Y215-W217 HydrophobicContact CG-CH2 4.19Å; Y215-M303 HydrophobicContact CD1-CE 4.22Å; Y215-M303 HydrophobicContact CD2-CE 3.9Å; Y215-M303 HydrophobicContact CE1-CE 4.09Å; Y215-M303 HydrophobicContact CE2-CE 3.76Å; Y215-M303 HydrophobicContact CG-CE 4.13Å
216R95.4Very high73.9Confident65 Ų6565.1 Ų65.125%0.24534%0.34CS..EExtended strand (participates in β ladder)trans-121119.5169.5168.7-172.6149.2178.4-3.7108.5M176 Y177 Y191 V202 H203 T218M176-R216 CarbonylContact O-C 3.57Å; M176-R216 VanDerWaalsContact O-CA 3.3Å; M176-R216 WeakPolarHBondContact O-CA 3.44Å; Y177-R216 HydrophobicContact CD1-CB 3.87Å; Y177-R216 HydrophobicContact CD1-CG 4.02Å; Y177-R216 HydrophobicContact CE1-CB 3.86Å; Y177-R216 HydrophobicContact CE1-CG 3.55Å; Y191-R216 HydrophobicContact CD1-CB 4.29Å; Y191-R216 HydrophobicContact CE1-CB 3.74Å; V202-R216 CarbonylContact C-O 3.57Å; V202-R216 WeakPolarHBondContact CA-O 3.49Å; H203-R216 HydrophobicContact CB-CB 4.39Å; H203-R216 PolarHBondContact N-O 3.5Å; H203-R216 PolarHBondContact O-N 3.04Å; R216-T218 PolarHBondContact NE-OG1 2.83Å; R216-T218 PolarHBondContact NH2-OG1 3.27Å
217W95.6Very high71.2Confident8 Ų866.8 Ų66.83%0.0335%0.353CS..EExtended strand (participates in β ladder)trans-88.8142.5162.2-65.2-109.1000108.5L168 C175 M176 L178 S201 V202 Y215 Y300 M303L168-W217 HydrophobicContact CD1-CE3 4.27Å; L168-W217 HydrophobicContact CD1-CZ3 3.94Å; C175-W217 CarbonylContact C-O 3.51Å; C175-W217 WeakPolarHBondContact CA-O 3.32Å; M176-W217 HydrophobicContact CB-CB 4.22Å; M176-W217 HydrophobicContact CB-CE3 4.45Å; M176-W217 PolarHBondContact N-O 2.83Å; M176-W217 PolarHBondContact O-N 2.81Å; L178-W217 HydrophobicContact CB-CH2 4.09Å; L178-W217 HydrophobicContact CB-CZ3 3.73Å; S201-W217 CarbonylContact O-C 3.59Å; S201-W217 VanDerWaalsContact O-CA 3.32Å; S201-W217 WeakPolarHBondContact O-CA 3.29Å; V202-W217 HydrophobicContact CG1-CD2 4.13Å; V202-W217 HydrophobicContact CG1-CG 4.32Å; V202-W217 HydrophobicContact CG1-CZ2 4.3Å; V202-W217 VanDerWaalsContact CG2-CD1 3.48Å; V202-W217 HydrophobicContact CG2-CG 4.2Å; Y215-W217 VanDerWaalsContact CB-CZ3 3.42Å; Y215-W217 HydrophobicContact CD2-CH2 4.36Å; Y215-W217 HydrophobicContact CG-CH2 4.19Å; W217-Y300 HydrophobicContact CH2-CE2 4.41Å; W217-Y300 HydrophobicContact CZ2-CE2 4.46Å; W217-M303 HydrophobicContact CH2-CE 4.35Å; W217-M303 HydrophobicContact CZ2-CE 3.91Å; W217-M303 HydrophobicContact CZ2-CG 4.23Å; W217-M303 HydrophobicContact CZ2-SD 4.04Å
218T93.8Very high68.5Low9 Ų970.3 Ų70.36%0.05537%0.371CS..EExtended strand (participates in β ladder)trans-127.4125.1165.3-64.80000107.2C175 F200 S201 R216C175-T218 PolarHBondContact SG-OG1 3.2Å; F200-T218 WeakPolarHBondContact CA-O 3.49Å; S201-T218 PolarHBondContact N-O 2.88Å; S201-T218 PolarHBondContact O-N 2.85Å; R216-T218 PolarHBondContact NE-OG1 2.83Å; R216-T218 PolarHBondContact NH2-OG1 3.27Å
219L89.5Confident66Low2 Ų268.4 Ų68.41%0.0137%0.371CS..EExtended strand (participates in β ladder)trans-86.4145.7173-57-175.9000109.9G174 F200 I274 I288 T290G174-L219 PolarHBondContact O-N 2.83Å; F200-L219 HydrophobicContact CB-CD2 4.02Å; L219-I274 HydrophobicContact CD1-CD1 3.74Å; L219-I274 HydrophobicContact CD1-CG1 3.67Å; L219-I274 HydrophobicContact CG-CD1 4.17Å; L219-I288 HydrophobicContact CD1-CG2 3.9Å; L219-I288 HydrophobicContact CD2-CD1 4.5Å; L219-T290 HydrophobicContact CD1-CG2 3.64Å
220G74.4Confident63.3Low4 Ų469.7 Ų69.74%0.04138%0.376CS..SBendtrans99.4157.1-164.900000111.6G199G199-G220 PolarHBondContact O-N 2.61Å
221S54.2Low60.4Low26 Ų2673.5 Ų73.518%0.18238%0.384CS..  trans-77.3128.1176.6155.40000110.4N223 D269S221-N223 PolarHBondContact O-N 3.23Å; S221-N223 VanDerWaalsContact O-N 3.14Å; S221-D269 WeakPolarHBondContact CB-OD1 3.45Å; S221-D269 PolarHBondContact OG-OD1 2.98Å
222P42.2Very low57.2Low57 Ų5777.2 Ų77.237%0.3742%0.415SS..  trans-75.2107.4-179.929.2-32.7000110.7T224P222-T224 PolarHBondContact O-N 3.03Å
223N37.9Very low54Low68 Ų6884.8 Ų84.836%0.36446%0.455SS..  trans-42.2110171.3-103.5-68.6000112.8S221 S225 D269S221-N223 PolarHBondContact O-N 3.23Å; S221-N223 VanDerWaalsContact O-N 3.14Å; N223-S225 PolarHBondContact O-N 3.22Å; N223-S225 VanDerWaalsContact O-N 3.13Å; N223-S225 PolarHBondContact OD1-OG 3.48Å; N223-D269 PolarHBondContact ND2-O 2.87Å
224T34.1Very low50.8Low149 Ų14990 Ų9091%0.91449%0.491SS*.THydrogen-bonded Turntrans-67.6-4.3167.251.10000112.8P222P222-T224 PolarHBondContact O-N 3.03Å
225S27.7Very low47.5Very low86 Ų8698.1 Ų98.160%0.60153%0.525SS*.THydrogen-bonded Turntrans-93.9-5.2-176.3700000115.4N223N223-S225 PolarHBondContact O-N 3.22Å; N223-S225 VanDerWaalsContact O-N 3.13Å; N223-S225 PolarHBondContact OD1-OG 3.48Å
226K26.7Very low44.2Very low179 Ų179103.1 Ų103.178%0.77856%0.556SS**  trans-121.136.8-177.4-77-174.7178.6170.70114.4D228K226-D228 PolarHBondContact O-N 2.89Å
227L27.6Very low40.8Very low159 Ų159104.7 Ų104.783%0.83258%0.577SS**SBendtrans-86.3100162.4-165.573.3000109.8
228D26.3Very low37.5Very low116 Ų116110.8 Ų110.862%0.6261%0.61SS**  trans42.7111.1162.9-72.6-35000120K226 T230K226-D228 PolarHBondContact O-N 2.89Å; D228-T230 HydrophobicContact CB-CG2 4.05Å; D228-T230 PolarHBondContact O-N 2.77Å
229N23.9Very low34.3Very low185 Ų185118.5 Ų118.599%0.98965%0.645SS**  trans-70.551.7150.2-94.5-29.3000111.4
230T26.3Very low31.2Very low103 Ų103123.9 Ų123.963%0.63268%0.677SS**  trans-97135.5164.362.10000109D228D228-T230 HydrophobicContact CB-CG2 4.05Å; D228-T230 PolarHBondContact O-N 2.77Å
231K24.9Very low28.9Very low182 Ų182131.3 Ų131.379%0.79172%0.716SS**  trans-53.9137-164.9-66.2172.4177.2175.70112.2L233K231-L233 PolarHBondContact O-N 3.02Å
232P23.6Very low27.5Very low132 Ų132133.5 Ų133.586%0.85774%0.743SS**  trans-66.5104.316628.8-32.3000108.3
233L25.9Very low26.7Very low162 Ų162140.7 Ų140.785%0.84877%0.769SS**  trans-69.3138.8170.7-116.182.4000109.4K231K231-L233 PolarHBondContact O-N 3.02Å
234S27.4Very low26Very low108 Ų108144.1 Ų144.176%0.75579%0.792SS**  trans-64.6151.3-169.749.60000113.8N236S234-N236 PolarHBondContact O-N 2.88Å
235K25.1Very low25.7Very low201 Ų201141.3 Ų141.387%0.87478%0.784SS**  trans-38.1133.2162.9-61172.6178178.20111.8
236N25.3Very low25.7Very low165 Ų165143.6 Ų143.688%0.88279%0.79SS**  trans-148.6137.5139.9-97.6-18.1000108.2S234S234-N236 PolarHBondContact O-N 2.88Å
237S24.5Very low25.6Very low97 Ų97145.3 Ų145.368%0.67880%0.797SS**  trans-84.4146.2171.358.20000109.6
238D26.3Very low25.7Very low136 Ų136144.2 Ų144.273%0.72779%0.79SS**  156.7116.2124.2-74.5-8.4000112.2
239H25.9Very low25.9Very low172 Ų172143.5 Ų143.580%0.79679%0.794SS**  trans54.5117.9146.1-77.7-69.1000123.9
240V25.1Very low25.9Very low114 Ų114144.2 Ų144.269%0.69179%0.791SS**  trans7896.5139.1-174.20000118
241N25.4Very low25.8Very low160 Ų160146.7 Ų146.786%0.85680%0.797SS**  -161.3147.2108.6-100.3-49.1000111.4
242G25.4Very low25.7Very low73 Ų73147 Ų14775%0.75380%0.802SS**  trans-77.7126.2-166.600000114.7
243F25Very low25.9Very low208 Ų208146 Ų14691%0.91279%0.793SS**  trans-133.9128.4153.5-102.3-90.5000108.9A245F243-A245 PolarHBondContact O-N 2.87Å
244V24.1Very low25.9Very low140 Ų140145.8 Ų145.885%0.84879%0.793SS**  trans-72.596.9175177.20000108
245A27.9Very low26Very low90 Ų90145.6 Ų145.674%0.74479%0.792SS**  trans-69.6128.4167.700000108.9F243 K247F243-A245 PolarHBondContact O-N 2.87Å; A245-K247 PolarHBondContact O-N 3.04Å
246N28.1Very low26.4Very low134 Ų134141 Ų14172%0.71778%0.776SS**  trans-54.6108.1-174.2-88.6-19.6000113I248N246-I248 HydrophobicContact CB-CD1 3.81Å; N246-I248 HydrophobicContact CB-CG1 3.97Å; N246-I248 PolarHBondContact O-N 3.26Å
247K23.9Very low27Very low214 Ų214137.6 Ų137.693%0.9377%0.765SS**  trans-76.274162.4-165.9-179.2-173.2-176.60108.7A245A245-K247 PolarHBondContact O-N 3.04Å
248I29.5Very low27.3Very low136 Ų136137.3 Ų137.370%0.69776%0.762SS**  trans-79123.8177-77.1160.2000109.3N246 E250N246-I248 HydrophobicContact CB-CD1 3.81Å; N246-I248 HydrophobicContact CB-CG1 3.97Å; N246-I248 PolarHBondContact O-N 3.26Å; I248-E250 PolarHBondContact O-N 2.81Å
249C30Very low27.9Very low102 Ų102133.3 Ų133.369%0.68974%0.741SS**  trans-18.1102.4177.5-66.50000118M251C249-M251 HydrophobicContact CB-CB 4.32Å; C249-M251 PolarHBondContact O-N 2.85Å
250E24.9Very low29.1Very low199 Ų199127.8 Ų127.893%0.9372%0.721SS**  trans-76.380.3130-72.2177.8152.200108I248I248-E250 PolarHBondContact O-N 2.81Å
251M23.5Very low30.5Very low156 Ų156125.8 Ų125.877%0.76871%0.712SS**  trans-138.6102165.3-69.5-157.9106.600109.9C249C249-M251 HydrophobicContact CB-CB 4.32Å; C249-M251 PolarHBondContact O-N 2.85Å
252Q23.9Very low32Very low188 Ų188119.7 Ų119.788%0.87969%0.685SS**SBendtrans72.663.6156-148156.411.500117
253T27.8Very low33.7Very low110 Ų110116.3 Ų116.368%0.67565%0.649SS**  trans-127.535.1166.755.50000113.4S255T253-S255 VanDerWaalsContact C-N 3.32Å; T253-S255 PolarHBondContact O-N 3.44Å
254D24.8Very low35.4Very low158 Ų158108.5 Ų108.585%0.84562%0.62SS**THydrogen-bonded Turntrans-86.514.8-173.6-65-37.9000115.2
255S28.9Very low37.3Very low105 Ų105104.9 Ų104.973%0.73460%0.601SS**THydrogen-bonded Turntrans-135.57.5-17864.40000116T253T253-S255 VanDerWaalsContact C-N 3.32Å; T253-S255 PolarHBondContact O-N 3.44Å
256L34.4Very low39.2Very low103 Ų103101 Ų10154%0.53957%0.568SS.*SBendtrans-129.7-0.3-177.1-74.4170000114.5C258L256-C258 VanDerWaalsContact C-N 3.32Å; L256-C258 PolarHBondContact O-N 2.87Å
257S37.2Very low41.4Very low94 Ų9494.7 Ų94.766%0.65753%0.534SS*.Hα-helixtrans-69.5-2718052.90000113.6
258C32.5Very low43Very low92 Ų9289.8 Ų89.862%0.62252%0.518SS*.Hα-helixtrans-70.8-51.5-179.3-163.60000112.4L256 S260 S261L256-C258 VanDerWaalsContact C-N 3.32Å; L256-C258 PolarHBondContact O-N 2.87Å; C258-S260 VanDerWaalsContact C-N 3.35Å; C258-S260 PolarHBondContact O-N 3.48Å; C258-S261 WeakPolarHBondContact O-CB 3.26Å; C258-S261 PolarHBondContact O-N 3.07Å; C258-S261 VanDerWaalsContact O-N 3.11Å; C258-S261 PolarHBondContact O-OG 3.29Å
259D38.8Very low44.3Very low52 Ų5287.2 Ų87.228%0.27851%0.506SS..Hα-helixtrans-61.3-40.2-171.9-625.7000111.9S261 R609D259-S261 VanDerWaalsContact C-N 3.31Å; D259-S261 PolarHBondContact O-N 2.94Å; D259-R609 IonicContact OD2-NE 3.88Å; D259-R609 IonicContact OD2-NH2 3.63Å; D259-R609 PolarHBondContact OD2-NH2 3.08Å
260S51Low46Very low55 Ų5587.6 Ų87.639%0.38550%0.501SS..Hα-helixtrans-65.2-31.8178.6-1650000113.3C258 I263 S264C258-S260 VanDerWaalsContact C-N 3.35Å; C258-S260 PolarHBondContact O-N 3.48Å; S260-I263 PolarHBondContact O-N 3.49Å; S260-S264 PolarHBondContact O-N 3.38Å
261S53.3Low48.5Very low72 Ų7282.8 Ų82.850%0.50348%0.482SS..Hα-helixtrans-67.7-38.7-17472.30000113.1C258 D259 I263 S264 S265C258-S261 WeakPolarHBondContact O-CB 3.26Å; C258-S261 PolarHBondContact O-N 3.07Å; C258-S261 VanDerWaalsContact O-N 3.11Å; C258-S261 PolarHBondContact O-OG 3.29Å; D259-S261 VanDerWaalsContact C-N 3.31Å; D259-S261 PolarHBondContact O-N 2.94Å; S261-I263 VanDerWaalsContact C-N 3.26Å; S261-I263 PolarHBondContact O-N 2.8Å; S261-S264 PolarHBondContact O-N 3.06Å; S261-S265 PolarHBondContact O-N 2.68Å
262A57.2Low51.6Low33 Ų3376.4 Ų76.427%0.27345%0.451SS..Hα-helixtrans-69.4-23.4-179.800000113.4S265A262-S265 PolarHBondContact O-OG 2.82Å; A262-S265 VanDerWaalsContact O-OG 3.08Å
263I60.7Low54.9Low2 Ų268.2 Ų68.21%0.0142%0.415CS..Hα-helixtrans-90.7-35.1178.6-39.7155.4000110.1I198 S260 S261 S265 L266 F267 F308 L612I198-I263 HydrophobicContact CD1-CD1 3.82Å; I198-I263 HydrophobicContact CG2-CB 3.69Å; I198-I263 HydrophobicContact CG2-CG2 3.54Å; S260-I263 PolarHBondContact O-N 3.49Å; S261-I263 VanDerWaalsContact C-N 3.26Å; S261-I263 PolarHBondContact O-N 2.8Å; I263-S265 PolarHBondContact O-N 2.67Å; I263-L266 HydrophobicContact CB-CD1 4.39Å; I263-L266 HydrophobicContact CG2-CD1 3.68Å; I263-L266 HydrophobicContact CG2-CG 4.34Å; I263-L266 VanDerWaalsContact O-CB 3.26Å; I263-L266 WeakPolarHBondContact O-CB 3.22Å; I263-L266 VanDerWaalsContact O-CG 3.28Å; I263-L266 WeakPolarHBondContact O-CG 3.48Å; I263-L266 PolarHBondContact O-N 3.33Å; I263-F267 HydrophobicContact CG2-CE2 4.3Å; I263-F308 HydrophobicContact CG2-CE1 4.19Å; I263-F308 HydrophobicContact CG2-CZ 4.24Å; I263-L612 VanDerWaalsContact CD1-CA 3.49Å; I263-L612 HydrophobicContact CD1-CB 3.63Å; I263-L612 HydrophobicContact CD1-CD2 3.42Å; I263-L612 VanDerWaalsContact CD1-CD2 3.42Å; I263-L612 HydrophobicContact CD1-CG 4.05Å; I263-L612 VanDerWaalsContact CD1-O 3.31Å; I263-L612 WeakPolarHBondContact CD1-O 3.41Å; I263-L612 WeakPolarHBondContact CG1-O 3.3Å
264S61.4Low58.1Low43 Ų4363 Ų6330%0.30138%0.383SS..Hα-helixtrans-64.5-24.4177.4-156.50000112.1S260 S261S260-S264 PolarHBondContact O-N 3.38Å; S261-S264 PolarHBondContact O-N 3.06Å
265S64.2Low61.5Low65 Ų6557.3 Ų57.346%0.45535%0.352SS..THydrogen-bonded Turntrans-76.7-14.9171.367.70000114.5S261 A262 I263 F267S261-S265 PolarHBondContact O-N 2.68Å; A262-S265 PolarHBondContact O-OG 2.82Å; A262-S265 VanDerWaalsContact O-OG 3.08Å; I263-S265 PolarHBondContact O-N 2.67Å; S265-F267 PolarHBondContact O-N 3.46Å
266L68.1Low64.7Low7 Ų753 Ų534%0.03732%0.321CS..THydrogen-bonded Turntrans-71.4-20.9176.6-52-177.4000113I263 Y294 F308 E616 I619I263-L266 HydrophobicContact CB-CD1 4.39Å; I263-L266 HydrophobicContact CG2-CD1 3.68Å; I263-L266 HydrophobicContact CG2-CG 4.34Å; I263-L266 VanDerWaalsContact O-CB 3.26Å; I263-L266 WeakPolarHBondContact O-CB 3.22Å; I263-L266 VanDerWaalsContact O-CG 3.28Å; I263-L266 WeakPolarHBondContact O-CG 3.48Å; I263-L266 PolarHBondContact O-N 3.33Å; L266-Y294 PolarHBondContact O-OH 2.71Å; L266-F308 HydrophobicContact CD1-CE2 3.94Å; L266-F308 HydrophobicContact CD1-CZ 3.64Å; L266-E616 HydrophobicContact CD2-CB 3.38Å; L266-E616 HydrophobicContact CD2-CG 3.74Å; L266-I619 HydrophobicContact CD1-CD1 3.83Å; L266-I619 HydrophobicContact CD2-CD1 3.6Å; L266-I619 HydrophobicContact CG-CD1 4.17Å
267F72.5Confident67.8Low3 Ų348.6 Ų48.61%0.01330%0.297CS..SBendtrans-116.687.9-173.4-56.9-47.1000107.5I198 G199 I263 S265 Y294 L305 F308I198-F267 HydrophobicContact CG2-CD2 4.11Å; I198-F267 HydrophobicContact CG2-CE2 4Å; G199-F267 VanDerWaalsContact CA-CD2 3.47Å; I263-F267 HydrophobicContact CG2-CE2 4.3Å; S265-F267 PolarHBondContact O-N 3.46Å; F267-Y294 AromaticContact CE1-CD1 3.76Å; F267-Y294 HydrophobicContact CE1-CD1 3.76Å; F267-Y294 AromaticContact CE1-CE1 3.93Å; F267-Y294 HydrophobicContact CE1-CE1 3.93Å; F267-Y294 HydrophobicContact CE1-CG 4.1Å; F267-L305 HydrophobicContact CE2-CD2 4.39Å; F267-F308 HydrophobicContact CZ-CD1 4.28Å; F267-F308 HydrophobicContact CZ-CD2 4.22Å; F267-F308 HydrophobicContact CZ-CE1 4.48Å; F267-F308 HydrophobicContact CZ-CE2 4.41Å; F267-F308 HydrophobicContact CZ-CG 4.14Å
268D59.5Low70.7Confident111 Ų11144.8 Ų44.859%0.59427%0.271SS*.  trans-37.3140.9178.5-87-31.7000112.3N270D268-N270 PolarHBondContact O-N 2.88Å
269D55.6Low73.8Confident81 Ų8141.8 Ų41.843%0.43325%0.248SC..SBendtrans-66.411.9176.5-67.9-54.7000114S221 N223S221-D269 WeakPolarHBondContact CB-OD1 3.45Å; S221-D269 PolarHBondContact OG-OD1 2.98Å; N223-D269 PolarHBondContact ND2-O 2.87Å
270N66.9Low76.5Confident111 Ų11139.3 Ų39.359%0.59424%0.235SC*.SBendtrans-101.3138178.4-67.8-45.4000110.2D268 V272D268-N270 PolarHBondContact O-N 2.88Å; N270-V272 WeakPolarHBondContact O-CG2 3.45Å; N270-V272 PolarHBondContact O-N 3.33Å; N270-V272 VanDerWaalsContact O-N 3.09Å
271N76.8Confident78.5Confident98 Ų9839.8 Ų39.852%0.52424%0.236SC..  trans-60.8112.8172.7-79.526.2000110.7S173S173-N271 WeakPolarHBondContact O-CB 3.36Å; S173-N271 PolarHBondContact O-ND2 2.65Å
272V88.5Confident80.3Confident21 Ų2139.5 Ų39.513%0.12723%0.234CC..PPolyproline II helixtrans-92.5131.3178.5-1720000110.8G174 N270 I274 T290 E291 D292G174-V272 WeakPolarHBondContact CA-O 3.36Å; N270-V272 WeakPolarHBondContact O-CG2 3.45Å; N270-V272 PolarHBondContact O-N 3.33Å; N270-V272 VanDerWaalsContact O-N 3.09Å; V272-I274 PolarHBondContact O-N 3.32Å; V272-T290 HydrophobicContact CG1-CG2 4.33Å; V272-E291 HydrophobicContact CG1-CB 4.24Å; V272-D292 HydrophobicContact CG1-CB 3.66Å; V272-D292 HydrophobicContact CG2-CB 4.14Å
273S92.3Very high82Confident17 Ų1738.1 Ų38.112%0.11922%0.223CC..PPolyproline II helixtrans-57.3131.7175.3-1760000112.1S172 T290 E291S172-S273 WeakPolarHBondContact CA-OG 3.41Å; S273-T290 VanDerWaalsContact O-CA 3.3Å; S273-T290 WeakPolarHBondContact O-CA 3.28Å; S273-T290 WeakPolarHBondContact O-CB 3.36Å; S273-E291 VanDerWaalsContact CB-OE2 3.28Å; S273-E291 WeakPolarHBondContact CB-OE2 3.36Å; S273-E291 PolarHBondContact O-N 2.92Å
274I95.7Very high83.7Confident0 Ų041.1 Ų41.10%023%0.234CC..EExtended strand (participates in β ladder)trans-89.1118.8172.9-65.7165.3000108.3T155 M176 L219 V272 I288 T290T155-I274 WeakPolarHBondContact CB-O 3.3Å; T155-I274 VanDerWaalsContact CG2-O 3.27Å; T155-I274 WeakPolarHBondContact CG2-O 3.39Å; T155-I274 PolarHBondContact OG1-O 2.81Å; M176-I274 HydrophobicContact CG-CD1 3.4Å; M176-I274 HydrophobicContact SD-CD1 4.12Å; L219-I274 HydrophobicContact CD1-CD1 3.74Å; L219-I274 HydrophobicContact CD1-CG1 3.67Å; L219-I274 HydrophobicContact CG-CD1 4.17Å; V272-I274 PolarHBondContact O-N 3.32Å; I274-I288 HydrophobicContact CD1-CG2 4.29Å; I274-I288 HydrophobicContact CG1-CG2 4.12Å; I274-I288 HydrophobicContact CG2-CG2 3.68Å; I274-T290 HydrophobicContact CB-CG2 4.48Å; I274-T290 HydrophobicContact CG1-CG2 3.85Å
275N95.5Very high85.4Confident38 Ų3839.9 Ų39.920%0.20322%0.223CC..EExtended strand (participates in β ladder)trans-82.7-43.3-178.9-71.2-32000111.9I289 L316N275-I289 PolarHBondContact N-O 3.02Å; N275-L316 WeakPolarHBondContact CB-O 3.28Å; N275-L316 PolarHBondContact ND2-O 3.42Å
276Q97.4Very high87Confident16 Ų1636.9 Ų36.98%0.07520%0.202CC..EExtended strand (participates in β ladder)trans-156.4157.8177.1-164.5-178.9-21.700110.3I289 V319Q276-I289 HydrophobicContact CB-CD1 3.95Å; Q276-I289 HydrophobicContact CB-CG1 3.93Å; Q276-I289 VanDerWaalsContact O-CG1 3.22Å; Q276-I289 WeakPolarHBondContact O-CG1 3.46Å; Q276-I289 PolarHBondContact O-N 3Å; Q276-V319 HydrophobicContact CB-CG1 4.19Å; Q276-V319 HydrophobicContact CG-CG1 4.17Å; Q276-V319 PolarHBondContact NE2-O 2.91Å
277F98.4Very high88.5Confident9 Ų936.6 Ų36.64%0.03920%0.201CC..EExtended strand (participates in β ladder)trans-130.1160161.167.6-92.9000110.6C156 L168 M176 F279 L286 A287 I288C156-F277 HydrophobicContact CB-CD1 3.7Å; C156-F277 HydrophobicContact CB-CE1 3.64Å; C156-F277 WeakPolarHBondContact O-CE1 3.2Å; L168-F277 HydrophobicContact CB-CE2 4.06Å; L168-F277 HydrophobicContact CB-CZ 3.91Å; L168-F277 HydrophobicContact CD2-CD2 4.17Å; L168-F277 HydrophobicContact CD2-CE2 3.98Å; L168-F277 HydrophobicContact CD2-CZ 4.27Å; L168-F277 HydrophobicContact CG-CE2 4.3Å; L168-F277 HydrophobicContact CG-CZ 4.13Å; L168-F277 WeakPolarHBondContact O-CZ 3.19Å; M176-F277 HydrophobicContact CE-CB 3.66Å; M176-F277 HydrophobicContact CE-CD1 3.3Å; M176-F277 HydrophobicContact CE-CD2 4.15Å; M176-F277 HydrophobicContact CE-CE1 3.91Å; M176-F277 HydrophobicContact CE-CG 3.43Å; M176-F277 VanDerWaalsContact CE-CG 3.43Å; F277-F279 HydrophobicContact CE2-CD2 4.34Å; F277-F279 HydrophobicContact CE2-CE2 4.06Å; F277-L286 HydrophobicContact CB-CD1 4.02Å; F277-L286 HydrophobicContact CD2-CD1 3.61Å; F277-L286 HydrophobicContact CE2-CD1 4.49Å; F277-L286 HydrophobicContact CG-CD1 4.16Å; F277-A287 CarbonylContact C-O 3.54Å; F277-A287 WeakPolarHBondContact CA-O 3.39Å; F277-A287 WeakPolarHBondContact CB-O 3.4Å; F277-I288 HydrophobicContact CB-CG1 4.32Å; F277-I288 HydrophobicContact CB-CG2 4.47Å
278A98.3Very high89.7Confident14 Ų1436.5 Ų36.512%0.11620%0.2CC..EExtended strand (participates in β ladder)trans-144.8131.8171.800000110.1A287 V319 W321A278-A287 PolarHBondContact N-O 3.21Å; A278-A287 PolarHBondContact O-N 3.26Å; A278-V319 HydrophobicContact CB-CG1 4.12Å; A278-W321 PolarHBondContact O-NE1 3.26Å
279F97.6Very high91.5Very high29 Ų2931.2 Ų31.213%0.12717%0.172CC..EExtended strand (participates in β ladder)trans-74.2144.7167.6-74.5-80.3000110.3V160 P161 L168 F277 F285 L286 Y300V160-F279 HydrophobicContact CB-CZ 4.41Å; V160-F279 HydrophobicContact CG1-CZ 4.46Å; V160-F279 HydrophobicContact CG2-CE2 4.35Å; V160-F279 HydrophobicContact CG2-CZ 3.95Å; P161-F279 VanDerWaalsContact CD-CG 3.46Å; P161-F279 HydrophobicContact CG-CB 3.63Å; P161-F279 HydrophobicContact CG-CD1 4.24Å; P161-F279 HydrophobicContact CG-CD2 4.34Å; P161-F279 HydrophobicContact CG-CG 3.84Å; L168-F279 HydrophobicContact CB-CE2 4.11Å; L168-F279 HydrophobicContact CB-CZ 4.17Å; L168-F279 HydrophobicContact CD2-CE2 4.15Å; L168-F279 HydrophobicContact CD2-CZ 3.8Å; F277-F279 HydrophobicContact CE2-CD2 4.34Å; F277-F279 HydrophobicContact CE2-CE2 4.06Å; F279-F285 WeakPolarHBondContact CA-O 3.11Å; F279-L286 HydrophobicContact CD1-CB 4.34Å; F279-L286 HydrophobicContact CD1-CD1 4.04Å; F279-L286 HydrophobicContact CD2-CD1 4.32Å; F279-L286 HydrophobicContact CE1-CB 4.39Å; F279-L286 HydrophobicContact CE1-CD1 4.04Å; F279-L286 HydrophobicContact CE2-CD1 4.32Å; F279-L286 HydrophobicContact CG-CD1 4.18Å; F279-L286 HydrophobicContact CZ-CD1 4.17Å; F279-Y300 HydrophobicContact CE1-CD1 4.07Å; F279-Y300 AromaticContact CE1-CD2 3.72Å; F279-Y300 HydrophobicContact CE1-CD2 3.72Å; F279-Y300 HydrophobicContact CE1-CE1 4.22Å; F279-Y300 AromaticContact CE1-CE2 3.89Å; F279-Y300 HydrophobicContact CE1-CE2 3.89Å; F279-Y300 AromaticContact CE1-CG 3.82Å; F279-Y300 HydrophobicContact CE1-CG 3.82Å; F279-Y300 HydrophobicContact CZ-CD2 4.32Å; F279-Y300 HydrophobicContact CZ-CE2 4.06Å
280S96.6Very high93.4Very high1 Ų127.3 Ų27.31%0.00715%0.151CC..  trans-65.4147.6168.666.60000110.6C282 G283 R284 F285S280-C282 PolarHBondContact O-N 2.65Å; S280-C282 VanDerWaalsContact O-N 3.16Å; S280-C282 PolarHBondContact OG-SG 2.63Å; S280-G283 WeakPolarHBondContact O-CA 3.31Å; S280-G283 PolarHBondContact O-N 3.01Å; S280-R284 PolarHBondContact OG-N 3.37Å; S280-F285 PolarHBondContact N-O 3.25Å; S280-F285 PolarHBondContact OG-N 3.09Å; S280-F285 VanDerWaalsContact OG-N 3.08Å; S280-F285 PolarHBondContact OG-O 3.16Å
281P93.1Very high94.6Very high64 Ų6427.2 Ų27.242%0.41615%0.147SC..THydrogen-bonded Turntrans-52.4-34.2174.5-31.735.9000114.3G283 W321 S322 P323 S325P281-G283 PolarHBondContact O-N 3.23Å; P281-W321 HydrophobicContact CG-CB 4.37Å; P281-S322 WeakPolarHBondContact CG-O 3.32Å; P281-P323 WeakPolarHBondContact CB-O 3.36Å; P281-S325 VanDerWaalsContact CD-OG 3.28Å; P281-S325 WeakPolarHBondContact CD-OG 3.27Å
282C90.9Very high95.3Very high67 Ų6724.6 Ų24.645%0.45313%0.133SC..THydrogen-bonded Turntrans-74-2.2174.268.20000115S280 R284 S325S280-C282 PolarHBondContact O-N 2.65Å; S280-C282 VanDerWaalsContact O-N 3.16Å; S280-C282 PolarHBondContact OG-SG 2.63Å; C282-R284 PolarHBondContact O-N 3.17Å; C282-R284 VanDerWaalsContact O-N 3.07Å; C282-S325 PolarHBondContact N-OG 2.85Å; C282-S325 VanDerWaalsContact N-OG 3.13Å
283G92.7Very high95.5Very high4 Ų423.6 Ų23.64%0.04113%0.127CC..SBendtrans72.2-8.5178.300000116.4S280 P281S280-G283 WeakPolarHBondContact O-CA 3.31Å; S280-G283 PolarHBondContact O-N 3.01Å; P281-G283 PolarHBondContact O-N 3.23Å
284R95Very high95.6Very high64 Ų6423 Ų2324%0.24212%0.122CC..SBendtrans-76.5-34.9-174.8-177.4172.8-179168.7-6.8114.1S280 C282 E299 Y300 R604S280-R284 PolarHBondContact OG-N 3.37Å; C282-R284 PolarHBondContact O-N 3.17Å; C282-R284 VanDerWaalsContact O-N 3.07Å; R284-E299 HydrophobicContact CG-CG 4.43Å; R284-E299 IonicContact CZ-OE1 2.71Å; R284-E299 IonicContact NE-OE1 3.16Å; R284-E299 PolarHBondContact NE-OE1 3.31Å; R284-E299 IonicContact NH2-OE1 3.61Å; R284-E299 PolarHBondContact NH2-OE1 2.96Å; R284-Y300 PolarHBondContact O-N 3.13Å; R284-R604 VanDerWaalsContact NH2-NH2 3.19Å
285F97.6Very high95.6Very high17 Ų1723 Ų238%0.07512%0.122CC..EExtended strand (participates in β ladder)trans-116.6152.8-171.9-59.3-71.3000111.8F279 S280 V297 M298 E299 Y306 W321 V342F279-F285 WeakPolarHBondContact CA-O 3.11Å; S280-F285 PolarHBondContact N-O 3.25Å; S280-F285 PolarHBondContact OG-N 3.09Å; S280-F285 VanDerWaalsContact OG-N 3.08Å; S280-F285 PolarHBondContact OG-O 3.16Å; F285-V297 HydrophobicContact CB-CG1 4.19Å; F285-V297 HydrophobicContact CD1-CG1 4.38Å; F285-M298 CarbonylContact C-O 3.52Å; F285-M298 VanDerWaalsContact CA-O 3.29Å; F285-M298 WeakPolarHBondContact CA-O 3.32Å; F285-E299 HydrophobicContact CD1-CB 4.3Å; F285-E299 HydrophobicContact CE1-CB 4.26Å; F285-E299 HydrophobicContact CE1-CG 4.36Å; F285-Y306 HydrophobicContact CD1-CD1 4.45Å; F285-Y306 HydrophobicContact CD1-CG 4.21Å; F285-Y306 HydrophobicContact CE1-CD1 4.13Å; F285-Y306 AromaticContact CE1-CD2 3.67Å; F285-Y306 HydrophobicContact CE1-CD2 3.67Å; F285-Y306 HydrophobicContact CE1-CE1 4.42Å; F285-Y306 AromaticContact CE1-CE2 3.99Å; F285-Y306 HydrophobicContact CE1-CE2 3.99Å; F285-Y306 AromaticContact CE1-CG 3.75Å; F285-Y306 HydrophobicContact CE1-CG 3.75Å; F285-Y306 HydrophobicContact CZ-CD2 4.28Å; F285-Y306 HydrophobicContact CZ-CE2 4.13Å; F285-W321 HydrophobicContact CB-CH2 3.46Å; F285-W321 VanDerWaalsContact CB-CH2 3.46Å; F285-W321 HydrophobicContact CB-CZ2 3.82Å; F285-W321 HydrophobicContact CB-CZ3 4.38Å; F285-W321 HydrophobicContact CD2-CH2 4.38Å; F285-W321 HydrophobicContact CG-CH2 4.2Å; F285-V342 HydrophobicContact CE2-CG1 4.4Å
286L98.2Very high95.6Very high3 Ų321.3 Ų21.32%0.01611%0.113CC..EExtended strand (participates in β ladder)trans-128.9112176.6174.367.7000108.1L168 M176 F277 F279 I288 M298 Y300L168-L286 HydrophobicContact CD2-CD1 3.97Å; L168-L286 HydrophobicContact CD2-CD2 3.59Å; L168-L286 HydrophobicContact CD2-CG 4.45Å; M176-L286 HydrophobicContact CE-CD2 4.26Å; M176-L286 HydrophobicContact SD-CD2 4.43Å; F277-L286 HydrophobicContact CB-CD1 4.02Å; F277-L286 HydrophobicContact CD2-CD1 3.61Å; F277-L286 HydrophobicContact CE2-CD1 4.49Å; F277-L286 HydrophobicContact CG-CD1 4.16Å; F279-L286 HydrophobicContact CD1-CB 4.34Å; F279-L286 HydrophobicContact CD1-CD1 4.04Å; F279-L286 HydrophobicContact CD2-CD1 4.32Å; F279-L286 HydrophobicContact CE1-CB 4.39Å; F279-L286 HydrophobicContact CE1-CD1 4.04Å; F279-L286 HydrophobicContact CE2-CD1 4.32Å; F279-L286 HydrophobicContact CG-CD1 4.18Å; F279-L286 HydrophobicContact CZ-CD1 4.17Å; L286-I288 HydrophobicContact CD2-CD1 4.09Å; L286-I288 HydrophobicContact CD2-CG1 4.15Å; L286-I288 HydrophobicContact CG-CD1 4.35Å; L286-I288 HydrophobicContact CG-CG1 3.92Å; L286-M298 HydrophobicContact CB-CB 4.39Å; L286-M298 PolarHBondContact N-O 2.94Å; L286-M298 PolarHBondContact O-N 3.17Å; L286-Y300 HydrophobicContact CD2-CD2 4.33Å
287A98.5Very high95.6Very high0 Ų020.6 Ų20.60%011%0.11CC..EExtended strand (participates in β ladder)trans-85.2132.4170.600000109.1F277 A278 V319 W321 I328F277-A287 CarbonylContact C-O 3.54Å; F277-A287 WeakPolarHBondContact CA-O 3.39Å; F277-A287 WeakPolarHBondContact CB-O 3.4Å; A278-A287 PolarHBondContact N-O 3.21Å; A278-A287 PolarHBondContact O-N 3.26Å; A287-V319 HydrophobicContact CB-CG2 3.99Å; A287-W321 HydrophobicContact CB-CZ2 3.76Å; A287-I328 HydrophobicContact CB-CD1 4.13Å; A287-I328 HydrophobicContact CB-CG2 4.42Å
288I98.2Very high95.4Very high1 Ų120.3 Ų20.31%0.00511%0.109CC..EExtended strand (participates in β ladder)trans-129.2130.2178.6-46.2162.3000107.8M176 L219 I274 F277 L286 M295 R296 M298M176-I288 HydrophobicContact CE-CD1 4.5Å; M176-I288 HydrophobicContact CE-CG1 4.32Å; M176-I288 HydrophobicContact SD-CD1 3.55Å; M176-I288 VanDerWaalsContact SD-CD1 3.55Å; M176-I288 HydrophobicContact SD-CG1 3.96Å; M176-I288 HydrophobicContact SD-CG2 4.21Å; L219-I288 HydrophobicContact CD1-CG2 3.9Å; L219-I288 HydrophobicContact CD2-CD1 4.5Å; I274-I288 HydrophobicContact CD1-CG2 4.29Å; I274-I288 HydrophobicContact CG1-CG2 4.12Å; I274-I288 HydrophobicContact CG2-CG2 3.68Å; F277-I288 HydrophobicContact CB-CG1 4.32Å; F277-I288 HydrophobicContact CB-CG2 4.47Å; L286-I288 HydrophobicContact CD2-CD1 4.09Å; L286-I288 HydrophobicContact CD2-CG1 4.15Å; L286-I288 HydrophobicContact CG-CD1 4.35Å; L286-I288 HydrophobicContact CG-CG1 3.92Å; I288-M295 CarbonylContact O-C 3.54Å; I288-M295 WeakPolarHBondContact O-CA 3.28Å; I288-R296 PolarHBondContact N-O 3.13Å; I288-R296 PolarHBondContact O-N 2.97Å; I288-M298 HydrophobicContact CD1-CG 3.82Å
289I97.5Very high95.2Very high0 Ų020.1 Ų20.10%011%0.105CC..EExtended strand (participates in β ladder)trans-118.4142.2177.353.8160000111.6N275 Q276 M295 L316 C318 V319 T330N275-I289 PolarHBondContact N-O 3.02Å; Q276-I289 HydrophobicContact CB-CD1 3.95Å; Q276-I289 HydrophobicContact CB-CG1 3.93Å; Q276-I289 VanDerWaalsContact O-CG1 3.22Å; Q276-I289 WeakPolarHBondContact O-CG1 3.46Å; Q276-I289 PolarHBondContact O-N 3Å; I289-M295 HydrophobicContact CG2-CB 3.89Å; I289-M295 HydrophobicContact CG2-CG 3.8Å; I289-L316 HydrophobicContact CB-CB 3.83Å; I289-L316 HydrophobicContact CB-CD1 4.49Å; I289-L316 HydrophobicContact CD1-CB 4.24Å; I289-L316 HydrophobicContact CG2-CB 4.01Å; I289-L316 HydrophobicContact CG2-CD1 3.9Å; I289-C318 VanDerWaalsContact CD1-CA 3.47Å; I289-V319 HydrophobicContact CD1-CB 3.99Å; I289-V319 HydrophobicContact CD1-CG1 4.04Å; I289-V319 HydrophobicContact CG1-CB 4.14Å; I289-V319 HydrophobicContact CG1-CG1 3.86Å; I289-V319 HydrophobicContact CG2-CB 4.01Å; I289-V319 HydrophobicContact CG2-CG1 4.38Å; I289-V319 HydrophobicContact CG2-CG2 4.36Å; I289-T330 HydrophobicContact CG2-CG2 4.01Å
290T95.3Very high95.1Very high0 Ų019.6 Ų19.60%010%0.103CC..EExtended strand (participates in β ladder)trans-131.9160.8-16940.40000112.7L219 V272 S273 I274 D292 G293 Y294 R296 L316L219-T290 HydrophobicContact CD1-CG2 3.64Å; V272-T290 HydrophobicContact CG1-CG2 4.33Å; S273-T290 VanDerWaalsContact O-CA 3.3Å; S273-T290 WeakPolarHBondContact O-CA 3.28Å; S273-T290 WeakPolarHBondContact O-CB 3.36Å; I274-T290 HydrophobicContact CB-CG2 4.48Å; I274-T290 HydrophobicContact CG1-CG2 3.85Å; T290-D292 WeakPolarHBondContact CB-OD1 3.42Å; T290-D292 PolarHBondContact O-N 2.8Å; T290-D292 PolarHBondContact OG1-OD1 3.29Å; T290-D292 PolarHBondContact OG1-OD2 2.79Å; T290-G293 PolarHBondContact O-N 3.38Å; T290-G293 VanDerWaalsContact O-N 3.16Å; T290-Y294 PolarHBondContact N-O 3.42Å; T290-Y294 VanDerWaalsContact N-O 3.14Å; T290-Y294 PolarHBondContact OG1-O 3.33Å; T290-Y294 VanDerWaalsContact OG1-O 3.1Å; T290-R296 PolarHBondContact OG1-NH1 3.16Å; T290-L316 PolarHBondContact O-N 2.95Å
291E92.8Very high95Very high109 Ų10925.9 Ų25.951%0.50913%0.132SC..THydrogen-bonded Turntrans-66.6-21.4-177.6-170.1172.3-168.700113.8V272 S273 G293 G315V272-E291 HydrophobicContact CG1-CB 4.24Å; S273-E291 VanDerWaalsContact CB-OE2 3.28Å; S273-E291 WeakPolarHBondContact CB-OE2 3.36Å; S273-E291 PolarHBondContact O-N 2.92Å; E291-G293 PolarHBondContact O-N 3.3Å; E291-G315 WeakPolarHBondContact O-CA 3.43Å
292D90.9Very high95Very high43 Ų4327.7 Ų27.723%0.2314%0.135CC..THydrogen-bonded Turntrans-67.5-7.3171.362.24.1000114.6V272 T290 Y294 R296V272-D292 HydrophobicContact CG1-CB 3.66Å; V272-D292 HydrophobicContact CG2-CB 4.14Å; T290-D292 WeakPolarHBondContact CB-OD1 3.42Å; T290-D292 PolarHBondContact O-N 2.8Å; T290-D292 PolarHBondContact OG1-OD1 3.29Å; T290-D292 PolarHBondContact OG1-OD2 2.79Å; D292-Y294 HydrophobicContact CB-CD2 4.13Å; D292-Y294 WeakPolarHBondContact OD1-CB 3.1Å; D292-Y294 PolarHBondContact OD1-N 3.16Å; D292-R296 IonicContact OD1-NH1 2.93Å; D292-R296 IonicContact OD2-CZ 3.25Å; D292-R296 IonicContact OD2-NH1 2.7Å; D292-R296 PolarHBondContact OD2-NH1 2.79Å; D292-R296 IonicContact OD2-NH2 3.32Å; D292-R296 PolarHBondContact OD2-NH2 3.31Å
293G93.3Very high95.2Very high0 Ų025.5 Ų25.50%012%0.118CC..SBendtrans89.75.5-178.200000114.9T290 E291 S311 G314T290-G293 PolarHBondContact O-N 3.38Å; T290-G293 VanDerWaalsContact O-N 3.16Å; E291-G293 PolarHBondContact O-N 3.3Å; G293-S311 WeakPolarHBondContact CA-OG 3.4Å; G293-S311 WeakPolarHBondContact O-CB 3.17Å; G293-S311 PolarHBondContact O-N 3.09Å; G293-S311 PolarHBondContact O-OG 3.16Å; G293-G314 WeakPolarHBondContact CA-O 3.49Å
294Y94.2Very high95.1Very high4 Ų428.8 Ų28.82%0.01613%0.132CC..EExtended strand (participates in β ladder)trans-92.5142.6178.1-73.1-93000113L266 F267 T290 D292 F308 M309 R310L266-Y294 PolarHBondContact O-OH 2.71Å; F267-Y294 AromaticContact CE1-CD1 3.76Å; F267-Y294 HydrophobicContact CE1-CD1 3.76Å; F267-Y294 AromaticContact CE1-CE1 3.93Å; F267-Y294 HydrophobicContact CE1-CE1 3.93Å; F267-Y294 HydrophobicContact CE1-CG 4.1Å; T290-Y294 PolarHBondContact N-O 3.42Å; T290-Y294 VanDerWaalsContact N-O 3.14Å; T290-Y294 PolarHBondContact OG1-O 3.33Å; T290-Y294 VanDerWaalsContact OG1-O 3.1Å; D292-Y294 HydrophobicContact CB-CD2 4.13Å; D292-Y294 WeakPolarHBondContact OD1-CB 3.1Å; D292-Y294 PolarHBondContact OD1-N 3.16Å; Y294-F308 AromaticContact CD1-CD2 3.93Å; Y294-F308 HydrophobicContact CD1-CD2 3.93Å; Y294-F308 HydrophobicContact CD1-CE2 4.45Å; Y294-F308 HydrophobicContact CE1-CD2 4.02Å; Y294-F308 HydrophobicContact CE1-CE2 4.07Å; Y294-M309 WeakPolarHBondContact CA-O 3.17Å; Y294-M309 WeakPolarHBondContact CD1-O 3.22Å; Y294-R310 HydrophobicContact CD1-CB 4.07Å; Y294-R310 HydrophobicContact CD1-CG 4.35Å; Y294-R310 HydrophobicContact CD2-CG 4.48Å; Y294-R310 HydrophobicContact CE1-CB 3.88Å; Y294-R310 HydrophobicContact CE1-CG 4.07Å; Y294-R310 HydrophobicContact CE2-CG 4.24Å; Y294-R310 PolarHBondContact OH-NH1 3.13Å
295M96.7Very high94.8Very high0 Ų027.3 Ų27.30%013%0.129CC..EExtended strand (participates in β ladder)trans-103.8126.8158.5-177.2-177.18300107.9I288 I289 V297 F308 M309 L316 I328 T330 W340I288-M295 CarbonylContact O-C 3.54Å; I288-M295 WeakPolarHBondContact O-CA 3.28Å; I289-M295 HydrophobicContact CG2-CB 3.89Å; I289-M295 HydrophobicContact CG2-CG 3.8Å; M295-V297 HydrophobicContact CE-CG2 3.68Å; M295-F308 CarbonylContact O-C 3.59Å; M295-F308 WeakPolarHBondContact O-CA 3.43Å; M295-F308 WeakPolarHBondContact O-CB 3.31Å; M295-M309 HydrophobicContact CB-CE 4.29Å; M295-M309 HydrophobicContact CB-CG 3.76Å; M295-M309 HydrophobicContact CE-CE 3.55Å; M295-M309 HydrophobicContact CE-CG 4.04Å; M295-M309 PolarHBondContact N-O 2.99Å; M295-M309 PolarHBondContact O-N 3.48Å; M295-M309 HydrophobicContact SD-CE 3.57Å; M295-M309 VanDerWaalsContact SD-CE 3.57Å; M295-L316 HydrophobicContact CB-CD1 3.78Å; M295-I328 HydrophobicContact CE-CB 4.27Å; M295-I328 HydrophobicContact CE-CD1 3.78Å; M295-I328 HydrophobicContact CE-CG2 4.28Å; M295-I328 HydrophobicContact SD-CB 4.19Å; M295-I328 HydrophobicContact SD-CD1 4.18Å; M295-I328 HydrophobicContact SD-CG2 3.57Å; M295-I328 VanDerWaalsContact SD-CG2 3.57Å; M295-T330 HydrophobicContact CG-CG2 4.34Å; M295-T330 HydrophobicContact SD-CG2 3.5Å; M295-T330 VanDerWaalsContact SD-CG2 3.5Å; M295-W340 HydrophobicContact CE-CB 4.06Å; M295-W340 HydrophobicContact CE-CD2 3.55Å; M295-W340 HydrophobicContact CE-CE3 3.79Å; M295-W340 HydrophobicContact CE-CG 3.69Å; M295-W340 HydrophobicContact CE-CZ3 4.37Å
296R94.8Very high94.6Very high3 Ų328.1 Ų28.11%0.01113%0.132CC..EExtended strand (participates in β ladder)trans-114.5125.6174.1-63.2176.9-170.578.6-5.2108.7I288 T290 D292 L305 F308I288-R296 PolarHBondContact N-O 3.13Å; I288-R296 PolarHBondContact O-N 2.97Å; T290-R296 PolarHBondContact OG1-NH1 3.16Å; D292-R296 IonicContact OD1-NH1 2.93Å; D292-R296 IonicContact OD2-CZ 3.25Å; D292-R296 IonicContact OD2-NH1 2.7Å; D292-R296 PolarHBondContact OD2-NH1 2.79Å; D292-R296 IonicContact OD2-NH2 3.32Å; D292-R296 PolarHBondContact OD2-NH2 3.31Å; R296-L305 HydrophobicContact CB-CD1 3.98Å; R296-L305 HydrophobicContact CG-CD1 4.35Å; R296-F308 HydrophobicContact CG-CB 4.44Å
297V96.9Very high94.3Very high0 Ų028 Ų280%013%0.131CC..EExtended strand (participates in β ladder)trans-103119.2175.2-174.20000107.8F285 M295 Y306 G307 W321 I328 W340F285-V297 HydrophobicContact CB-CG1 4.19Å; F285-V297 HydrophobicContact CD1-CG1 4.38Å; M295-V297 HydrophobicContact CE-CG2 3.68Å; V297-Y306 HydrophobicContact CB-CD1 4.45Å; V297-Y306 HydrophobicContact CG1-CD1 4.04Å; V297-Y306 WeakPolarHBondContact O-CA 3.49Å; V297-Y306 WeakPolarHBondContact O-CB 3.47Å; V297-Y306 PolarHBondContact O-N 3.39Å; V297-G307 PolarHBondContact N-O 2.93Å; V297-G307 PolarHBondContact O-N 2.92Å; V297-W321 HydrophobicContact CG1-CH2 4.05Å; V297-W321 HydrophobicContact CG1-CZ2 4.34Å; V297-I328 HydrophobicContact CG1-CD1 4.4Å; V297-I328 HydrophobicContact CG2-CD1 3.48Å; V297-I328 VanDerWaalsContact CG2-CD1 3.48Å; V297-W340 HydrophobicContact CB-CH2 4.17Å; V297-W340 HydrophobicContact CB-CZ3 4.44Å; V297-W340 HydrophobicContact CG2-CE3 4.38Å; V297-W340 HydrophobicContact CG2-CH2 3.73Å; V297-W340 HydrophobicContact CG2-CZ2 4.35Å; V297-W340 HydrophobicContact CG2-CZ3 3.71Å
298M94.4Very high94Very high4 Ų428 Ų282%0.0213%0.131CC..EExtended strand (participates in β ladder)trans-104.4138.4179.8-57.8-61.9-66.800109.9F200 F285 L286 I288 Y300 E304 L305F200-M298 HydrophobicContact CD1-CE 3.83Å; F200-M298 HydrophobicContact CD1-SD 4.38Å; F200-M298 HydrophobicContact CD2-CE 3.82Å; F200-M298 HydrophobicContact CE1-CE 3.71Å; F200-M298 HydrophobicContact CE2-CE 3.69Å; F200-M298 HydrophobicContact CG-CE 3.91Å; F200-M298 HydrophobicContact CZ-CE 3.64Å; F285-M298 CarbonylContact C-O 3.52Å; F285-M298 VanDerWaalsContact CA-O 3.29Å; F285-M298 WeakPolarHBondContact CA-O 3.32Å; L286-M298 HydrophobicContact CB-CB 4.39Å; L286-M298 PolarHBondContact N-O 2.94Å; L286-M298 PolarHBondContact O-N 3.17Å; I288-M298 HydrophobicContact CD1-CG 3.82Å; M298-Y300 PolarHBondContact O-N 2.95Å; M298-E304 CarbonylContact C-O 3.56Å; M298-E304 VanDerWaalsContact CA-O 3.27Å; M298-E304 WeakPolarHBondContact CA-O 3.5Å; M298-E304 VanDerWaalsContact CE-C 3.49Å; M298-L305 HydrophobicContact SD-CB 4.14Å; M298-L305 HydrophobicContact SD-CD1 3.84Å
299E94.9Very high93.8Very high10 Ų1028 Ų285%0.04713%0.131CC..EExtended strand (participates in β ladder)trans-77.2107.7161.5-174.3162-140.700107.7R284 F285 H301 E302 M303 E304 R604R284-E299 HydrophobicContact CG-CG 4.43Å; R284-E299 IonicContact CZ-OE1 2.71Å; R284-E299 IonicContact NE-OE1 3.16Å; R284-E299 PolarHBondContact NE-OE1 3.31Å; R284-E299 IonicContact NH2-OE1 3.61Å; R284-E299 PolarHBondContact NH2-OE1 2.96Å; F285-E299 HydrophobicContact CD1-CB 4.3Å; F285-E299 HydrophobicContact CE1-CB 4.26Å; F285-E299 HydrophobicContact CE1-CG 4.36Å; E299-H301 PolarHBondContact O-N 3.23Å; E299-E302 HydrophobicContact CB-CB 4.35Å; E299-E302 HydrophobicContact CG-CB 4.02Å; E299-E302 HydrophobicContact CG-CG 3.86Å; E299-E302 PolarHBondContact O-N 3.34Å; E299-M303 WeakPolarHBondContact O-CA 3.48Å; E299-M303 PolarHBondContact O-N 3.17Å; E299-E304 PolarHBondContact N-O 3.13Å; E299-E304 PolarHBondContact O-N 2.79Å; E299-R604 IonicContact OE1-NH2 2.72Å; E299-R604 PolarHBondContact OE1-NH2 3.38Å; E299-R604 IonicContact OE2-CZ 3.95Å; E299-R604 IonicContact OE2-NH1 3.48Å; E299-R604 PolarHBondContact OE2-NH1 3.34Å; E299-R604 IonicContact OE2-NH2 3.81Å; E299-R604 PolarHBondContact OE2-NH2 3.13Å
300Y95.6Very high93.6Very high17 Ų1731.8 Ų31.87%0.06715%0.145CC..THydrogen-bonded Turntrans-64.5-44.1-162.5173.8-111.6000112.9V160 L178 W217 F279 R284 L286 M298 M303V160-Y300 HydrophobicContact CG1-CE1 3.63Å; V160-Y300 WeakPolarHBondContact CG2-OH 3.21Å; L178-Y300 WeakPolarHBondContact CD1-OH 3.31Å; W217-Y300 HydrophobicContact CH2-CE2 4.41Å; W217-Y300 HydrophobicContact CZ2-CE2 4.46Å; F279-Y300 HydrophobicContact CE1-CD1 4.07Å; F279-Y300 AromaticContact CE1-CD2 3.72Å; F279-Y300 HydrophobicContact CE1-CD2 3.72Å; F279-Y300 HydrophobicContact CE1-CE1 4.22Å; F279-Y300 AromaticContact CE1-CE2 3.89Å; F279-Y300 HydrophobicContact CE1-CE2 3.89Å; F279-Y300 AromaticContact CE1-CG 3.82Å; F279-Y300 HydrophobicContact CE1-CG 3.82Å; F279-Y300 HydrophobicContact CZ-CD2 4.32Å; F279-Y300 HydrophobicContact CZ-CE2 4.06Å; R284-Y300 PolarHBondContact O-N 3.13Å; L286-Y300 HydrophobicContact CD2-CD2 4.33Å; M298-Y300 PolarHBondContact O-N 2.95Å; Y300-M303 WeakPolarHBondContact O-CG 3.3Å
301H93.5Very high93.6Very high134 Ų13432.1 Ų32.162%0.6215%0.147SC*.THydrogen-bonded Turntrans-72.7-37.6-179.2-66-64.7000113.4E299 M303E299-H301 PolarHBondContact O-N 3.23Å; H301-M303 VanDerWaalsContact C-N 3.32Å
302E93.6Very high93.7Very high102 Ų10231 Ų3148%0.47714%0.139SC..THydrogen-bonded Turntrans-79.4-18.4177.5-59.5-57.5148.400112.3K195 E299 E304K195-E302 PolarHBondContact NZ-O 2.97Å; E299-E302 HydrophobicContact CB-CB 4.35Å; E299-E302 HydrophobicContact CG-CB 4.02Å; E299-E302 HydrophobicContact CG-CG 3.86Å; E299-E302 PolarHBondContact O-N 3.34Å; E302-E304 HydrophobicContact CB-CG 4.26Å
303M93.8Very high93.8Very high20 Ų2036.2 Ų36.210%0.09916%0.16CC..THydrogen-bonded Turntrans55.847.5-173.7-55-177.8-175.900112.3F194 K195 F200 V202 Y215 W217 E299 Y300 H301F194-M303 HydrophobicContact CD1-SD 3.85Å; F194-M303 HydrophobicContact CE1-CE 4.34Å; F194-M303 HydrophobicContact CE1-SD 3.59Å; F194-M303 VanDerWaalsContact CE1-SD 3.59Å; K195-M303 HydrophobicContact CD-CB 4.2Å; F200-M303 WeakPolarHBondContact CE2-O 3.44Å; F200-M303 WeakPolarHBondContact CZ-O 3.45Å; V202-M303 HydrophobicContact CG1-SD 3.82Å; V202-M303 HydrophobicContact CG2-CB 4.38Å; Y215-M303 HydrophobicContact CD1-CE 4.22Å; Y215-M303 HydrophobicContact CD2-CE 3.9Å; Y215-M303 HydrophobicContact CE1-CE 4.09Å; Y215-M303 HydrophobicContact CE2-CE 3.76Å; Y215-M303 HydrophobicContact CG-CE 4.13Å; W217-M303 HydrophobicContact CH2-CE 4.35Å; W217-M303 HydrophobicContact CZ2-CE 3.91Å; W217-M303 HydrophobicContact CZ2-CG 4.23Å; W217-M303 HydrophobicContact CZ2-SD 4.04Å; E299-M303 WeakPolarHBondContact O-CA 3.48Å; E299-M303 PolarHBondContact O-N 3.17Å; Y300-M303 WeakPolarHBondContact O-CG 3.3Å; H301-M303 VanDerWaalsContact C-N 3.32Å
304E90.8Very high93.8Very high73 Ų7337.2 Ų37.234%0.34117%0.171SC..EExtended strand (participates in β ladder)trans-123.7149.9-179.7-66.1-170.6169.500112K195 M298 E299 E302 Y306K195-E304 WeakPolarHBondContact CE-OE1 3.01Å; K195-E304 IonicContact NZ-OE1 2.71Å; K195-E304 PolarHBondContact NZ-OE1 3.14Å; M298-E304 CarbonylContact C-O 3.56Å; M298-E304 VanDerWaalsContact CA-O 3.27Å; M298-E304 WeakPolarHBondContact CA-O 3.5Å; M298-E304 VanDerWaalsContact CE-C 3.49Å; E299-E304 PolarHBondContact N-O 3.13Å; E299-E304 PolarHBondContact O-N 2.79Å; E302-E304 HydrophobicContact CB-CG 4.26Å; E304-Y306 PolarHBondContact O-N 2.94Å
305L90.3Very high93.8Very high33 Ų3337 Ų3717%0.17317%0.17CC..EExtended strand (participates in β ladder)trans-71114.1170.9-177.367.9000108.8F200 F267 R296 M298 G307 F308F200-L305 HydrophobicContact CD1-CB 4.42Å; F200-L305 HydrophobicContact CE1-CB 3.92Å; F267-L305 HydrophobicContact CE2-CD2 4.39Å; R296-L305 HydrophobicContact CB-CD1 3.98Å; R296-L305 HydrophobicContact CG-CD1 4.35Å; M298-L305 HydrophobicContact SD-CB 4.14Å; M298-L305 HydrophobicContact SD-CD1 3.84Å; L305-G307 WeakPolarHBondContact CD1-O 3.45Å; L305-F308 HydrophobicContact CD2-CD1 4.17Å
306Y92Very high93.9Very high35 Ų3537.1 Ų37.114%0.13717%0.17CC..EExtended strand (participates in β ladder)trans-82.7-39.8176.9177.1-100.9000111.8F285 V297 E304 W340 V342 R345F285-Y306 HydrophobicContact CD1-CD1 4.45Å; F285-Y306 HydrophobicContact CD1-CG 4.21Å; F285-Y306 HydrophobicContact CE1-CD1 4.13Å; F285-Y306 AromaticContact CE1-CD2 3.67Å; F285-Y306 HydrophobicContact CE1-CD2 3.67Å; F285-Y306 HydrophobicContact CE1-CE1 4.42Å; F285-Y306 AromaticContact CE1-CE2 3.99Å; F285-Y306 HydrophobicContact CE1-CE2 3.99Å; F285-Y306 AromaticContact CE1-CG 3.75Å; F285-Y306 HydrophobicContact CE1-CG 3.75Å; F285-Y306 HydrophobicContact CZ-CD2 4.28Å; F285-Y306 HydrophobicContact CZ-CE2 4.13Å; V297-Y306 HydrophobicContact CB-CD1 4.45Å; V297-Y306 HydrophobicContact CG1-CD1 4.04Å; V297-Y306 WeakPolarHBondContact O-CA 3.49Å; V297-Y306 WeakPolarHBondContact O-CB 3.47Å; V297-Y306 PolarHBondContact O-N 3.39Å; E304-Y306 PolarHBondContact O-N 2.94Å; Y306-W340 HydrophobicContact CD1-CH2 4.22Å; Y306-W340 HydrophobicContact CE1-CH2 4.25Å; Y306-V342 HydrophobicContact CE1-CG1 3.91Å; Y306-V342 VanDerWaalsContact CE1-O 3.32Å; Y306-V342 WeakPolarHBondContact CE1-O 3.49Å; Y306-V342 PolarHBondContact OH-O 3.06Å; Y306-R345 HydrophobicContact CE1-CG 3.94Å; Y306-R345 VanDerWaalsContact CE2-CZ 3.43Å; Y306-R345 WeakPolarHBondContact O-CD 3.3Å; Y306-R345 PolarHBondContact O-NH1 2.87Å
307G91.5Very high94Very high0 Ų038.4 Ų38.40%018%0.177CC..EExtended strand (participates in β ladder)trans-174.7170178.600000112V297 L305V297-G307 PolarHBondContact N-O 2.93Å; V297-G307 PolarHBondContact O-N 2.92Å; L305-G307 WeakPolarHBondContact CD1-O 3.45Å
308F93Very high94Very high1 Ų138.4 Ų38.40%0.00418%0.177CC..EExtended strand (participates in β ladder)trans-146.916517567.2-84.7000112I263 L266 F267 Y294 M295 R296 L305 M611 L624I263-F308 HydrophobicContact CG2-CE1 4.19Å; I263-F308 HydrophobicContact CG2-CZ 4.24Å; L266-F308 HydrophobicContact CD1-CE2 3.94Å; L266-F308 HydrophobicContact CD1-CZ 3.64Å; F267-F308 HydrophobicContact CZ-CD1 4.28Å; F267-F308 HydrophobicContact CZ-CD2 4.22Å; F267-F308 HydrophobicContact CZ-CE1 4.48Å; F267-F308 HydrophobicContact CZ-CE2 4.41Å; F267-F308 HydrophobicContact CZ-CG 4.14Å; Y294-F308 AromaticContact CD1-CD2 3.93Å; Y294-F308 HydrophobicContact CD1-CD2 3.93Å; Y294-F308 HydrophobicContact CD1-CE2 4.45Å; Y294-F308 HydrophobicContact CE1-CD2 4.02Å; Y294-F308 HydrophobicContact CE1-CE2 4.07Å; M295-F308 CarbonylContact O-C 3.59Å; M295-F308 WeakPolarHBondContact O-CA 3.43Å; M295-F308 WeakPolarHBondContact O-CB 3.31Å; R296-F308 HydrophobicContact CG-CB 4.44Å; L305-F308 HydrophobicContact CD2-CD1 4.17Å; F308-M611 HydrophobicContact CD1-CG 4.26Å; F308-M611 HydrophobicContact CD1-SD 3.83Å; F308-M611 HydrophobicContact CE1-CG 3.74Å; F308-M611 HydrophobicContact CE1-SD 3.95Å; F308-M611 HydrophobicContact CZ-CG 4.37Å; F308-L624 HydrophobicContact CE1-CD1 4.36Å; F308-L624 HydrophobicContact CE2-CD1 3.8Å; F308-L624 HydrophobicContact CZ-CD1 3.67Å; F308-L624 WeakPolarHBondContact O-CD2 3.23Å
309M94.3Very high94.2Very high1 Ų138.2 Ų38.21%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-138.4164.9162.466.5156.2140.600110.2Y294 M295 T330 T338 W340 V347 L624Y294-M309 WeakPolarHBondContact CA-O 3.17Å; Y294-M309 WeakPolarHBondContact CD1-O 3.22Å; M295-M309 HydrophobicContact CB-CE 4.29Å; M295-M309 HydrophobicContact CB-CG 3.76Å; M295-M309 HydrophobicContact CE-CE 3.55Å; M295-M309 HydrophobicContact CE-CG 4.04Å; M295-M309 PolarHBondContact N-O 2.99Å; M295-M309 PolarHBondContact O-N 3.48Å; M295-M309 HydrophobicContact SD-CE 3.57Å; M295-M309 VanDerWaalsContact SD-CE 3.57Å; M309-T330 HydrophobicContact CE-CG2 3.84Å; M309-T330 WeakPolarHBondContact CE-OG1 3.35Å; M309-T338 HydrophobicContact CE-CG2 4.04Å; M309-T338 HydrophobicContact SD-CG2 3.67Å; M309-W340 HydrophobicContact CE-CB 3.69Å; M309-W340 HydrophobicContact CE-CG 4.14Å; M309-V347 HydrophobicContact CB-CG2 4.02Å; M309-V347 HydrophobicContact CG-CG2 4.4Å; M309-V347 HydrophobicContact SD-CG2 3.49Å; M309-V347 WeakPolarHBondContact SD-CG2 3.45Å; M309-L624 WeakPolarHBondContact CA-O 3.47Å; M309-L624 WeakPolarHBondContact CB-O 3Å
310R93.4Very high94.4Very high79 Ų7938.9 Ų38.930%0.29818%0.18SC..EExtended strand (participates in β ladder)trans-115.5137.2170-167.9177.4-178.1151.4-2.7109.3Y294 E616 I619 L624 C625Y294-R310 HydrophobicContact CD1-CB 4.07Å; Y294-R310 HydrophobicContact CD1-CG 4.35Å; Y294-R310 HydrophobicContact CD2-CG 4.48Å; Y294-R310 HydrophobicContact CE1-CB 3.88Å; Y294-R310 HydrophobicContact CE1-CG 4.07Å; Y294-R310 HydrophobicContact CE2-CG 4.24Å; Y294-R310 PolarHBondContact OH-NH1 3.13Å; R310-E616 IonicContact NH1-OE1 3.65Å; R310-I619 HydrophobicContact CB-CG2 4.06Å; R310-L624 PolarHBondContact N-O 3Å; R310-C625 HydrophobicContact CB-CB 4.13Å; R310-C625 PolarHBondContact O-SG 3.36Å; R310-C625 VanDerWaalsContact O-SG 3.33Å
311S94.9Very high94.5Very high6 Ų638.7 Ų38.74%0.04218%0.179CC..  trans-52.1163.1169.261.40000111.5G293 F313 G314 C625G293-S311 WeakPolarHBondContact CA-OG 3.4Å; G293-S311 WeakPolarHBondContact O-CB 3.17Å; G293-S311 PolarHBondContact O-N 3.09Å; G293-S311 PolarHBondContact O-OG 3.16Å; S311-F313 VanDerWaalsContact C-N 3.33Å; S311-G314 WeakPolarHBondContact CB-O 3.42Å; S311-G314 PolarHBondContact OG-O 2.86Å; S311-C625 PolarHBondContact O-SG 2.85Å
312Y94.3Very high94.6Very high85 Ų8532.3 Ų32.333%0.33315%0.15SC..SBendtrans-71-37.5172.6-165.3-92.8000110.1D334 L336 F620 I628Y312-D334 WeakPolarHBondContact CA-OD2 3.48Å; Y312-D334 VanDerWaalsContact CB-OD2 3.31Å; Y312-D334 WeakPolarHBondContact CB-OD2 3.38Å; Y312-D334 PolarHBondContact N-OD2 2.81Å; Y312-L336 HydrophobicContact CG-CD1 4.32Å; Y312-F620 AromaticContact CD2-CE2 3.89Å; Y312-F620 HydrophobicContact CD2-CE2 3.89Å; Y312-F620 HydrophobicContact CE1-CE2 4.46Å; Y312-F620 AromaticContact CE2-CE2 3.46Å; Y312-F620 HydrophobicContact CE2-CE2 3.46Å; Y312-F620 VanDerWaalsContact CE2-CE2 3.46Å; Y312-F620 AromaticContact CE2-CZ 3.7Å; Y312-F620 HydrophobicContact CE2-CZ 3.7Å; Y312-F620 AromaticContact CZ-CE2 3.79Å; Y312-F620 AromaticContact CZ-CZ 3.78Å; Y312-I628 HydrophobicContact CE2-CB 4.4Å
313F93.4Very high94.5Very high153 Ų15329.6 Ų29.667%0.67114%0.141SC*.SBendtrans-157.9148.2171-179.7-99.9000112.1S311 D334S311-F313 VanDerWaalsContact C-N 3.33Å; F313-D334 HydrophobicContact CB-CB 4.13Å; F313-D334 PolarHBondContact N-OD2 2.83Å; F313-D334 VanDerWaalsContact O-CB 3.3Å; F313-D334 WeakPolarHBondContact O-CB 3.49Å
314G94Very high94.4Very high22 Ų2230.6 Ų30.623%0.22715%0.147CC..SBendtrans67.3-176.4173.700000115.3G293 S311G293-G314 WeakPolarHBondContact CA-O 3.49Å; S311-G314 WeakPolarHBondContact CB-O 3.42Å; S311-G314 PolarHBondContact OG-O 2.86Å
315G94.2Very high94.6Very high0 Ų027.7 Ų27.70%014%0.135CC..  trans-70.1149.4-176.700000114.1E291 G332 Q333E291-G315 WeakPolarHBondContact O-CA 3.43Å; G315-G332 WeakPolarHBondContact O-CA 3.2Å; G315-Q333 WeakPolarHBondContact O-CG 3.36Å; G315-Q333 PolarHBondContact O-N 3.12Å
316L97.5Very high94.8Very high1 Ų126.9 Ų26.91%0.00513%0.131CC..EExtended strand (participates in β ladder)trans-86.9133.4167.9-69179.2000109.4N275 I289 T290 M295 T330N275-L316 WeakPolarHBondContact CB-O 3.28Å; N275-L316 PolarHBondContact ND2-O 3.42Å; I289-L316 HydrophobicContact CB-CB 3.83Å; I289-L316 HydrophobicContact CB-CD1 4.49Å; I289-L316 HydrophobicContact CD1-CB 4.24Å; I289-L316 HydrophobicContact CG2-CB 4.01Å; I289-L316 HydrophobicContact CG2-CD1 3.9Å; T290-L316 PolarHBondContact O-N 2.95Å; M295-L316 HydrophobicContact CB-CD1 3.78Å; L316-T330 HydrophobicContact CD1-CG2 4.35Å
317L96.9Very high95Very high30 Ų3025.8 Ų25.816%0.15713%0.127CC..EExtended strand (participates in β ladder)trans-110.7-33.7-168.3-61.5178.8000113.9G331 Q333 W357L317-G331 PolarHBondContact N-O 3.44Å; L317-Q333 HydrophobicContact CD1-CG 3.98Å; L317-Q333 HydrophobicContact CD2-CG 4.11Å; L317-Q333 HydrophobicContact CG-CG 4.09Å; L317-W357 HydrophobicContact CD1-CB 3.73Å; L317-W357 HydrophobicContact CD1-CD2 4.24Å; L317-W357 HydrophobicContact CD1-CE3 3.97Å; L317-W357 HydrophobicContact CD1-CG 4.2Å
318C98Very high95.3Very high0 Ų025.8 Ų25.80%013%0.127CC..EExtended strand (participates in β ladder)trans-140.4149.8-179.952.20000112.5I289 T330 G331 V358 M360 V361I289-C318 VanDerWaalsContact CD1-CA 3.47Å; C318-T330 VanDerWaalsContact O-CA 3.28Å; C318-T330 WeakPolarHBondContact O-CA 3.49Å; C318-G331 PolarHBondContact N-O 2.68Å; C318-G331 PolarHBondContact O-N 3.09Å; C318-V358 PolarHBondContact SG-O 3.44Å; C318-V358 VanDerWaalsContact SG-O 3.41Å; C318-M360 HydrophobicContact CB-SD 4.34Å; C318-M360 VanDerWaalsContact SG-C 3.58Å; C318-M360 VanDerWaalsContact SG-CA 3.55Å; C318-V361 HydrophobicContact CB-CG2 4.17Å
319V98.7Very high95.6Very high0 Ų025.8 Ų25.80%013%0.126CC..EExtended strand (participates in β ladder)trans-144.9141.5-178.763.60000111.2Q276 A278 A287 I289 I328 V329 T330Q276-V319 HydrophobicContact CB-CG1 4.19Å; Q276-V319 HydrophobicContact CG-CG1 4.17Å; Q276-V319 PolarHBondContact NE2-O 2.91Å; A278-V319 HydrophobicContact CB-CG1 4.12Å; A287-V319 HydrophobicContact CB-CG2 3.99Å; I289-V319 HydrophobicContact CD1-CB 3.99Å; I289-V319 HydrophobicContact CD1-CG1 4.04Å; I289-V319 HydrophobicContact CG1-CB 4.14Å; I289-V319 HydrophobicContact CG1-CG1 3.86Å; I289-V319 HydrophobicContact CG2-CB 4.01Å; I289-V319 HydrophobicContact CG2-CG1 4.38Å; I289-V319 HydrophobicContact CG2-CG2 4.36Å; V319-I328 HydrophobicContact CG2-CG2 3.49Å; V319-I328 VanDerWaalsContact CG2-CG2 3.49Å; V319-V329 WeakPolarHBondContact CA-O 3.35Å; V319-T330 HydrophobicContact CB-CG2 4.19Å; V319-T330 HydrophobicContact CG2-CG2 3.91Å
320D98.4Very high95.8Very high25 Ų2525.8 Ų25.813%0.13413%0.126CC..EExtended strand (participates in β ladder)trans-148.1158.9174.1-156.352.8000110.9V329 V361 R362 F363D320-V329 HydrophobicContact CB-CG1 3.83Å; D320-V329 PolarHBondContact N-O 3.42Å; D320-V329 PolarHBondContact O-N 3.24Å; D320-V361 HydrophobicContact CB-CG2 4.34Å; D320-R362 IonicContact OD1-CZ 3.49Å; D320-R362 IonicContact OD1-NH1 2.75Å; D320-R362 PolarHBondContact OD1-NH1 3.16Å; D320-R362 VanDerWaalsContact OD2-CA 3.29Å; D320-R362 WeakPolarHBondContact OD2-CA 3.34Å; D320-F363 PolarHBondContact OD2-N 3Å
321W97.6Very high96.1Very high12 Ų1222 Ų225%0.04511%0.112CC..EExtended strand (participates in β ladder)trans-109.9145.5-178.5-74.484000111.3A278 P281 F285 A287 V297 I328 V342 F363A278-W321 PolarHBondContact O-NE1 3.26Å; P281-W321 HydrophobicContact CG-CB 4.37Å; F285-W321 HydrophobicContact CB-CH2 3.46Å; F285-W321 VanDerWaalsContact CB-CH2 3.46Å; F285-W321 HydrophobicContact CB-CZ2 3.82Å; F285-W321 HydrophobicContact CB-CZ3 4.38Å; F285-W321 HydrophobicContact CD2-CH2 4.38Å; F285-W321 HydrophobicContact CG-CH2 4.2Å; A287-W321 HydrophobicContact CB-CZ2 3.76Å; V297-W321 HydrophobicContact CG1-CH2 4.05Å; V297-W321 HydrophobicContact CG1-CZ2 4.34Å; W321-I328 HydrophobicContact CD2-CD1 4.39Å; W321-I328 HydrophobicContact CD2-CG1 3.87Å; W321-I328 HydrophobicContact CE3-CD1 4.28Å; W321-I328 HydrophobicContact CE3-CG1 3.68Å; W321-I328 HydrophobicContact CH2-CD1 3.53Å; W321-I328 HydrophobicContact CH2-CG1 3.89Å; W321-I328 HydrophobicContact CZ2-CD1 3.65Å; W321-I328 HydrophobicContact CZ2-CG1 4.07Å; W321-I328 HydrophobicContact CZ3-CD1 3.88Å; W321-I328 HydrophobicContact CZ3-CG1 3.71Å; W321-V342 HydrophobicContact CE3-CG2 4.32Å; W321-V342 HydrophobicContact CH2-CG2 4.3Å; W321-V342 HydrophobicContact CZ3-CG2 3.57Å; W321-F363 WeakPolarHBondContact O-CD2 3.22Å
322S95.9Very high96.2Very high0 Ų021.7 Ų21.70%011%0.11CC..  trans-63.1149.4168.267.50000110.3P281 D324 S325 L326 F327 F363P281-S322 WeakPolarHBondContact CG-O 3.32Å; S322-D324 VanDerWaalsContact CB-OD1 3.3Å; S322-D324 WeakPolarHBondContact CB-OD1 3.45Å; S322-D324 PolarHBondContact O-N 2.84Å; S322-D324 VanDerWaalsContact O-N 3.07Å; S322-D324 PolarHBondContact OG-OD1 3.22Å; S322-S325 PolarHBondContact O-N 3.32Å; S322-L326 PolarHBondContact OG-N 3.44Å; S322-L326 VanDerWaalsContact OG-N 3.12Å; S322-F327 PolarHBondContact N-O 3.1Å; S322-F327 PolarHBondContact OG-N 3.46Å; S322-F327 PolarHBondContact OG-O 3.1Å; S322-F363 VanDerWaalsContact N-CD2 3.27Å; S322-F363 VanDerWaalsContact N-CE2 3.35Å
323P92.4Very high96.3Very high45 Ų4519.8 Ų19.829%0.29210%0.104SC..THydrogen-bonded Turntrans-58-28.5-174.1-25.534.8000114.2P281 P365 C368P281-P323 WeakPolarHBondContact CB-O 3.36Å; P323-P365 HydrophobicContact CG-CB 3.98Å; P323-C368 HydrophobicContact CG-CB 4.09Å
324D90.8Very high96.5Very high42 Ų4213.7 Ų13.723%0.2258%0.079CC..THydrogen-bonded Turntrans-90.92.3178.860.5-0.1000114.3S322 L326 Y418S322-D324 VanDerWaalsContact CB-OD1 3.3Å; S322-D324 WeakPolarHBondContact CB-OD1 3.45Å; S322-D324 PolarHBondContact O-N 2.84Å; S322-D324 VanDerWaalsContact O-N 3.07Å; S322-D324 PolarHBondContact OG-OD1 3.22Å; D324-L326 VanDerWaalsContact C-N 3.26Å; D324-L326 HydrophobicContact CB-CG 4.22Å; D324-L326 VanDerWaalsContact CG-CG 3.45Å; D324-L326 PolarHBondContact O-N 2.79Å; D324-L326 PolarHBondContact OD1-N 3.01Å; D324-L326 VanDerWaalsContact OD2-CD1 3.22Å; D324-L326 WeakPolarHBondContact OD2-CD1 3.39Å; D324-L326 WeakPolarHBondContact OD2-CG 3.5Å; D324-Y418 VanDerWaalsContact OD2-CE1 3.28Å; D324-Y418 WeakPolarHBondContact OD2-CE1 3.23Å; D324-Y418 PolarHBondContact OD2-OH 3.47Å
325S94.8Very high96.7Very high11 Ų1115 Ų158%0.0778%0.08CC..SBendtrans62.320.5-177.2-44.90000115.6P281 C282 S322P281-S325 VanDerWaalsContact CD-OG 3.28Å; P281-S325 WeakPolarHBondContact CD-OG 3.27Å; C282-S325 PolarHBondContact N-OG 2.85Å; C282-S325 VanDerWaalsContact N-OG 3.13Å; S322-S325 PolarHBondContact O-N 3.32Å
326L94.2Very high96.9Very high17 Ų1715.5 Ų15.59%0.0898%0.083CC..SBendtrans-84.3-31.2178.2-62.3-168.5000114.2S322 D324 V342 V407S322-L326 PolarHBondContact OG-N 3.44Å; S322-L326 VanDerWaalsContact OG-N 3.12Å; D324-L326 VanDerWaalsContact C-N 3.26Å; D324-L326 HydrophobicContact CB-CG 4.22Å; D324-L326 VanDerWaalsContact CG-CG 3.45Å; D324-L326 PolarHBondContact O-N 2.79Å; D324-L326 PolarHBondContact OD1-N 3.01Å; D324-L326 VanDerWaalsContact OD2-CD1 3.22Å; D324-L326 WeakPolarHBondContact OD2-CD1 3.39Å; D324-L326 WeakPolarHBondContact OD2-CG 3.5Å; L326-V342 VanDerWaalsContact O-CB 3.31Å; L326-V342 WeakPolarHBondContact O-CB 3.17Å; L326-V342 WeakPolarHBondContact O-CG2 3.22Å; L326-V342 PolarHBondContact O-N 3.41Å; L326-V407 HydrophobicContact CD2-CG1 3.21Å
327F96.8Very high96.9Very high12 Ų1215.5 Ų15.55%0.0538%0.083CC..EExtended strand (participates in β ladder)trans-129.8148.6-173.6-55.3-69.6000111.3S322 I339 W340 I348 F363 Y418 L434 I439S322-F327 PolarHBondContact N-O 3.1Å; S322-F327 PolarHBondContact OG-N 3.46Å; S322-F327 PolarHBondContact OG-O 3.1Å; F327-I339 HydrophobicContact CB-CG2 4.4Å; F327-I339 HydrophobicContact CD1-CG2 4.47Å; F327-W340 WeakPolarHBondContact CA-O 3.47Å; F327-I348 HydrophobicContact CD1-CD1 3.74Å; F327-I348 HydrophobicContact CE1-CD1 3.52Å; F327-F363 HydrophobicContact CB-CZ 4.05Å; F327-Y418 HydrophobicContact CD2-CD2 4.44Å; F327-Y418 HydrophobicContact CD2-CE1 4.29Å; F327-Y418 HydrophobicContact CD2-CE2 4.09Å; F327-Y418 HydrophobicContact CE2-CD2 4.28Å; F327-Y418 HydrophobicContact CE2-CE1 4.43Å; F327-Y418 AromaticContact CE2-CE2 3.62Å; F327-Y418 HydrophobicContact CE2-CE2 3.62Å; F327-Y418 AromaticContact CE2-CZ 3.7Å; F327-L434 HydrophobicContact CD2-CD2 4.22Å; F327-L434 HydrophobicContact CE2-CD2 4.47Å; F327-L434 HydrophobicContact CG-CD2 4.28Å; F327-I439 HydrophobicContact CE1-CG2 4.19Å; F327-I439 HydrophobicContact CE2-CD1 3.93Å; F327-I439 HydrophobicContact CZ-CD1 3.76Å; F327-I439 HydrophobicContact CZ-CG1 4.15Å; F327-I439 HydrophobicContact CZ-CG2 3.88Å
328I98.6Very high97Very high0 Ų014.3 Ų14.30%08%0.077CC..EExtended strand (participates in β ladder)trans-116.4133.9168.8-52.1173.5000107.4A287 M295 V297 V319 W321 T330 I339 W340 V342A287-I328 HydrophobicContact CB-CD1 4.13Å; A287-I328 HydrophobicContact CB-CG2 4.42Å; M295-I328 HydrophobicContact CE-CB 4.27Å; M295-I328 HydrophobicContact CE-CD1 3.78Å; M295-I328 HydrophobicContact CE-CG2 4.28Å; M295-I328 HydrophobicContact SD-CB 4.19Å; M295-I328 HydrophobicContact SD-CD1 4.18Å; M295-I328 HydrophobicContact SD-CG2 3.57Å; M295-I328 VanDerWaalsContact SD-CG2 3.57Å; V297-I328 HydrophobicContact CG1-CD1 4.4Å; V297-I328 HydrophobicContact CG2-CD1 3.48Å; V297-I328 VanDerWaalsContact CG2-CD1 3.48Å; V319-I328 HydrophobicContact CG2-CG2 3.49Å; V319-I328 VanDerWaalsContact CG2-CG2 3.49Å; W321-I328 HydrophobicContact CD2-CD1 4.39Å; W321-I328 HydrophobicContact CD2-CG1 3.87Å; W321-I328 HydrophobicContact CE3-CD1 4.28Å; W321-I328 HydrophobicContact CE3-CG1 3.68Å; W321-I328 HydrophobicContact CH2-CD1 3.53Å; W321-I328 HydrophobicContact CH2-CG1 3.89Å; W321-I328 HydrophobicContact CZ2-CD1 3.65Å; W321-I328 HydrophobicContact CZ2-CG1 4.07Å; W321-I328 HydrophobicContact CZ3-CD1 3.88Å; W321-I328 HydrophobicContact CZ3-CG1 3.71Å; I328-T330 HydrophobicContact CG2-CG2 4.42Å; I328-I339 WeakPolarHBondContact O-CA 3.37Å; I328-W340 HydrophobicContact CB-CE3 4.4Å; I328-W340 HydrophobicContact CD1-CE3 3.58Å; I328-W340 HydrophobicContact CD1-CZ3 3.66Å; I328-W340 HydrophobicContact CG1-CE3 4.02Å; I328-W340 HydrophobicContact CG1-CZ3 4.44Å; I328-W340 PolarHBondContact N-O 3.5Å; I328-W340 PolarHBondContact O-N 2.8Å; I328-V342 HydrophobicContact CD1-CG2 4.28Å; I328-V342 HydrophobicContact CG1-CG2 3.98Å
329V98.7Very high97Very high0 Ų014.3 Ų14.30%08%0.077CC..EExtended strand (participates in β ladder)trans-106.8136170.364.30000109.3V319 D320 V337 T338 V361 F363 L420V319-V329 WeakPolarHBondContact CA-O 3.35Å; D320-V329 HydrophobicContact CB-CG1 3.83Å; D320-V329 PolarHBondContact N-O 3.42Å; D320-V329 PolarHBondContact O-N 3.24Å; V329-V337 HydrophobicContact CG2-CG1 3.35Å; V329-T338 WeakPolarHBondContact CA-O 3.46Å; V329-V361 HydrophobicContact CG1-CB 4.01Å; V329-V361 HydrophobicContact CG1-CG2 3.85Å; V329-V361 HydrophobicContact CG2-CB 4.1Å; V329-V361 HydrophobicContact CG2-CG1 4.22Å; V329-V361 HydrophobicContact CG2-CG2 4.33Å; V329-F363 HydrophobicContact CB-CD2 4.38Å; V329-F363 HydrophobicContact CB-CE2 3.68Å; V329-F363 HydrophobicContact CB-CZ 4.16Å; V329-F363 HydrophobicContact CG1-CD2 3.65Å; V329-F363 HydrophobicContact CG1-CE2 3.43Å; V329-F363 VanDerWaalsContact CG1-CE2 3.43Å; V329-F363 HydrophobicContact CG1-CZ 4.31Å; V329-L420 HydrophobicContact CG2-CD1 4.13Å
330T98.8Very high96.9Very high1 Ų114.3 Ų14.31%0.0068%0.077CC..EExtended strand (participates in β ladder)trans-127.3151.3173.1570000111.5I289 M295 M309 L316 C318 V319 I328 V337 T338I289-T330 HydrophobicContact CG2-CG2 4.01Å; M295-T330 HydrophobicContact CG-CG2 4.34Å; M295-T330 HydrophobicContact SD-CG2 3.5Å; M295-T330 VanDerWaalsContact SD-CG2 3.5Å; M309-T330 HydrophobicContact CE-CG2 3.84Å; M309-T330 WeakPolarHBondContact CE-OG1 3.35Å; L316-T330 HydrophobicContact CD1-CG2 4.35Å; C318-T330 VanDerWaalsContact O-CA 3.28Å; C318-T330 WeakPolarHBondContact O-CA 3.49Å; V319-T330 HydrophobicContact CB-CG2 4.19Å; V319-T330 HydrophobicContact CG2-CG2 3.91Å; I328-T330 HydrophobicContact CG2-CG2 4.42Å; T330-V337 CarbonylContact O-C 3.57Å; T330-V337 WeakPolarHBondContact O-CA 3.31Å; T330-T338 PolarHBondContact N-O 3.15Å; T330-T338 PolarHBondContact O-N 3.29Å
331G98.5Very high96.8Very high0 Ų013.2 Ų13.20%07%0.072CC..EExtended strand (participates in β ladder)trans-124.4139.4170.700000111.1L317 C318L317-G331 PolarHBondContact N-O 3.44Å; C318-G331 PolarHBondContact N-O 2.68Å; C318-G331 PolarHBondContact O-N 3.09Å
332G97.2Very high96.6Very high0 Ų012.9 Ų12.90%07%0.071CC..EExtended strand (participates in β ladder)trans-126.8-178.5-169.400000116.6G315 D334 L336 V358G315-G332 WeakPolarHBondContact O-CA 3.2Å; G332-D334 WeakPolarHBondContact CA-OD1 3.35Å; G332-L336 PolarHBondContact N-O 3.5Å; G332-V358 PolarHBondContact O-N 2.87Å; G332-V358 VanDerWaalsContact O-N 3.15Å
333Q97.8Very high96.3Very high45 Ų4516.3 Ų16.321%0.219%0.089CC..THydrogen-bonded Turntrans-77.4-5.8169.4-69.2179.5-14.100113.6G315 L317 D335 W357G315-Q333 WeakPolarHBondContact O-CG 3.36Å; G315-Q333 PolarHBondContact O-N 3.12Å; L317-Q333 HydrophobicContact CD1-CG 3.98Å; L317-Q333 HydrophobicContact CD2-CG 4.11Å; L317-Q333 HydrophobicContact CG-CG 4.09Å; Q333-D335 VanDerWaalsContact C-N 3.28Å; Q333-W357 VanDerWaalsContact CA-CD1 3.48Å; Q333-W357 HydrophobicContact CB-CD2 4.33Å; Q333-W357 HydrophobicContact CB-CG 4.37Å; Q333-W357 HydrophobicContact CB-CZ2 4.43Å; Q333-W357 HydrophobicContact CG-CD2 3.84Å; Q333-W357 HydrophobicContact CG-CE3 4.18Å; Q333-W357 HydrophobicContact CG-CG 4.25Å; Q333-W357 HydrophobicContact CG-CH2 4.32Å; Q333-W357 HydrophobicContact CG-CZ2 3.97Å; Q333-W357 HydrophobicContact CG-CZ3 4.42Å; Q333-W357 VanDerWaalsContact O-CD1 3.3Å; Q333-W357 PolarHBondContact O-NE1 2.82Å
334D96.9Very high96.2Very high25 Ų2515.4 Ų15.413%0.1348%0.081CC..THydrogen-bonded Turntrans-86.27.9173.248.28.5000113.5Y312 F313 G332 L336Y312-D334 WeakPolarHBondContact CA-OD2 3.48Å; Y312-D334 VanDerWaalsContact CB-OD2 3.31Å; Y312-D334 WeakPolarHBondContact CB-OD2 3.38Å; Y312-D334 PolarHBondContact N-OD2 2.81Å; F313-D334 HydrophobicContact CB-CB 4.13Å; F313-D334 PolarHBondContact N-OD2 2.83Å; F313-D334 VanDerWaalsContact O-CB 3.3Å; F313-D334 WeakPolarHBondContact O-CB 3.49Å; G332-D334 WeakPolarHBondContact CA-OD1 3.35Å; D334-L336 HydrophobicContact CB-CD1 4.37Å; D334-L336 HydrophobicContact CB-CG 4.48Å; D334-L336 PolarHBondContact O-N 3.22Å; D334-L336 VanDerWaalsContact O-N 3.17Å; D334-L336 PolarHBondContact OD1-N 3.2Å
335D97.6Very high96.3Very high48 Ų4814.4 Ų14.426%0.2577%0.074SC..SBendtrans62.111.1-175.7-53.7-10.5000113.9Q333 S356 W357Q333-D335 VanDerWaalsContact C-N 3.28Å; D335-S356 VanDerWaalsContact CG-C 3.42Å; D335-S356 WeakPolarHBondContact OD1-CA 3.42Å; D335-S356 WeakPolarHBondContact OD2-CA 3.43Å; D335-S356 PolarHBondContact OD2-N 2.88Å; D335-W357 PolarHBondContact OD1-N 2.75Å; D335-W357 VanDerWaalsContact OD1-N 3.1Å
336L97.9Very high96.2Very high12 Ų1213.9 Ų13.96%0.0637%0.071CC..EExtended strand (participates in β ladder)trans-99.4148-177.3-64.9171.8000111.9Y312 G332 D334 Q352Y312-L336 HydrophobicContact CG-CD1 4.32Å; G332-L336 PolarHBondContact N-O 3.5Å; D334-L336 HydrophobicContact CB-CD1 4.37Å; D334-L336 HydrophobicContact CB-CG 4.48Å; D334-L336 PolarHBondContact O-N 3.22Å; D334-L336 VanDerWaalsContact O-N 3.17Å; D334-L336 PolarHBondContact OD1-N 3.2Å; L336-Q352 HydrophobicContact CD2-CB 4.15Å; L336-Q352 HydrophobicContact CD2-CG 4.42Å
337V98.5Very high96.2Very high1 Ų113 Ų131%0.0067%0.066CC..EExtended strand (participates in β ladder)trans-97.7133.7158.4179.70000107.3V329 T330 R350 C351 V358 V361 L420 W432V329-V337 HydrophobicContact CG2-CG1 3.35Å; T330-V337 CarbonylContact O-C 3.57Å; T330-V337 WeakPolarHBondContact O-CA 3.31Å; V337-R350 CarbonylContact O-C 3.58Å; V337-R350 WeakPolarHBondContact O-CA 3.1Å; V337-C351 HydrophobicContact CB-CB 3.99Å; V337-C351 PolarHBondContact N-O 3.48Å; V337-C351 VanDerWaalsContact N-O 3.13Å; V337-C351 PolarHBondContact O-N 2.93Å; V337-V358 HydrophobicContact CG2-CG1 4.25Å; V337-V358 HydrophobicContact CG2-CG2 4.27Å; V337-V361 HydrophobicContact CG1-CG1 4.3Å; V337-V361 HydrophobicContact CG2-CG1 4.27Å; V337-L420 HydrophobicContact CG1-CD1 4.09Å; V337-W432 HydrophobicContact CG2-CZ2 3.99Å
338T98.4Very high96.2Very high4 Ų412.5 Ų12.53%0.0256%0.064CC..EExtended strand (participates in β ladder)trans-124.4132.9-178.8-61.60000110.4M309 V329 T330 V347 R350M309-T338 HydrophobicContact CE-CG2 4.04Å; M309-T338 HydrophobicContact SD-CG2 3.67Å; V329-T338 WeakPolarHBondContact CA-O 3.46Å; T330-T338 PolarHBondContact N-O 3.15Å; T330-T338 PolarHBondContact O-N 3.29Å; T338-V347 HydrophobicContact CG2-CB 4.32Å; T338-V347 HydrophobicContact CG2-CG1 3.59Å; T338-V347 HydrophobicContact CG2-CG2 3.79Å; T338-R350 HydrophobicContact CG2-CG 4.19Å
339I98.1Very high96Very high0 Ų012.5 Ų12.50%06%0.064CC..EExtended strand (participates in β ladder)trans-111.6128.2-178.5-57.3175.8000109F327 I328 I348 C349 L420 L434 L634F327-I339 HydrophobicContact CB-CG2 4.4Å; F327-I339 HydrophobicContact CD1-CG2 4.47Å; I328-I339 WeakPolarHBondContact O-CA 3.37Å; I339-I348 HydrophobicContact CB-CG1 4.44Å; I339-I348 HydrophobicContact CG2-CD1 4.04Å; I339-I348 HydrophobicContact CG2-CG1 3.95Å; I339-I348 PolarHBondContact O-N 2.91Å; I339-C349 HydrophobicContact CB-CB 4.23Å; I339-C349 HydrophobicContact CD1-CB 4.38Å; I339-C349 PolarHBondContact N-O 2.97Å; I339-C349 PolarHBondContact O-N 2.84Å; I339-L420 HydrophobicContact CD1-CD2 4.11Å; I339-L434 HydrophobicContact CD1-CB 4.28Å; I339-L434 HydrophobicContact CD1-CD1 3.93Å; I339-L434 HydrophobicContact CD1-CD2 4.24Å; I339-L434 HydrophobicContact CD1-CG 4.37Å; I339-L434 HydrophobicContact CG2-CD2 3.86Å; I339-L634 HydrophobicContact CD1-CD1 4.1Å
340W97.6Very high96Very high0 Ų012.6 Ų12.60%06%0.064CC..EExtended strand (participates in β ladder)trans-123127.1-173.8-173.992.3000110.9M295 V297 Y306 M309 F327 I328 V342 R345 A346M295-W340 HydrophobicContact CE-CB 4.06Å; M295-W340 HydrophobicContact CE-CD2 3.55Å; M295-W340 HydrophobicContact CE-CE3 3.79Å; M295-W340 HydrophobicContact CE-CG 3.69Å; M295-W340 HydrophobicContact CE-CZ3 4.37Å; V297-W340 HydrophobicContact CB-CH2 4.17Å; V297-W340 HydrophobicContact CB-CZ3 4.44Å; V297-W340 HydrophobicContact CG2-CE3 4.38Å; V297-W340 HydrophobicContact CG2-CH2 3.73Å; V297-W340 HydrophobicContact CG2-CZ2 4.35Å; V297-W340 HydrophobicContact CG2-CZ3 3.71Å; Y306-W340 HydrophobicContact CD1-CH2 4.22Å; Y306-W340 HydrophobicContact CE1-CH2 4.25Å; M309-W340 HydrophobicContact CE-CB 3.69Å; M309-W340 HydrophobicContact CE-CG 4.14Å; F327-W340 WeakPolarHBondContact CA-O 3.47Å; I328-W340 HydrophobicContact CB-CE3 4.4Å; I328-W340 HydrophobicContact CD1-CE3 3.58Å; I328-W340 HydrophobicContact CD1-CZ3 3.66Å; I328-W340 HydrophobicContact CG1-CE3 4.02Å; I328-W340 HydrophobicContact CG1-CZ3 4.44Å; I328-W340 PolarHBondContact N-O 3.5Å; I328-W340 PolarHBondContact O-N 2.8Å; W340-V342 HydrophobicContact CE3-CG2 4.08Å; W340-V342 VanDerWaalsContact CZ3-CA 3.48Å; W340-V342 HydrophobicContact CZ3-CB 4.1Å; W340-V342 HydrophobicContact CZ3-CG1 4.41Å; W340-V342 HydrophobicContact CZ3-CG2 3.85Å; W340-R345 VanDerWaalsContact CE2-C 3.42Å; W340-R345 HydrophobicContact CH2-CB 4.33Å; W340-R345 VanDerWaalsContact CZ2-C 3.43Å; W340-R345 VanDerWaalsContact CZ2-CA 3.41Å; W340-R345 HydrophobicContact CZ2-CB 3.92Å; W340-R345 PolarHBondContact NE1-O 3.07Å; W340-A346 CarbonylContact C-O 3.51Å; W340-A346 WeakPolarHBondContact CA-O 3.46Å
341S94.8Very high95.9Very high3 Ų312.5 Ų12.52%0.0216%0.064CC..EExtended strand (participates in β ladder)trans-77.1124.5174.3172.80000109.4L343 D344 R345 A346S341-L343 VanDerWaalsContact C-N 3.33Å; S341-L343 PolarHBondContact OG-N 2.96Å; S341-D344 PolarHBondContact OG-N 3.15Å; S341-D344 VanDerWaalsContact OG-N 3.13Å; S341-D344 PolarHBondContact OG-OD2 3.39Å; S341-R345 VanDerWaalsContact O-CA 3.28Å; S341-R345 WeakPolarHBondContact O-CA 3.36Å; S341-R345 PolarHBondContact O-N 2.97Å; S341-A346 PolarHBondContact N-O 2.91Å; S341-A346 PolarHBondContact O-N 3.4Å
342V93.7Very high95.8Very high4 Ų417.8 Ų17.82%0.0249%0.088CC..THydrogen-bonded Turntrans-67.8-37.7175.4179.90000110.3F285 Y306 W321 L326 I328 W340F285-V342 HydrophobicContact CE2-CG1 4.4Å; Y306-V342 HydrophobicContact CE1-CG1 3.91Å; Y306-V342 VanDerWaalsContact CE1-O 3.32Å; Y306-V342 WeakPolarHBondContact CE1-O 3.49Å; Y306-V342 PolarHBondContact OH-O 3.06Å; W321-V342 HydrophobicContact CE3-CG2 4.32Å; W321-V342 HydrophobicContact CH2-CG2 4.3Å; W321-V342 HydrophobicContact CZ3-CG2 3.57Å; L326-V342 VanDerWaalsContact O-CB 3.31Å; L326-V342 WeakPolarHBondContact O-CB 3.17Å; L326-V342 WeakPolarHBondContact O-CG2 3.22Å; L326-V342 PolarHBondContact O-N 3.41Å; I328-V342 HydrophobicContact CD1-CG2 4.28Å; I328-V342 HydrophobicContact CG1-CG2 3.98Å; W340-V342 HydrophobicContact CE3-CG2 4.08Å; W340-V342 VanDerWaalsContact CZ3-CA 3.48Å; W340-V342 HydrophobicContact CZ3-CB 4.1Å; W340-V342 HydrophobicContact CZ3-CG1 4.41Å; W340-V342 HydrophobicContact CZ3-CG2 3.85Å
343L90.8Very high95.7Very high73 Ų7318.5 Ų18.538%0.38210%0.096SC..THydrogen-bonded Turntrans-71.7-46.6-177.6-60.2179.9000112.6S341 R345 V407 V409S341-L343 VanDerWaalsContact C-N 3.33Å; S341-L343 PolarHBondContact OG-N 2.96Å; L343-R345 VanDerWaalsContact C-N 3.29Å; L343-V407 HydrophobicContact CD1-CG1 4.11Å; L343-V407 HydrophobicContact CD2-CB 3.78Å; L343-V407 HydrophobicContact CD2-CG1 4.02Å; L343-V407 HydrophobicContact CD2-CG2 3.99Å; L343-V409 HydrophobicContact CD1-CG2 4.33Å
344D89Confident95.7Very high25 Ų2517 Ų1713%0.1349%0.089CC..THydrogen-bonded Turntrans-86-4.4-179.5-48.9-89.2000112.3S341 A346 V443 R447S341-D344 PolarHBondContact OG-N 3.15Å; S341-D344 VanDerWaalsContact OG-N 3.13Å; S341-D344 PolarHBondContact OG-OD2 3.39Å; D344-A346 PolarHBondContact O-N 3.42Å; D344-V443 WeakPolarHBondContact OD2-CG2 3.49Å; D344-R447 IonicContact OD1-CZ 3.2Å; D344-R447 VanDerWaalsContact OD1-CZ 3.26Å; D344-R447 IonicContact OD1-NE 3.8Å; D344-R447 PolarHBondContact OD1-NE 2.63Å; D344-R447 IonicContact OD1-NH2 2.74Å; D344-R447 PolarHBondContact OD1-NH2 3.08Å; D344-R447 IonicContact OD2-NH2 3.59Å
345R92.8Very high95.7Very high21 Ų2123.7 Ų23.78%0.07912%0.117CC..THydrogen-bonded Turntrans53.434.1178.9-47.4-173.1-160.5-155.212.8114.1Y306 W340 S341 L343 E607 V608Y306-R345 HydrophobicContact CE1-CG 3.94Å; Y306-R345 VanDerWaalsContact CE2-CZ 3.43Å; Y306-R345 WeakPolarHBondContact O-CD 3.3Å; Y306-R345 PolarHBondContact O-NH1 2.87Å; W340-R345 VanDerWaalsContact CE2-C 3.42Å; W340-R345 HydrophobicContact CH2-CB 4.33Å; W340-R345 VanDerWaalsContact CZ2-C 3.43Å; W340-R345 VanDerWaalsContact CZ2-CA 3.41Å; W340-R345 HydrophobicContact CZ2-CB 3.92Å; W340-R345 PolarHBondContact NE1-O 3.07Å; S341-R345 VanDerWaalsContact O-CA 3.28Å; S341-R345 WeakPolarHBondContact O-CA 3.36Å; S341-R345 PolarHBondContact O-N 2.97Å; L343-R345 VanDerWaalsContact C-N 3.29Å; R345-E607 IonicContact CZ-OE2 3.7Å; R345-E607 IonicContact NH2-OE2 3.62Å; R345-E607 PolarHBondContact NH2-OE2 3.43Å; R345-V608 VanDerWaalsContact CZ-CG1 3.49Å
346A92.6Very high95.6Very high0 Ų023.2 Ų23.20%012%0.117CC..EExtended strand (participates in β ladder)trans-144.3158.6-168.100000112.8W340 S341 D344 I348 I446 P623W340-A346 CarbonylContact C-O 3.51Å; W340-A346 WeakPolarHBondContact CA-O 3.46Å; S341-A346 PolarHBondContact N-O 2.91Å; S341-A346 PolarHBondContact O-N 3.4Å; D344-A346 PolarHBondContact O-N 3.42Å; A346-I348 PolarHBondContact O-N 3.25Å; A346-I446 HydrophobicContact CB-CB 4.38Å; A346-I446 HydrophobicContact CB-CD1 4.07Å; A346-I446 HydrophobicContact CB-CG1 3.96Å; A346-I446 HydrophobicContact CB-CG2 3.55Å; A346-P623 HydrophobicContact CB-CB 3.88Å
347V95.7Very high95.6Very high0 Ų027.5 Ų27.50%013%0.133CC..EExtended strand (participates in β ladder)trans-69.6124.4171174.40000109.1M309 T338 R350 I446 P623 P626 V631M309-V347 HydrophobicContact CB-CG2 4.02Å; M309-V347 HydrophobicContact CG-CG2 4.4Å; M309-V347 HydrophobicContact SD-CG2 3.49Å; M309-V347 WeakPolarHBondContact SD-CG2 3.45Å; T338-V347 HydrophobicContact CG2-CB 4.32Å; T338-V347 HydrophobicContact CG2-CG1 3.59Å; T338-V347 HydrophobicContact CG2-CG2 3.79Å; V347-R350 HydrophobicContact CG1-CG 4.37Å; V347-I446 WeakPolarHBondContact O-CD1 3.48Å; V347-I446 WeakPolarHBondContact O-CG1 3.38Å; V347-P623 PolarHBondContact N-O 3.49Å; V347-P623 VanDerWaalsContact N-O 3.17Å; V347-P626 HydrophobicContact CB-CG 3.67Å; V347-P626 HydrophobicContact CG1-CG 3.71Å; V347-V631 HydrophobicContact CG1-CG1 4.5Å; V347-V631 HydrophobicContact CG1-CG2 4.42Å; V347-V631 WeakPolarHBondContact O-CG1 3.28Å
348I95.4Very high95.5Very high1 Ų127.4 Ų27.41%0.00513%0.132CC..EExtended strand (participates in β ladder)trans-106.9-24-179.657.2161.6000113.4F327 I339 A346 I439 G442 V443 P632F327-I348 HydrophobicContact CD1-CD1 3.74Å; F327-I348 HydrophobicContact CE1-CD1 3.52Å; I339-I348 HydrophobicContact CB-CG1 4.44Å; I339-I348 HydrophobicContact CG2-CD1 4.04Å; I339-I348 HydrophobicContact CG2-CG1 3.95Å; I339-I348 PolarHBondContact O-N 2.91Å; A346-I348 PolarHBondContact O-N 3.25Å; I348-I439 HydrophobicContact CD1-CG1 4.38Å; I348-I439 HydrophobicContact CD1-CG2 4.35Å; I348-G442 WeakPolarHBondContact O-CA 3.4Å; I348-V443 HydrophobicContact CG2-CG2 3.85Å; I348-P632 WeakPolarHBondContact O-CD 3.47Å
349C96.1Very high95.4Very high0 Ų027.8 Ų27.80%014%0.135CC..EExtended strand (participates in β ladder)trans-155.1152-179.3-169.10000109.4I339 I438 P632I339-C349 HydrophobicContact CB-CB 4.23Å; I339-C349 HydrophobicContact CD1-CB 4.38Å; I339-C349 PolarHBondContact N-O 2.97Å; I339-C349 PolarHBondContact O-N 2.84Å; C349-I438 HydrophobicContact CB-CG2 4.22Å; C349-P632 PolarHBondContact SG-O 2.71Å; C349-P632 VanDerWaalsContact SG-O 3.33Å
350R97.2Very high95.4Very high1 Ų128 Ų280%0.00414%0.136CC..EExtended strand (participates in β ladder)trans-119.8159.9160.9-66.1-159.1-176.589.8-10.7109.9V337 T338 V347 P626 R627 V631 P632 M633 L634V337-R350 CarbonylContact O-C 3.58Å; V337-R350 WeakPolarHBondContact O-CA 3.1Å; T338-R350 HydrophobicContact CG2-CG 4.19Å; V347-R350 HydrophobicContact CG1-CG 4.37Å; R350-P626 VanDerWaalsContact CZ-O 3.23Å; R350-P626 PolarHBondContact NH1-O 2.91Å; R350-P626 PolarHBondContact NH2-O 3.38Å; R350-R627 PolarHBondContact NH1-O 2.91Å; R350-V631 HydrophobicContact CG-CG2 4.23Å; R350-P632 PolarHBondContact N-O 3.41Å; R350-M633 HydrophobicContact CB-CE 3.79Å; R350-M633 HydrophobicContact CB-SD 4.17Å; R350-M633 CarbonylContact O-C 3.51Å; R350-M633 WeakPolarHBondContact O-CA 3.43Å; R350-M633 VanDerWaalsContact O-SD 3.37Å; R350-L634 PolarHBondContact O-N 2.73Å
351C97.9Very high95.5Very high0 Ų028 Ų280%014%0.136CC..EExtended strand (participates in β ladder)trans-127.8131.3177.4-22.50000109.3V337 W432 L634V337-C351 HydrophobicContact CB-CB 3.99Å; V337-C351 PolarHBondContact N-O 3.48Å; V337-C351 VanDerWaalsContact N-O 3.13Å; V337-C351 PolarHBondContact O-N 2.93Å; C351-W432 HydrophobicContact CB-CD2 3.8Å; C351-W432 HydrophobicContact CB-CE3 3.32Å; C351-W432 HydrophobicContact CB-CH2 3.72Å; C351-W432 HydrophobicContact CB-CZ2 4.17Å; C351-W432 HydrophobicContact CB-CZ3 3.27Å; C351-L634 VanDerWaalsContact CA-O 3.3Å; C351-L634 WeakPolarHBondContact CA-O 3.43Å; C351-L634 HydrophobicContact CB-CB 3.72Å
352Q96Very high95.6Very high110 Ų11030.8 Ų30.851%0.51415%0.146SC..EExtended strand (participates in β ladder)trans-121.5126.8-175.7-178.4175.913.600109.9L336 M633 L634 P636L336-Q352 HydrophobicContact CD2-CB 4.15Å; L336-Q352 HydrophobicContact CD2-CG 4.42Å; Q352-M633 HydrophobicContact CB-CE 4.35Å; Q352-M633 HydrophobicContact CB-CG 4.19Å; Q352-M633 HydrophobicContact CB-SD 3.44Å; Q352-M633 WeakPolarHBondContact CB-SD 3.14Å; Q352-M633 PolarHBondContact N-SD 3.43Å; Q352-M633 VanDerWaalsContact N-SD 3.43Å; Q352-L634 PolarHBondContact N-O 2.9Å; Q352-P636 WeakPolarHBondContact O-CD 3.24Å
353G95.2Very high95.8Very high16 Ų1630.9 Ų30.917%0.16515%0.146CC..  trans-180-32.8-176.300000113.8
354H97.3Very high95.9Very high12 Ų1227.4 Ų27.46%0.05613%0.128CC..  trans-67.8155.3168.5-75.9-67.7000112V358 S422 D426H354-V358 HydrophobicContact CB-CG2 4.29Å; H354-S422 PolarHBondContact CD2-OG 3.15Å; H354-S422 WeakPolarHBondContact NE2-CB 3.48Å; H354-S422 PolarHBondContact NE2-OG 3.47Å; H354-D426 WeakPolarHBondContact CA-OD2 3.01Å; H354-D426 WeakPolarHBondContact CB-OD2 3.1Å; H354-D426 IonicContact CE1-OD1 3Å; H354-D426 IonicContact CG-OD2 3.26Å; H354-D426 IonicContact ND1-OD1 2.71Å; H354-D426 PolarHBondContact ND1-OD1 3.4Å; H354-D426 VanDerWaalsContact ND1-OD1 3.16Å; H354-D426 IonicContact ND1-OD2 3.55Å; H354-D426 PolarHBondContact ND1-OD2 3.06Å
355K96.4Very high96Very high166 Ų16629 Ų2972%0.72214%0.14SC*.SBendtrans-123.112.3-178.7-57.4178.5-176.41760112.7D426K355-D426 HydrophobicContact CB-CB 4.2Å; K355-D426 PolarHBondContact N-OD2 2.75Å
356S96.6Very high95.7Very high38 Ų3831.8 Ų31.827%0.26615%0.151SC..SBendtrans-166.9176173.8-159.10000107.9D335D335-S356 VanDerWaalsContact CG-C 3.42Å; D335-S356 WeakPolarHBondContact OD1-CA 3.42Å; D335-S356 WeakPolarHBondContact OD2-CA 3.43Å; D335-S356 PolarHBondContact OD2-N 2.88Å
357W96.6Very high95.1Very high102 Ų10234.8 Ų34.839%0.38617%0.167SC..  trans-51.4136.9-171.2-60-6.9000113.7L317 Q333 D335 S359 G424 H425L317-W357 HydrophobicContact CD1-CB 3.73Å; L317-W357 HydrophobicContact CD1-CD2 4.24Å; L317-W357 HydrophobicContact CD1-CE3 3.97Å; L317-W357 HydrophobicContact CD1-CG 4.2Å; Q333-W357 VanDerWaalsContact CA-CD1 3.48Å; Q333-W357 HydrophobicContact CB-CD2 4.33Å; Q333-W357 HydrophobicContact CB-CG 4.37Å; Q333-W357 HydrophobicContact CB-CZ2 4.43Å; Q333-W357 HydrophobicContact CG-CD2 3.84Å; Q333-W357 HydrophobicContact CG-CE3 4.18Å; Q333-W357 HydrophobicContact CG-CG 4.25Å; Q333-W357 HydrophobicContact CG-CH2 4.32Å; Q333-W357 HydrophobicContact CG-CZ2 3.97Å; Q333-W357 HydrophobicContact CG-CZ3 4.42Å; Q333-W357 VanDerWaalsContact O-CD1 3.3Å; Q333-W357 PolarHBondContact O-NE1 2.82Å; D335-W357 PolarHBondContact OD1-N 2.75Å; D335-W357 VanDerWaalsContact OD1-N 3.1Å; W357-S359 PolarHBondContact O-N 2.87Å; W357-G424 CarbonylContact O-C 3.52Å; W357-G424 WeakPolarHBondContact O-CA 3.21Å; W357-H425 AromaticContact CE3-CE1 3.65Å; W357-H425 AromaticContact CE3-ND1 3.78Å; W357-H425 PolarHBondContact O-N 3Å
358V98.2Very high93.9Very high0 Ų035.5 Ų35.50%017%0.171CC..EExtended strand (participates in β ladder)trans-81.1116.1177.5-1710000109C318 G332 V337 H354 V361C318-V358 PolarHBondContact SG-O 3.44Å; C318-V358 VanDerWaalsContact SG-O 3.41Å; G332-V358 PolarHBondContact O-N 2.87Å; G332-V358 VanDerWaalsContact O-N 3.15Å; V337-V358 HydrophobicContact CG2-CG1 4.25Å; V337-V358 HydrophobicContact CG2-CG2 4.27Å; H354-V358 HydrophobicContact CB-CG2 4.29Å; V358-V361 HydrophobicContact CG1-CG1 3.76Å
359S96Very high92.1Very high12 Ų1238.4 Ų38.48%0.08419%0.191CC..EExtended strand (participates in β ladder)trans-95.5-25.3-170.956.90000114W357 V423 V647W357-S359 PolarHBondContact O-N 2.87Å; S359-V423 PolarHBondContact N-O 3.16Å; S359-V423 PolarHBondContact OG-O 2.94Å; S359-V423 VanDerWaalsContact OG-O 3.11Å; S359-V647 WeakPolarHBondContact CB-O 3.3Å; S359-V647 PolarHBondContact OG-O 2.7Å
360M97.9Very high90.1Very high3 Ų342.2 Ų42.22%0.01521%0.214CC..EExtended strand (participates in β ladder)trans-150.9143.1169.8-171.757.459.800110.6C318 R362 S422 V423 L650C318-M360 HydrophobicContact CB-SD 4.34Å; C318-M360 VanDerWaalsContact SG-C 3.58Å; C318-M360 VanDerWaalsContact SG-CA 3.55Å; M360-R362 HydrophobicContact CG-CG 4.37Å; M360-S422 VanDerWaalsContact O-CA 3.32Å; M360-S422 WeakPolarHBondContact O-CA 3.39Å; M360-V423 HydrophobicContact CB-CG2 3.67Å; M360-V423 PolarHBondContact N-O 2.98Å; M360-V423 PolarHBondContact O-N 2.9Å; M360-L650 HydrophobicContact CB-CB 4.44Å; M360-L650 HydrophobicContact CG-CB 4.16Å
361V98.5Very high87.5Confident0 Ų046.6 Ų46.60%024%0.237CC..EExtended strand (participates in β ladder)trans-123.9144.8168.3-69.10000108.3C318 D320 V329 V337 V358 G421C318-V361 HydrophobicContact CB-CG2 4.17Å; D320-V361 HydrophobicContact CB-CG2 4.34Å; V329-V361 HydrophobicContact CG1-CB 4.01Å; V329-V361 HydrophobicContact CG1-CG2 3.85Å; V329-V361 HydrophobicContact CG2-CB 4.1Å; V329-V361 HydrophobicContact CG2-CG1 4.22Å; V329-V361 HydrophobicContact CG2-CG2 4.33Å; V337-V361 HydrophobicContact CG1-CG1 4.3Å; V337-V361 HydrophobicContact CG2-CG1 4.27Å; V358-V361 HydrophobicContact CG1-CG1 3.76Å; V361-G421 CarbonylContact C-O 3.56Å; V361-G421 WeakPolarHBondContact CA-O 3.21Å
362R97.9Very high84.5Confident62 Ų6253 Ų5323%0.23427%0.272CS..EExtended strand (participates in β ladder)trans-144141.4172.4-70-60.8-179.6-164.3-6111.3D320 M360 L420 G421 L650 F652D320-R362 IonicContact OD1-CZ 3.49Å; D320-R362 IonicContact OD1-NH1 2.75Å; D320-R362 PolarHBondContact OD1-NH1 3.16Å; D320-R362 VanDerWaalsContact OD2-CA 3.29Å; D320-R362 WeakPolarHBondContact OD2-CA 3.34Å; M360-R362 HydrophobicContact CG-CG 4.37Å; R362-L420 CarbonylContact O-C 3.49Å; R362-L420 VanDerWaalsContact O-CA 3.28Å; R362-L420 WeakPolarHBondContact O-CA 3.33Å; R362-L420 WeakPolarHBondContact O-CB 3.32Å; R362-G421 PolarHBondContact N-O 3.18Å; R362-G421 PolarHBondContact O-N 2.93Å; R362-L650 HydrophobicContact CB-CD2 4.35Å; R362-L650 HydrophobicContact CG-CG 4.35Å; R362-L650 VanDerWaalsContact CG-O 3.26Å; R362-L650 WeakPolarHBondContact CG-O 3.15Å; R362-F652 HydrophobicContact CB-CD2 3.69Å; R362-F652 HydrophobicContact CB-CE2 3.75Å
363F96.7Very high81.6Confident7 Ų754.5 Ų54.53%0.03128%0.283CS..EExtended strand (participates in β ladder)trans-76.2149.9155.8-79.5-84.5000110.3D320 W321 S322 F327 V329 P365 Y418 L420 F652D320-F363 PolarHBondContact OD2-N 3Å; W321-F363 WeakPolarHBondContact O-CD2 3.22Å; S322-F363 VanDerWaalsContact N-CD2 3.27Å; S322-F363 VanDerWaalsContact N-CE2 3.35Å; F327-F363 HydrophobicContact CB-CZ 4.05Å; V329-F363 HydrophobicContact CB-CD2 4.38Å; V329-F363 HydrophobicContact CB-CE2 3.68Å; V329-F363 HydrophobicContact CB-CZ 4.16Å; V329-F363 HydrophobicContact CG1-CD2 3.65Å; V329-F363 HydrophobicContact CG1-CE2 3.43Å; V329-F363 VanDerWaalsContact CG1-CE2 3.43Å; V329-F363 HydrophobicContact CG1-CZ 4.31Å; F363-P365 WeakPolarHBondContact O-CD 3.16Å; F363-Y418 HydrophobicContact CE1-CD1 4.49Å; F363-Y418 HydrophobicContact CE1-CG 4.45Å; F363-L420 HydrophobicContact CD1-CB 4.18Å; F363-L420 HydrophobicContact CE1-CB 4.41Å; F363-L420 HydrophobicContact CE1-CD2 4.41Å; F363-F652 WeakPolarHBondContact O-CD2 3.45Å
364D94Very high78.7Confident0 Ų059.9 Ų59.90%031%0.307CS..  trans-95103.5172.2-176.5-1.9000109.9Y366 L367 C368 R419 F652 R671D364-Y366 PolarHBondContact O-N 3.17Å; D364-Y366 VanDerWaalsContact O-N 3.14Å; D364-Y366 WeakPolarHBondContact OD1-CD2 3.42Å; D364-Y366 PolarHBondContact OD1-N 2.76Å; D364-Y366 VanDerWaalsContact OD1-N 3.07Å; D364-L367 PolarHBondContact O-N 2.77Å; D364-L367 WeakPolarHBondContact OD2-CD1 3.31Å; D364-C368 PolarHBondContact O-SG 3.08Å; D364-R419 HydrophobicContact CB-CB 3.95Å; D364-R419 HydrophobicContact CB-CG 3.85Å; D364-R419 WeakPolarHBondContact CB-O 3.47Å; D364-R419 PolarHBondContact N-O 3.28Å; D364-F652 HydrophobicContact CB-CD1 4.03Å; D364-F652 HydrophobicContact CB-CD2 3.97Å; D364-F652 HydrophobicContact CB-CE1 4.15Å; D364-F652 HydrophobicContact CB-CE2 4.09Å; D364-F652 HydrophobicContact CB-CG 3.96Å; D364-F652 HydrophobicContact CB-CZ 4.17Å; D364-R671 IonicContact OD1-CZ 2.8Å; D364-R671 IonicContact OD1-NH1 2.73Å; D364-R671 IonicContact OD1-NH2 2.77Å; D364-R671 PolarHBondContact OD1-NH2 3.03Å; D364-R671 IonicContact OD2-CZ 3.99Å; D364-R671 VanDerWaalsContact OD2-CZ 3.25Å; D364-R671 IonicContact OD2-NH1 3.53Å; D364-R671 PolarHBondContact OD2-NH1 2.79Å; D364-R671 IonicContact OD2-NH2 3.43Å; D364-R671 PolarHBondContact OD2-NH2 3.27Å
365P90.4Very high75.6Confident58 Ų5864 Ų6438%0.37734%0.337SS..THydrogen-bonded Turntrans-71.5-7.2-176.431.8-36.1000113.5P323 F363P323-P365 HydrophobicContact CG-CB 3.98Å; F363-P365 WeakPolarHBondContact O-CD 3.16Å
366Y86.1Confident72.4Confident79 Ų7962.7 Ų62.731%0.3134%0.338SS..THydrogen-bonded Turntrans-98.3-10.2-177.1-52.8-81.1000113.4D364 R653 R654D364-Y366 PolarHBondContact O-N 3.17Å; D364-Y366 VanDerWaalsContact O-N 3.14Å; D364-Y366 WeakPolarHBondContact OD1-CD2 3.42Å; D364-Y366 PolarHBondContact OD1-N 2.76Å; D364-Y366 VanDerWaalsContact OD1-N 3.07Å; Y366-R653 VanDerWaalsContact CE2-CA 3.4Å; Y366-R654 HydrophobicContact CD1-CB 3.92Å; Y366-R654 HydrophobicContact CD1-CG 3.89Å; Y366-R654 VanDerWaalsContact CE1-CA 3.49Å; Y366-R654 HydrophobicContact CE1-CB 3.57Å; Y366-R654 HydrophobicContact CE1-CG 3.93Å; Y366-R654 VanDerWaalsContact CE2-N 3.32Å; Y366-R654 PolarHBondContact OH-N 3.31Å
367L81.1Confident69.1Low64 Ų6467.6 Ų67.634%0.33536%0.361SS..SBendtrans-122.719177.2-66.7179.5000112.5E9 D364 R419E9-L367 HydrophobicContact CG-CD1 4.35Å; E9-L367 WeakPolarHBondContact OE1-CD1 3.43Å; D364-L367 PolarHBondContact O-N 2.77Å; D364-L367 WeakPolarHBondContact OD2-CD1 3.31Å; L367-R419 HydrophobicContact CB-CB 3.9Å; L367-R419 HydrophobicContact CB-CG 4.49Å; L367-R419 HydrophobicContact CD1-CB 4.43Å; L367-R419 HydrophobicContact CD1-CG 4.18Å
368C70.2Confident66.2Low14 Ų1469 Ų6910%0.09538%0.376CS..SBendtrans-101.9142.6171.2-66.60000110P323 D364 T370 Y418P323-C368 HydrophobicContact CG-CB 4.09Å; D364-C368 PolarHBondContact O-SG 3.08Å; C368-T370 PolarHBondContact O-N 3.13Å; C368-Y418 HydrophobicContact CB-CD1 4.3Å
369P57.1Low62.8Low63 Ų6373.8 Ų73.841%0.40941%0.409SS..  trans-64.5110.1175.227-34.5000110.1R416 T417P369-R416 HydrophobicContact CG-CB 4.08Å; P369-R416 HydrophobicContact CG-CG 4.11Å; P369-T417 WeakPolarHBondContact CD-O 3.32Å
370T53.9Low59.8Low80 Ų8078.5 Ų78.549%0.49144%0.438SS..  trans-83.2137.5170.666.80000109.4C368 N372C368-T370 PolarHBondContact O-N 3.13Å; T370-N372 PolarHBondContact O-N 2.68Å
371N43.3Very low56.5Low92 Ų9283.5 Ų83.549%0.49247%0.473SS..THydrogen-bonded Turntrans-65.913.1-176.2-63.5-45.7000114.8
372N35.6Very low52.9Low135 Ų13588.8 Ų88.872%0.72252%0.517SS*.THydrogen-bonded Turntrans-104.6-2.6-168.6-77.17000114.9T370 I374T370-N372 PolarHBondContact O-N 2.68Å; N372-I374 PolarHBondContact O-N 2.67Å
373D33.7Very low49.6Very low141 Ų14190.7 Ų90.775%0.75454%0.54SS*.  trans-78.612.4175.5-69.2-37.6000113.7S375D373-S375 PolarHBondContact O-N 2.94Å
374I35.8Very low46.4Very low129 Ų12994.7 Ų94.766%0.66257%0.568SS**  trans-80.363.8158.9-47.8178.9000108.5N372N372-I374 PolarHBondContact O-N 2.67Å
375S31Very low43.2Very low99 Ų99105.4 Ų105.469%0.69261%0.608SS**  trans-75119.4159.159.30000107.9D373 D377D373-S375 PolarHBondContact O-N 2.94Å; S375-D377 PolarHBondContact O-N 2.89Å
376N29.8Very low40Very low138 Ų138107.4 Ų107.474%0.73862%0.624SS**  trans-46105.6-177.5-58.4-32.5000112.6D378N376-D378 PolarHBondContact O-N 3.34Å
377D27.4Very low37.3Very low141 Ų141113 Ų11375%0.75465%0.653SS**  trans-81.960.3163.3-164.710.8000109.3S375 S379S375-D377 PolarHBondContact O-N 2.89Å; D377-S379 PolarHBondContact O-N 3.38Å; D377-S379 PolarHBondContact O-OG 2.77Å
378D35.2Very low34.5Very low133 Ų133114.8 Ų114.871%0.71167%0.67SS**  trans-72.269.6169.1-97.2-29.8000108.9N376 V380N376-D378 PolarHBondContact O-N 3.34Å; D378-V380 PolarHBondContact O-N 3.13Å
379S27.7Very low32.5Very low99 Ų99122.5 Ų122.569%0.69271%0.71SS**  trans-73.447.3170.4490000111.6D377D377-S379 PolarHBondContact O-N 3.38Å; D377-S379 PolarHBondContact O-OG 2.77Å
380V31.9Very low31Very low112 Ų112128.9 Ų128.968%0.67973%0.731SS**SBendtrans-120.785.8176.2-170.60000111D378D378-V380 PolarHBondContact O-N 3.13Å
381S29.1Very low29.6Very low107 Ų107129.9 Ų129.975%0.74875%0.747SS**  trans53.8109.3157.961.80000118.7S383S381-S383 PolarHBondContact O-N 2.86Å
382A23.4Very low28.7Very low112 Ų112132.8 Ų132.893%0.92676%0.763SS**  trans-61.8119.616300000112
383S28Very low28.1Very low102 Ų102134 Ų13471%0.71376%0.763SS**  trans-156.5116.6155.3-170.30000113.6S381S381-S383 PolarHBondContact O-N 2.86Å
384S28.6Very low27.6Very low90 Ų90135 Ų13563%0.62976%0.764SS**  trans74.6106.1143.7-56.40000121.4
385R28.1Very low27.1Very low225 Ų225138.3 Ų138.385%0.84978%0.776SS**  78.291.7128.7-65.1174.4178156.40.1119.5
386S23.5Very low26.9Very low100 Ų100141.9 Ų141.970%0.69979%0.787SS**  30.7114.7114.962.80000118.9
387H28.1Very low26.7Very low198 Ų198142.6 Ų142.692%0.91779%0.791SS**  trans-147136133.9-104.9-75.7000111.2
388S22.7Very low26.6Very low101 Ų101144.5 Ų144.571%0.70680%0.795SS**  trans-96.5136.5179.3172.10000110.3
389L28.8Very low26.3Very low175 Ų175142.9 Ų142.992%0.91679%0.794SS**  trans-141.7131.1159.8-78.8-179.8000111.2
390K24.6Very low26.3Very low198 Ų198142.6 Ų142.686%0.86179%0.792SS**  trans-89.9150.9163.1-63.5173.5174179.80108.9
391A26.3Very low26.2Very low100 Ų100143.7 Ų143.783%0.82680%0.799SS**  trans-153.2153.7154.300000111.2
392N22.7Very low26.1Very low154 Ų154146.7 Ų146.782%0.82481%0.805SS**  trans-109.5161.9179.9-68.2-34.5000111
393H23.5Very low26.3Very low159 Ų159151.5 Ų151.574%0.73680%0.799SS**  trans66127.4153.8-94.6-92.5000121
394E23.2Very low26.3Very low163 Ų163152.9 Ų152.976%0.76280%0.798SS**  trans47.4101.9142.5-72.9170.4-141.400120.2
395E26.1Very low26.3Very low198 Ų198152.1 Ų152.193%0.92579%0.793SS**  -147.8156.2122.9-136.8168.4-174.300111.1
396L25.7Very low26.3Very low174 Ų174146.6 Ų146.691%0.91179%0.786SS**  trans-82.7135.9175.3-73.4149.4000109.1
397D26.3Very low26.8Very low153 Ų153145.4 Ų145.482%0.81878%0.775SS**  trans-142.3147.8159.3-157.210.4000113.9
398E24.1Very low26.8Very low181 Ų181140.8 Ų140.885%0.84676%0.76SS**  trans-104.868.3-163.1-168.6175.3-168.600110.3
399S29.5Very low27.3Very low100 Ų100140 Ų14070%0.69975%0.751SS**  trans-114.978.4175.347.60000111.6
400S28.9Very low27.3Very low93 Ų93134.2 Ų134.265%0.6573%0.725SS**  69.987.277.883.50000114.2I402S400-I402 PolarHBondContact O-N 2.96Å; S400-I402 VanDerWaalsContact O-N 3.12Å
401V28.6Very low27.6Very low134 Ų134134.2 Ų134.281%0.81273%0.728SS**  trans33.373.6138.2-166.40000115R403V401-R403 PolarHBondContact O-N 3.24Å
402I28.2Very low28.1Very low170 Ų170133 Ų13387%0.87271%0.71SS**  trans-63.7107.3156.8-62.5-178.2000106S400 N404S400-I402 PolarHBondContact O-N 2.96Å; S400-I402 VanDerWaalsContact O-N 3.12Å; I402-N404 PolarHBondContact O-N 3.34Å
403R26Very low28.8Very low214 Ų214133.5 Ų133.581%0.80871%0.713SS**  trans-56.7138.8-176.5-65.2176.2179.4-177.10.2109.4V401 S405V401-R403 PolarHBondContact O-N 3.24Å; R403-S405 PolarHBondContact O-N 3.12Å
404N28.4Very low30.2Very low130 Ų130131.7 Ų131.770%0.69571%0.709SS**  trans-49.4100.3164.1-66.9-33.1000109.5I402I402-N404 PolarHBondContact O-N 3.34Å
405S28.7Very low32.1Very low75 Ų75130.2 Ų130.252%0.52471%0.705SS.*  trans-56.1144.4162.9-175.70000107.7R403 T408R403-S405 PolarHBondContact O-N 3.12Å; S405-T408 PolarHBondContact OG-OG1 3.07Å
406P28.8Very low34.5Very low108 Ų108122.5 Ų122.570%0.70167%0.668SS**  trans-53.1148.5159.228.2-35.2000108.1T408P406-T408 PolarHBondContact O-N 2.91Å; P406-T408 PolarHBondContact O-OG1 3.04Å
407V34.2Very low37.5Very low76 Ų76116.4 Ų116.446%0.46164%0.638SS.*  trans-48.6102.2177.4171.90000109.8L326 L343 V409L326-V407 HydrophobicContact CD2-CG1 3.21Å; L343-V407 HydrophobicContact CD1-CG1 4.11Å; L343-V407 HydrophobicContact CD2-CB 3.78Å; L343-V407 HydrophobicContact CD2-CG1 4.02Å; L343-V407 HydrophobicContact CD2-CG2 3.99Å; V407-V409 PolarHBondContact O-N 2.55Å
408T26.7Very low40.7Very low100 Ų100109.2 Ų109.261%0.61360%0.599SS**  trans-81.7104.9-177.3-41.20000107.9S405 P406 C410S405-T408 PolarHBondContact OG-OG1 3.07Å; P406-T408 PolarHBondContact O-N 2.91Å; P406-T408 PolarHBondContact O-OG1 3.04Å; T408-C410 PolarHBondContact O-N 3.17Å; T408-C410 VanDerWaalsContact O-N 3.17Å
409V34.3Very low44Very low84 Ų84101.2 Ų101.251%0.50956%0.561SS.*  trans-68110.2168-179.80000106.9L343 V407 E411L343-V409 HydrophobicContact CD1-CG2 4.33Å; V407-V409 PolarHBondContact O-N 2.55Å; V409-E411 PolarHBondContact O-N 3.16Å
410C28.5Very low47.2Very low55 Ų5596.4 Ų96.437%0.37253%0.528SS..  trans-65.2119170-63.30000108.6T408 T412T408-C410 PolarHBondContact O-N 3.17Å; T408-C410 VanDerWaalsContact O-N 3.17Å; C410-T412 PolarHBondContact O-N 3.25Å
411E31.3Very low50.4Low197 Ų19792 Ų9292%0.92150%0.497SS*.  trans-76.344.5171.8-62.5-173.4140.800111.8V409V409-E411 PolarHBondContact O-N 3.16Å
412T35.6Very low53.7Low75 Ų7585.6 Ų85.646%0.4646%0.458SS..  trans-83.5136.1163.356.50000108.2C410 D414C410-T412 PolarHBondContact O-N 3.25Å; T412-D414 PolarHBondContact O-N 2.87Å
413N38.7Very low57Low164 Ų16477.5 Ų77.588%0.87742%0.417SS*.  trans-72.315.5-173.3-97.9-19.1000114.3L415N413-L415 PolarHBondContact O-N 3.01Å
414D51.8Low60.3Low122 Ų12267.3 Ų67.365%0.65238%0.378SS*.  trans-79.9113.8180-57.7-52.8000109.9T412 R416T412-D414 PolarHBondContact O-N 2.87Å; D414-R416 PolarHBondContact O-N 3.04Å
415L64Low63.5Low131 Ų13163.8 Ų63.869%0.68636%0.358SS*.  trans-59.1102.1179.8-72.3160.8000110.4N413 T417 D436N413-L415 PolarHBondContact O-N 3.01Å; L415-T417 PolarHBondContact O-N 3.46Å; L415-D436 HydrophobicContact CD2-CB 3.96Å
416R76.9Confident66.7Low37 Ų3760.9 Ų60.914%0.1434%0.336CS..  trans-66.3127.6178.3-61.6-177.2-175.9-150.8-6.5109.9P369 D414 Y418 D436P369-R416 HydrophobicContact CG-CB 4.08Å; P369-R416 HydrophobicContact CG-CG 4.11Å; D414-R416 PolarHBondContact O-N 3.04Å; R416-Y418 HydrophobicContact CB-CE2 3.99Å; R416-D436 PolarHBondContact O-N 3.43Å
417T88.7Confident69.8Low46 Ų4656.1 Ų56.128%0.28231%0.305SS..EExtended strand (participates in β ladder)trans-125.7131.5173.9-56.70000108.8P369 L415 D433 L434 T435P369-T417 WeakPolarHBondContact CD-O 3.32Å; L415-T417 PolarHBondContact O-N 3.46Å; T417-D433 HydrophobicContact CG2-CB 3.97Å; T417-L434 WeakPolarHBondContact CA-O 3.4Å; T417-T435 HydrophobicContact CG2-CG2 3.87Å
418Y93.6Very high72.6Confident2 Ų253.4 Ų53.41%0.00829%0.288CS..EExtended strand (participates in β ladder)trans-114116177.1-57.1-101.4000109.3D324 F327 F363 C368 R416 L434 I439D324-Y418 VanDerWaalsContact OD2-CE1 3.28Å; D324-Y418 WeakPolarHBondContact OD2-CE1 3.23Å; D324-Y418 PolarHBondContact OD2-OH 3.47Å; F327-Y418 HydrophobicContact CD2-CD2 4.44Å; F327-Y418 HydrophobicContact CD2-CE1 4.29Å; F327-Y418 HydrophobicContact CD2-CE2 4.09Å; F327-Y418 HydrophobicContact CE2-CD2 4.28Å; F327-Y418 HydrophobicContact CE2-CE1 4.43Å; F327-Y418 AromaticContact CE2-CE2 3.62Å; F327-Y418 HydrophobicContact CE2-CE2 3.62Å; F327-Y418 AromaticContact CE2-CZ 3.7Å; F363-Y418 HydrophobicContact CE1-CD1 4.49Å; F363-Y418 HydrophobicContact CE1-CG 4.45Å; C368-Y418 HydrophobicContact CB-CD1 4.3Å; R416-Y418 HydrophobicContact CB-CE2 3.99Å; Y418-L434 HydrophobicContact CD2-CD2 4.25Å; Y418-L434 PolarHBondContact N-O 3.35Å; Y418-L434 PolarHBondContact O-N 3Å; Y418-I439 HydrophobicContact CD2-CD1 4.13Å; Y418-I439 HydrophobicContact CE2-CD1 3.91Å
419R93.2Very high75.9Confident12 Ų1248.7 Ų48.75%0.04526%0.258CS..EExtended strand (participates in β ladder)trans-76.4130.6169-179.6595186.54.1109.5E9 D364 L367 W432 D433E9-R419 IonicContact OE1-CZ 2.9Å; E9-R419 IonicContact OE1-NH1 3.48Å; E9-R419 PolarHBondContact OE1-NH1 3.1Å; E9-R419 IonicContact OE2-CZ 3.86Å; E9-R419 IonicContact OE2-NH1 2.75Å; E9-R419 PolarHBondContact OE2-NH1 3.17Å; E9-R419 IonicContact OE2-NH2 3.26Å; E9-R419 PolarHBondContact OE2-NH2 3.29Å; D364-R419 HydrophobicContact CB-CB 3.95Å; D364-R419 HydrophobicContact CB-CG 3.85Å; D364-R419 WeakPolarHBondContact CB-O 3.47Å; D364-R419 PolarHBondContact N-O 3.28Å; L367-R419 HydrophobicContact CB-CB 3.9Å; L367-R419 HydrophobicContact CB-CG 4.49Å; L367-R419 HydrophobicContact CD1-CB 4.43Å; L367-R419 HydrophobicContact CD1-CG 4.18Å; R419-W432 WeakPolarHBondContact CD-O 3.32Å; R419-D433 IonicContact CZ-OD1 3.81Å; R419-D433 VanDerWaalsContact CZ-OD1 3.26Å; R419-D433 IonicContact CZ-OD2 3.2Å; R419-D433 IonicContact NE-OD1 2.68Å; R419-D433 PolarHBondContact NE-OD1 2.99Å; R419-D433 IonicContact NE-OD2 3Å; R419-D433 VanDerWaalsContact NH2-CG 3.27Å; R419-D433 IonicContact NH2-OD1 2.77Å; R419-D433 PolarHBondContact NH2-OD1 2.87Å; R419-D433 IonicContact NH2-OD2 2.7Å; R419-D433 PolarHBondContact NH2-OD2 2.92Å
420L95.8Very high78.8Confident0 Ų044.7 Ų44.70%023%0.234CC..EExtended strand (participates in β ladder)trans-130.8157.3169.663.6126.2000110.9V329 V337 I339 R362 F363 L431 W432 L434V329-L420 HydrophobicContact CG2-CD1 4.13Å; V337-L420 HydrophobicContact CG1-CD1 4.09Å; I339-L420 HydrophobicContact CD1-CD2 4.11Å; R362-L420 CarbonylContact O-C 3.49Å; R362-L420 VanDerWaalsContact O-CA 3.28Å; R362-L420 WeakPolarHBondContact O-CA 3.33Å; R362-L420 WeakPolarHBondContact O-CB 3.32Å; F363-L420 HydrophobicContact CD1-CB 4.18Å; F363-L420 HydrophobicContact CE1-CB 4.41Å; F363-L420 HydrophobicContact CE1-CD2 4.41Å; L420-L431 WeakPolarHBondContact O-CA 3.28Å; L420-W432 HydrophobicContact CD1-CB 4.02Å; L420-W432 HydrophobicContact CD1-CG 3.81Å; L420-W432 HydrophobicContact CD2-CB 4.13Å; L420-W432 HydrophobicContact CG-CB 3.82Å; L420-W432 HydrophobicContact CG-CG 4.1Å; L420-W432 PolarHBondContact N-O 2.63Å; L420-W432 PolarHBondContact O-N 2.88Å; L420-L434 HydrophobicContact CD2-CB 4.24Å
421G96.7Very high82Confident0 Ų042.1 Ų42.10%022%0.217CC..EExtended strand (participates in β ladder)trans-129.3148.7174.300000111.4V361 R362 C430 L650V361-G421 CarbonylContact C-O 3.56Å; V361-G421 WeakPolarHBondContact CA-O 3.21Å; R362-G421 PolarHBondContact N-O 3.18Å; R362-G421 PolarHBondContact O-N 2.93Å; G421-C430 CarbonylContact C-O 3.42Å; G421-C430 VanDerWaalsContact CA-O 3.3Å; G421-C430 WeakPolarHBondContact CA-O 3.45Å; G421-L650 VanDerWaalsContact C-CD2 3.48Å
422S98.2Very high85.1Confident0 Ų032.8 Ų32.80%017%0.173CC..EExtended strand (participates in β ladder)trans-138.8150.7173.764.30000111.1H354 M360 C430 W432H354-S422 PolarHBondContact CD2-OG 3.15Å; H354-S422 WeakPolarHBondContact NE2-CB 3.48Å; H354-S422 PolarHBondContact NE2-OG 3.47Å; M360-S422 VanDerWaalsContact O-CA 3.32Å; M360-S422 WeakPolarHBondContact O-CA 3.39Å; S422-C430 PolarHBondContact N-O 2.84Å; S422-C430 PolarHBondContact O-N 3.41Å; S422-W432 WeakPolarHBondContact OG-CZ2 3.2Å; S422-W432 PolarHBondContact OG-NE1 2.89Å
423V97.3Very high87.9Confident0 Ų030.3 Ų30.30%016%0.157CC..EExtended strand (participates in β ladder)trans-135154.4177.4-69.60000109.7S359 M360 M428 L429 V647 L650 I659S359-V423 PolarHBondContact N-O 3.16Å; S359-V423 PolarHBondContact OG-O 2.94Å; S359-V423 VanDerWaalsContact OG-O 3.11Å; M360-V423 HydrophobicContact CB-CG2 3.67Å; M360-V423 PolarHBondContact N-O 2.98Å; M360-V423 PolarHBondContact O-N 2.9Å; V423-M428 WeakPolarHBondContact CA-O 3.29Å; V423-L429 HydrophobicContact CG1-CB 4.38Å; V423-L429 HydrophobicContact CG1-CD1 3.84Å; V423-V647 HydrophobicContact CB-CB 3.87Å; V423-V647 HydrophobicContact CB-CG1 3.49Å; V423-V647 VanDerWaalsContact CB-CG1 3.49Å; V423-V647 HydrophobicContact CB-CG2 4.48Å; V423-V647 HydrophobicContact CG1-CG1 3.82Å; V423-V647 HydrophobicContact CG2-CB 4.28Å; V423-V647 HydrophobicContact CG2-CG1 3.62Å; V423-L650 HydrophobicContact CG1-CB 4.2Å; V423-L650 HydrophobicContact CG1-CD2 4.35Å; V423-L650 HydrophobicContact CG2-CB 3.84Å; V423-I659 HydrophobicContact CG1-CD1 4.14Å; V423-I659 HydrophobicContact CG1-CG2 4.45Å
424G95.8Very high90.5Very high0 Ų022.5 Ų22.50%012%0.115CC..EExtended strand (participates in β ladder)trans-146.8173.8-170.700000116.2W357 D426 T427 M428 V647W357-G424 CarbonylContact O-C 3.52Å; W357-G424 WeakPolarHBondContact O-CA 3.21Å; G424-D426 PolarHBondContact O-N 3.26Å; G424-T427 PolarHBondContact O-N 2.9Å; G424-T427 VanDerWaalsContact O-N 3.08Å; G424-M428 PolarHBondContact N-O 3.13Å; G424-V647 PolarHBondContact O-N 2.82Å
425H94.9Very high92.5Very high56 Ų5618.4 Ų18.426%0.25910%0.095SC..THydrogen-bonded Turntrans-63.9-16.7173-75.1-173.3000113.2W357 T427 R646W357-H425 AromaticContact CE3-CE1 3.65Å; W357-H425 AromaticContact CE3-ND1 3.78Å; W357-H425 PolarHBondContact O-N 3Å; H425-T427 PolarHBondContact O-N 3.41Å; H425-R646 HydrophobicContact CB-CG 4.18Å
426D95Very high93.7Very high13 Ų1313.3 Ų13.37%0.077%0.068CC..THydrogen-bonded Turntrans-75.3-2.9172.663.3-2000113.9H354 K355 G424 M428 R641H354-D426 WeakPolarHBondContact CA-OD2 3.01Å; H354-D426 WeakPolarHBondContact CB-OD2 3.1Å; H354-D426 IonicContact CE1-OD1 3Å; H354-D426 IonicContact CG-OD2 3.26Å; H354-D426 IonicContact ND1-OD1 2.71Å; H354-D426 PolarHBondContact ND1-OD1 3.4Å; H354-D426 VanDerWaalsContact ND1-OD1 3.16Å; H354-D426 IonicContact ND1-OD2 3.55Å; H354-D426 PolarHBondContact ND1-OD2 3.06Å; K355-D426 HydrophobicContact CB-CB 4.2Å; K355-D426 PolarHBondContact N-OD2 2.75Å; G424-D426 PolarHBondContact O-N 3.26Å; D426-M428 VanDerWaalsContact C-N 3.27Å; D426-M428 HydrophobicContact CB-CG 4.1Å; D426-M428 PolarHBondContact O-N 3.12Å; D426-M428 WeakPolarHBondContact OD1-CB 3.35Å; D426-M428 PolarHBondContact OD1-N 3.47Å; D426-M428 WeakPolarHBondContact OD2-CG 3.28Å; D426-R641 PolarHBondContact O-NH2 2.77Å
427T94.1Very high94.5Very high8 Ų816.1 Ų16.15%0.0499%0.086CC..  trans70.516.1-178.877.90000114.8G424 H425 R641 I642 L643 D645G424-T427 PolarHBondContact O-N 2.9Å; G424-T427 VanDerWaalsContact O-N 3.08Å; H425-T427 PolarHBondContact O-N 3.41Å; T427-R641 PolarHBondContact OG1-NH1 2.86Å; T427-I642 PolarHBondContact O-N 2.86Å; T427-L643 PolarHBondContact OG1-O 2.8Å; T427-D645 VanDerWaalsContact CG2-C 3.49Å; T427-D645 WeakPolarHBondContact CG2-O 3.42Å
428M93.8Very high94.7Very high20 Ų2015.2 Ų15.210%0.0998%0.079CC..EExtended strand (participates in β ladder)trans-91.7147.4-178.5-55.1-62.7-68.300111.2V423 G424 D426 C639 T640 R641V423-M428 WeakPolarHBondContact CA-O 3.29Å; G424-M428 PolarHBondContact N-O 3.13Å; D426-M428 VanDerWaalsContact C-N 3.27Å; D426-M428 HydrophobicContact CB-CG 4.1Å; D426-M428 PolarHBondContact O-N 3.12Å; D426-M428 WeakPolarHBondContact OD1-CB 3.35Å; D426-M428 PolarHBondContact OD1-N 3.47Å; D426-M428 WeakPolarHBondContact OD2-CG 3.28Å; M428-C639 WeakPolarHBondContact CE-SG 3.18Å; M428-T640 WeakPolarHBondContact CA-O 3.46Å; M428-T640 VanDerWaalsContact CE-C 3.44Å; M428-R641 HydrophobicContact SD-CB 3.74Å; M428-R641 HydrophobicContact SD-CG 4.45Å
429L94.9Very high94.6Very high0 Ų015.9 Ų15.90%08%0.083CC..EExtended strand (participates in β ladder)trans-100128.3155.4168.864.5000107.8F5 V423 L431 C639 T640 I642 L650 I659F5-L429 HydrophobicContact CE1-CD2 3.86Å; F5-L429 HydrophobicContact CZ-CD2 3.82Å; V423-L429 HydrophobicContact CG1-CB 4.38Å; V423-L429 HydrophobicContact CG1-CD1 3.84Å; L429-L431 HydrophobicContact CD1-CD2 4.15Å; L429-C639 WeakPolarHBondContact O-CA 3.26Å; L429-T640 PolarHBondContact N-O 2.57Å; L429-T640 PolarHBondContact O-N 3.34Å; L429-I642 HydrophobicContact CB-CD1 3.88Å; L429-I642 HydrophobicContact CB-CG1 4.23Å; L429-I642 HydrophobicContact CB-CG2 4.1Å; L429-L650 HydrophobicContact CD1-CD1 4.38Å; L429-L650 HydrophobicContact CD1-CD2 4.47Å; L429-I659 HydrophobicContact CB-CD1 4.3Å; L429-I659 HydrophobicContact CD1-CD1 3.86Å; L429-I659 HydrophobicContact CD2-CD1 3.85Å; L429-I659 HydrophobicContact CG-CD1 4.21Å
430C96.4Very high94.6Very high0 Ų023 Ų230%011%0.11CC..EExtended strand (participates in β ladder)trans-113.1135.5167.9-63.10000110.4G421 S422 W432 P636 V638G421-C430 CarbonylContact C-O 3.42Å; G421-C430 VanDerWaalsContact CA-O 3.3Å; G421-C430 WeakPolarHBondContact CA-O 3.45Å; S422-C430 PolarHBondContact N-O 2.84Å; S422-C430 PolarHBondContact O-N 3.41Å; C430-W432 HydrophobicContact CB-CD2 4.46Å; C430-W432 HydrophobicContact CB-CH2 4.28Å; C430-W432 HydrophobicContact CB-CZ2 3.42Å; C430-W432 VanDerWaalsContact CB-CZ2 3.42Å; C430-P636 HydrophobicContact CB-CB 4.14Å; C430-V638 CarbonylContact C-O 3.45Å; C430-V638 WeakPolarHBondContact CA-O 3.37Å
431L95.9Very high94.3Very high1 Ų128.8 Ų28.81%0.00514%0.137CC..EExtended strand (participates in β ladder)trans-115.1142.9167-60.9-179.2000109.2F5 L420 L429 P636 L637 V638 F652F5-L431 HydrophobicContact CD2-CD1 4.48Å; F5-L431 HydrophobicContact CE2-CD1 3.8Å; L420-L431 WeakPolarHBondContact O-CA 3.28Å; L429-L431 HydrophobicContact CD1-CD2 4.15Å; L431-P636 CarbonylContact O-C 3.59Å; L431-P636 WeakPolarHBondContact O-CA 3.49Å; L431-L637 PolarHBondContact O-N 2.93Å; L431-V638 HydrophobicContact CB-CB 4.02Å; L431-V638 HydrophobicContact CB-CG2 4.24Å; L431-V638 HydrophobicContact CD1-CB 4.25Å; L431-V638 HydrophobicContact CD1-CG2 4.05Å; L431-V638 HydrophobicContact CG-CB 4.19Å; L431-V638 HydrophobicContact CG-CG2 4.47Å; L431-V638 PolarHBondContact N-O 2.77Å; L431-V638 PolarHBondContact O-N 3.11Å; L431-F652 HydrophobicContact CD2-CE1 4.2Å; L431-F652 HydrophobicContact CD2-CZ 3.91Å
432W96.2Very high94Very high1 Ų128.8 Ų28.80%0.00414%0.137CC..EExtended strand (participates in β ladder)trans-140.9147-174.7-27.772.1000110.2V337 C351 R419 L420 S422 C430 L634 P636V337-W432 HydrophobicContact CG2-CZ2 3.99Å; C351-W432 HydrophobicContact CB-CD2 3.8Å; C351-W432 HydrophobicContact CB-CE3 3.32Å; C351-W432 HydrophobicContact CB-CH2 3.72Å; C351-W432 HydrophobicContact CB-CZ2 4.17Å; C351-W432 HydrophobicContact CB-CZ3 3.27Å; R419-W432 WeakPolarHBondContact CD-O 3.32Å; L420-W432 HydrophobicContact CD1-CB 4.02Å; L420-W432 HydrophobicContact CD1-CG 3.81Å; L420-W432 HydrophobicContact CD2-CB 4.13Å; L420-W432 HydrophobicContact CG-CB 3.82Å; L420-W432 HydrophobicContact CG-CG 4.1Å; L420-W432 PolarHBondContact N-O 2.63Å; L420-W432 PolarHBondContact O-N 2.88Å; S422-W432 WeakPolarHBondContact OG-CZ2 3.2Å; S422-W432 PolarHBondContact OG-NE1 2.89Å; C430-W432 HydrophobicContact CB-CD2 4.46Å; C430-W432 HydrophobicContact CB-CH2 4.28Å; C430-W432 HydrophobicContact CB-CZ2 3.42Å; C430-W432 VanDerWaalsContact CB-CZ2 3.42Å; W432-L634 HydrophobicContact CE3-CB 4.49Å; W432-P636 HydrophobicContact CD2-CB 4.08Å; W432-P636 VanDerWaalsContact CE3-CA 3.42Å; W432-P636 HydrophobicContact CE3-CB 3.64Å; W432-P636 HydrophobicContact CE3-CG 4.44Å; W432-P636 HydrophobicContact CH2-CB 4.02Å; W432-P636 HydrophobicContact CH2-CG 4.31Å; W432-P636 HydrophobicContact CZ2-CB 4.39Å; W432-P636 HydrophobicContact CZ3-CB 3.62Å; W432-P636 HydrophobicContact CZ3-CG 3.98Å
433D94Very high93.6Very high23 Ų2329.6 Ų29.612%0.12314%0.142CC..EExtended strand (participates in β ladder)trans-109.9125.4169.8-78.3-45.7000109.9I8 T417 R419 T435 L634I8-D433 WeakPolarHBondContact CD1-OD2 3.33Å; T417-D433 HydrophobicContact CG2-CB 3.97Å; R419-D433 IonicContact CZ-OD1 3.81Å; R419-D433 VanDerWaalsContact CZ-OD1 3.26Å; R419-D433 IonicContact CZ-OD2 3.2Å; R419-D433 IonicContact NE-OD1 2.68Å; R419-D433 PolarHBondContact NE-OD1 2.99Å; R419-D433 IonicContact NE-OD2 3Å; R419-D433 VanDerWaalsContact NH2-CG 3.27Å; R419-D433 IonicContact NH2-OD1 2.77Å; R419-D433 PolarHBondContact NH2-OD1 2.87Å; R419-D433 IonicContact NH2-OD2 2.7Å; R419-D433 PolarHBondContact NH2-OD2 2.92Å; D433-T435 HydrophobicContact CB-CG2 4.4Å; D433-L634 VanDerWaalsContact O-CD2 3.25Å; D433-L634 WeakPolarHBondContact O-CD2 3.43Å
434L94.3Very high93.1Very high0 Ų032.5 Ų32.50%017%0.166CC..EExtended strand (participates in β ladder)trans-96.2100.1165.6176.672000108F327 I339 T417 Y418 L420 I438 I439 L634F327-L434 HydrophobicContact CD2-CD2 4.22Å; F327-L434 HydrophobicContact CE2-CD2 4.47Å; F327-L434 HydrophobicContact CG-CD2 4.28Å; I339-L434 HydrophobicContact CD1-CB 4.28Å; I339-L434 HydrophobicContact CD1-CD1 3.93Å; I339-L434 HydrophobicContact CD1-CD2 4.24Å; I339-L434 HydrophobicContact CD1-CG 4.37Å; I339-L434 HydrophobicContact CG2-CD2 3.86Å; T417-L434 WeakPolarHBondContact CA-O 3.4Å; Y418-L434 HydrophobicContact CD2-CD2 4.25Å; Y418-L434 PolarHBondContact N-O 3.35Å; Y418-L434 PolarHBondContact O-N 3Å; L420-L434 HydrophobicContact CD2-CB 4.24Å; L434-I438 HydrophobicContact CD1-CB 4.41Å; L434-I438 HydrophobicContact CD1-CG2 3.96Å; L434-I439 HydrophobicContact CD1-CG1 3.74Å; L434-I439 HydrophobicContact CD2-CD1 3.96Å; L434-I439 HydrophobicContact CD2-CG1 3.88Å; L434-I439 HydrophobicContact CG-CD1 3.88Å; L434-I439 HydrophobicContact CG-CG1 3.63Å; L434-L634 HydrophobicContact CD1-CD1 4.33Å
435T92.7Very high92.5Very high36 Ų3635.9 Ų35.922%0.22118%0.181CC..EExtended strand (participates in β ladder)trans-89.5156.817852.10000112T417 D433 D437 I438 I439T417-T435 HydrophobicContact CG2-CG2 3.87Å; D433-T435 HydrophobicContact CB-CG2 4.4Å; T435-D437 VanDerWaalsContact C-N 3.27Å; T435-D437 WeakPolarHBondContact CB-OD1 3.31Å; T435-D437 PolarHBondContact O-N 2.96Å; T435-D437 PolarHBondContact OG1-OD1 3.46Å; T435-I438 PolarHBondContact O-N 2.87Å; T435-I438 VanDerWaalsContact O-N 3.1Å; T435-I438 WeakPolarHBondContact OG1-CD1 3.33Å; T435-I438 WeakPolarHBondContact OG1-CG1 3.46Å; T435-I439 WeakPolarHBondContact O-CG1 3.28Å; T435-I439 PolarHBondContact O-N 2.87Å
436D90.3Very high91.8Very high24 Ų2433.2 Ų33.213%0.12817%0.168CC..Hα-helixtrans-58.4-31.8-176.9-173.554.5000114.1L415 R416 I439 R440L415-D436 HydrophobicContact CD2-CB 3.96Å; R416-D436 PolarHBondContact O-N 3.43Å; D436-I439 PolarHBondContact O-N 2.83Å; D436-R440 WeakPolarHBondContact O-CB 3.44Å; D436-R440 VanDerWaalsContact O-CG 3.23Å; D436-R440 WeakPolarHBondContact O-CG 3.26Å; D436-R440 PolarHBondContact O-N 3.03Å; D436-R440 IonicContact OD1-CZ 2.77Å; D436-R440 IonicContact OD1-NE 3.98Å; D436-R440 IonicContact OD1-NH2 2.67Å; D436-R440 IonicContact OD2-CZ 3.96Å; D436-R440 IonicContact OD2-NE 3.57Å; D436-R440 PolarHBondContact OD2-NE 2.57Å; D436-R440 IonicContact OD2-NH2 3.69Å; D436-R440 PolarHBondContact OD2-NH2 2.81Å
437D91.8Very high91.3Very high97 Ų9739.1 Ų39.152%0.51919%0.19SC..Hα-helixtrans-66.6-39.7175.164.6-56.6000112.5T435 R440 Q441T435-D437 VanDerWaalsContact C-N 3.27Å; T435-D437 WeakPolarHBondContact CB-OD1 3.31Å; T435-D437 PolarHBondContact O-N 2.96Å; T435-D437 PolarHBondContact OG1-OD1 3.46Å; D437-R440 PolarHBondContact O-N 2.7Å; D437-Q441 WeakPolarHBondContact O-CB 3.4Å; D437-Q441 PolarHBondContact O-N 2.87Å
438I93.5Very high90.8Very high26 Ų2641.9 Ų41.913%0.13321%0.209CC..Hα-helixtrans-68.3-42.2176-62.1178000110.2C349 L434 T435 Q441 G442 P632 L634C349-I438 HydrophobicContact CB-CG2 4.22Å; L434-I438 HydrophobicContact CD1-CB 4.41Å; L434-I438 HydrophobicContact CD1-CG2 3.96Å; T435-I438 PolarHBondContact O-N 2.87Å; T435-I438 VanDerWaalsContact O-N 3.1Å; T435-I438 WeakPolarHBondContact OG1-CD1 3.33Å; T435-I438 WeakPolarHBondContact OG1-CG1 3.46Å; I438-Q441 PolarHBondContact O-N 2.78Å; I438-G442 PolarHBondContact O-N 2.97Å; I438-P632 HydrophobicContact CG2-CB 3.92Å; I438-P632 HydrophobicContact CG2-CG 4.38Å; I438-L634 HydrophobicContact CD1-CD2 3.44Å; I438-L634 VanDerWaalsContact CD1-CD2 3.44Å; I438-L634 HydrophobicContact CD1-CG 3.96Å; I438-L634 HydrophobicContact CG2-CG 4.44Å
439I92.8Very high90.1Very high17 Ų1742.2 Ų42.29%0.08722%0.215CC..Hα-helixtrans-57.8-51.6173.1-64.1167.6000109.8F327 I348 Y418 L434 T435 D436 Q441 G442 V443F327-I439 HydrophobicContact CE1-CG2 4.19Å; F327-I439 HydrophobicContact CE2-CD1 3.93Å; F327-I439 HydrophobicContact CZ-CD1 3.76Å; F327-I439 HydrophobicContact CZ-CG1 4.15Å; F327-I439 HydrophobicContact CZ-CG2 3.88Å; I348-I439 HydrophobicContact CD1-CG1 4.38Å; I348-I439 HydrophobicContact CD1-CG2 4.35Å; Y418-I439 HydrophobicContact CD2-CD1 4.13Å; Y418-I439 HydrophobicContact CE2-CD1 3.91Å; L434-I439 HydrophobicContact CD1-CG1 3.74Å; L434-I439 HydrophobicContact CD2-CD1 3.96Å; L434-I439 HydrophobicContact CD2-CG1 3.88Å; L434-I439 HydrophobicContact CG-CD1 3.88Å; L434-I439 HydrophobicContact CG-CG1 3.63Å; T435-I439 WeakPolarHBondContact O-CG1 3.28Å; T435-I439 PolarHBondContact O-N 2.87Å; D436-I439 PolarHBondContact O-N 2.83Å; I439-Q441 PolarHBondContact O-N 2.83Å; I439-G442 PolarHBondContact O-N 3.05Å; I439-V443 HydrophobicContact CG2-CG2 4.27Å; I439-V443 WeakPolarHBondContact O-CB 3.44Å; I439-V443 VanDerWaalsContact O-CG2 3.27Å; I439-V443 WeakPolarHBondContact O-CG2 3.19Å; I439-V443 PolarHBondContact O-N 2.93Å
440R91.3Very high89.2Confident161 Ų16143.5 Ų43.561%0.60822%0.222SC*.Hα-helixtrans-60-42.5178.9-74.9175.8-162.7-91-6.1112.4D436 D437 A444D436-R440 WeakPolarHBondContact O-CB 3.44Å; D436-R440 VanDerWaalsContact O-CG 3.23Å; D436-R440 WeakPolarHBondContact O-CG 3.26Å; D436-R440 PolarHBondContact O-N 3.03Å; D436-R440 IonicContact OD1-CZ 2.77Å; D436-R440 IonicContact OD1-NE 3.98Å; D436-R440 IonicContact OD1-NH2 2.67Å; D436-R440 IonicContact OD2-CZ 3.96Å; D436-R440 IonicContact OD2-NE 3.57Å; D436-R440 PolarHBondContact OD2-NE 2.57Å; D436-R440 IonicContact OD2-NH2 3.69Å; D436-R440 PolarHBondContact OD2-NH2 2.81Å; D437-R440 PolarHBondContact O-N 2.7Å; R440-A444 WeakPolarHBondContact O-CB 3.33Å; R440-A444 PolarHBondContact O-N 2.9Å
441Q91.2Very high88.3Confident121 Ų12150.4 Ų50.457%0.56525%0.252SS*.Hα-helixtrans-62.9-47.1179-171.4-178.47.600111.3D437 I438 I439 A444 F445 P632D437-Q441 WeakPolarHBondContact O-CB 3.4Å; D437-Q441 PolarHBondContact O-N 2.87Å; I438-Q441 PolarHBondContact O-N 2.78Å; I439-Q441 PolarHBondContact O-N 2.83Å; Q441-A444 PolarHBondContact O-N 3.35Å; Q441-F445 PolarHBondContact O-N 3.43Å; Q441-F445 VanDerWaalsContact O-N 3.12Å; Q441-P632 HydrophobicContact CB-CG 3.89Å; Q441-P632 HydrophobicContact CG-CG 3.81Å
442G90.4Very high86.9Confident0 Ų055.3 Ų55.30%028%0.278CS..Hα-helixtrans-60.5-51.117600000112.7I348 I438 I439 A444 F445 I446I348-G442 WeakPolarHBondContact O-CA 3.4Å; I438-G442 PolarHBondContact O-N 2.97Å; I439-G442 PolarHBondContact O-N 3.05Å; G442-A444 VanDerWaalsContact C-N 3.34Å; G442-A444 PolarHBondContact O-N 3.44Å; G442-F445 PolarHBondContact O-N 2.79Å; G442-I446 WeakPolarHBondContact O-CG1 3.3Å; G442-I446 PolarHBondContact O-N 3.14Å
443V88.4Confident85.4Confident17 Ų1757 Ų5710%0.10329%0.29CS..Hα-helixtrans-61.7-39.7179.1171.30000111.9D344 I348 I439 I446 R447D344-V443 WeakPolarHBondContact OD2-CG2 3.49Å; I348-V443 HydrophobicContact CG2-CG2 3.85Å; I439-V443 HydrophobicContact CG2-CG2 4.27Å; I439-V443 WeakPolarHBondContact O-CB 3.44Å; I439-V443 VanDerWaalsContact O-CG2 3.27Å; I439-V443 WeakPolarHBondContact O-CG2 3.19Å; I439-V443 PolarHBondContact O-N 2.93Å; V443-I446 PolarHBondContact O-N 2.94Å; V443-R447 HydrophobicContact CG1-CG 4.33Å; V443-R447 VanDerWaalsContact CG1-CZ 3.44Å; V443-R447 VanDerWaalsContact CG1-NE 3.26Å; V443-R447 WeakPolarHBondContact O-CB 3.49Å; V443-R447 VanDerWaalsContact O-CG 3.32Å; V443-R447 WeakPolarHBondContact O-CG 3.4Å; V443-R447 PolarHBondContact O-N 3.18Å
444A86.6Confident83.6Confident62 Ų6260.1 Ų60.151%0.51231%0.307SS..Hα-helixtrans-63.9-41.6177.200000112.4R440 Q441 G442 S448R440-A444 WeakPolarHBondContact O-CB 3.33Å; R440-A444 PolarHBondContact O-N 2.9Å; Q441-A444 PolarHBondContact O-N 3.35Å; G442-A444 VanDerWaalsContact C-N 3.34Å; G442-A444 PolarHBondContact O-N 3.44Å; A444-S448 PolarHBondContact O-N 3.43Å; A444-S448 VanDerWaalsContact O-N 3.15Å
445F83Confident81.4Confident70 Ų7066.2 Ų66.231%0.30734%0.339SS..Hα-helixtrans-60.5-51.3173.7170.7-95.8000111.4Q441 G442 R447 S448 A449 D630 V631Q441-F445 PolarHBondContact O-N 3.43Å; Q441-F445 VanDerWaalsContact O-N 3.12Å; G442-F445 PolarHBondContact O-N 2.79Å; F445-R447 PolarHBondContact O-N 2.89Å; F445-S448 VanDerWaalsContact O-CB 3.31Å; F445-S448 WeakPolarHBondContact O-CB 3.36Å; F445-S448 PolarHBondContact O-N 2.89Å; F445-S448 VanDerWaalsContact O-N 3.08Å; F445-A449 HydrophobicContact CE1-CB 4.5Å; F445-A449 PolarHBondContact O-N 2.75Å; F445-D630 WeakPolarHBondContact CD1-O 3.43Å; F445-D630 VanDerWaalsContact CD2-O 3.24Å; F445-D630 WeakPolarHBondContact CD2-O 3.42Å; F445-D630 HydrophobicContact CE1-CB 3.76Å; F445-D630 WeakPolarHBondContact CE1-O 3.39Å; F445-D630 HydrophobicContact CE2-CB 4.14Å; F445-D630 WeakPolarHBondContact CG-O 3.11Å; F445-D630 HydrophobicContact CZ-CB 3.51Å; F445-V631 HydrophobicContact CD1-CG1 4.31Å
446I82.2Confident79.1Confident0 Ų068.9 Ų68.90%036%0.36CS..Hα-helixtrans-59.2-45.7-178.5-67-54.8000111.7A346 V347 G442 V443 S448 A449 I450 P623A346-I446 HydrophobicContact CB-CB 4.38Å; A346-I446 HydrophobicContact CB-CD1 4.07Å; A346-I446 HydrophobicContact CB-CG1 3.96Å; A346-I446 HydrophobicContact CB-CG2 3.55Å; V347-I446 WeakPolarHBondContact O-CD1 3.48Å; V347-I446 WeakPolarHBondContact O-CG1 3.38Å; G442-I446 WeakPolarHBondContact O-CG1 3.3Å; G442-I446 PolarHBondContact O-N 3.14Å; V443-I446 PolarHBondContact O-N 2.94Å; I446-S448 PolarHBondContact O-N 2.81Å; I446-A449 WeakPolarHBondContact O-CB 3.34Å; I446-A449 PolarHBondContact O-N 3.32Å; I446-A449 VanDerWaalsContact O-N 3.13Å; I446-I450 HydrophobicContact CG2-CD1 3.69Å; I446-I450 HydrophobicContact CG2-CG1 4.38Å; I446-I450 WeakPolarHBondContact O-CG1 3.32Å; I446-I450 PolarHBondContact O-N 3.46Å; I446-P623 HydrophobicContact CD1-CB 3.81Å; I446-P623 HydrophobicContact CD1-CG 4.21Å; I446-P623 HydrophobicContact CG2-CB 4.2Å; I446-P623 HydrophobicContact CG2-CG 4.42Å
447R83.8Confident76.5Confident138 Ų13874.6 Ų74.652%0.52138%0.384SS..Hα-helixtrans-65.4-27.2178.4-70177-176.1-1775.6112.8D344 V443 F445 K451D344-R447 IonicContact OD1-CZ 3.2Å; D344-R447 VanDerWaalsContact OD1-CZ 3.26Å; D344-R447 IonicContact OD1-NE 3.8Å; D344-R447 PolarHBondContact OD1-NE 2.63Å; D344-R447 IonicContact OD1-NH2 2.74Å; D344-R447 PolarHBondContact OD1-NH2 3.08Å; D344-R447 IonicContact OD2-NH2 3.59Å; V443-R447 HydrophobicContact CG1-CG 4.33Å; V443-R447 VanDerWaalsContact CG1-CZ 3.44Å; V443-R447 VanDerWaalsContact CG1-NE 3.26Å; V443-R447 WeakPolarHBondContact O-CB 3.49Å; V443-R447 VanDerWaalsContact O-CG 3.32Å; V443-R447 WeakPolarHBondContact O-CG 3.4Å; V443-R447 PolarHBondContact O-N 3.18Å; F445-R447 PolarHBondContact O-N 2.89Å; R447-K451 WeakPolarHBondContact O-CD 3.43Å; R447-K451 VanDerWaalsContact O-CG 3.26Å; R447-K451 WeakPolarHBondContact O-CG 3.44Å; R447-K451 PolarHBondContact O-N 3.43Å
448S83.4Confident73.5Confident65 Ų6573.1 Ų73.146%0.45539%0.391SS..Hα-helixtrans-71.2-45.4170.5-169.60000111.5A444 F445 I446 I450 K451 N452A444-S448 PolarHBondContact O-N 3.43Å; A444-S448 VanDerWaalsContact O-N 3.15Å; F445-S448 VanDerWaalsContact O-CB 3.31Å; F445-S448 WeakPolarHBondContact O-CB 3.36Å; F445-S448 PolarHBondContact O-N 2.89Å; F445-S448 VanDerWaalsContact O-N 3.08Å; I446-S448 PolarHBondContact O-N 2.81Å; S448-I450 PolarHBondContact O-N 3.19Å; S448-K451 PolarHBondContact O-N 3.04Å; S448-N452 PolarHBondContact O-N 2.84Å; S448-N452 VanDerWaalsContact O-N 3.16Å; S448-N452 PolarHBondContact O-ND2 3.05Å
449A79.6Confident70.2Confident27 Ų2779.2 Ų79.222%0.22342%0.424CS..Hα-helixtrans-60.1-45.8178.300000112.5F445 I446 N452 S453 P623F445-A449 HydrophobicContact CE1-CB 4.5Å; F445-A449 PolarHBondContact O-N 2.75Å; I446-A449 WeakPolarHBondContact O-CB 3.34Å; I446-A449 PolarHBondContact O-N 3.32Å; I446-A449 VanDerWaalsContact O-N 3.13Å; A449-N452 PolarHBondContact O-N 3.01Å; A449-S453 PolarHBondContact O-N 3.36Å; A449-S453 VanDerWaalsContact O-N 3.17Å; A449-P623 HydrophobicContact CB-CG 4.14Å
450I76.3Confident67Low27 Ų2786.1 Ų86.114%0.13846%0.46CS..Hα-helixtrans-64.4-44.1179.7-63.8167.2000111.5I446 S448 N452 S453 D454 W610 P623I446-I450 HydrophobicContact CG2-CD1 3.69Å; I446-I450 HydrophobicContact CG2-CG1 4.38Å; I446-I450 WeakPolarHBondContact O-CG1 3.32Å; I446-I450 PolarHBondContact O-N 3.46Å; S448-I450 PolarHBondContact O-N 3.19Å; I450-N452 PolarHBondContact O-N 3.16Å; I450-S453 WeakPolarHBondContact CA-OG 3.28Å; I450-S453 PolarHBondContact O-N 3.08Å; I450-S453 VanDerWaalsContact O-N 3.09Å; I450-S453 PolarHBondContact O-OG 3.23Å; I450-D454 PolarHBondContact O-N 3.1Å; I450-W610 HydrophobicContact CD1-CD2 4.01Å; I450-W610 HydrophobicContact CD1-CE3 4.46Å; I450-W610 HydrophobicContact CD1-CH2 4.22Å; I450-W610 HydrophobicContact CD1-CZ2 3.72Å; I450-W610 HydrophobicContact CG1-CD2 3.86Å; I450-W610 HydrophobicContact CG1-CE3 4.09Å; I450-W610 HydrophobicContact CG1-CG 4.3Å; I450-W610 HydrophobicContact CG1-CZ2 4.38Å; I450-W610 HydrophobicContact CG1-CZ3 4.47Å; I450-W610 HydrophobicContact CG2-CB 4.11Å; I450-W610 HydrophobicContact CG2-CD2 4.22Å; I450-W610 HydrophobicContact CG2-CG 3.75Å; I450-P623 HydrophobicContact CG1-CG 4.01Å
451K75.9Confident63.8Low145 Ų14584.7 Ų84.763%0.6347%0.469SS*.Hα-helixtrans-60.1-33.8176.2-75.8176.3179.1-1740112.9R447 S448 N455R447-K451 WeakPolarHBondContact O-CD 3.43Å; R447-K451 VanDerWaalsContact O-CG 3.26Å; R447-K451 WeakPolarHBondContact O-CG 3.44Å; R447-K451 PolarHBondContact O-N 3.43Å; S448-K451 PolarHBondContact O-N 3.04Å; K451-N455 PolarHBondContact O-N 2.8Å; K451-N455 PolarHBondContact O-ND2 2.78Å
452N68.2Low60.7Low104 Ų10483.6 Ų83.656%0.55647%0.474SS*.Hα-helixtrans-74.2-29.5177.1-69.4-28.8000112.7S448 A449 I450S448-N452 PolarHBondContact O-N 2.84Å; S448-N452 VanDerWaalsContact O-N 3.16Å; S448-N452 PolarHBondContact O-ND2 3.05Å; A449-N452 PolarHBondContact O-N 3.01Å; I450-N452 PolarHBondContact O-N 3.16Å
453S62.7Low57.4Low38 Ų3891.4 Ų91.427%0.26652%0.516SS..Hα-helixtrans-69-39.4173.247.60000112.3A449 I450 N455 S456 F457A449-S453 PolarHBondContact O-N 3.36Å; A449-S453 VanDerWaalsContact O-N 3.17Å; I450-S453 WeakPolarHBondContact CA-OG 3.28Å; I450-S453 PolarHBondContact O-N 3.08Å; I450-S453 VanDerWaalsContact O-N 3.09Å; I450-S453 PolarHBondContact O-OG 3.23Å; S453-N455 PolarHBondContact O-N 3.33Å; S453-S456 PolarHBondContact O-N 3.39Å; S453-S456 PolarHBondContact O-OG 3.48Å; S453-F457 WeakPolarHBondContact O-CD2 3.38Å
454D56.9Low54.6Low87 Ų8795.4 Ų95.447%0.46554%0.54SS..Hα-helixtrans-66.4-38-179.3-65.7-26.2000111.9I450 S456 F457I450-D454 PolarHBondContact O-N 3.1Å; D454-S456 PolarHBondContact O-N 2.88Å; D454-S456 VanDerWaalsContact O-N 3.14Å; D454-F457 PolarHBondContact O-N 3.44Å
455N48Very low51.7Low129 Ų12997.9 Ų97.969%0.6955%0.554SS**THydrogen-bonded Turntrans-65.9-13.5179-77.6-27.8000114.9K451 S453K451-N455 PolarHBondContact O-N 2.8Å; K451-N455 PolarHBondContact O-ND2 2.78Å; S453-N455 PolarHBondContact O-N 3.33Å
456S44.4Very low49.1Very low92 Ų92103 Ų10364%0.64358%0.576SS**THydrogen-bonded Turntrans-84.6-11.9173.764.60000113.2S453 D454S453-S456 PolarHBondContact O-N 3.39Å; S453-S456 PolarHBondContact O-OG 3.48Å; D454-S456 PolarHBondContact O-N 2.88Å; D454-S456 VanDerWaalsContact O-N 3.14Å
457F36.1Very low46.4Very low144 Ų144108.5 Ų108.563%0.63261%0.612SS**SBendtrans-95.3108.6167.5-63.4-83000108.9S453 D454S453-F457 WeakPolarHBondContact O-CD2 3.38Å; D454-F457 PolarHBondContact O-N 3.44Å
458G28.4Very low43.6Very low65 Ų65110 Ų11067%0.6762%0.624SS**  trans-55.9140.3-164.500000115.5L460G458-L460 PolarHBondContact O-N 3.28Å
459N23.9Very low40.9Very low155 Ų155113.6 Ų113.683%0.82964%0.637SS**  trans-1590.4176-78.1-8.9000116
460L25.5Very low38.2Very low161 Ų161117.3 Ų117.384%0.84366%0.657SS**  trans-106.6100151.2-77.9165.6000106.8G458 C462G458-L460 PolarHBondContact O-N 3.28Å; L460-C462 PolarHBondContact O-N 2.94Å
461T24.2Very low35.9Very low132 Ų132123.1 Ų123.181%0.8169%0.689SS**  trans-63.998.3178.648.80000110.1
462C27Very low33.5Very low98 Ų98121.4 Ų121.466%0.66270%0.695SS**  trans-95.9108160.852.30000108.9L460 T464L460-C462 PolarHBondContact O-N 2.94Å; C462-T464 VanDerWaalsContact C-N 3.29Å; C462-T464 PolarHBondContact O-N 2.92Å
463D21.7Very low31.8Very low164 Ų164121.3 Ų121.388%0.87770%0.703SS**  trans-63.491.8169.8-79.7-42.8000109.5
464T28.7Very low30.2Very low100 Ų100125.9 Ų125.961%0.61373%0.729SS**  trans-99.477.9166.349.70000108.4C462 F466C462-T464 VanDerWaalsContact C-N 3.29Å; C462-T464 PolarHBondContact O-N 2.92Å; T464-F466 VanDerWaalsContact C-N 3.33Å; T464-F466 PolarHBondContact O-N 3.17Å
465S24.7Very low28.9Very low114 Ų114130.3 Ų130.380%0.79775%0.751SS**  trans-62.696.2166.657.10000109.1
466F29.4Very low28Very low177 Ų177130.3 Ų130.378%0.77675%0.751SS**  trans-56.4135.8163.5-75.8-92.4000108.6T464 H468T464-F466 VanDerWaalsContact C-N 3.33Å; T464-F466 PolarHBondContact O-N 3.17Å; F466-H468 PolarHBondContact O-N 3.27Å
467P26.2Very low27.3Very low116 Ų116133.1 Ų133.175%0.75376%0.756SS**  trans-68.2100.8168.728.8-31.6000107.7I469P467-I469 PolarHBondContact O-N 2.98Å
468H24.8Very low27Very low169 Ų169132.5 Ų132.578%0.78276%0.764SS**  trans-59.9106.3162.7-103.3-70.8000107.8F466 T470F466-H468 PolarHBondContact O-N 3.27Å; H468-T470 HydrophobicContact CB-CG2 4.25Å; H468-T470 PolarHBondContact O-N 2.88Å
469I25.8Very low27.1Very low142 Ų142134.2 Ų134.273%0.72877%0.766SS**  trans-72.184.8162.2-62.1176.6000106.4P467 N471P467-I469 PolarHBondContact O-N 2.98Å; I469-N471 PolarHBondContact O-N 3.4Å; I469-N471 VanDerWaalsContact O-N 3.16Å
470T23.8Very low27.3Very low105 Ų105131.5 Ų131.564%0.64476%0.759SS**  trans-77.587.3166.450.70000108.9H468 S472H468-T470 HydrophobicContact CB-CG2 4.25Å; H468-T470 PolarHBondContact O-N 2.88Å; T470-S472 VanDerWaalsContact C-N 3.25Å; T470-S472 PolarHBondContact O-N 3.38Å
471N27Very low27.6Very low148 Ų148128.7 Ų128.779%0.79175%0.753SS**  trans-75.584.9161.9-89.8-9.4000109.1I469 S473I469-N471 PolarHBondContact O-N 3.4Å; I469-N471 VanDerWaalsContact O-N 3.16Å; N471-S473 PolarHBondContact O-N 3.07Å
472S26.5Very low28Very low109 Ų109129.1 Ų129.176%0.76276%0.755SS**  trans-88.19217457.90000110.9T470T470-S472 VanDerWaalsContact C-N 3.25Å; T470-S472 PolarHBondContact O-N 3.38Å
473S32.5Very low28.1Very low103 Ų103130 Ų13072%0.7276%0.763SS**  trans-154.3104.816355.10000113.2N471N471-S473 PolarHBondContact O-N 3.07Å
474V28.5Very low28.5Very low134 Ų134128 Ų12881%0.81276%0.761SS**  trans62.289.7150-163.40000117.8
475L30.9Very low28.4Very low179 Ų179128.6 Ų128.694%0.93777%0.768SS**  -140.2148.1117-87-173.3000109.1
476N29Very low28.6Very low129 Ų129130.2 Ų130.269%0.6977%0.768SS**  trans-131.5151.6-161.6-154.97.8000109.9
477M28.3Very low28.7Very low151 Ų151128.9 Ų128.974%0.74477%0.774SS**  trans68.8123.4175.3-51.6-68.911900114.3
478T29.2Very low28.7Very low131 Ų131128.2 Ų128.280%0.80477%0.773SS**  cis-143.4-176.1260.80000108
479S31Very low29.1Very low101 Ų101127 Ų12771%0.70678%0.777SS**  cis-154.8-162.214700000112.8
480S29.4Very low29.5Very low98 Ų98125.1 Ų125.169%0.68578%0.783SS**  trans-56.8152.1171.950.20000115.3
481S31.9Very low29.9Very low102 Ų102127.5 Ų127.571%0.71379%0.791SS**  cis-165.2139.749.3-51.30000114.7
482V31.5Very low30.5Very low141 Ų141126.3 Ų126.386%0.85579%0.791SS**  trans31.4122.1155.6-87.10000122.5
483S28.4Very low30.8Very low118 Ų118125.7 Ų125.783%0.82579%0.787SS**  trans-98.5149139.555.70000110.5
484S32.1Very low31.2Very low121 Ų121126 Ų12685%0.84679%0.786SS**  trans-162.3147.8155.557.20000110.3
485C26.4Very low31.5Very low112 Ų112129 Ų12976%0.75779%0.791SS**  trans-134.3149.1176.156.10000111.4
486N27.2Very low31.5Very low149 Ų149126.2 Ų126.280%0.79779%0.787SS**  trans68.9112.9160.5-55.8-11.9000119.4
487T31.6Very low31.8Very low148 Ų148123.7 Ų123.791%0.90879%0.792SS**  trans-147.9162.9131.8-24.20000110.2
488S27.9Very low31.9Very low103 Ų103125.2 Ų125.272%0.7280%0.803SS**  trans-101.3-172.2-147.4-39.10000116.1
489T33Very low32Very low143 Ų143123 Ų12388%0.87781%0.806SS**  trans88.9135.2171.774.90000115.5
490A33.5Very low32.1Very low102 Ų102123.2 Ų123.284%0.84381%0.807SS**  cis-148.6161.9-4.800000112.6
491L32.5Very low32.2Very low155 Ų155123.6 Ų123.681%0.81281%0.81SS**  trans-94.6163.4167.2-97.7165.6000109.2
492P38.9Very low32.3Very low123 Ų123124.5 Ų124.580%0.79981%0.812SS**  -148.3169.351.841.7-20.8000119.2
493S32.6Very low32.4Very low96 Ų96122.7 Ų122.767%0.67181%0.805SS**  trans-93.9-165.2162.259.80000109.7
494P42.4Very low32.6Very low109 Ų109121.6 Ų121.671%0.70880%0.797SS**  cis-135.1179.1-9.541.9-25.9000114.3
495Q34.1Very low32.5Very low197 Ų197122 Ų12292%0.92180%0.795SS**  -172.4167.2129.3-106.6179.11700114
496S31.3Very low32.6Very low121 Ų121123.1 Ų123.185%0.84680%0.798SS**  trans-96.8155.7-161.952.50000115.9
497G34.2Very low32.8Very low77 Ų77121.5 Ų121.579%0.79480%0.798SS**  trans-159.4122.4164.100000113.3
498N30.7Very low32.7Very low182 Ų182120.1 Ų120.197%0.97380%0.795SS**  trans-79.1153174.9-74.6-29.4000111.8
499G32.4Very low33.2Very low84 Ų84120.9 Ų120.987%0.86680%0.798SS**  trans178.2122.6166.700000113.4
500S32.1Very low33Very low106 Ų106122.1 Ų122.174%0.74179%0.793SS**  trans-116.6149.1-171.352.90000113.8
501S30.9Very low32.9Very low107 Ų107125 Ų12575%0.74879%0.793SS**  trans64.8139.8162.470.40000116.6
502T34.8Very low32.8Very low121 Ų121125.5 Ų125.574%0.74279%0.791SS**  cis-162.4148.346.145.20000114.1
503S32.7Very low32.4Very low102 Ų102125.4 Ų125.471%0.71379%0.792SS**  trans50.8123.1142.665.90000124.6
504S33.5Very low32.3Very low95 Ų95127 Ų12766%0.66480%0.799SS**  87.1104.6123.267.70000123.7
505T29.2Very low31.6Very low131 Ų131133.1 Ų133.180%0.80481%0.808SS**  82.4140.9123.358.20000123.2
506V29.4Very low31.5Very low134 Ų134129.7 Ų129.781%0.81280%0.802SS**  trans74.4105165.8-162.80000117.6
507S31.6Very low31.4Very low115 Ų115128.9 Ų128.980%0.80480%0.797SS**  173.9126.6121.9-75.90000111.7
508S28.3Very low31.2Very low119 Ų119131.9 Ų131.983%0.83280%0.799SS**PPolyproline II helixtrans-80.6148.1171.5-48.10000111.5
509P38.6Very low31Very low120 Ų120132.1 Ų132.178%0.77979%0.792SS**PPolyproline II helixtrans-98.1125.6160.232.6-25.8000111.4
510H28.5Very low30.8Very low169 Ų169136.3 Ų136.378%0.78279%0.793SS**PPolyproline II helixtrans-65.9141.1162.6-82.2-93.6000110.4
511I33.2Very low30.7Very low163 Ų163135.9 Ų135.984%0.83679%0.79SS**  trans-119.1114.4154-64.4-179.4000107.5
512H29Very low30.5Very low165 Ų165136.3 Ų136.376%0.76478%0.784SS**  trans-76.6133.4168.4-85.4-90.6000109.7
513S31.2Very low30.2Very low120 Ų120136.1 Ų136.184%0.83979%0.788SS**  trans-133.2130.5152.4-175.50000108.6
514T30.7Very low29.8Very low131 Ų131141 Ų14180%0.80479%0.791SS**  trans-94.3126.8-167.147.60000111.6
515R26.7Very low29.6Very low237 Ų237146.1 Ų146.189%0.89480%0.801SS**  trans-119.3124.9164-163.1178.7-171.2-163.52.8108.8S517R515-S517 PolarHBondContact O-N 3.45Å
516P31.6Very low29.3Very low124 Ų124147.4 Ų147.481%0.80580%0.803SS**  trans-76.1125.2-178.929.8-32.7000110.5
517S30Very low29.3Very low105 Ų105148.7 Ų148.773%0.73481%0.805SS**  trans-95.2112.8172.645.60000110.4R515 K519R515-S517 PolarHBondContact O-N 3.45Å; S517-K519 PolarHBondContact O-N 3.1Å
518V29.9Very low28.9Very low139 Ų139152.3 Ų152.384%0.84281%0.806SS**  trans-75.7118.6164.8176.90000107.8
519K26.5Very low28.9Very low188 Ų188157.5 Ų157.582%0.81781%0.807SS**  trans-86.2134.8168.1-68.5177.2177.8176.10109S517S517-K519 PolarHBondContact O-N 3.1Å
520L28.8Very low28.4Very low171 Ų171160.3 Ų160.390%0.89581%0.807SS**  trans-117.6147.8145.3-125.9101.8000108.9
521S30Very low28.2Very low97 Ų97159.7 Ų159.768%0.67881%0.81SS**  trans-106.8156.2-15847.60000114.6
522D26.6Very low27.9Very low116 Ų116161.5 Ų161.562%0.6281%0.812SS**  trans49.4108155.6-71.5-67.2000119R524D522-R524 IonicContact OD1-CZ 2.77Å; D522-R524 IonicContact OD1-NE 3.01Å; D522-R524 PolarHBondContact OD1-NE 2.86Å; D522-R524 IonicContact OD1-NH2 2.63Å; D522-R524 PolarHBondContact OD1-NH2 2.87Å; D522-R524 VanDerWaalsContact OD1-NH2 3.07Å
523S28.9Very low27.8Very low118 Ų118159.8 Ų159.883%0.82581%0.813SS**  -142.6128.2115.254.40000110.5
524R24.5Very low27.7Very low204 Ų204159.3 Ų159.377%0.7781%0.81SS**  trans-97.2120.5175.8-62.2170.7-142.1152.511.7108.3D522D522-R524 IonicContact OD1-CZ 2.77Å; D522-R524 IonicContact OD1-NE 3.01Å; D522-R524 PolarHBondContact OD1-NE 2.86Å; D522-R524 IonicContact OD1-NH2 2.63Å; D522-R524 PolarHBondContact OD1-NH2 2.87Å; D522-R524 VanDerWaalsContact OD1-NH2 3.07Å
525F28Very low27.8Very low203 Ų203158.8 Ų158.889%0.8981%0.809SS**  trans-130.3114.9154.6-94.9-81.1000109.8N527F525-N527 PolarHBondContact O-N 2.86Å
526L23.2Very low28Very low158 Ų158154.6 Ų154.683%0.82780%0.802SS**  trans-60.1131.8161.6-96.368.8000108.3
527N28.7Very low28Very low161 Ų161154.8 Ų154.886%0.86180%0.804SS**  trans-148.7125.4142.3-120.5-29000113.1F525F525-N527 PolarHBondContact O-N 2.86Å
528K23.8Very low28.1Very low190 Ų190154.9 Ų154.983%0.82680%0.804SS**  trans-79.5124.8170.3-68170.6174.2174.40108.9
529R27.6Very low28.1Very low229 Ų229154.2 Ų154.286%0.86481%0.806SS**  trans-171112146.3-101.8148.6-170.4-135.53.8108.2
530K28.6Very low28.4Very low178 Ų178148.4 Ų148.477%0.77480%0.799SS**  88.1112.176.3-85-166.2-179.2-169.40110.9F532K530-F532 PolarHBondContact O-N 3.28Å
531N24.4Very low28.5Very low156 Ų156146.9 Ų146.983%0.83480%0.799SS**  trans-49.6131.5169.7-56.3-6.2000110.6
532F27.2Very low28.7Very low202 Ų202147.9 Ų147.989%0.88681%0.807SS**  trans-115.293.2161.3-100.1-82.1000108.6K530K530-F532 PolarHBondContact O-N 3.28Å
533T26.7Very low28.9Very low129 Ų129147.2 Ų147.279%0.79181%0.811SS**  trans-83.1110.6158.4480000107.7
534S29.4Very low29.1Very low110 Ų110149.5 Ų149.577%0.76981%0.814SS**PPolyproline II helixtrans-78.2133.3166.642.10000109.9
535P32.2Very low29.4Very low119 Ų119143.8 Ų143.877%0.77382%0.819SS**PPolyproline II helixtrans-85.5144-169.132.9-35.3000113.6
536I31.3Very low29.5Very low149 Ų149138.2 Ų138.276%0.76481%0.81SS**PPolyproline II helixtrans-71.6129.5163.9-61.8159.4000108.3S538I536-S538 PolarHBondContact O-N 3.08Å; I536-S538 VanDerWaalsContact O-N 3.1Å
537P31.1Very low29.9Very low128 Ų128138.3 Ų138.383%0.83181%0.811SS**  trans-78.489.4166.131.5-30.9000109.3
538S33.2Very low30.1Very low107 Ų107135.6 Ų135.675%0.74881%0.805SS**  trans-72.6129.8170.552.70000110.5I536I536-S538 PolarHBondContact O-N 3.08Å; I536-S538 VanDerWaalsContact O-N 3.1Å
539S29.4Very low30.3Very low126 Ų126132.3 Ų132.388%0.88181%0.806SS**  trans-69.3127.7173.9410000111.6
540G31.8Very low30.5Very low65 Ų65124.6 Ų124.667%0.6780%0.798SS**  trans-118.6132167.500000109.7
541P32.5Very low30.5Very low139 Ų139121.1 Ų121.190%0.90380%0.796SS**  trans-80.6136.3177.332.3-32.7000110.8
542S33.8Very low30.7Very low119 Ų119120.8 Ų120.883%0.83279%0.794SS**  trans-130.5113.7165.654.20000110.9
543S30.2Very low30.9Very low101 Ų101120.7 Ų120.771%0.70679%0.793SS**  trans-91.1133.8169.652.60000110.4
544N33Very low30.7Very low167 Ų167119.4 Ų119.489%0.89379%0.789SS**  trans138.7127.4141.7-70.3-20000113.2
545G31Very low30.8Very low84 Ų84123.8 Ų123.887%0.86679%0.794SS**  trans16482.4177.900000110.4
546A30.8Very low30.3Very low85 Ų85123 Ų12370%0.70279%0.791SS**  trans-101.7164.4-175.900000112.9
547N30.8Very low30.1Very low161 Ų161123.6 Ų123.686%0.86180%0.795SS**  trans74.3142.2175.8-50.4-25.6000114.2
548S32.9Very low29.7Very low103 Ų103126.9 Ų126.972%0.7280%0.796SS**  cis-150.3122.42158.30000111.5
549S28.5Very low30.1Very low122 Ų122126.7 Ų126.785%0.85379%0.793SS**  68121.4103.375.80000119.1
550G30.6Very low29.9Very low67 Ų67127.8 Ų127.869%0.69179%0.788SS**  trans152.194.9163.200000111.4
551S29.4Very low29.6Very low105 Ų105136.1 Ų136.173%0.73480%0.799SS**  52.1119.785.171.10000113.3
552D28.4Very low29.2Very low149 Ų149132.5 Ų132.580%0.79779%0.787SS**  cis-151.4-172.24.6-77.1-38.1000107.5
553K30.9Very low28.9Very low200 Ų200137.1 Ų137.187%0.8779%0.792SS**  cis-148.6162.523.2-69.1174.2178.4173.30112.2
554S24.3Very low28.5Very low101 Ų101140.3 Ų140.371%0.70680%0.796SS**  trans-86.2153172.3540000113.5
555K29.7Very low28.1Very low202 Ų202144.5 Ų144.588%0.87880%0.799SS**  177.7143.2111.6-95.6173.5-175.9-177.60113.4
556S22.9Very low27.9Very low102 Ų102144.9 Ų144.971%0.71379%0.789SS**  trans-87.8161.3168.550.20000111.9
557I27.2Very low27.7Very low162 Ų162147.2 Ų147.283%0.83179%0.789SS**  trans173.9142.6132.9-89.4154.4000110.1
558F23.1Very low27.6Very low197 Ų197144.9 Ų144.986%0.86478%0.783SS**  trans-90.6-162177.9-71.4-94.7000111.9
559P39.8Very low27.3Very low104 Ų104146.7 Ų146.768%0.67579%0.785SS**  -126-173.6-94.340.3-21.9000113.4
560L26Very low27.3Very low149 Ų149146.3 Ų146.378%0.7878%0.78SS**  trans159136.7133.2-87.1160.7000115.7
561R25.4Very low27Very low239 Ų239148.5 Ų148.590%0.90278%0.784SS**  trans56.3149.6148.8-68.9175.8175.4-166-2.4120.2
562G25.3Very low27Very low63 Ų63149.4 Ų149.465%0.64979%0.79SS**  cis-149173.9-2.400000109.8
563F26.4Very low26.8Very low216 Ų216153.7 Ų153.795%0.94780%0.796SS**  -151.1166.558.7-99-93.1000114.1
564H22.5Very low26.6Very low169 Ų169151.9 Ų151.978%0.78279%0.794SS**  trans-69.9148.1173.1-110.4-111.4000113
565W24.9Very low26.6Very low254 Ų254151.9 Ų151.996%0.96279%0.794SS**  -152.8162.5111.1-119.2-2000113.6
566S26.7Very low26.5Very low92 Ų92148.5 Ų148.564%0.64379%0.79SS**  trans-101.7146.6-163.342.50000113.4
567N25.5Very low26.7Very low134 Ų134147.8 Ų147.872%0.71779%0.785SS**  trans-61.9147.4168.6-1540.6000110.5N569N567-N569 PolarHBondContact OD1-N 2.95Å
568P29.4Very low26.7Very low113 Ų113146.1 Ų146.173%0.73478%0.782SS**  -145.815094.637.1-21.2000116.1
569N26.5Very low26.8Very low140 Ų140147.5 Ų147.575%0.74978%0.782SS**  trans-61.7152.6162.9-86.8-22.3000111.6N567N567-N569 PolarHBondContact OD1-N 2.95Å
570P29Very low26.3Very low115 Ų115150.8 Ų150.875%0.74779%0.785SS**  -143.7140.2100.835.3-20000116.5
571S24.6Very low26.5Very low112 Ų112149.7 Ų149.778%0.78379%0.788SS**  trans55.798.2134.3-53.30000121.1
572S29.4Very low26.5Very low124 Ų124149.8 Ų149.887%0.86779%0.788SS**  -132.6129.1129.862.80000109.7
573R24.1Very low26.6Very low240 Ų240155.6 Ų155.691%0.90680%0.803SS**  trans-102.4120.5179.2-68178.4-178.2172.60.4108.6
574I26.3Very low26.8Very low162 Ų162148.7 Ų148.783%0.83179%0.793SS**  trans-123.5119.5151.3-62.8-178.7000106.2
575S24.3Very low27.1Very low101 Ų101148.4 Ų148.471%0.70680%0.797SS**  trans-119.494.3-171.1166.60000109.6
576T26.7Very low27.2Very low130 Ų130141.2 Ų141.280%0.79879%0.786SS**  trans-99.978.5168.139.20000109.7V578T576-V578 PolarHBondContact O-N 3.38Å
577S27.6Very low27.4Very low87 Ų87146.2 Ų146.261%0.60880%0.799SS**  trans-77102.9175.260.90000110.8R579S577-R579 PolarHBondContact O-N 2.71Å; S577-R579 VanDerWaalsContact O-N 3.11Å
578V27.6Very low27.4Very low128 Ų128149.8 Ų149.878%0.77681%0.808SS**  trans-71.1104163.9-179.80000107.9T576 F580T576-V578 PolarHBondContact O-N 3.38Å; V578-F580 PolarHBondContact O-N 3.25Å
579R25.5Very low27.4Very low226 Ų226149.9 Ų149.985%0.85381%0.811SS**  trans-73.4114.5174.9-79.6-178.3175.7172.3-0.7109.8S577S577-R579 PolarHBondContact O-N 2.71Å; S577-R579 VanDerWaalsContact O-N 3.11Å
580F28.8Very low27.3Very low172 Ų172151.7 Ų151.775%0.75482%0.821SS**  trans-72.9142.3145.2-66.1-84.7000108.5V578 R582V578-F580 PolarHBondContact O-N 3.25Å; F580-R582 PolarHBondContact O-N 3.02Å
581P29.2Very low27.4Very low127 Ų127149.6 Ų149.683%0.82582%0.82SS**  trans-67.5109.5-177.326.2-33.1000110.7L583P581-L583 PolarHBondContact O-N 2.9Å
582R27.1Very low27.4Very low241 Ų241150.6 Ų150.691%0.90983%0.827SS**  trans-71.1117.7163.8-78.4-174.6173.9-175.2-1.5108.5F580 G584F580-R582 PolarHBondContact O-N 3.02Å; R582-G584 PolarHBondContact O-N 2.91Å
583L26.5Very low27.3Very low184 Ų184148.6 Ų148.696%0.96382%0.818SS**  trans-61.2100.1158.8-80.7154.8000108.4P581P581-L583 PolarHBondContact O-N 2.9Å
584G30.1Very low27.4Very low72 Ų72143.8 Ų143.874%0.74282%0.815SS**  trans-87133.417400000110.5R582R582-G584 PolarHBondContact O-N 2.91Å
585N28.5Very low27.5Very low163 Ų163143.6 Ų143.687%0.87282%0.816SS**  trans-97.1136.7-177.7-121.20.5000112.1
586S28.2Very low27.6Very low102 Ų102143.4 Ų143.471%0.71382%0.815SS**  trans55.5111.3161.169.60000120
587E29.8Very low27.6Very low197 Ų197144.9 Ų144.992%0.92182%0.817SS**  -111.9163.5120.7-73.9-157.6135.600109.9
588K25.4Very low27.7Very low209 Ų209150.6 Ų150.691%0.90983%0.831SS**  trans-89.9124.6-158.9-61.3163.4-178.8168.80112.6
589S29.9Very low27.7Very low115 Ų115149.7 Ų149.780%0.80483%0.826SS**  trans-146142.2150.860.70000110.4
590N24.6Very low27.9Very low179 Ų179143.3 Ų143.396%0.95782%0.815SS**  trans-81.9119.4-171.4-68-34.2000111
591G30.5Very low28Very low70 Ų70140.6 Ų140.672%0.72281%0.808SS**  trans-169.9113.6172.300000110.8A593G591-A593 PolarHBondContact O-N 2.92Å
592S25.4Very low27.8Very low134 Ų134141.1 Ų141.194%0.93780%0.803SS**  trans-76.8104.2-175.4-170.20000111.3
593A26.9Very low28.2Very low82 Ų82133.5 Ų133.568%0.67879%0.787SS**  trans-144.3112.1166.300000109.6G591 N595G591-A593 PolarHBondContact O-N 2.92Å; A593-N595 PolarHBondContact O-N 2.88Å; A593-N595 VanDerWaalsContact O-N 3.15Å
594T26.7Very low29Very low138 Ų138129 Ų12985%0.84776%0.757SS**  trans-71104.5177.547.50000110.2S596T594-S596 PolarHBondContact O-N 2.96Å
595N27.5Very low29.3Very low159 Ų159129.2 Ų129.285%0.8574%0.741SS**  trans-70.696.9174.9-89.2-30.9000110.9A593A593-N595 PolarHBondContact O-N 2.88Å; A593-N595 VanDerWaalsContact O-N 3.15Å
596S27.6Very low30.3Very low96 Ų96125.4 Ų125.467%0.67173%0.727SS**  trans-55.9133.2165.1-174.80000110.3T594 K598T594-S596 PolarHBondContact O-N 2.96Å; S596-K598 PolarHBondContact O-N 2.87Å
597L26.8Very low31.6Very low161 Ų161126.1 Ų126.184%0.84372%0.719SS**  trans-61.5119.9165-82.386.2000107.2T599L597-T599 PolarHBondContact O-N 2.88Å
598K29.9Very low33.2Very low207 Ų207117.4 Ų117.490%0.968%0.679SS**  trans-60.4106-179.2-72.1-177.3177.8179.20109.7S596S596-K598 PolarHBondContact O-N 2.87Å
599T27Very low35.1Very low110 Ų110114.5 Ų114.568%0.67566%0.662SS**  trans-52.2153.6166.351.20000110.4L597 N601L597-T599 PolarHBondContact O-N 2.88Å; T599-N601 PolarHBondContact O-N 3.06Å
600C30.1Very low37.2Very low92 Ų92109.9 Ų109.962%0.62263%0.628SS**  trans-42.9138.1169.2-53.50000110.7L602C600-L602 PolarHBondContact O-N 2.91Å
601N30.5Very low39.5Very low115 Ų115101.5 Ų101.562%0.61558%0.583SS**  trans-57.8103.6179.9-92.5-40.7000110T599 S603 R604T599-N601 PolarHBondContact O-N 3.06Å; N601-S603 PolarHBondContact O-N 3.04Å; N601-R604 HydrophobicContact CB-CG 4.46Å; N601-R604 PolarHBondContact O-N 2.74Å
602L25.4Very low41.3Very low137 Ų13799.7 Ų99.772%0.71756%0.556SS**Hα-helixtrans-55.9-30.6-174.2-127.477000112.4C600 R604 L605C600-L602 PolarHBondContact O-N 2.91Å; L602-R604 VanDerWaalsContact C-N 3.32Å; L602-R604 PolarHBondContact O-N 2.95Å; L602-L605 PolarHBondContact O-N 2.7Å
603S34.9Very low43.3Very low81 Ų8195.6 Ų95.657%0.56653%0.528SS*.Hα-helixtrans-63.4-28.6176.352.70000114.6N601 S606N601-S603 PolarHBondContact O-N 3.04Å; S603-S606 PolarHBondContact O-OG 2.93Å
604R43Very low45.3Very low91 Ų9192.8 Ų92.834%0.34350%0.501SS..Hα-helixtrans-76.2-31.2176.3-76.3-174.3173.8-163.7-3.3112.2R284 E299 N601 L602 E607R284-R604 VanDerWaalsContact NH2-NH2 3.19Å; E299-R604 IonicContact OE1-NH2 2.72Å; E299-R604 PolarHBondContact OE1-NH2 3.38Å; E299-R604 IonicContact OE2-CZ 3.95Å; E299-R604 IonicContact OE2-NH1 3.48Å; E299-R604 PolarHBondContact OE2-NH1 3.34Å; E299-R604 IonicContact OE2-NH2 3.81Å; E299-R604 PolarHBondContact OE2-NH2 3.13Å; N601-R604 HydrophobicContact CB-CG 4.46Å; N601-R604 PolarHBondContact O-N 2.74Å; L602-R604 VanDerWaalsContact C-N 3.32Å; L602-R604 PolarHBondContact O-N 2.95Å; R604-E607 PolarHBondContact O-N 3.07Å
605L37.7Very low47.1Very low76 Ų7688.1 Ų88.140%0.39848%0.476SS..Hα-helixtrans-69.5-33.4-177.1-73.1169.9000112.3L602 E607 V608 R609L602-L605 PolarHBondContact O-N 2.7Å; L605-E607 PolarHBondContact O-N 2.74Å; L605-V608 PolarHBondContact O-N 3.14Å; L605-R609 PolarHBondContact O-N 3.24Å
606S47.7Very low49Very low82 Ų8284 Ų8457%0.57345%0.452SS*.Hα-helixtrans-61.9-39174.538.10000113S603 V608 R609S603-S606 PolarHBondContact O-OG 2.93Å; S606-V608 VanDerWaalsContact C-N 3.3Å; S606-V608 PolarHBondContact O-N 3.15Å; S606-R609 PolarHBondContact O-N 2.93Å
607E56.5Low50.7Low117 Ų11787.6 Ų87.655%0.54746%0.458SS..Hα-helixtrans-66.5-29-179.1-66.3-176.7171.300113.8R345 R604 L605 W610R345-E607 IonicContact CZ-OE2 3.7Å; R345-E607 IonicContact NH2-OE2 3.62Å; R345-E607 PolarHBondContact NH2-OE2 3.43Å; R604-E607 PolarHBondContact O-N 3.07Å; L605-E607 PolarHBondContact O-N 2.74Å; E607-W610 VanDerWaalsContact O-CD1 3.29Å; E607-W610 PolarHBondContact O-NE1 3.21Å
608V64.2Low53.2Low15 Ų1585.2 Ų85.29%0.09145%0.446CS..Hα-helixtrans-103.2-4.2179.9-72.50000113.7R345 L605 S606 W610 M611 L612R345-V608 VanDerWaalsContact CZ-CG1 3.49Å; L605-V608 PolarHBondContact O-N 3.14Å; S606-V608 VanDerWaalsContact C-N 3.3Å; S606-V608 PolarHBondContact O-N 3.15Å; V608-W610 PolarHBondContact O-N 3.43Å; V608-W610 VanDerWaalsContact O-N 3.14Å; V608-M611 HydrophobicContact CB-CE 3.89Å; V608-M611 HydrophobicContact CG1-CE 3.66Å; V608-M611 WeakPolarHBondContact O-CA 3.44Å; V608-M611 WeakPolarHBondContact O-CB 3.48Å; V608-M611 PolarHBondContact O-N 2.84Å; V608-L612 HydrophobicContact CB-CD1 4.43Å; V608-L612 HydrophobicContact CB-CG 4.3Å; V608-L612 HydrophobicContact CG2-CD1 3.86Å; V608-L612 HydrophobicContact CG2-CG 4.26Å; V608-L612 WeakPolarHBondContact O-CG 3.25Å; V608-L612 PolarHBondContact O-N 2.79Å
609R65.3Low55.7Low147 Ų14775.5 Ų75.556%0.55540%0.404SS*.Hα-helixtrans-54.8-40.4-173.7-169.8173.5-168.5158.211.6112.7D259 L605 S606 L612 S613D259-R609 IonicContact OD2-NE 3.88Å; D259-R609 IonicContact OD2-NH2 3.63Å; D259-R609 PolarHBondContact OD2-NH2 3.08Å; L605-R609 PolarHBondContact O-N 3.24Å; S606-R609 PolarHBondContact O-N 2.93Å; R609-L612 PolarHBondContact O-N 3.26Å; R609-S613 WeakPolarHBondContact O-CB 3.49Å; R609-S613 PolarHBondContact O-N 2.82Å
610W73.4Confident58.6Low19 Ų1974.9 Ų74.97%0.07239%0.392CS..Hα-helixtrans-59.1-47175.168.6-91.9000111.6I450 E607 V608 L612 S613 I614 P623 L624I450-W610 HydrophobicContact CD1-CD2 4.01Å; I450-W610 HydrophobicContact CD1-CE3 4.46Å; I450-W610 HydrophobicContact CD1-CH2 4.22Å; I450-W610 HydrophobicContact CD1-CZ2 3.72Å; I450-W610 HydrophobicContact CG1-CD2 3.86Å; I450-W610 HydrophobicContact CG1-CE3 4.09Å; I450-W610 HydrophobicContact CG1-CG 4.3Å; I450-W610 HydrophobicContact CG1-CZ2 4.38Å; I450-W610 HydrophobicContact CG1-CZ3 4.47Å; I450-W610 HydrophobicContact CG2-CB 4.11Å; I450-W610 HydrophobicContact CG2-CD2 4.22Å; I450-W610 HydrophobicContact CG2-CG 3.75Å; E607-W610 VanDerWaalsContact O-CD1 3.29Å; E607-W610 PolarHBondContact O-NE1 3.21Å; V608-W610 PolarHBondContact O-N 3.43Å; V608-W610 VanDerWaalsContact O-N 3.14Å; W610-L612 VanDerWaalsContact C-N 3.32Å; W610-L612 PolarHBondContact O-N 2.74Å; W610-S613 PolarHBondContact O-N 3.22Å; W610-S613 VanDerWaalsContact O-N 3.09Å; W610-S613 PolarHBondContact O-OG 3.45Å; W610-I614 HydrophobicContact CE3-CD1 3.93Å; W610-I614 HydrophobicContact CZ3-CD1 3.99Å; W610-P623 HydrophobicContact CE3-CG 4.42Å; W610-P623 HydrophobicContact CH2-CB 3.73Å; W610-P623 HydrophobicContact CH2-CG 4.34Å; W610-P623 HydrophobicContact CZ3-CB 3.6Å; W610-P623 HydrophobicContact CZ3-CG 3.85Å; W610-L624 HydrophobicContact CH2-CD2 3.8Å; W610-L624 HydrophobicContact CZ3-CD2 3.84Å; W610-L624 HydrophobicContact CZ3-CG 4.14Å
611M72Confident61.3Low3 Ų372 Ų722%0.01538%0.377CS..Hα-helixtrans-63-39.2177.9173.6178.974.100111.5F308 V608 S613 L624F308-M611 HydrophobicContact CD1-CG 4.26Å; F308-M611 HydrophobicContact CD1-SD 3.83Å; F308-M611 HydrophobicContact CE1-CG 3.74Å; F308-M611 HydrophobicContact CE1-SD 3.95Å; F308-M611 HydrophobicContact CZ-CG 4.37Å; V608-M611 HydrophobicContact CB-CE 3.89Å; V608-M611 HydrophobicContact CG1-CE 3.66Å; V608-M611 WeakPolarHBondContact O-CA 3.44Å; V608-M611 WeakPolarHBondContact O-CB 3.48Å; V608-M611 PolarHBondContact O-N 2.84Å; M611-S613 PolarHBondContact O-N 3.34Å; M611-L624 HydrophobicContact CB-CD2 4.36Å; M611-L624 HydrophobicContact CG-CD1 3.98Å; M611-L624 HydrophobicContact CG-CD2 3.74Å; M611-L624 HydrophobicContact CG-CG 4.48Å; M611-L624 HydrophobicContact SD-CD2 4.04Å
612L69.1Low64Low31 Ų3167 Ų6716%0.16235%0.352CS..Hα-helixtrans-70.9-17.4177.3-60.6-179000112.8I198 I263 V608 R609 W610I198-L612 HydrophobicContact CD1-CD2 3.95Å; I263-L612 VanDerWaalsContact CD1-CA 3.49Å; I263-L612 HydrophobicContact CD1-CB 3.63Å; I263-L612 HydrophobicContact CD1-CD2 3.42Å; I263-L612 VanDerWaalsContact CD1-CD2 3.42Å; I263-L612 HydrophobicContact CD1-CG 4.05Å; I263-L612 VanDerWaalsContact CD1-O 3.31Å; I263-L612 WeakPolarHBondContact CD1-O 3.41Å; I263-L612 WeakPolarHBondContact CG1-O 3.3Å; V608-L612 HydrophobicContact CB-CD1 4.43Å; V608-L612 HydrophobicContact CB-CG 4.3Å; V608-L612 HydrophobicContact CG2-CD1 3.86Å; V608-L612 HydrophobicContact CG2-CG 4.26Å; V608-L612 WeakPolarHBondContact O-CG 3.25Å; V608-L612 PolarHBondContact O-N 2.79Å; R609-L612 PolarHBondContact O-N 3.26Å; W610-L612 VanDerWaalsContact C-N 3.32Å; W610-L612 PolarHBondContact O-N 2.74Å
613S68.3Low66.9Low49 Ų4961 Ų6134%0.34332%0.321SS..THydrogen-bonded Turntrans-91.2-9.1-178.873.70000115R609 W610 M611 A615R609-S613 WeakPolarHBondContact O-CB 3.49Å; R609-S613 PolarHBondContact O-N 2.82Å; W610-S613 PolarHBondContact O-N 3.22Å; W610-S613 VanDerWaalsContact O-N 3.09Å; W610-S613 PolarHBondContact O-OG 3.45Å; M611-S613 PolarHBondContact O-N 3.34Å; S613-A615 PolarHBondContact O-N 2.81Å
614I68.6Low69.5Low23 Ų2357.1 Ų57.112%0.11829%0.294CS..  trans-80.8105.2-174.1-66161.7000110.4W610 N618 I619 L624W610-I614 HydrophobicContact CE3-CD1 3.93Å; W610-I614 HydrophobicContact CZ3-CD1 3.99Å; I614-N618 HydrophobicContact CG2-CB 4.35Å; I614-I619 HydrophobicContact CG2-CG1 3.86Å; I614-L624 HydrophobicContact CB-CD1 4.31Å; I614-L624 HydrophobicContact CD1-CD1 3.65Å; I614-L624 HydrophobicContact CD1-CG 3.99Å; I614-L624 HydrophobicContact CG2-CD1 4.47Å
615A64.7Low71.9Confident39 Ų3953 Ų5332%0.32228%0.279SS..  trans-64.9152.7170.400000112.1S613 H617 N618 I619S613-A615 PolarHBondContact O-N 2.81Å; A615-H617 PolarHBondContact O-N 3.07Å; A615-N618 WeakPolarHBondContact O-CA 3.5Å; A615-N618 WeakPolarHBondContact O-CB 3.4Å; A615-N618 PolarHBondContact O-N 3.03Å; A615-I619 PolarHBondContact O-N 2.83Å
616E65.5Low74.5Confident73 Ų7349.3 Ų49.334%0.34126%0.26SS..G310 helixtrans-50.7-50-170.5-167179179.100114.4L266 R310 N618 I619L266-E616 HydrophobicContact CD2-CB 3.38Å; L266-E616 HydrophobicContact CD2-CG 3.74Å; R310-E616 IonicContact NH1-OE1 3.65Å; E616-N618 PolarHBondContact O-N 3.47Å; E616-I619 HydrophobicContact CG-CD1 4.41Å; E616-I619 WeakPolarHBondContact O-CB 3.34Å; E616-I619 WeakPolarHBondContact O-CG1 3.47Å; E616-I619 PolarHBondContact O-N 2.95Å
617H64.7Low76.6Confident171 Ų17151.5 Ų51.579%0.79226%0.255SS*.G310 helixtrans-64-13.5-178-54.7-42.3000113.5A615A615-H617 PolarHBondContact O-N 3.07Å
618N78.1Confident78.3Confident111 Ų11149.3 Ų49.359%0.59425%0.246SC*.G310 helixtrans-105.31.2179-64-19000113.3I614 A615 E616 F620I614-N618 HydrophobicContact CG2-CB 4.35Å; A615-N618 WeakPolarHBondContact O-CA 3.5Å; A615-N618 WeakPolarHBondContact O-CB 3.4Å; A615-N618 PolarHBondContact O-N 3.03Å; E616-N618 PolarHBondContact O-N 3.47Å; N618-F620 VanDerWaalsContact C-N 3.29Å; N618-F620 PolarHBondContact O-N 3.26Å
619I83.5Confident79.6Confident3 Ų353 Ų532%0.01527%0.273CS..SBendtrans-60-42.2175.9-70.9173.9000110.9L266 R310 I614 A615 E616 G621 S622 C625L266-I619 HydrophobicContact CD1-CD1 3.83Å; L266-I619 HydrophobicContact CD2-CD1 3.6Å; L266-I619 HydrophobicContact CG-CD1 4.17Å; R310-I619 HydrophobicContact CB-CG2 4.06Å; I614-I619 HydrophobicContact CG2-CG1 3.86Å; A615-I619 PolarHBondContact O-N 2.83Å; E616-I619 HydrophobicContact CG-CD1 4.41Å; E616-I619 WeakPolarHBondContact O-CB 3.34Å; E616-I619 WeakPolarHBondContact O-CG1 3.47Å; E616-I619 PolarHBondContact O-N 2.95Å; I619-G621 PolarHBondContact O-N 2.89Å; I619-S622 VanDerWaalsContact O-CB 3.29Å; I619-S622 WeakPolarHBondContact O-CB 3.38Å; I619-S622 PolarHBondContact O-N 2.86Å; I619-S622 PolarHBondContact O-OG 3.02Å; I619-C625 HydrophobicContact CG2-CB 3.58Å; I619-C625 WeakPolarHBondContact O-CB 3.39Å
620F88.1Confident80.8Confident97 Ų9747.5 Ų47.543%0.42526%0.255SS..BIsolated β-bridgetrans-74.8114.5-177.7-173.9-96.8000111.7Y312 N618 R627Y312-F620 AromaticContact CD2-CE2 3.89Å; Y312-F620 HydrophobicContact CD2-CE2 3.89Å; Y312-F620 HydrophobicContact CE1-CE2 4.46Å; Y312-F620 AromaticContact CE2-CE2 3.46Å; Y312-F620 HydrophobicContact CE2-CE2 3.46Å; Y312-F620 VanDerWaalsContact CE2-CE2 3.46Å; Y312-F620 AromaticContact CE2-CZ 3.7Å; Y312-F620 HydrophobicContact CE2-CZ 3.7Å; Y312-F620 AromaticContact CZ-CE2 3.79Å; Y312-F620 AromaticContact CZ-CZ 3.78Å; N618-F620 VanDerWaalsContact C-N 3.29Å; N618-F620 PolarHBondContact O-N 3.26Å; F620-R627 HydrophobicContact CD1-CG 4.36Å; F620-R627 HydrophobicContact CE1-CG 3.8Å; F620-R627 HydrophobicContact CZ-CG 4.05Å
621G85.5Confident81.8Confident31 Ų3147 Ų4732%0.3225%0.253SS..THydrogen-bonded Turntrans92.34.7-167.900000114.5I619 C625I619-G621 PolarHBondContact O-N 2.89Å; G621-C625 PolarHBondContact N-O 2.78Å
622S87.4Confident82.9Confident11 Ų1147.5 Ų47.58%0.07726%0.257CS..BIsolated β-bridgetrans-91.3167.5167.478.80000111.4I619 L624 C625 P626I619-S622 VanDerWaalsContact O-CB 3.29Å; I619-S622 WeakPolarHBondContact O-CB 3.38Å; I619-S622 PolarHBondContact O-N 2.86Å; I619-S622 PolarHBondContact O-OG 3.02Å; S622-L624 PolarHBondContact O-N 2.9Å; S622-L624 PolarHBondContact OG-N 3.45Å; S622-C625 CarbonylContact O-C 3.47Å; S622-C625 PolarHBondContact O-N 3.46Å; S622-P626 VanDerWaalsContact O-CA 3.24Å; S622-P626 WeakPolarHBondContact O-CA 3.49Å; S622-P626 WeakPolarHBondContact O-CD 3.43Å
623P86.4Confident84.2Confident11 Ų1149.1 Ų49.17%0.07127%0.265CS..THydrogen-bonded Turntrans-51.5-22169.5-3239.1000116.3A346 V347 I446 A449 I450 W610A346-P623 HydrophobicContact CB-CB 3.88Å; V347-P623 PolarHBondContact N-O 3.49Å; V347-P623 VanDerWaalsContact N-O 3.17Å; I446-P623 HydrophobicContact CD1-CB 3.81Å; I446-P623 HydrophobicContact CD1-CG 4.21Å; I446-P623 HydrophobicContact CG2-CB 4.2Å; I446-P623 HydrophobicContact CG2-CG 4.42Å; A449-P623 HydrophobicContact CB-CG 4.14Å; I450-P623 HydrophobicContact CG1-CG 4.01Å; W610-P623 HydrophobicContact CE3-CG 4.42Å; W610-P623 HydrophobicContact CH2-CB 3.73Å; W610-P623 HydrophobicContact CH2-CG 4.34Å; W610-P623 HydrophobicContact CZ3-CB 3.6Å; W610-P623 HydrophobicContact CZ3-CG 3.85Å
624L90.1Very high85.5Confident0 Ų047.5 Ų47.50%025%0.252CS..THydrogen-bonded Turntrans-83.5-21.5-179.6-49.8176.6000112.8F308 M309 R310 W610 M611 I614 S622F308-L624 HydrophobicContact CE1-CD1 4.36Å; F308-L624 HydrophobicContact CE2-CD1 3.8Å; F308-L624 HydrophobicContact CZ-CD1 3.67Å; F308-L624 WeakPolarHBondContact O-CD2 3.23Å; M309-L624 WeakPolarHBondContact CA-O 3.47Å; M309-L624 WeakPolarHBondContact CB-O 3Å; R310-L624 PolarHBondContact N-O 3Å; W610-L624 HydrophobicContact CH2-CD2 3.8Å; W610-L624 HydrophobicContact CZ3-CD2 3.84Å; W610-L624 HydrophobicContact CZ3-CG 4.14Å; M611-L624 HydrophobicContact CB-CD2 4.36Å; M611-L624 HydrophobicContact CG-CD1 3.98Å; M611-L624 HydrophobicContact CG-CD2 3.74Å; M611-L624 HydrophobicContact CG-CG 4.48Å; M611-L624 HydrophobicContact SD-CD2 4.04Å; I614-L624 HydrophobicContact CB-CD1 4.31Å; I614-L624 HydrophobicContact CD1-CD1 3.65Å; I614-L624 HydrophobicContact CD1-CG 3.99Å; I614-L624 HydrophobicContact CG2-CD1 4.47Å; S622-L624 PolarHBondContact O-N 2.9Å; S622-L624 PolarHBondContact OG-N 3.45Å
625C93.2Very high86.7Confident3 Ų354.2 Ų54.22%0.0228%0.283CS..BIsolated β-bridgetrans-157.171.5173.7-1710000109.1R310 S311 I619 G621 S622R310-C625 HydrophobicContact CB-CB 4.13Å; R310-C625 PolarHBondContact O-SG 3.36Å; R310-C625 VanDerWaalsContact O-SG 3.33Å; S311-C625 PolarHBondContact O-SG 2.85Å; I619-C625 HydrophobicContact CG2-CB 3.58Å; I619-C625 WeakPolarHBondContact O-CB 3.39Å; G621-C625 PolarHBondContact N-O 2.78Å; S622-C625 CarbonylContact O-C 3.47Å; S622-C625 PolarHBondContact O-N 3.46Å
626P93Very high88.1Confident0 Ų053.9 Ų53.90%028%0.278CS..  trans-65.4156.3-176.323.8-31.8000110V347 R350 S622 D630 V631V347-P626 HydrophobicContact CB-CG 3.67Å; V347-P626 HydrophobicContact CG1-CG 3.71Å; R350-P626 VanDerWaalsContact CZ-O 3.23Å; R350-P626 PolarHBondContact NH1-O 2.91Å; R350-P626 PolarHBondContact NH2-O 3.38Å; S622-P626 VanDerWaalsContact O-CA 3.24Å; S622-P626 WeakPolarHBondContact O-CA 3.49Å; S622-P626 WeakPolarHBondContact O-CD 3.43Å; P626-D630 HydrophobicContact CB-CB 3.83Å; P626-V631 HydrophobicContact CB-CG1 3.92Å; P626-V631 HydrophobicContact CB-CG2 4.48Å; P626-V631 HydrophobicContact CG-CG1 3.65Å; P626-V631 HydrophobicContact CG-CG2 4.07Å
627R92Very high89.3Confident127 Ų12754 Ų5448%0.47928%0.28SS..  trans-68.5169.8172.2-56.6166.2179.3178.31.9109.9R350 F620 S629 D630R350-R627 PolarHBondContact NH1-O 2.91Å; F620-R627 HydrophobicContact CD1-CG 4.36Å; F620-R627 HydrophobicContact CE1-CG 3.8Å; F620-R627 HydrophobicContact CZ-CG 4.05Å; R627-S629 PolarHBondContact O-N 2.57Å; R627-D630 HydrophobicContact CB-CB 4.39Å; R627-D630 WeakPolarHBondContact CB-OD2 3.48Å; R627-D630 VanDerWaalsContact CG-OD2 3.32Å; R627-D630 WeakPolarHBondContact CG-OD2 3.09Å; R627-D630 PolarHBondContact N-OD2 3Å; R627-D630 WeakPolarHBondContact O-CB 3.48Å; R627-D630 PolarHBondContact O-N 2.75Å
628I91.8Very high90.6Very high71 Ų7146.3 Ų46.336%0.36425%0.246SC..THydrogen-bonded Turntrans-68.5-18.5177.8-152.6161.1000113Y312 M633Y312-I628 HydrophobicContact CE2-CB 4.4Å; I628-M633 HydrophobicContact CD1-CE 3.66Å; I628-M633 HydrophobicContact CG1-CE 3.28Å
629S91.1Very high91.3Very high93 Ų9343.7 Ų43.765%0.6524%0.235SC*.THydrogen-bonded Turntrans-83.7-15.9174.248.50000114.7R627R627-S629 PolarHBondContact O-N 2.57Å
630D91.1Very high91.6Very high31 Ų3144.9 Ų44.917%0.16624%0.242CC..THydrogen-bonded Turntrans-94.1-30.5-162.2-65.10.7000111F445 P626 R627F445-D630 WeakPolarHBondContact CD1-O 3.43Å; F445-D630 VanDerWaalsContact CD2-O 3.24Å; F445-D630 WeakPolarHBondContact CD2-O 3.42Å; F445-D630 HydrophobicContact CE1-CB 3.76Å; F445-D630 WeakPolarHBondContact CE1-O 3.39Å; F445-D630 HydrophobicContact CE2-CB 4.14Å; F445-D630 WeakPolarHBondContact CG-O 3.11Å; F445-D630 HydrophobicContact CZ-CB 3.51Å; P626-D630 HydrophobicContact CB-CB 3.83Å; R627-D630 HydrophobicContact CB-CB 4.39Å; R627-D630 WeakPolarHBondContact CB-OD2 3.48Å; R627-D630 VanDerWaalsContact CG-OD2 3.32Å; R627-D630 WeakPolarHBondContact CG-OD2 3.09Å; R627-D630 PolarHBondContact N-OD2 3Å; R627-D630 WeakPolarHBondContact O-CB 3.48Å; R627-D630 PolarHBondContact O-N 2.75Å
631V93.9Very high91.6Very high8 Ų846.6 Ų46.65%0.04825%0.246CC..SBendtrans-115.5154.3175.1-700000110.8V347 R350 F445 P626V347-V631 HydrophobicContact CG1-CG1 4.5Å; V347-V631 HydrophobicContact CG1-CG2 4.42Å; V347-V631 WeakPolarHBondContact O-CG1 3.28Å; R350-V631 HydrophobicContact CG-CG2 4.23Å; F445-V631 HydrophobicContact CD1-CG1 4.31Å; P626-V631 HydrophobicContact CB-CG1 3.92Å; P626-V631 HydrophobicContact CB-CG2 4.48Å; P626-V631 HydrophobicContact CG-CG1 3.65Å; P626-V631 HydrophobicContact CG-CG2 4.07Å
632P95.5Very high91.5Very high15 Ų1545.2 Ų45.210%0.09723%0.231CC..  trans-46.5143.9168-28.733.8000113.2I348 C349 R350 I438 Q441I348-P632 WeakPolarHBondContact O-CD 3.47Å; C349-P632 PolarHBondContact SG-O 2.71Å; C349-P632 VanDerWaalsContact SG-O 3.33Å; R350-P632 PolarHBondContact N-O 3.41Å; I438-P632 HydrophobicContact CG2-CB 3.92Å; I438-P632 HydrophobicContact CG2-CG 4.38Å; Q441-P632 HydrophobicContact CB-CG 3.89Å; Q441-P632 HydrophobicContact CG-CG 3.81Å
633M95.2Very high91.3Very high64 Ų6444.8 Ų44.832%0.31523%0.228SC..EExtended strand (participates in β ladder)trans-111.4115.1171.9-175.256.464.800109.5R350 Q352 I628R350-M633 HydrophobicContact CB-CE 3.79Å; R350-M633 HydrophobicContact CB-SD 4.17Å; R350-M633 CarbonylContact O-C 3.51Å; R350-M633 WeakPolarHBondContact O-CA 3.43Å; R350-M633 VanDerWaalsContact O-SD 3.37Å; Q352-M633 HydrophobicContact CB-CE 4.35Å; Q352-M633 HydrophobicContact CB-CG 4.19Å; Q352-M633 HydrophobicContact CB-SD 3.44Å; Q352-M633 WeakPolarHBondContact CB-SD 3.14Å; Q352-M633 PolarHBondContact N-SD 3.43Å; Q352-M633 VanDerWaalsContact N-SD 3.43Å; I628-M633 HydrophobicContact CD1-CE 3.66Å; I628-M633 HydrophobicContact CG1-CE 3.28Å
634L95.6Very high91.3Very high15 Ų1552.3 Ų52.38%0.07926%0.26CS..EExtended strand (participates in β ladder)trans-81.6128.7174-95.7170.5000111I339 R350 C351 Q352 W432 D433 L434 I438I339-L634 HydrophobicContact CD1-CD1 4.1Å; R350-L634 PolarHBondContact O-N 2.73Å; C351-L634 VanDerWaalsContact CA-O 3.3Å; C351-L634 WeakPolarHBondContact CA-O 3.43Å; C351-L634 HydrophobicContact CB-CB 3.72Å; Q352-L634 PolarHBondContact N-O 2.9Å; W432-L634 HydrophobicContact CE3-CB 4.49Å; D433-L634 VanDerWaalsContact O-CD2 3.25Å; D433-L634 WeakPolarHBondContact O-CD2 3.43Å; L434-L634 HydrophobicContact CD1-CD1 4.33Å; I438-L634 HydrophobicContact CD1-CD2 3.44Å; I438-L634 VanDerWaalsContact CD1-CD2 3.44Å; I438-L634 HydrophobicContact CD1-CG 3.96Å; I438-L634 HydrophobicContact CG2-CG 4.44Å
635E94.4Very high91.2Very high164 Ų16455.3 Ų55.377%0.76628%0.276SS*.PPolyproline II helixtrans-88.1148.5164.2-65-170.1171.500109.7
636P94.4Very high91.1Very high33 Ų3359.8 Ų59.821%0.21429%0.292CS..PPolyproline II helixtrans-76.2128.8-179.530.1-33000110.9Q352 C430 L431 W432 V638 C639Q352-P636 WeakPolarHBondContact O-CD 3.24Å; C430-P636 HydrophobicContact CB-CB 4.14Å; L431-P636 CarbonylContact O-C 3.59Å; L431-P636 WeakPolarHBondContact O-CA 3.49Å; W432-P636 HydrophobicContact CD2-CB 4.08Å; W432-P636 VanDerWaalsContact CE3-CA 3.42Å; W432-P636 HydrophobicContact CE3-CB 3.64Å; W432-P636 HydrophobicContact CE3-CG 4.44Å; W432-P636 HydrophobicContact CH2-CB 4.02Å; W432-P636 HydrophobicContact CH2-CG 4.31Å; W432-P636 HydrophobicContact CZ2-CB 4.39Å; W432-P636 HydrophobicContact CZ3-CB 3.62Å; W432-P636 HydrophobicContact CZ3-CG 3.98Å; P636-V638 VanDerWaalsContact C-N 3.25Å; P636-V638 PolarHBondContact O-N 2.8Å; P636-C639 HydrophobicContact CB-CB 4.1Å; P636-C639 HydrophobicContact CG-CB 3.71Å
637L91.3Very high91.2Very high75 Ų7559.8 Ų59.839%0.39329%0.292SS..SBendtrans-58.4-41172178.270.2000111.2A7 I8 L431A7-L637 HydrophobicContact CB-CD2 4.22Å; I8-L637 HydrophobicContact CD1-CD1 3.95Å; I8-L637 HydrophobicContact CD1-CD2 3.86Å; I8-L637 HydrophobicContact CG1-CD1 3.95Å; I8-L637 HydrophobicContact CG1-CD2 3.88Å; L431-L637 PolarHBondContact O-N 2.93Å
638V91.1Very high91.2Very high10 Ų1054 Ų546%0.06127%0.271CS..EExtended strand (participates in β ladder)trans-127.4131.1174.6-176.30000107.8F5 D6 A7 C430 L431 P636 T640F5-V638 HydrophobicContact CB-CG1 4.1Å; F5-V638 HydrophobicContact CD2-CG1 3.94Å; F5-V638 HydrophobicContact CD2-CG2 4.41Å; F5-V638 HydrophobicContact CG-CG1 4.16Å; D6-V638 VanDerWaalsContact O-CG2 3.22Å; D6-V638 WeakPolarHBondContact O-CG2 3.4Å; A7-V638 HydrophobicContact CB-CG2 4.2Å; C430-V638 CarbonylContact C-O 3.45Å; C430-V638 WeakPolarHBondContact CA-O 3.37Å; L431-V638 HydrophobicContact CB-CB 4.02Å; L431-V638 HydrophobicContact CB-CG2 4.24Å; L431-V638 HydrophobicContact CD1-CB 4.25Å; L431-V638 HydrophobicContact CD1-CG2 4.05Å; L431-V638 HydrophobicContact CG-CB 4.19Å; L431-V638 HydrophobicContact CG-CG2 4.47Å; L431-V638 PolarHBondContact N-O 2.77Å; L431-V638 PolarHBondContact O-N 3.11Å; P636-V638 VanDerWaalsContact C-N 3.25Å; P636-V638 PolarHBondContact O-N 2.8Å; V638-T640 HydrophobicContact CG1-CG2 4.01Å
639C91.9Very high91.4Very high55 Ų5550.8 Ų50.837%0.37226%0.255SS..EExtended strand (participates in β ladder)trans-139.897.1171.5-176.20000109.3M428 L429 P636M428-C639 WeakPolarHBondContact CE-SG 3.18Å; L429-C639 WeakPolarHBondContact O-CA 3.26Å; P636-C639 HydrophobicContact CB-CB 4.1Å; P636-C639 HydrophobicContact CG-CB 3.71Å
640T90.4Very high91.6Very high28 Ų2846.4 Ų46.417%0.17222%0.224CC..EExtended strand (participates in β ladder)trans-132.3146-171.4-176.50000113.2S2 F5 M428 L429 V638 I642S2-T640 PolarHBondContact OG-OG1 2.83Å; F5-T640 HydrophobicContact CB-CG2 4.29Å; F5-T640 HydrophobicContact CD1-CG2 4.33Å; F5-T640 HydrophobicContact CG-CG2 4.43Å; M428-T640 WeakPolarHBondContact CA-O 3.46Å; M428-T640 VanDerWaalsContact CE-C 3.44Å; L429-T640 PolarHBondContact N-O 2.57Å; L429-T640 PolarHBondContact O-N 3.34Å; V638-T640 HydrophobicContact CG1-CG2 4.01Å; T640-I642 HydrophobicContact CG2-CG2 4Å; T640-I642 PolarHBondContact O-N 3.45Å
641R89.3Confident91.8Very high134 Ų13446.1 Ų46.151%0.50622%0.223SC..EExtended strand (participates in β ladder)trans-84.6109.2175.9-177170.6-65.8-105.8-11.5110.3D426 T427 M428D426-R641 PolarHBondContact O-NH2 2.77Å; T427-R641 PolarHBondContact OG1-NH1 2.86Å; M428-R641 HydrophobicContact SD-CB 3.74Å; M428-R641 HydrophobicContact SD-CG 4.45Å
642I83.4Confident91.7Very high1 Ų146.5 Ų46.51%0.00522%0.224CC..  trans-97.5-38-174.750.1164.2000113.5M1 T427 L429 T640 V647 I659 W669M1-I642 WeakPolarHBondContact CB-O 3.11Å; M1-I642 WeakPolarHBondContact CG-O 3.46Å; M1-I642 VanDerWaalsContact SD-O 3.42Å; T427-I642 PolarHBondContact O-N 2.86Å; L429-I642 HydrophobicContact CB-CD1 3.88Å; L429-I642 HydrophobicContact CB-CG1 4.23Å; L429-I642 HydrophobicContact CB-CG2 4.1Å; T640-I642 HydrophobicContact CG2-CG2 4Å; T640-I642 PolarHBondContact O-N 3.45Å; I642-V647 HydrophobicContact CD1-CG2 4.13Å; I642-V647 HydrophobicContact CG1-CG2 4.35Å; I642-I659 HydrophobicContact CD1-CB 4.2Å; I642-I659 HydrophobicContact CD1-CD1 3.46Å; I642-I659 VanDerWaalsContact CD1-CD1 3.46Å; I642-I659 HydrophobicContact CD1-CG1 4.38Å; I642-I659 HydrophobicContact CD1-CG2 3.6Å; I642-W669 HydrophobicContact CB-CH2 3.9Å; I642-W669 HydrophobicContact CB-CZ2 4.01Å; I642-W669 HydrophobicContact CD1-CH2 4.03Å; I642-W669 HydrophobicContact CG2-CH2 3.83Å; I642-W669 HydrophobicContact CG2-CZ2 3.66Å
643L82.7Confident91.4Very high2 Ų246.6 Ų46.61%0.0122%0.223CC..  trans-125170.5-171.5-71.8169.1000111.5T427 V647 I659 D661 L665 L667T427-L643 PolarHBondContact OG1-O 2.8Å; L643-V647 HydrophobicContact CB-CG2 4.41Å; L643-V647 HydrophobicContact CD1-CG2 4.24Å; L643-I659 HydrophobicContact CD1-CG2 4.02Å; L643-D661 HydrophobicContact CB-CB 4.3Å; L643-D661 HydrophobicContact CD1-CB 3.8Å; L643-D661 HydrophobicContact CG-CB 4.48Å; L643-L665 HydrophobicContact CD2-CB 4.27Å; L643-L665 HydrophobicContact CD2-CD2 3.71Å; L643-L665 HydrophobicContact CD2-CG 4Å; L643-L667 HydrophobicContact CD2-CD1 3.45Å; L643-L667 VanDerWaalsContact CD2-CD1 3.45Å; L643-L667 HydrophobicContact CD2-CG 3.91Å; L643-L667 HydrophobicContact CG-CD1 3.91Å
644K85.3Confident90.8Very high169 Ų16951.5 Ų51.574%0.73524%0.238SC*.SBendtrans-92-35.7178.7-89.7166.8-177.71760111.8M1M1-K644 HydrophobicContact CE-CB 4.06Å; M1-K644 HydrophobicContact CE-CD 3.81Å; M1-K644 HydrophobicContact CE-CG 3.57Å
645D89.3Confident90.1Very high63 Ų6353.7 Ų53.734%0.33725%0.25SC..SBendtrans-105.9171.4180-79.2-93.8000111.3T427 V647 D661 Q663T427-D645 VanDerWaalsContact CG2-C 3.49Å; T427-D645 WeakPolarHBondContact CG2-O 3.42Å; D645-V647 PolarHBondContact O-N 3.13Å; D645-D661 HydrophobicContact CB-CB 4.21Å; D645-Q663 HydrophobicContact CB-CG 3.88Å; D645-Q663 VanDerWaalsContact CG-CG 3.47Å; D645-Q663 PolarHBondContact OD1-NE2 2.96Å; D645-Q663 VanDerWaalsContact OD1-NE2 3.1Å
646R91.1Very high89.8Confident97 Ų9746.1 Ų46.137%0.36621%0.214SC..  trans-56.4125-179.8-62.8-176-68.2-131.3-2110.2H425 D661 Q662H425-R646 HydrophobicContact CB-CG 4.18Å; R646-D661 WeakPolarHBondContact O-CA 3.46Å; R646-D661 WeakPolarHBondContact O-CB 3.45Å; R646-Q662 PolarHBondContact O-N 2.77Å
647V93.5Very high89.6Confident0 Ų044.5 Ų44.50%020%0.204CC..EExtended strand (participates in β ladder)trans-71.7137173.7-172.30000108.6S359 V423 G424 I642 L643 D645 I659 V660S359-V647 WeakPolarHBondContact CB-O 3.3Å; S359-V647 PolarHBondContact OG-O 2.7Å; V423-V647 HydrophobicContact CB-CB 3.87Å; V423-V647 HydrophobicContact CB-CG1 3.49Å; V423-V647 VanDerWaalsContact CB-CG1 3.49Å; V423-V647 HydrophobicContact CB-CG2 4.48Å; V423-V647 HydrophobicContact CG1-CG1 3.82Å; V423-V647 HydrophobicContact CG2-CB 4.28Å; V423-V647 HydrophobicContact CG2-CG1 3.62Å; G424-V647 PolarHBondContact O-N 2.82Å; I642-V647 HydrophobicContact CD1-CG2 4.13Å; I642-V647 HydrophobicContact CG1-CG2 4.35Å; L643-V647 HydrophobicContact CB-CG2 4.41Å; L643-V647 HydrophobicContact CD1-CG2 4.24Å; D645-V647 PolarHBondContact O-N 3.13Å; V647-I659 HydrophobicContact CB-CG2 4.5Å; V647-I659 HydrophobicContact CG1-CG2 3.22Å; V647-V660 WeakPolarHBondContact CG1-O 3.43Å
648T93.7Very high89.7Confident6 Ų641.2 Ų41.24%0.03719%0.187CC..EExtended strand (participates in β ladder)trans-120.7-17.6-175.254.20000114.9A37 I38 R39 V660 Q662A37-T648 HydrophobicContact CB-CG2 4.45Å; I38-T648 VanDerWaalsContact O-CB 3.22Å; I38-T648 WeakPolarHBondContact O-CB 3.21Å; I38-T648 PolarHBondContact O-OG1 2.9Å; R39-T648 PolarHBondContact NH1-O 2.9Å; T648-V660 PolarHBondContact N-O 2.94Å; T648-V660 PolarHBondContact OG1-O 3.49Å; T648-Q662 HydrophobicContact CG2-CB 3.76Å; T648-Q662 HydrophobicContact CG2-CG 4.23Å
649D95.5Very high89.7Confident4 Ų440.8 Ų40.82%0.02118%0.184CC..EExtended strand (participates in β ladder)trans-152.1155.7173.6-146.5-17.7000112.3R39 L40 I659 V660R39-D649 WeakPolarHBondContact CA-OD2 3.31Å; L40-D649 PolarHBondContact N-OD2 3.4Å; D649-I659 WeakPolarHBondContact O-CA 3.44Å; D649-I659 WeakPolarHBondContact O-CG2 3.47Å; D649-V660 HydrophobicContact CB-CG1 3.72Å; D649-V660 PolarHBondContact O-N 3.47Å
650L95.2Very high89.7Confident0 Ų038.1 Ų38.10%017%0.166CC..EExtended strand (participates in β ladder)trans-139.9129.9178.8166.466.8000108M360 R362 G421 V423 L429 F652 I657 I659M360-L650 HydrophobicContact CB-CB 4.44Å; M360-L650 HydrophobicContact CG-CB 4.16Å; R362-L650 HydrophobicContact CB-CD2 4.35Å; R362-L650 HydrophobicContact CG-CG 4.35Å; R362-L650 VanDerWaalsContact CG-O 3.26Å; R362-L650 WeakPolarHBondContact CG-O 3.15Å; G421-L650 VanDerWaalsContact C-CD2 3.48Å; V423-L650 HydrophobicContact CG1-CB 4.2Å; V423-L650 HydrophobicContact CG1-CD2 4.35Å; V423-L650 HydrophobicContact CG2-CB 3.84Å; L429-L650 HydrophobicContact CD1-CD1 4.38Å; L429-L650 HydrophobicContact CD1-CD2 4.47Å; L650-F652 HydrophobicContact CD2-CE2 4.16Å; L650-F652 HydrophobicContact CD2-CZ 4.42Å; L650-I657 HydrophobicContact CD1-CG2 3.64Å; L650-I659 HydrophobicContact CD1-CD1 3.83Å; L650-I659 HydrophobicContact CD1-CG1 3.61Å
651V94.5Very high89.7Confident25 Ų2536.9 Ų36.915%0.15216%0.158CC..EExtended strand (participates in β ladder)trans-134.3122.2175-176.50000110.5L40 F42 R653 H658L40-V651 HydrophobicContact CB-CG2 3.99Å; L40-V651 HydrophobicContact CD1-CG2 4.42Å; F42-V651 HydrophobicContact CD2-CB 4.2Å; F42-V651 HydrophobicContact CD2-CG1 3.73Å; F42-V651 HydrophobicContact CD2-CG2 4.19Å; F42-V651 HydrophobicContact CE2-CB 3.87Å; F42-V651 HydrophobicContact CE2-CG1 3.87Å; F42-V651 HydrophobicContact CE2-CG2 3.95Å; V651-R653 HydrophobicContact CG1-CG 4.39Å; V651-H658 HydrophobicContact CB-CB 4.46Å; V651-H658 PolarHBondContact N-O 3.15Å; V651-H658 PolarHBondContact O-N 2.82Å
652F92.2Very high89.6Confident16 Ų1631.6 Ų31.67%0.0714%0.139CC..EExtended strand (participates in β ladder)trans-81134165.6-68.1-74.1000110.2R362 F363 D364 L431 L650 I657R362-F652 HydrophobicContact CB-CD2 3.69Å; R362-F652 HydrophobicContact CB-CE2 3.75Å; F363-F652 WeakPolarHBondContact O-CD2 3.45Å; D364-F652 HydrophobicContact CB-CD1 4.03Å; D364-F652 HydrophobicContact CB-CD2 3.97Å; D364-F652 HydrophobicContact CB-CE1 4.15Å; D364-F652 HydrophobicContact CB-CE2 4.09Å; D364-F652 HydrophobicContact CB-CG 3.96Å; D364-F652 HydrophobicContact CB-CZ 4.17Å; L431-F652 HydrophobicContact CD2-CE1 4.2Å; L431-F652 HydrophobicContact CD2-CZ 3.91Å; L650-F652 HydrophobicContact CD2-CE2 4.16Å; L650-F652 HydrophobicContact CD2-CZ 4.42Å; F652-I657 HydrophobicContact CD1-CD1 3.98Å; F652-I657 HydrophobicContact CD1-CG1 3.82Å; F652-I657 HydrophobicContact CE1-CD1 3.63Å; F652-I657 HydrophobicContact CE1-CG1 4Å
653R88.4Confident89.7Confident18 Ų1836.1 Ų36.17%0.06816%0.161CC..  trans-125.5171.5167.4-66.5-173.269.1-172.9-0.3109.7E44 S63 Y366 V651 D655 T656 R671E44-R653 IonicContact OE1-CZ 2.65Å; E44-R653 IonicContact OE1-NE 3.7Å; E44-R653 PolarHBondContact OE1-NE 3.24Å; E44-R653 IonicContact OE1-NH2 3.33Å; E44-R653 PolarHBondContact OE1-NH2 2.91Å; S63-R653 PolarHBondContact OG-NH2 2.83Å; Y366-R653 VanDerWaalsContact CE2-CA 3.4Å; V651-R653 HydrophobicContact CG1-CG 4.39Å; R653-D655 VanDerWaalsContact C-N 3.31Å; R653-D655 PolarHBondContact O-N 2.98Å; R653-T656 CarbonylContact C-O 3.08Å; R653-T656 WeakPolarHBondContact CA-O 3.11Å; R653-T656 WeakPolarHBondContact CB-OG1 3.17Å; R653-T656 PolarHBondContact N-O 3.34Å; R653-T656 PolarHBondContact O-N 3.47Å; R653-R671 PolarHBondContact O-NE 3.3Å; R653-R671 PolarHBondContact O-NH2 2.68Å; R653-R671 VanDerWaalsContact O-NH2 3.15Å
654R83.7Confident89.6Confident167 Ų16736.2 Ų36.263%0.6316%0.162SC*.SBendtrans-54.3-44.1-173.4-166.1-178.9-164.295.810.9113.8Y366 R671Y366-R654 HydrophobicContact CD1-CB 3.92Å; Y366-R654 HydrophobicContact CD1-CG 3.89Å; Y366-R654 VanDerWaalsContact CE1-CA 3.49Å; Y366-R654 HydrophobicContact CE1-CB 3.57Å; Y366-R654 HydrophobicContact CE1-CG 3.93Å; Y366-R654 VanDerWaalsContact CE2-N 3.32Å; Y366-R654 PolarHBondContact OH-N 3.31Å; R654-R671 WeakPolarHBondContact O-CD 3.1Å; R654-R671 PolarHBondContact O-NE 2.99Å
655D81.4Confident89.5Confident61 Ų6129.5 Ų29.533%0.32613%0.134SC..SBendtrans-115-2.1-176-36.4-54.2000112.6R87 R653 Q670 R671R87-D655 IonicContact CZ-OD2 3.68Å; R87-D655 IonicContact NH1-OD2 2.68Å; R87-D655 PolarHBondContact NH1-OD2 3.38Å; R87-D655 IonicContact NH2-OD2 3.07Å; R87-D655 PolarHBondContact NH2-OD2 2.73Å; R653-D655 VanDerWaalsContact C-N 3.31Å; R653-D655 PolarHBondContact O-N 2.98Å; D655-Q670 WeakPolarHBondContact O-CA 3.14Å; D655-R671 PolarHBondContact O-N 3.14Å
656T88Confident89.2Confident4 Ų427.3 Ų27.33%0.02512%0.121CC..EExtended strand (participates in β ladder)trans-146.3155.3-167.664.50000113.9F15 R653 H658 W669F15-T656 HydrophobicContact CE2-CG2 3.39Å; F15-T656 HydrophobicContact CZ-CG2 3.53Å; R653-T656 CarbonylContact C-O 3.08Å; R653-T656 WeakPolarHBondContact CA-O 3.11Å; R653-T656 WeakPolarHBondContact CB-OG1 3.17Å; R653-T656 PolarHBondContact N-O 3.34Å; R653-T656 PolarHBondContact O-N 3.47Å; T656-H658 PolarHBondContact OG1-CD2 2.77Å; T656-H658 VanDerWaalsContact OG1-CD2 3.24Å; T656-H658 PolarHBondContact OG1-NE2 3.49Å; T656-W669 CarbonylContact C-O 3.57Å; T656-W669 WeakPolarHBondContact CA-O 3.32Å; T656-W669 WeakPolarHBondContact CB-O 3.49Å
657I90.6Very high88.9Confident0 Ų023.2 Ų23.20%011%0.107CC..EExtended strand (participates in β ladder)trans-115.3129.2166.4-58-177.5000107.7F5 Y12 L650 F652 I659 A668 W669F5-I657 HydrophobicContact CZ-CD1 4.25Å; Y12-I657 HydrophobicContact CD1-CD1 3.78Å; Y12-I657 HydrophobicContact CD1-CG1 4.25Å; Y12-I657 HydrophobicContact CE1-CD1 3.24Å; Y12-I657 HydrophobicContact CE1-CG1 3.77Å; L650-I657 HydrophobicContact CD1-CG2 3.64Å; F652-I657 HydrophobicContact CD1-CD1 3.98Å; F652-I657 HydrophobicContact CD1-CG1 3.82Å; F652-I657 HydrophobicContact CE1-CD1 3.63Å; F652-I657 HydrophobicContact CE1-CG1 4Å; I657-I659 HydrophobicContact CG2-CD1 4.27Å; I657-I659 HydrophobicContact CG2-CG1 4.21Å; I657-A668 CarbonylContact O-C 3.48Å; I657-A668 VanDerWaalsContact O-CA 3.3Å; I657-A668 WeakPolarHBondContact O-CA 3.38Å; I657-W669 PolarHBondContact N-O 3.23Å; I657-W669 PolarHBondContact O-N 2.63Å
658H91.6Very high88.5Confident6 Ų623.8 Ų23.83%0.02811%0.111CC..EExtended strand (participates in β ladder)trans-115.8134.3179.1-68.4-83.7000111.2L40 F42 V651 T656 F666 L667 A668L40-H658 HydrophobicContact CD1-CB 4.15Å; F42-H658 HydrophobicContact CE2-CB 4.29Å; F42-H658 HydrophobicContact CZ-CB 3.9Å; F42-H658 AromaticContact CZ-CD2 3.77Å; F42-H658 AromaticContact CZ-CG 3.64Å; V651-H658 HydrophobicContact CB-CB 4.46Å; V651-H658 PolarHBondContact N-O 3.15Å; V651-H658 PolarHBondContact O-N 2.82Å; T656-H658 PolarHBondContact OG1-CD2 2.77Å; T656-H658 VanDerWaalsContact OG1-CD2 3.24Å; T656-H658 PolarHBondContact OG1-NE2 3.49Å; H658-F666 HydrophobicContact CB-CE2 4.11Å; H658-F666 AromaticContact CE1-CZ 3.77Å; H658-F666 AromaticContact ND1-CE1 3.95Å; H658-F666 AromaticContact ND1-CE2 3.56Å; H658-F666 AromaticContact ND1-CZ 3.09Å; H658-F666 WeakPolarHBondContact ND1-CZ 3.29Å; H658-L667 WeakPolarHBondContact CA-O 3.22Å; H658-A668 WeakPolarHBondContact ND1-CB 3.35Å
659I92.2Very high88.2Confident0 Ų023.6 Ų23.60%011%0.11CC..EExtended strand (participates in β ladder)trans-139.5146.2-179.1-58.8179.2000109.6V423 L429 I642 L643 V647 D649 L650 I657 L667 W669V423-I659 HydrophobicContact CG1-CD1 4.14Å; V423-I659 HydrophobicContact CG1-CG2 4.45Å; L429-I659 HydrophobicContact CB-CD1 4.3Å; L429-I659 HydrophobicContact CD1-CD1 3.86Å; L429-I659 HydrophobicContact CD2-CD1 3.85Å; L429-I659 HydrophobicContact CG-CD1 4.21Å; I642-I659 HydrophobicContact CD1-CB 4.2Å; I642-I659 HydrophobicContact CD1-CD1 3.46Å; I642-I659 VanDerWaalsContact CD1-CD1 3.46Å; I642-I659 HydrophobicContact CD1-CG1 4.38Å; I642-I659 HydrophobicContact CD1-CG2 3.6Å; L643-I659 HydrophobicContact CD1-CG2 4.02Å; V647-I659 HydrophobicContact CB-CG2 4.5Å; V647-I659 HydrophobicContact CG1-CG2 3.22Å; D649-I659 WeakPolarHBondContact O-CA 3.44Å; D649-I659 WeakPolarHBondContact O-CG2 3.47Å; L650-I659 HydrophobicContact CD1-CD1 3.83Å; L650-I659 HydrophobicContact CD1-CG1 3.61Å; I657-I659 HydrophobicContact CG2-CD1 4.27Å; I657-I659 HydrophobicContact CG2-CG1 4.21Å; I659-L667 PolarHBondContact N-O 3.06Å; I659-L667 PolarHBondContact O-N 3.14Å; I659-W669 HydrophobicContact CB-CH2 4.49Å; I659-W669 HydrophobicContact CB-CZ3 3.94Å; I659-W669 HydrophobicContact CD1-CE3 4.48Å; I659-W669 HydrophobicContact CD1-CH2 4.17Å; I659-W669 HydrophobicContact CD1-CZ3 3.66Å; I659-W669 HydrophobicContact CG1-CZ3 3.86Å
660V91.2Very high87.7Confident0 Ų026.4 Ų26.40%012%0.123CC..EExtended strand (participates in β ladder)trans-134.8142.1177.571.50000111.8I38 L40 I67 V647 T648 D649 L665I38-V660 HydrophobicContact CG2-CB 4.37Å; I38-V660 HydrophobicContact CG2-CG1 3.85Å; I38-V660 HydrophobicContact CG2-CG2 3.57Å; L40-V660 HydrophobicContact CD1-CB 4.24Å; L40-V660 HydrophobicContact CD1-CG1 4.18Å; L40-V660 HydrophobicContact CD2-CB 4.41Å; L40-V660 HydrophobicContact CD2-CG1 4.38Å; L40-V660 HydrophobicContact CG-CB 4.31Å; L40-V660 HydrophobicContact CG-CG1 3.94Å; I67-V660 HydrophobicContact CD1-CG2 3.73Å; V647-V660 WeakPolarHBondContact CG1-O 3.43Å; T648-V660 PolarHBondContact N-O 2.94Å; T648-V660 PolarHBondContact OG1-O 3.49Å; D649-V660 HydrophobicContact CB-CG1 3.72Å; D649-V660 PolarHBondContact O-N 3.47Å; V660-L665 WeakPolarHBondContact CA-O 3.49Å
661D90.4Very high87.3Confident1 Ų127.4 Ų27.41%0.00513%0.127CC..EExtended strand (participates in β ladder)trans-97.4171.6168.971.825.6000113.5L643 D645 R646 Q663 G664 L665L643-D661 HydrophobicContact CB-CB 4.3Å; L643-D661 HydrophobicContact CD1-CB 3.8Å; L643-D661 HydrophobicContact CG-CB 4.48Å; D645-D661 HydrophobicContact CB-CB 4.21Å; R646-D661 WeakPolarHBondContact O-CA 3.46Å; R646-D661 WeakPolarHBondContact O-CB 3.45Å; D661-Q663 PolarHBondContact O-N 3.46Å; D661-Q663 WeakPolarHBondContact OD1-CA 3.18Å; D661-Q663 WeakPolarHBondContact OD1-CB 3.34Å; D661-Q663 PolarHBondContact OD1-N 3.45Å; D661-G664 PolarHBondContact O-N 3.36Å; D661-G664 PolarHBondContact OD1-N 2.89Å; D661-L665 PolarHBondContact N-O 3.4Å; D661-L665 VanDerWaalsContact N-O 3.08Å; D661-L665 VanDerWaalsContact OD1-CB 3.28Å; D661-L665 WeakPolarHBondContact OD1-CB 3.14Å; D661-L665 PolarHBondContact OD1-N 3.08Å; D661-L665 WeakPolarHBondContact OD2-CB 3Å
662Q88.3Confident86.6Confident23 Ų2327.9 Ų27.911%0.10713%0.13CC..THydrogen-bonded Turntrans-67.1-11.2-178.8-164.3155.725.600114.9N35 I38 R646 T648 G664N35-Q662 PolarHBondContact OD1-NE2 3.31Å; N35-Q662 VanDerWaalsContact OD1-NE2 3.15Å; I38-Q662 WeakPolarHBondContact CD1-O 3.43Å; R646-Q662 PolarHBondContact O-N 2.77Å; T648-Q662 HydrophobicContact CG2-CB 3.76Å; T648-Q662 HydrophobicContact CG2-CG 4.23Å; Q662-G664 VanDerWaalsContact C-N 3.32Å
663Q84.8Confident85.4Confident97 Ų9732.2 Ų32.245%0.45316%0.158SC..THydrogen-bonded Turntrans-89.7-2171.2-53.1-60.1-24.600111.9M28 D645 D661M28-Q663 VanDerWaalsContact CE-O 3.31Å; M28-Q663 WeakPolarHBondContact CE-O 3.28Å; D645-Q663 HydrophobicContact CB-CG 3.88Å; D645-Q663 VanDerWaalsContact CG-CG 3.47Å; D645-Q663 PolarHBondContact OD1-NE2 2.96Å; D645-Q663 VanDerWaalsContact OD1-NE2 3.1Å; D661-Q663 PolarHBondContact O-N 3.46Å; D661-Q663 WeakPolarHBondContact OD1-CA 3.18Å; D661-Q663 WeakPolarHBondContact OD1-CB 3.34Å; D661-Q663 PolarHBondContact OD1-N 3.45Å
664G80.7Confident83.8Confident4 Ų439.1 Ų39.14%0.04119%0.191CC..  trans82.417.5-176.300000113.1I38 D661 Q662 F666I38-G664 VanDerWaalsContact CD1-N 3.33Å; D661-G664 PolarHBondContact O-N 3.36Å; D661-G664 PolarHBondContact OD1-N 2.89Å; Q662-G664 VanDerWaalsContact C-N 3.32Å; G664-F666 PolarHBondContact O-N 2.96Å
665L83.1Confident81.6Confident28 Ų2837.3 Ų37.315%0.14720%0.198CC..  trans-75.4117.8173.7-163.658.5000109.3M1 P19 V21 L643 V660 D661M1-L665 HydrophobicContact CE-CD2 4.47Å; P19-L665 HydrophobicContact CB-CD1 3.5Å; P19-L665 HydrophobicContact CB-CD2 4.05Å; P19-L665 HydrophobicContact CB-CG 3.88Å; P19-L665 HydrophobicContact CG-CD1 4.47Å; P19-L665 HydrophobicContact CG-CD2 4.25Å; V21-L665 HydrophobicContact CB-CD1 4.33Å; V21-L665 HydrophobicContact CG2-CD1 3.68Å; L643-L665 HydrophobicContact CD2-CB 4.27Å; L643-L665 HydrophobicContact CD2-CD2 3.71Å; L643-L665 HydrophobicContact CD2-CG 4Å; V660-L665 WeakPolarHBondContact CA-O 3.49Å; D661-L665 PolarHBondContact N-O 3.4Å; D661-L665 VanDerWaalsContact N-O 3.08Å; D661-L665 VanDerWaalsContact OD1-CB 3.28Å; D661-L665 WeakPolarHBondContact OD1-CB 3.14Å; D661-L665 PolarHBondContact OD1-N 3.08Å; D661-L665 WeakPolarHBondContact OD2-CB 3Å
666F83.1Confident79.4Confident17 Ų1742.2 Ų42.28%0.07522%0.217CC..EExtended strand (participates in β ladder)trans-105.7130.2-176.7172.6-98.9000110.6L40 F65 H658 G664 A668L40-F666 HydrophobicContact CD1-CD2 4.17Å; L40-F666 HydrophobicContact CD1-CE2 4.01Å; L40-F666 HydrophobicContact CD2-CD2 4.12Å; L40-F666 HydrophobicContact CD2-CE2 4.17Å; F65-F666 HydrophobicContact CE1-CZ 4.38Å; F65-F666 HydrophobicContact CE2-CE2 4.16Å; F65-F666 HydrophobicContact CE2-CZ 4.16Å; F65-F666 HydrophobicContact CZ-CE1 4.23Å; F65-F666 HydrophobicContact CZ-CE2 4.4Å; F65-F666 AromaticContact CZ-CZ 3.95Å; F65-F666 HydrophobicContact CZ-CZ 3.95Å; H658-F666 HydrophobicContact CB-CE2 4.11Å; H658-F666 AromaticContact CE1-CZ 3.77Å; H658-F666 AromaticContact ND1-CE1 3.95Å; H658-F666 AromaticContact ND1-CE2 3.56Å; H658-F666 AromaticContact ND1-CZ 3.09Å; H658-F666 WeakPolarHBondContact ND1-CZ 3.29Å; G664-F666 PolarHBondContact O-N 2.96Å; F666-A668 HydrophobicContact CE1-CB 4.38Å
667L84.3Confident76.6Confident10 Ų1049.9 Ų49.95%0.05225%0.252CS..EExtended strand (participates in β ladder)trans-122.5145.2174-70.2179.3000110.5P19 L643 H658 I659 W669P19-L667 HydrophobicContact CB-CD2 3.79Å; P19-L667 HydrophobicContact CG-CD2 4.09Å; L643-L667 HydrophobicContact CD2-CD1 3.45Å; L643-L667 VanDerWaalsContact CD2-CD1 3.45Å; L643-L667 HydrophobicContact CD2-CG 3.91Å; L643-L667 HydrophobicContact CG-CD1 3.91Å; H658-L667 WeakPolarHBondContact CA-O 3.22Å; I659-L667 PolarHBondContact N-O 3.06Å; I659-L667 PolarHBondContact O-N 3.14Å; L667-W669 HydrophobicContact CB-CE3 4.37Å; L667-W669 HydrophobicContact CB-CH2 3.44Å; L667-W669 VanDerWaalsContact CB-CH2 3.44Å; L667-W669 HydrophobicContact CB-CZ2 4.1Å; L667-W669 HydrophobicContact CB-CZ3 3.59Å; L667-W669 HydrophobicContact CD1-CH2 3.57Å; L667-W669 HydrophobicContact CD1-CZ2 3.77Å; L667-W669 HydrophobicContact CG-CH2 4.16Å
668A86Confident73.5Confident12 Ų1256.7 Ų56.710%0.09929%0.288CS..EExtended strand (participates in β ladder)trans-134.7128.7176.100000109.4S14 F15 I657 H658 F666S14-A668 WeakPolarHBondContact CA-O 3.47Å; F15-A668 HydrophobicContact CD2-CB 3.74Å; F15-A668 WeakPolarHBondContact CD2-O 3.44Å; F15-A668 HydrophobicContact CE2-CB 4.33Å; F15-A668 PolarHBondContact N-O 3.35Å; I657-A668 CarbonylContact O-C 3.48Å; I657-A668 VanDerWaalsContact O-CA 3.3Å; I657-A668 WeakPolarHBondContact O-CA 3.38Å; H658-A668 WeakPolarHBondContact ND1-CB 3.35Å; F666-A668 HydrophobicContact CE1-CB 4.38Å
669W86.4Confident70.5Confident2 Ų262.8 Ų62.81%0.00833%0.327CS..EExtended strand (participates in β ladder)trans-110.7136.9170.5-62.3-100.6000109.5F5 Y12 Q13 I642 T656 I657 I659 L667F5-W669 HydrophobicContact CE1-CB 4.45Å; F5-W669 AromaticContact CE1-CD1 3.75Å; F5-W669 AromaticContact CE1-CD2 3.92Å; F5-W669 HydrophobicContact CE1-CD2 3.92Å; F5-W669 AromaticContact CE1-CE2 3.96Å; F5-W669 AromaticContact CE1-CG 3.81Å; F5-W669 HydrophobicContact CE1-CG 3.81Å; F5-W669 AromaticContact CE1-NE1 3.85Å; F5-W669 HydrophobicContact CZ-CG 4.46Å; Y12-W669 HydrophobicContact CD1-CB 4.36Å; Q13-W669 CarbonylContact O-C 3.49Å; Q13-W669 VanDerWaalsContact O-CA 3.29Å; Q13-W669 WeakPolarHBondContact O-CA 3.45Å; I642-W669 HydrophobicContact CB-CH2 3.9Å; I642-W669 HydrophobicContact CB-CZ2 4.01Å; I642-W669 HydrophobicContact CD1-CH2 4.03Å; I642-W669 HydrophobicContact CG2-CH2 3.83Å; I642-W669 HydrophobicContact CG2-CZ2 3.66Å; T656-W669 CarbonylContact C-O 3.57Å; T656-W669 WeakPolarHBondContact CA-O 3.32Å; T656-W669 WeakPolarHBondContact CB-O 3.49Å; I657-W669 PolarHBondContact N-O 3.23Å; I657-W669 PolarHBondContact O-N 2.63Å; I659-W669 HydrophobicContact CB-CH2 4.49Å; I659-W669 HydrophobicContact CB-CZ3 3.94Å; I659-W669 HydrophobicContact CD1-CE3 4.48Å; I659-W669 HydrophobicContact CD1-CH2 4.17Å; I659-W669 HydrophobicContact CD1-CZ3 3.66Å; I659-W669 HydrophobicContact CG1-CZ3 3.86Å; L667-W669 HydrophobicContact CB-CE3 4.37Å; L667-W669 HydrophobicContact CB-CH2 3.44Å; L667-W669 VanDerWaalsContact CB-CH2 3.44Å; L667-W669 HydrophobicContact CB-CZ2 4.1Å; L667-W669 HydrophobicContact CB-CZ3 3.59Å; L667-W669 HydrophobicContact CD1-CH2 3.57Å; L667-W669 HydrophobicContact CD1-CZ2 3.77Å; L667-W669 HydrophobicContact CG-CH2 4.16Å
670Q85.1Confident67.4Low63 Ų6366.6 Ų66.629%0.29435%0.353SS..EExtended strand (participates in β ladder)trans-74.6136.3166.4-164.3174.5-16.300109.3Y12 Q13 F15 D655Y12-Q670 WeakPolarHBondContact CA-O 3.26Å; Q13-Q670 PolarHBondContact N-O 2.85Å; Q13-Q670 VanDerWaalsContact N-O 3.15Å; Q13-Q670 PolarHBondContact O-N 2.82Å; F15-Q670 HydrophobicContact CE1-CB 4.02Å; F15-Q670 HydrophobicContact CE1-CG 4.23Å; F15-Q670 HydrophobicContact CE2-CB 3.83Å; F15-Q670 HydrophobicContact CZ-CB 3.52Å; F15-Q670 HydrophobicContact CZ-CG 3.79Å; D655-Q670 WeakPolarHBondContact O-CA 3.14Å
671R86.3Confident64.4Low21 Ų2174.1 Ų74.18%0.07939%0.391CS..PPolyproline II helixtrans-67.4154.5168.4-76.6170.5-173.9-92.58.7110.8Y12 D364 R653 R654 D655 V673Y12-R671 HydrophobicContact CD1-CG 4.32Å; Y12-R671 HydrophobicContact CE1-CB 4.14Å; Y12-R671 HydrophobicContact CE1-CG 3.49Å; Y12-R671 VanDerWaalsContact CE1-CG 3.49Å; D364-R671 IonicContact OD1-CZ 2.8Å; D364-R671 IonicContact OD1-NH1 2.73Å; D364-R671 IonicContact OD1-NH2 2.77Å; D364-R671 PolarHBondContact OD1-NH2 3.03Å; D364-R671 IonicContact OD2-CZ 3.99Å; D364-R671 VanDerWaalsContact OD2-CZ 3.25Å; D364-R671 IonicContact OD2-NH1 3.53Å; D364-R671 PolarHBondContact OD2-NH1 2.79Å; D364-R671 IonicContact OD2-NH2 3.43Å; D364-R671 PolarHBondContact OD2-NH2 3.27Å; R653-R671 PolarHBondContact O-NE 3.3Å; R653-R671 PolarHBondContact O-NH2 2.68Å; R653-R671 VanDerWaalsContact O-NH2 3.15Å; R654-R671 WeakPolarHBondContact O-CD 3.1Å; R654-R671 PolarHBondContact O-NE 2.99Å; D655-R671 PolarHBondContact O-N 3.14Å; R671-V673 PolarHBondContact O-N 2.99Å
672P80.5Confident61.4Low35 Ų3581.1 Ų81.123%0.22743%0.429CS..PPolyproline II helixtrans-54.4131.8162.5-21.634.8000109.8E9 Y12E9-P672 HydrophobicContact CG-CG 4.04Å; E9-P672 WeakPolarHBondContact O-CB 3.02Å; E9-P672 WeakPolarHBondContact O-CG 3.07Å; Y12-P672 HydrophobicContact CD2-CG 4.37Å; Y12-P672 HydrophobicContact CE2-CG 4.32Å
673V66.8Low58.6Low107 Ų10789 Ų8965%0.64847%0.466SS*.PPolyproline II helixtrans-84.1123.9170.7-179.30000107R671 V675R671-V673 PolarHBondContact O-N 2.99Å; V673-V675 PolarHBondContact O-N 3.36Å
674E55.7Low55.9Low164 Ų16492 Ų9277%0.76648%0.483SS*.  trans-56.6111167.5-73-175.6165.800109K676E674-K676 PolarHBondContact O-N 2.76Å
675V37.6Very low53.5Low129 Ų12997 Ų9778%0.78252%0.515SS*.  trans-71.790.3168-178.10000106.4V673 E677V673-V675 PolarHBondContact O-N 3.36Å; V675-E677 PolarHBondContact O-N 2.83Å
676K34.9Very low50.8Low164 Ų164103.3 Ų103.371%0.71355%0.548SS*.  trans-57.7110.1161.7-72.2-167.9174.9-169.90107E674 N678E674-K676 PolarHBondContact O-N 2.76Å; K676-N678 VanDerWaalsContact C-N 3.29Å; K676-N678 PolarHBondContact O-N 3.43Å
677E28.2Very low48.2Very low165 Ų165108.2 Ų108.277%0.77158%0.583SS**  trans-62.694171.1-71.3-167.715100108.4V675 T679V675-E677 PolarHBondContact O-N 2.83Å; E677-T679 PolarHBondContact O-N 3.07Å; E677-T679 PolarHBondContact O-OG1 3.39Å
678N27.4Very low45.5Very low142 Ų142116 Ų11676%0.75962%0.619SS**  trans-67.877.8169.1-86.7-7.3000109.1K676 S680K676-N678 VanDerWaalsContact C-N 3.29Å; K676-N678 PolarHBondContact O-N 3.43Å; N678-S680 PolarHBondContact O-N 2.89Å
679T26.6Very low42.9Very low135 Ų135120.7 Ų120.783%0.82865%0.651SS**  trans-73.267165.929.90000109.6E677E677-T679 PolarHBondContact O-N 3.07Å; E677-T679 PolarHBondContact O-OG1 3.39Å
680S27.2Very low40.2Very low80 Ų80127.1 Ų127.156%0.55969%0.686SS**  trans-148.9111.217064.90000113N678N678-S680 PolarHBondContact O-N 2.89Å
681I30Very low37.5Very low157 Ų157130.4 Ų130.481%0.80571%0.705SS**  trans84.6105.1147.1-55.4160.3000117.6
682N27.3Very low34.8Very low149 Ų149139.9 Ų139.980%0.79774%0.741SS**  trans-8120142-64-34.6000116.9
683Q28.5Very low32.2Very low189 Ų189144.6 Ų144.688%0.88377%0.765SS**  trans-160.8107.3130.2-110.7164.235.300110.7P685Q683-P685 WeakPolarHBondContact O-CD 3.45Å
684I29.3Very low30.6Very low158 Ų158145.4 Ų145.481%0.8178%0.775SS**  trans-74.3120.6164.7-62.6167.6000106.6L686I684-L686 PolarHBondContact O-N 3.05Å
685P30.2Very low29.3Very low111 Ų111143.3 Ų143.372%0.72178%0.778SS**  trans-77.4113.2171.46.98.1000109Q683 C687Q683-P685 WeakPolarHBondContact O-CD 3.45Å; P685-C687 PolarHBondContact O-N 3.31Å
686L24.8Very low29.1Very low160 Ų160141.5 Ų141.584%0.83878%0.777SS**  trans-67.497.7165.1-79.3161.8000109I684 H688I684-L686 PolarHBondContact O-N 3.05Å; L686-H688 PolarHBondContact O-N 3.3Å
687C30.1Very low28.9Very low119 Ų119139.4 Ų139.480%0.80478%0.783SS**  trans-79.3102167.343.20000110.1P685 S689P685-C687 PolarHBondContact O-N 3.31Å; C687-S689 PolarHBondContact O-N 3.42Å
688H26.1Very low29.1Very low173 Ų173138.5 Ų138.580%0.80179%0.789SS**  trans-64.9123.2158.4-82.4-87000109.5L686L686-H688 PolarHBondContact O-N 3.3Å
689S31Very low29.4Very low112 Ų112136.7 Ų136.778%0.78379%0.788SS**  trans-131.2109.7155.959.90000108.2C687C687-S689 PolarHBondContact O-N 3.42Å
690N31.2Very low29.6Very low137 Ų137137.6 Ų137.673%0.73379%0.787SS**  trans-70.6127.4174.7-68.9-12.8000109.5
691D28.7Very low29.9Very low131 Ų131143.1 Ų143.170%0.70180%0.801SS**  50.9114.9124.4-80.816000118.3
692W29Very low30.1Very low220 Ų220141.7 Ų141.783%0.83380%0.8SS**  -165.5172.654.8-95.2-3.7000115.4
693D26.7Very low30.5Very low135 Ų135143.8 Ų143.872%0.72280%0.802SS**  trans62.193.5157.7-65.1-23.5000120
694S31.6Very low31Very low123 Ų123147.4 Ų147.486%0.8682%0.819SS**  177.9150.587.238.50000113
695S29.5Very low31.1Very low120 Ų120146.9 Ų146.984%0.83982%0.819SS**  trans-80.4170.2-179.860.20000111.8
696A33.7Very low31.2Very low92 Ų92148.7 Ų148.776%0.7682%0.824SS**  cis-153.4163.415.500000111.9
697S30.4Very low31.5Very low119 Ų119148.1 Ų148.183%0.83282%0.824SS**  trans-93162.4164.458.20000112.3
698T31.3Very low31.6Very low146 Ų146149.8 Ų149.890%0.89683%0.825SS**  trans-83.7128.8-159.3-25.50000115
699S33.7Very low32Very low105 Ų105148.4 Ų148.473%0.73483%0.826SS**  trans-161.3108147.266.20000115.6
700N31.2Very low32Very low154 Ų154150.8 Ų150.882%0.82483%0.829SS**  trans54.9134.4134.4-73.6-33000124.4
701K33.7Very low32.1Very low196 Ų196151.8 Ų151.885%0.85284%0.836SS**  trans88.794.8150.2-71.7176.4177.3-178.50120.9
702V33.6Very low32.3Very low127 Ų127153.4 Ų153.477%0.7785%0.846SS**  14.2121.3120.5-176.90000117.6
703F35.4Very low32.6Very low192 Ų192147.8 Ų147.884%0.84285%0.847SS**  -170.3143.7120.8-111.9-74.2000112.1
704Q40.7Very low33.2Very low265 Ų265149 Ų149100%1.23886%0.859SS**  trans69.80178-68.2-172.9-21.400117.6

Retrieved 704 of 704 residues in 109.6 ms (Link to these results)

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