A0A3B3TGR3_9TELE Loading...

EARP complex and GARP complex interacting protein 1

AlphaFold DB , UniProt , Accession A0A3B3TGR3, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 387 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M42.3Very low79.2Confident241 Ų24178.8 Ų78.8100%1.18744%0.439SS*.  025.40-137.5173-163.200110.4
2E46.5Very low80.2Confident174 Ų17483.8 Ų83.881%0.81346%0.457SS*.  trans-130.20.3179.7-80.7177.5153.100113D4E2-D4 VanDerWaalsContact C-N 3.31Å; E2-D4 PolarHBondContact O-N 2.94Å
3D53.5Low81.3Confident105 Ų10579.6 Ų79.656%0.56143%0.431SS*.THydrogen-bonded Turntrans-80.61.7-166.4-63.5-10.3000115.8R379D3-R379 IonicContact OD2-NH2 3.78Å
4D70.3Confident82.5Confident69 Ų6979.9 Ų79.937%0.36943%0.428SS..THydrogen-bonded Turntrans-115.314.1-176.5-66.7-19.8000112.3E2 R379E2-D4 VanDerWaalsContact C-N 3.31Å; E2-D4 PolarHBondContact O-N 2.94Å; D4-R379 IonicContact OD1-CZ 3.23Å; D4-R379 IonicContact OD1-NE 3.36Å; D4-R379 PolarHBondContact OD1-NE 2.87Å; D4-R379 IonicContact OD1-NH2 3.75Å; D4-R379 PolarHBondContact OD1-NH2 3.4Å; D4-R379 WeakPolarHBondContact OD2-CD 3.3Å; D4-R379 WeakPolarHBondContact OD2-CG 3.41Å; D4-R379 IonicContact OD2-NE 2.83Å; D4-R379 PolarHBondContact OD2-NE 3.02Å
5A85.4Confident83.4Confident48 Ų4874.5 Ų74.540%0.39740%0.4SS..  trans-66139.1177.600000111.2R376A5-R376 PolarHBondContact O-NH1 2.87Å
6P91.9Very high84.2Confident46 Ų4673.1 Ų73.130%0.29939%0.387SS..  trans-60.8146.6173.123.7-32.4000111.1E345 V373 I374 N375P6-E345 HydrophobicContact CG-CG 4.19Å; P6-V373 HydrophobicContact CB-CG1 3.77Å; P6-I374 WeakPolarHBondContact CA-O 3.2Å; P6-N375 WeakPolarHBondContact CB-OD1 3.02Å
7V96Very high85Confident20 Ų2069.1 Ų69.112%0.12137%0.367CS..EExtended strand (participates in β ladder)trans-105.2130.5171.2-172.70000109.3F48 N53 I55 V373 I374V7-F48 HydrophobicContact CB-CE2 3.92Å; V7-F48 HydrophobicContact CG1-CE2 4.28Å; V7-F48 HydrophobicContact CG2-CE2 3.67Å; V7-F48 HydrophobicContact CG2-CZ 3.96Å; V7-N53 HydrophobicContact CG2-CB 4.48Å; V7-N53 VanDerWaalsContact CG2-ND2 3.29Å; V7-N53 WeakPolarHBondContact CG2-ND2 3.33Å; V7-N53 WeakPolarHBondContact CG2-OD1 3.19Å; V7-I55 HydrophobicContact CB-CD1 4.29Å; V7-I55 HydrophobicContact CG1-CD1 3.52Å; V7-I55 HydrophobicContact CG1-CG1 3.84Å; V7-V373 WeakPolarHBondContact O-CA 3.46Å; V7-I374 PolarHBondContact N-O 2.81Å; V7-I374 PolarHBondContact O-N 3.19Å
8I96.5Very high85.7Confident76 Ų7665.8 Ų65.839%0.3935%0.349SS..EExtended strand (participates in β ladder)trans-113.8130.1-173.6-53.9-176.3000109.1R371 L372 V373I8-R371 HydrophobicContact CG2-CG 3.71Å; I8-L372 WeakPolarHBondContact CA-O 3.31Å; I8-V373 HydrophobicContact CG1-CG1 4.29Å; I8-V373 HydrophobicContact CG1-CG2 4.25Å; I8-V373 HydrophobicContact CG2-CG2 4.47Å
9Y97.1Very high86.4Confident21 Ų2163.3 Ų63.38%0.08234%0.337CS..EExtended strand (participates in β ladder)trans-122.2122.7172.3174.4-107.1000109.9L11 H44 I46 I55 K57 L372Y9-L11 HydrophobicContact CD1-CD1 3.81Å; Y9-L11 HydrophobicContact CD1-CG 4.4Å; Y9-L11 HydrophobicContact CE1-CD1 3.74Å; Y9-L11 HydrophobicContact CE1-CG 3.81Å; Y9-H44 AromaticContact CE1-ND1 3.82Å; Y9-H44 AromaticContact CZ-ND1 3.79Å; Y9-H44 PolarHBondContact OH-CE1 2.82Å; Y9-H44 VanDerWaalsContact OH-CE1 3.25Å; Y9-H44 PolarHBondContact OH-ND1 2.89Å; Y9-I46 HydrophobicContact CD1-CD1 3.61Å; Y9-I46 HydrophobicContact CD1-CG1 4.4Å; Y9-I46 HydrophobicContact CE1-CD1 3.53Å; Y9-I46 HydrophobicContact CG-CD1 4.26Å; Y9-I55 HydrophobicContact CD2-CG2 4.42Å; Y9-K57 HydrophobicContact CD2-CD 4.42Å; Y9-K57 HydrophobicContact CE2-CD 3.35Å; Y9-K57 VanDerWaalsContact OH-CD 3.26Å; Y9-K57 WeakPolarHBondContact OH-CD 3.42Å; Y9-K57 PolarHBondContact OH-NZ 3.04Å; Y9-K57 VanDerWaalsContact OH-NZ 3.17Å; Y9-L372 HydrophobicContact CD1-CB 4.37Å; Y9-L372 HydrophobicContact CD1-CD2 4.29Å; Y9-L372 PolarHBondContact N-O 3.23Å; Y9-L372 PolarHBondContact O-N 2.83Å
10G96.5Very high86.9Confident51 Ų5160.5 Ų60.553%0.52632%0.323SS..EExtended strand (participates in β ladder)trans-94.2124175.700000111.3
11L94.9Very high87.3Confident16 Ų1657.6 Ų57.68%0.08431%0.307CS..  trans-79156.4167.8-72.284.4000110.5Y9 F13 A15 V32 T34 H44 L366 G370 L372Y9-L11 HydrophobicContact CD1-CD1 3.81Å; Y9-L11 HydrophobicContact CD1-CG 4.4Å; Y9-L11 HydrophobicContact CE1-CD1 3.74Å; Y9-L11 HydrophobicContact CE1-CG 3.81Å; L11-F13 VanDerWaalsContact C-N 3.32Å; L11-A15 HydrophobicContact CD2-CB 4.02Å; L11-V32 HydrophobicContact CD1-CG1 4.16Å; L11-V32 HydrophobicContact CD2-CB 4.06Å; L11-V32 HydrophobicContact CD2-CG1 3.42Å; L11-V32 VanDerWaalsContact CD2-CG1 3.42Å; L11-V32 HydrophobicContact CG-CG1 4.47Å; L11-T34 HydrophobicContact CD2-CG2 3.98Å; L11-H44 VanDerWaalsContact CD2-CD2 3.43Å; L11-H44 WeakPolarHBondContact CD2-CD2 3.48Å; L11-L366 HydrophobicContact CD1-CD1 4.27Å; L11-G370 WeakPolarHBondContact CB-O 3.37Å; L11-G370 WeakPolarHBondContact CD1-O 3.36Å; L11-G370 PolarHBondContact N-O 2.91Å; L11-L372 HydrophobicContact CD1-CB 4.22Å
12E91.4Very high89.7Confident139 Ų13949.1 Ų49.165%0.6527%0.269SS*.SBendtrans-76.1-23.8176.7-64.2-178.7-175.900112.6
13F95.1Very high91.8Very high29 Ų2942.5 Ų42.513%0.12724%0.244CC..SBendtrans-126.7159.5-174.8-55.9-50.9000111.4L11 T34 F39 Q42L11-F13 VanDerWaalsContact C-N 3.32Å; F13-T34 HydrophobicContact CB-CG2 4.01Å; F13-T34 HydrophobicContact CD2-CG2 4.23Å; F13-F39 HydrophobicContact CD1-CD2 4.22Å; F13-F39 HydrophobicContact CE1-CB 4.14Å; F13-F39 AromaticContact CE1-CD2 3.44Å; F13-F39 HydrophobicContact CE1-CD2 3.44Å; F13-F39 VanDerWaalsContact CE1-CD2 3.44Å; F13-F39 HydrophobicContact CE1-CE2 4.11Å; F13-F39 AromaticContact CE1-CG 3.99Å; F13-F39 HydrophobicContact CE1-CG 3.99Å; F13-F39 HydrophobicContact CE2-CB 4.39Å; F13-F39 HydrophobicContact CZ-CB 3.82Å; F13-F39 AromaticContact CZ-CD2 3.96Å; F13-F39 HydrophobicContact CZ-CD2 3.96Å; F13-F39 HydrophobicContact CZ-CG 4.02Å; F13-Q42 HydrophobicContact CE2-CG 4.44Å
14Q97Very high93.4Very high83 Ų8339 Ų3939%0.38823%0.225SC..  trans-56.8144.5173-66.479.21100110.7T34 Q35 Y368Q14-T34 CarbonylContact O-C 3.58Å; Q14-T34 WeakPolarHBondContact O-CA 3.28Å; Q14-Q35 PolarHBondContact O-N 3.48Å; Q14-Y368 CarbonylContact C-O 3.55Å; Q14-Y368 WeakPolarHBondContact CA-O 3.34Å; Q14-Y368 HydrophobicContact CB-CD2 4.19Å; Q14-Y368 HydrophobicContact CB-CE1 4.46Å; Q14-Y368 HydrophobicContact CB-CE2 3.79Å; Q14-Y368 WeakPolarHBondContact CB-O 3.27Å; Q14-Y368 HydrophobicContact CG-CD1 4.3Å; Q14-Y368 HydrophobicContact CG-CE1 3.88Å; Q14-Y368 HydrophobicContact CG-CE2 4.12Å; Q14-Y368 WeakPolarHBondContact CG-O 3.39Å
15A97Very high94.1Very high0 Ų040.3 Ų40.30%024%0.235CC..EExtended strand (participates in β ladder)trans-146.6151.3-177.400000111.2L11 V32 G33 L366 Y368L11-A15 HydrophobicContact CD2-CB 4.02Å; A15-V32 HydrophobicContact CB-CG1 3.84Å; A15-G33 WeakPolarHBondContact CB-O 3.13Å; A15-L366 HydrophobicContact CB-CD1 4.15Å; A15-L366 HydrophobicContact CB-CD2 3.92Å; A15-L366 HydrophobicContact CB-CG 4.38Å; A15-Y368 PolarHBondContact N-O 3.41Å; A15-Y368 VanDerWaalsContact N-O 3.11Å; A15-Y368 WeakPolarHBondContact O-CA 3.4Å
16R95.8Very high94.3Very high51 Ų5144.7 Ų44.719%0.19225%0.252CS..EExtended strand (participates in β ladder)trans-142.9-18.5177.5-57.2-178.267.6145.9-13.7113.1Y351 Y368R16-Y351 HydrophobicContact CB-CD2 4.19Å; R16-Y351 HydrophobicContact CB-CG 4.22Å; R16-Y351 HydrophobicContact CG-CD2 3.47Å; R16-Y351 VanDerWaalsContact CG-CD2 3.47Å; R16-Y351 HydrophobicContact CG-CE2 3.89Å; R16-Y351 HydrophobicContact CG-CG 3.94Å; R16-Y351 VanDerWaalsContact CZ-CD1 3.44Å; R16-Y351 VanDerWaalsContact CZ-CE2 3.41Å; R16-Y351 PolarHBondContact NH1-OH 3.21Å; R16-Y351 VanDerWaalsContact NH2-CZ 3.29Å; R16-Y368 HydrophobicContact CG-CD2 3.82Å; R16-Y368 HydrophobicContact CG-CE2 4.24Å
17A97.4Very high94.3Very high6 Ų643.7 Ų43.75%0.0525%0.248CC..EExtended strand (participates in β ladder)trans-97.2116.4-175.100000109.2V32 G33 I67 I70A17-V32 WeakPolarHBondContact O-CA 3.42Å; A17-G33 PolarHBondContact O-N 2.85Å; A17-I67 HydrophobicContact CB-CG2 3.88Å; A17-I70 HydrophobicContact CB-CB 4.2Å; A17-I70 HydrophobicContact CB-CG2 3.72Å
18L98.5Very high94.3Very high9 Ų943.8 Ų43.85%0.04725%0.247CC..EExtended strand (participates in β ladder)trans-130.7137.1178172.366.2000108.5F30 L31 V32 A352 E354 A364 L366 L372L18-F30 HydrophobicContact CD1-CB 4.04Å; L18-F30 HydrophobicContact CD1-CD1 4.3Å; L18-F30 HydrophobicContact CD1-CG 4.49Å; L18-L31 WeakPolarHBondContact CA-O 3.35Å; L18-V32 HydrophobicContact CD1-CG2 3.78Å; L18-A352 HydrophobicContact CB-CB 3.68Å; L18-A352 HydrophobicContact CD2-CB 4.27Å; L18-E354 HydrophobicContact CD2-CB 4.16Å; L18-E354 HydrophobicContact CD2-CG 4.26Å; L18-E354 HydrophobicContact CG-CB 4.21Å; L18-E354 HydrophobicContact CG-CG 4.02Å; L18-A364 HydrophobicContact CD2-CB 4.16Å; L18-L366 HydrophobicContact CB-CB 4.29Å; L18-L366 HydrophobicContact CB-CD2 4.05Å; L18-L366 HydrophobicContact CD2-CB 4.14Å; L18-L372 HydrophobicContact CD1-CD1 3.9Å; L18-L372 HydrophobicContact CD2-CD1 4.32Å
19T98.3Very high94.3Very high19 Ų1940.6 Ų40.612%0.11723%0.23CC..EExtended strand (participates in β ladder)trans-147.1146.8171-166.40000110.2F30 L31 I70 A72T19-F30 CarbonylContact O-C 3.59Å; T19-F30 WeakPolarHBondContact O-CA 3.35Å; T19-L31 HydrophobicContact CG2-CB 3.9Å; T19-L31 HydrophobicContact CG2-CD1 4.13Å; T19-L31 HydrophobicContact CG2-CG 4.26Å; T19-L31 PolarHBondContact N-O 2.99Å; T19-L31 PolarHBondContact O-N 3.24Å; T19-I70 HydrophobicContact CG2-CB 4.45Å; T19-I70 HydrophobicContact CG2-CD1 4.47Å; T19-I70 HydrophobicContact CG2-CG1 4.09Å; T19-I70 HydrophobicContact CG2-CG2 3.8Å; T19-A72 HydrophobicContact CG2-CB 4.21Å
20A97.4Very high94.4Very high7 Ų739.6 Ų39.66%0.05823%0.226CC..EExtended strand (participates in β ladder)trans-80147.1168.100000110.3T22 F30 W355A20-T22 PolarHBondContact O-N 3.38Å; A20-F30 HydrophobicContact CB-CD1 4.07Å; A20-F30 HydrophobicContact CB-CE1 4.08Å; A20-W355 VanDerWaalsContact CB-O 3.27Å; A20-W355 WeakPolarHBondContact CB-O 3.35Å
21Q94.9Very high94.5Very high0 Ų037.1 Ų37.10%020%0.201CC..  trans-79.3109173.4178.452.6102.900109.9A23 E24 R29 A72 S73 K77 S357Q21-A23 VanDerWaalsContact NE2-N 3.19Å; Q21-E24 HydrophobicContact CG-CB 4.49Å; Q21-R29 HydrophobicContact CB-CB 3.98Å; Q21-R29 HydrophobicContact CB-CG 3.82Å; Q21-R29 HydrophobicContact CG-CG 4.45Å; Q21-R29 PolarHBondContact N-O 2.91Å; Q21-A72 VanDerWaalsContact NE2-CB 3.3Å; Q21-S73 PolarHBondContact NE2-O 3.1Å; Q21-K77 HydrophobicContact CG-CB 4.41Å; Q21-K77 PolarHBondContact OE1-O 3.36Å; Q21-S357 WeakPolarHBondContact O-CB 3.26Å; Q21-S357 PolarHBondContact O-OG 2.86Å
22T91.7Very high94.6Very high63 Ų6336.4 Ų36.439%0.38720%0.197SC..  trans-84.8-29.4-174.447.90000115.9A20 E24 S73 P74A20-T22 PolarHBondContact O-N 3.38Å; T22-E24 VanDerWaalsContact C-N 3.31Å; T22-E24 PolarHBondContact O-N 3.25Å; T22-S73 PolarHBondContact OG1-O 3.1Å; T22-P74 WeakPolarHBondContact OG1-CA 3.35Å
23A91Very high94.9Very high35 Ų3529.8 Ų29.829%0.28917%0.166SC..SBendtrans-68.4-24-179.900000115.1Q21 S73 P74 K77Q21-A23 VanDerWaalsContact NE2-N 3.19Å; A23-S73 WeakPolarHBondContact CB-O 3.39Å; A23-P74 WeakPolarHBondContact CA-O 3.43Å; A23-K77 HydrophobicContact CB-CB 4.14Å
24E87.6Confident95Very high31 Ų3128.4 Ų28.415%0.14516%0.16CC..  trans-115.6118.6178.9-169.5166.9-125.600108.1Q21 T22 D26 A27 R29 K77Q21-E24 HydrophobicContact CG-CB 4.49Å; T22-E24 VanDerWaalsContact C-N 3.31Å; T22-E24 PolarHBondContact O-N 3.25Å; E24-D26 WeakPolarHBondContact CG-OD1 3.49Å; E24-A27 HydrophobicContact CG-CB 4.27Å; E24-R29 IonicContact OE2-CZ 3.16Å; E24-R29 IonicContact OE2-NH1 3.44Å; E24-R29 PolarHBondContact OE2-NH1 3.37Å; E24-K77 HydrophobicContact CB-CB 4.26Å; E24-K77 HydrophobicContact CB-CD 4.3Å; E24-K77 HydrophobicContact CG-CD 4.44Å; E24-K77 WeakPolarHBondContact OE1-CD 3.47Å; E24-K77 IonicContact OE1-NZ 3.69Å; E24-K77 PolarHBondContact OE1-NZ 3.04Å; E24-K77 WeakPolarHBondContact OE2-CD 3.48Å; E24-K77 IonicContact OE2-NZ 2.92Å
25T85.1Confident94.9Very high97 Ų9724.8 Ų24.860%0.59514%0.144SC*.SBendtrans-111.1-2-168.751.50000113.2A358T25-A358 VanDerWaalsContact O-CA 3.25Å; T25-A358 WeakPolarHBondContact O-CA 3.45Å; T25-A358 WeakPolarHBondContact O-CB 3.46Å
26D89.6Confident94.7Very high139 Ų13925.2 Ų25.274%0.74315%0.147SC*.SBendtrans-96.9-14.7175.456.9-31.7000113E24E24-D26 WeakPolarHBondContact CG-OD1 3.49Å
27A92.1Very high94.3Very high26 Ų2629.6 Ų29.622%0.21517%0.173CC..SBendtrans-113.4130.117700000111.8E24 R29 A358E24-A27 HydrophobicContact CG-CB 4.27Å; A27-R29 PolarHBondContact O-N 3.35Å; A27-A358 WeakPolarHBondContact O-CB 3.3Å
28I96.1Very high93.8Very high21 Ų2138.1 Ų38.111%0.10821%0.209CC..EExtended strand (participates in β ladder)trans-78.294.2172.3-59.7149.5000108F30 F48 D50 A358 D359 L362I28-F30 HydrophobicContact CG2-CD2 4.48Å; I28-F30 HydrophobicContact CG2-CE2 3.75Å; I28-F30 HydrophobicContact CG2-CZ 4.4Å; I28-F48 HydrophobicContact CB-CB 4.17Å; I28-F48 HydrophobicContact CD1-CD1 4.34Å; I28-F48 HydrophobicContact CG2-CB 3.83Å; I28-F48 HydrophobicContact CG2-CD1 4.16Å; I28-F48 HydrophobicContact CG2-CG 4.48Å; I28-F48 PolarHBondContact O-N 3.31Å; I28-D50 HydrophobicContact CD1-CB 3.88Å; I28-A358 HydrophobicContact CG1-CB 3.99Å; I28-D359 HydrophobicContact CD1-CB 4.42Å; I28-D359 HydrophobicContact CG1-CB 4.36Å; I28-L362 HydrophobicContact CD1-CD1 3.37Å; I28-L362 HydrophobicContact CG1-CD1 4.11Å; I28-L362 HydrophobicContact CG2-CD1 4.39Å
29R96.8Very high93.3Very high9 Ų943.7 Ų43.73%0.03423%0.233CC..EExtended strand (participates in β ladder)trans-125.3127.3-172.4178.7173.1-77.6170-12.6111.8Q21 E24 A27 I45 I46 D47 W105 D106Q21-R29 HydrophobicContact CB-CB 3.98Å; Q21-R29 HydrophobicContact CB-CG 3.82Å; Q21-R29 HydrophobicContact CG-CG 4.45Å; Q21-R29 PolarHBondContact N-O 2.91Å; E24-R29 IonicContact OE2-CZ 3.16Å; E24-R29 IonicContact OE2-NH1 3.44Å; E24-R29 PolarHBondContact OE2-NH1 3.37Å; A27-R29 PolarHBondContact O-N 3.35Å; R29-I45 HydrophobicContact CG-CG2 4.01Å; R29-I46 CarbonylContact C-O 3.53Å; R29-I46 WeakPolarHBondContact CA-O 3.37Å; R29-D47 WeakPolarHBondContact CB-OD1 3.45Å; R29-D47 WeakPolarHBondContact CG-OD1 3.39Å; R29-D47 IonicContact CZ-OD1 2.72Å; R29-D47 VanDerWaalsContact CZ-OD1 3.26Å; R29-D47 IonicContact CZ-OD2 3.67Å; R29-D47 IonicContact NE-OD1 2.69Å; R29-D47 PolarHBondContact NE-OD1 3.23Å; R29-D47 IonicContact NE-OD2 2.72Å; R29-D47 VanDerWaalsContact NH2-CG 3.28Å; R29-D47 IonicContact NH2-OD1 3.48Å; R29-D47 PolarHBondContact NH2-OD1 3.18Å; R29-D47 VanDerWaalsContact NH2-OD1 3.15Å; R29-D47 IonicContact NH2-OD2 3.7Å; R29-D47 PolarHBondContact NH2-OD2 2.58Å; R29-W105 VanDerWaalsContact CZ-CZ3 3.45Å; R29-D106 IonicContact CZ-OD1 2.69Å; R29-D106 IonicContact NH1-OD1 2.72Å; R29-D106 PolarHBondContact NH1-OD1 2.98Å; R29-D106 IonicContact NH1-OD2 3.74Å; R29-D106 IonicContact NH2-OD1 3.5Å; R29-D106 PolarHBondContact NH2-OD1 3.23Å
30F98.1Very high92.9Very high0 Ų046.6 Ų46.60%025%0.248CC..EExtended strand (participates in β ladder)trans-119.1146.2174.9-61-81.5000110.9L18 T19 A20 I28 I46 A364 I374L18-F30 HydrophobicContact CD1-CB 4.04Å; L18-F30 HydrophobicContact CD1-CD1 4.3Å; L18-F30 HydrophobicContact CD1-CG 4.49Å; T19-F30 CarbonylContact O-C 3.59Å; T19-F30 WeakPolarHBondContact O-CA 3.35Å; A20-F30 HydrophobicContact CB-CD1 4.07Å; A20-F30 HydrophobicContact CB-CE1 4.08Å; I28-F30 HydrophobicContact CG2-CD2 4.48Å; I28-F30 HydrophobicContact CG2-CE2 3.75Å; I28-F30 HydrophobicContact CG2-CZ 4.4Å; F30-I46 HydrophobicContact CB-CB 4.39Å; F30-I46 PolarHBondContact N-O 3.38Å; F30-I46 PolarHBondContact O-N 3.33Å; F30-A364 HydrophobicContact CD1-CB 3.92Å; F30-A364 HydrophobicContact CD2-CB 4.13Å; F30-A364 HydrophobicContact CE1-CB 3.74Å; F30-A364 HydrophobicContact CE2-CB 3.96Å; F30-A364 HydrophobicContact CG-CB 4.11Å; F30-A364 HydrophobicContact CZ-CB 3.76Å; F30-I374 HydrophobicContact CD2-CD1 4.21Å; F30-I374 HydrophobicContact CE2-CD1 4.28Å
31L98.2Very high92.8Very high0 Ų046.6 Ų46.60%025%0.247CC..EExtended strand (participates in β ladder)trans-114.2130.6175.1-48.3179.8000109.5L18 T19 I43 H44 I45 I70 A72 L80 M101L18-L31 WeakPolarHBondContact CA-O 3.35Å; T19-L31 HydrophobicContact CG2-CB 3.9Å; T19-L31 HydrophobicContact CG2-CD1 4.13Å; T19-L31 HydrophobicContact CG2-CG 4.26Å; T19-L31 PolarHBondContact N-O 2.99Å; T19-L31 PolarHBondContact O-N 3.24Å; L31-I43 HydrophobicContact CB-CG2 4.36Å; L31-H44 CarbonylContact C-O 3.55Å; L31-H44 WeakPolarHBondContact CA-O 3.43Å; L31-I45 HydrophobicContact CD2-CB 4.09Å; L31-I45 HydrophobicContact CD2-CG1 3.75Å; L31-I45 HydrophobicContact CD2-CG2 3.85Å; L31-I70 HydrophobicContact CB-CD1 3.8Å; L31-I70 HydrophobicContact CD1-CD1 4.4Å; L31-A72 HydrophobicContact CD1-CB 4.06Å; L31-L80 HydrophobicContact CD1-CD2 4.37Å; L31-M101 HydrophobicContact CD1-CE 3.71Å; L31-M101 HydrophobicContact CD2-CE 3.82Å; L31-M101 HydrophobicContact CG-CE 4.45Å
32V98.4Very high92.9Very high0 Ų047.9 Ų47.90%025%0.253CS..EExtended strand (participates in β ladder)trans-123.7124.8179.7-175.20000110.9L11 A15 A17 L18 I43 H44 L366 L372L11-V32 HydrophobicContact CD1-CG1 4.16Å; L11-V32 HydrophobicContact CD2-CB 4.06Å; L11-V32 HydrophobicContact CD2-CG1 3.42Å; L11-V32 VanDerWaalsContact CD2-CG1 3.42Å; L11-V32 HydrophobicContact CG-CG1 4.47Å; A15-V32 HydrophobicContact CB-CG1 3.84Å; A17-V32 WeakPolarHBondContact O-CA 3.42Å; L18-V32 HydrophobicContact CD1-CG2 3.78Å; V32-I43 CarbonylContact O-C 3.51Å; V32-I43 VanDerWaalsContact O-CA 3.31Å; V32-I43 WeakPolarHBondContact O-CA 3.34Å; V32-H44 HydrophobicContact CB-CB 4.35Å; V32-H44 PolarHBondContact N-O 3.06Å; V32-H44 PolarHBondContact O-N 2.71Å; V32-L366 HydrophobicContact CG1-CD1 3.93Å; V32-L366 HydrophobicContact CG1-CD2 3.63Å; V32-L366 HydrophobicContact CG1-CG 4.44Å; V32-L372 HydrophobicContact CG2-CD1 4.1Å; V32-L372 HydrophobicContact CG2-CD2 4.13Å
33G97.8Very high93.1Very high0 Ų044.9 Ų44.90%023%0.234CC..EExtended strand (participates in β ladder)trans-100.7132.8176.900000113.1A15 A17A15-G33 WeakPolarHBondContact CB-O 3.13Å; A17-G33 PolarHBondContact O-N 2.85Å
34T97.3Very high93.4Very high0 Ų043.3 Ų43.30%022%0.221CC..EExtended strand (participates in β ladder)trans-86.2164.817969.70000113.5L11 F13 Q14 N41 Q42 I67L11-T34 HydrophobicContact CD2-CG2 3.98Å; F13-T34 HydrophobicContact CB-CG2 4.01Å; F13-T34 HydrophobicContact CD2-CG2 4.23Å; Q14-T34 CarbonylContact O-C 3.58Å; Q14-T34 WeakPolarHBondContact O-CA 3.28Å; T34-N41 PolarHBondContact O-OD1 3.41Å; T34-N41 WeakPolarHBondContact OG1-CA 3.33Å; T34-N41 PolarHBondContact OG1-OD1 2.93Å; T34-Q42 HydrophobicContact CG2-CB 4.05Å; T34-Q42 PolarHBondContact N-O 3.1Å; T34-Q42 PolarHBondContact OG1-N 3.23Å; T34-Q42 PolarHBondContact OG1-O 3.08Å; T34-I67 PolarHBondContact O-N 3.2Å
35Q94.9Very high93.8Very high8 Ų841.8 Ų41.84%0.03721%0.214CC..  trans-134.754.7-178.3-63.7-172.4-19.900112.5Q14 N41 E66 I67Q14-Q35 PolarHBondContact O-N 3.48Å; Q35-N41 WeakPolarHBondContact CA-OD1 3.44Å; Q35-N41 PolarHBondContact N-OD1 2.84Å; Q35-E66 HydrophobicContact CB-CB 4.41Å; Q35-I67 WeakPolarHBondContact CG-O 3.34Å; Q35-I67 PolarHBondContact NE2-O 3.19Å
36S92.1Very high94.4Very high9 Ų937.2 Ų37.26%0.06319%0.186CC..  trans-82.5129.1172.9-173.70000111.3K38 F39 N41S36-K38 PolarHBondContact OG-N 3Å; S36-F39 WeakPolarHBondContact OG-CB 3.34Å; S36-F39 WeakPolarHBondContact OG-CD2 3.48Å; S36-F39 PolarHBondContact OG-N 3.19Å; S36-N41 PolarHBondContact N-OD1 2.86Å; S36-N41 PolarHBondContact O-ND2 3.01Å
37L87.8Confident94.6Very high143 Ų14332.2 Ų32.275%0.74916%0.159SC*.SBendtrans-83.7-13.7169.7-71.9170.1000113.2E66L37-E66 HydrophobicContact CD2-CG 4.24Å; L37-E66 WeakPolarHBondContact CD2-OE1 3.11Å; L37-E66 WeakPolarHBondContact CD2-OE2 3.46Å; L37-E66 WeakPolarHBondContact CG-OE1 3.38Å
38K86.9Confident94.8Very high185 Ų18531.5 Ų31.580%0.80415%0.151SC*.SBendtrans-111.9-28-169.4-66.2-179.2-177.51730113.5S36S36-K38 PolarHBondContact OG-N 3Å
39F88.2Confident94.7Very high126 Ų12632.9 Ų32.955%0.55316%0.159SC*.SBendtrans-123.1160.4-173.6-56.2-71.6000109.6F13 S36 N41F13-F39 HydrophobicContact CD1-CD2 4.22Å; F13-F39 HydrophobicContact CE1-CB 4.14Å; F13-F39 AromaticContact CE1-CD2 3.44Å; F13-F39 HydrophobicContact CE1-CD2 3.44Å; F13-F39 VanDerWaalsContact CE1-CD2 3.44Å; F13-F39 HydrophobicContact CE1-CE2 4.11Å; F13-F39 AromaticContact CE1-CG 3.99Å; F13-F39 HydrophobicContact CE1-CG 3.99Å; F13-F39 HydrophobicContact CE2-CB 4.39Å; F13-F39 HydrophobicContact CZ-CB 3.82Å; F13-F39 AromaticContact CZ-CD2 3.96Å; F13-F39 HydrophobicContact CZ-CD2 3.96Å; F13-F39 HydrophobicContact CZ-CG 4.02Å; S36-F39 WeakPolarHBondContact OG-CB 3.34Å; S36-F39 WeakPolarHBondContact OG-CD2 3.48Å; S36-F39 PolarHBondContact OG-N 3.19Å; F39-N41 PolarHBondContact O-N 2.79Å
40D89.3Confident94.5Very high80 Ų8035.3 Ų35.343%0.42817%0.173SC..  trans-56.2132.6170.3-76.2-5.9000109Q63D40-Q63 PolarHBondContact OD2-NE2 3.23Å; D40-Q63 VanDerWaalsContact OD2-NE2 3.13Å
41N95.1Very high94.1Very high7 Ų744.1 Ų44.14%0.03721%0.214CC..EExtended strand (participates in β ladder)trans-76161.1178.5-78.2-78.1000110.5T34 Q35 S36 F39 H62 G65 E66T34-N41 PolarHBondContact O-OD1 3.41Å; T34-N41 WeakPolarHBondContact OG1-CA 3.33Å; T34-N41 PolarHBondContact OG1-OD1 2.93Å; Q35-N41 WeakPolarHBondContact CA-OD1 3.44Å; Q35-N41 PolarHBondContact N-OD1 2.84Å; S36-N41 PolarHBondContact N-OD1 2.86Å; S36-N41 PolarHBondContact O-ND2 3.01Å; F39-N41 PolarHBondContact O-N 2.79Å; N41-H62 HydrophobicContact CB-CB 4.43Å; N41-H62 WeakPolarHBondContact CB-O 3.41Å; N41-H62 CarbonylContact O-C 3.6Å; N41-H62 WeakPolarHBondContact O-CA 3.43Å; N41-H62 PolarHBondContact O-N 3.29Å; N41-G65 VanDerWaalsContact CB-O 3.3Å; N41-G65 WeakPolarHBondContact CB-O 3.42Å; N41-G65 VanDerWaalsContact ND2-C 3.34Å; N41-G65 PolarHBondContact ND2-O 2.88Å; N41-E66 WeakPolarHBondContact ND2-CA 3.03Å; N41-E66 PolarHBondContact ND2-N 3.29Å
42Q96.1Very high93.7Very high26 Ų2648.8 Ų48.812%0.12124%0.239CC..EExtended strand (participates in β ladder)trans-135.3149.6-170.4-64.3174.3-7.200110.3F13 T34 H44 V59 L60 L61 I67F13-Q42 HydrophobicContact CE2-CG 4.44Å; T34-Q42 HydrophobicContact CG2-CB 4.05Å; T34-Q42 PolarHBondContact N-O 3.1Å; T34-Q42 PolarHBondContact OG1-N 3.23Å; T34-Q42 PolarHBondContact OG1-O 3.08Å; Q42-H44 PolarHBondContact OE1-NE2 3.25Å; Q42-V59 HydrophobicContact CB-CG1 3.79Å; Q42-V59 HydrophobicContact CG-CG1 3.91Å; Q42-L60 CarbonylContact C-O 3.48Å; Q42-L60 VanDerWaalsContact CA-O 3.26Å; Q42-L60 WeakPolarHBondContact CA-O 3.36Å; Q42-L61 HydrophobicContact CG-CD2 4.27Å; Q42-I67 WeakPolarHBondContact O-CD1 3.33Å
43I96.9Very high93.4Very high0 Ų051.6 Ų51.60%025%0.254CS..EExtended strand (participates in β ladder)trans-110.3115.8162.8-60.3-172.6000107.2L31 V32 L60 H62 I67 I70 L80 T82 L123L31-I43 HydrophobicContact CB-CG2 4.36Å; V32-I43 CarbonylContact O-C 3.51Å; V32-I43 VanDerWaalsContact O-CA 3.31Å; V32-I43 WeakPolarHBondContact O-CA 3.34Å; I43-L60 PolarHBondContact N-O 3.1Å; I43-L60 PolarHBondContact O-N 2.6Å; I43-H62 HydrophobicContact CG1-CB 4.38Å; I43-I67 HydrophobicContact CD1-CD1 4.21Å; I43-I67 HydrophobicContact CG1-CD1 3.58Å; I43-I70 HydrophobicContact CD1-CD1 3.85Å; I43-I70 HydrophobicContact CG1-CD1 4.37Å; I43-I70 HydrophobicContact CG2-CD1 3.97Å; I43-L80 HydrophobicContact CD1-CD1 3.79Å; I43-L80 HydrophobicContact CD1-CD2 4.04Å; I43-T82 HydrophobicContact CD1-CG2 4.17Å; I43-L123 HydrophobicContact CD1-CD1 3.46Å; I43-L123 VanDerWaalsContact CD1-CD1 3.46Å; I43-L123 HydrophobicContact CG1-CD1 4.12Å
44H97Very high93.1Very high2 Ų255.7 Ų55.71%0.00928%0.275CS..EExtended strand (participates in β ladder)trans-86.8123.9170.2-66.6-107.2000108.9Y9 L11 L31 V32 Q42 I46 N58 V59Y9-H44 AromaticContact CE1-ND1 3.82Å; Y9-H44 AromaticContact CZ-ND1 3.79Å; Y9-H44 PolarHBondContact OH-CE1 2.82Å; Y9-H44 VanDerWaalsContact OH-CE1 3.25Å; Y9-H44 PolarHBondContact OH-ND1 2.89Å; L11-H44 VanDerWaalsContact CD2-CD2 3.43Å; L11-H44 WeakPolarHBondContact CD2-CD2 3.48Å; L31-H44 CarbonylContact C-O 3.55Å; L31-H44 WeakPolarHBondContact CA-O 3.43Å; V32-H44 HydrophobicContact CB-CB 4.35Å; V32-H44 PolarHBondContact N-O 3.06Å; V32-H44 PolarHBondContact O-N 2.71Å; Q42-H44 PolarHBondContact OE1-NE2 3.25Å; H44-I46 HydrophobicContact CB-CD1 3.96Å; H44-I46 HydrophobicContact CB-CG1 4.32Å; H44-N58 CarbonylContact C-O 3.55Å; H44-N58 WeakPolarHBondContact CA-O 3.22Å; H44-V59 WeakPolarHBondContact ND1-CG2 3.43Å
45I96.3Very high92.9Very high0 Ų057.3 Ų57.30%028%0.283CS..EExtended strand (participates in β ladder)trans-96.5118170-54.9160.4000106.5R29 L31 K57 N58 L60 M101 W105R29-I45 HydrophobicContact CG-CG2 4.01Å; L31-I45 HydrophobicContact CD2-CB 4.09Å; L31-I45 HydrophobicContact CD2-CG1 3.75Å; L31-I45 HydrophobicContact CD2-CG2 3.85Å; I45-K57 CarbonylContact O-C 3.54Å; I45-K57 VanDerWaalsContact O-CA 3.28Å; I45-K57 WeakPolarHBondContact O-CA 3.21Å; I45-N58 HydrophobicContact CB-CB 4.39Å; I45-N58 HydrophobicContact CD1-CB 4.44Å; I45-N58 PolarHBondContact N-O 2.79Å; I45-N58 PolarHBondContact O-N 2.72Å; I45-L60 HydrophobicContact CD1-CD1 3.71Å; I45-L60 HydrophobicContact CD1-CG 3.94Å; I45-M101 HydrophobicContact CD1-CE 4.22Å; I45-M101 HydrophobicContact CD1-SD 3.71Å; I45-M101 HydrophobicContact CG1-CE 4.3Å; I45-M101 HydrophobicContact CG1-SD 4.42Å; I45-W105 HydrophobicContact CD1-CD2 4.16Å; I45-W105 HydrophobicContact CD1-CE3 3.56Å; I45-W105 HydrophobicContact CD1-CZ3 3.87Å; I45-W105 HydrophobicContact CG2-CE3 4.39Å; I45-W105 HydrophobicContact CG2-CH2 4.31Å; I45-W105 HydrophobicContact CG2-CZ3 3.66Å
46I96.6Very high92.8Very high0 Ų059.8 Ų59.80%030%0.296CS..EExtended strand (participates in β ladder)trans-114.3108-171.7-57.1-58.2000108.1Y9 R29 F30 H44 I55 K57 L372 I374Y9-I46 HydrophobicContact CD1-CD1 3.61Å; Y9-I46 HydrophobicContact CD1-CG1 4.4Å; Y9-I46 HydrophobicContact CE1-CD1 3.53Å; Y9-I46 HydrophobicContact CG-CD1 4.26Å; R29-I46 CarbonylContact C-O 3.53Å; R29-I46 WeakPolarHBondContact CA-O 3.37Å; F30-I46 HydrophobicContact CB-CB 4.39Å; F30-I46 PolarHBondContact N-O 3.38Å; F30-I46 PolarHBondContact O-N 3.33Å; H44-I46 HydrophobicContact CB-CD1 3.96Å; H44-I46 HydrophobicContact CB-CG1 4.32Å; I46-I55 HydrophobicContact CD1-CG2 4.44Å; I46-I55 HydrophobicContact CG2-CD1 4.41Å; I46-I55 HydrophobicContact CG2-CG1 4.39Å; I46-I55 HydrophobicContact CG2-CG2 3.72Å; I46-K57 HydrophobicContact CD1-CB 3.97Å; I46-L372 HydrophobicContact CB-CD2 4.25Å; I46-L372 HydrophobicContact CG1-CD2 3.84Å; I46-L372 HydrophobicContact CG2-CD2 3.89Å; I46-I374 HydrophobicContact CG2-CD1 4.19Å
47D95.4Very high92.8Very high35 Ų3564.8 Ų64.819%0.18732%0.317CS..EExtended strand (participates in β ladder)trans-97.6119.4174-73.9-42000109.9R29 I55 N56R29-D47 WeakPolarHBondContact CB-OD1 3.45Å; R29-D47 WeakPolarHBondContact CG-OD1 3.39Å; R29-D47 IonicContact CZ-OD1 2.72Å; R29-D47 VanDerWaalsContact CZ-OD1 3.26Å; R29-D47 IonicContact CZ-OD2 3.67Å; R29-D47 IonicContact NE-OD1 2.69Å; R29-D47 PolarHBondContact NE-OD1 3.23Å; R29-D47 IonicContact NE-OD2 2.72Å; R29-D47 VanDerWaalsContact NH2-CG 3.28Å; R29-D47 IonicContact NH2-OD1 3.48Å; R29-D47 PolarHBondContact NH2-OD1 3.18Å; R29-D47 VanDerWaalsContact NH2-OD1 3.15Å; R29-D47 IonicContact NH2-OD2 3.7Å; R29-D47 PolarHBondContact NH2-OD2 2.58Å; D47-I55 WeakPolarHBondContact O-CA 3.28Å; D47-N56 HydrophobicContact CB-CB 4.17Å; D47-N56 PolarHBondContact N-O 2.81Å; D47-N56 PolarHBondContact O-N 3.37Å
48F96Very high93Very high10 Ų1060.3 Ų60.34%0.04429%0.294CS..EExtended strand (participates in β ladder)trans-101.7116-179.5-173.7-118.5000111V7 I28 D50 N53 I55 L362 I374 R376V7-F48 HydrophobicContact CB-CE2 3.92Å; V7-F48 HydrophobicContact CG1-CE2 4.28Å; V7-F48 HydrophobicContact CG2-CE2 3.67Å; V7-F48 HydrophobicContact CG2-CZ 3.96Å; I28-F48 HydrophobicContact CB-CB 4.17Å; I28-F48 HydrophobicContact CD1-CD1 4.34Å; I28-F48 HydrophobicContact CG2-CB 3.83Å; I28-F48 HydrophobicContact CG2-CD1 4.16Å; I28-F48 HydrophobicContact CG2-CG 4.48Å; I28-F48 PolarHBondContact O-N 3.31Å; F48-D50 HydrophobicContact CD1-CB 4.35Å; F48-D50 HydrophobicContact CE1-CB 4.09Å; F48-D50 PolarHBondContact O-N 2.9Å; F48-N53 WeakPolarHBondContact CZ-OD1 3.23Å; F48-I55 HydrophobicContact CD2-CG1 3.8Å; F48-I55 HydrophobicContact CE2-CG1 4.4Å; F48-L362 HydrophobicContact CD1-CD1 4.2Å; F48-L362 HydrophobicContact CD1-CD2 4.38Å; F48-L362 HydrophobicContact CE1-CD1 4.22Å; F48-L362 HydrophobicContact CE1-CD2 3.91Å; F48-I374 HydrophobicContact CB-CD1 3.9Å; F48-I374 HydrophobicContact CD1-CG2 4.02Å; F48-I374 HydrophobicContact CD2-CD1 3.88Å; F48-I374 HydrophobicContact CE1-CG2 4.02Å; F48-I374 HydrophobicContact CG-CD1 3.89Å; F48-I374 HydrophobicContact CG-CG2 4.25Å; F48-I374 HydrophobicContact CZ-CG2 4.26Å; F48-R376 VanDerWaalsContact CZ-NH2 3.25Å
49D93.8Very high93.3Very high51 Ų5153 Ų5327%0.27327%0.265SS..EExtended strand (participates in β ladder)trans-86.5100.6169.3-178.8-16.9000108.6E51 N52 N53 I54D49-E51 VanDerWaalsContact C-N 3.32Å; D49-E51 PolarHBondContact O-N 3.21Å; D49-E51 PolarHBondContact OD1-N 3.2Å; D49-E51 VanDerWaalsContact OD1-N 3.08Å; D49-N52 PolarHBondContact OD1-N 2.82Å; D49-N52 PolarHBondContact OD1-ND2 2.83Å; D49-N52 PolarHBondContact OD2-ND2 2.81Å; D49-N53 VanDerWaalsContact O-CA 3.24Å; D49-N53 WeakPolarHBondContact O-CA 3.37Å; D49-N53 PolarHBondContact O-N 2.72Å; D49-I54 PolarHBondContact N-O 2.96Å; D49-I54 PolarHBondContact O-N 3.4Å; D49-I54 VanDerWaalsContact O-N 3.17Å
50D91.3Very high93.7Very high60 Ų6047 Ų4732%0.32124%0.238SC..THydrogen-bonded Turntrans-66.6-32-178.8-172.451.6000112.5I28 F48 L362 R376I28-D50 HydrophobicContact CD1-CB 3.88Å; F48-D50 HydrophobicContact CD1-CB 4.35Å; F48-D50 HydrophobicContact CE1-CB 4.09Å; F48-D50 PolarHBondContact O-N 2.9Å; D50-L362 HydrophobicContact CB-CD1 4.31Å; D50-R376 IonicContact OD1-CZ 2.79Å; D50-R376 IonicContact OD1-NE 3.19Å; D50-R376 PolarHBondContact OD1-NE 2.84Å; D50-R376 IonicContact OD1-NH2 2.71Å; D50-R376 PolarHBondContact OD1-NH2 3.05Å
51E90.3Very high93.9Very high184 Ų18444.2 Ų44.286%0.8622%0.224SC*.THydrogen-bonded Turntrans-68.8-41.9-178.5-62.8-171.3168.100111.4D49D49-E51 VanDerWaalsContact C-N 3.32Å; D49-E51 PolarHBondContact O-N 3.21Å; D49-E51 PolarHBondContact OD1-N 3.2Å; D49-E51 VanDerWaalsContact OD1-N 3.08Å
52N90.3Very high93.9Very high99 Ų9944 Ų4453%0.52922%0.222SC..THydrogen-bonded Turntrans-97.5-7.5-178.8-62.5-67.3000113.3D49 I54D49-N52 PolarHBondContact OD1-N 2.82Å; D49-N52 PolarHBondContact OD1-ND2 2.83Å; D49-N52 PolarHBondContact OD2-ND2 2.81Å; N52-I54 VanDerWaalsContact C-N 3.28Å; N52-I54 HydrophobicContact CB-CB 4.49Å; N52-I54 HydrophobicContact CB-CD1 3.8Å; N52-I54 HydrophobicContact CB-CG1 4.04Å; N52-I54 WeakPolarHBondContact O-CG1 3.22Å; N52-I54 PolarHBondContact O-N 2.88Å
53N91.3Very high93.7Very high58 Ų5848.4 Ų48.431%0.3124%0.243SC..THydrogen-bonded Turntrans57.938.9-175.4-155.749.1000112.5V7 F48 D49 R376V7-N53 HydrophobicContact CG2-CB 4.48Å; V7-N53 VanDerWaalsContact CG2-ND2 3.29Å; V7-N53 WeakPolarHBondContact CG2-ND2 3.33Å; V7-N53 WeakPolarHBondContact CG2-OD1 3.19Å; F48-N53 WeakPolarHBondContact CZ-OD1 3.23Å; D49-N53 VanDerWaalsContact O-CA 3.24Å; D49-N53 WeakPolarHBondContact O-CA 3.37Å; D49-N53 PolarHBondContact O-N 2.72Å; N53-R376 PolarHBondContact OD1-NH1 2.62Å; N53-R376 VanDerWaalsContact OD1-NH1 3.11Å; N53-R376 PolarHBondContact OD1-NH2 3.36Å
54I92.1Very high93.4Very high86 Ų8649.8 Ų49.844%0.44125%0.254SS..EExtended strand (participates in β ladder)trans-114.3141.5-175.3-66.2171.6000109.9D49 N52D49-I54 PolarHBondContact N-O 2.96Å; D49-I54 PolarHBondContact O-N 3.4Å; D49-I54 VanDerWaalsContact O-N 3.17Å; N52-I54 VanDerWaalsContact C-N 3.28Å; N52-I54 HydrophobicContact CB-CB 4.49Å; N52-I54 HydrophobicContact CB-CD1 3.8Å; N52-I54 HydrophobicContact CB-CG1 4.04Å; N52-I54 WeakPolarHBondContact O-CG1 3.22Å; N52-I54 PolarHBondContact O-N 2.88Å
55I94.1Very high93.2Very high34 Ų3450.3 Ų50.317%0.17426%0.261CS..EExtended strand (participates in β ladder)trans-99.7122169.2-71.9172.7000109.2V7 Y9 I46 D47 F48 I374V7-I55 HydrophobicContact CB-CD1 4.29Å; V7-I55 HydrophobicContact CG1-CD1 3.52Å; V7-I55 HydrophobicContact CG1-CG1 3.84Å; Y9-I55 HydrophobicContact CD2-CG2 4.42Å; I46-I55 HydrophobicContact CD1-CG2 4.44Å; I46-I55 HydrophobicContact CG2-CD1 4.41Å; I46-I55 HydrophobicContact CG2-CG1 4.39Å; I46-I55 HydrophobicContact CG2-CG2 3.72Å; D47-I55 WeakPolarHBondContact O-CA 3.28Å; F48-I55 HydrophobicContact CD2-CG1 3.8Å; F48-I55 HydrophobicContact CE2-CG1 4.4Å; I55-I374 HydrophobicContact CD1-CD1 3.9Å; I55-I374 HydrophobicContact CG1-CD1 4.2Å
56N92.7Very high93.2Very high60 Ų6051.5 Ų51.532%0.32127%0.266SS..EExtended strand (participates in β ladder)trans-96.2140.2162.9-61.7-67.4000108.4D47D47-N56 HydrophobicContact CB-CB 4.17Å; D47-N56 PolarHBondContact N-O 2.81Å; D47-N56 PolarHBondContact O-N 3.37Å
57K91.8Very high93.2Very high114 Ų11451.5 Ų51.550%0.49627%0.266SS..EExtended strand (participates in β ladder)trans-130.2141.7-177.271.8-178-169.4172.80111.9Y9 I45 I46Y9-K57 HydrophobicContact CD2-CD 4.42Å; Y9-K57 HydrophobicContact CE2-CD 3.35Å; Y9-K57 VanDerWaalsContact OH-CD 3.26Å; Y9-K57 WeakPolarHBondContact OH-CD 3.42Å; Y9-K57 PolarHBondContact OH-NZ 3.04Å; Y9-K57 VanDerWaalsContact OH-NZ 3.17Å; I45-K57 CarbonylContact O-C 3.54Å; I45-K57 VanDerWaalsContact O-CA 3.28Å; I45-K57 WeakPolarHBondContact O-CA 3.21Å; I46-K57 HydrophobicContact CD1-CB 3.97Å
58N92.1Very high93.2Very high50 Ų5055.1 Ų55.127%0.26728%0.277SS..EExtended strand (participates in β ladder)trans-123.8148.3161.9-166.2-1.7000109.4H44 I45 W105H44-N58 CarbonylContact C-O 3.55Å; H44-N58 WeakPolarHBondContact CA-O 3.22Å; I45-N58 HydrophobicContact CB-CB 4.39Å; I45-N58 HydrophobicContact CD1-CB 4.44Å; I45-N58 PolarHBondContact N-O 2.79Å; I45-N58 PolarHBondContact O-N 2.72Å; N58-W105 PolarHBondContact ND2-O 2.89Å
59V93.6Very high93.3Very high31 Ų3157 Ų5719%0.18829%0.286CS..EExtended strand (participates in β ladder)trans-126.3119.5-176.2-173.10000109.7Q42 H44Q42-V59 HydrophobicContact CB-CG1 3.79Å; Q42-V59 HydrophobicContact CG-CG1 3.91Å; H44-V59 WeakPolarHBondContact ND1-CG2 3.43Å
60L94.8Very high93.5Very high0 Ų054.8 Ų54.80%027%0.274CS..EExtended strand (participates in β ladder)trans-105139.3175.4-57.9-178.1000110.4Q42 I43 I45 M101 P102 W105 Q121 L123Q42-L60 CarbonylContact C-O 3.48Å; Q42-L60 VanDerWaalsContact CA-O 3.26Å; Q42-L60 WeakPolarHBondContact CA-O 3.36Å; I43-L60 PolarHBondContact N-O 3.1Å; I43-L60 PolarHBondContact O-N 2.6Å; I45-L60 HydrophobicContact CD1-CD1 3.71Å; I45-L60 HydrophobicContact CD1-CG 3.94Å; L60-M101 HydrophobicContact CD1-CB 3.98Å; L60-M101 HydrophobicContact CD1-CG 3.74Å; L60-M101 HydrophobicContact CD1-SD 4.16Å; L60-P102 HydrophobicContact CD2-CG 4.39Å; L60-W105 HydrophobicContact CD2-CB 4.44Å; L60-Q121 CarbonylContact C-O 3.58Å; L60-Q121 VanDerWaalsContact CA-O 3.31Å; L60-Q121 WeakPolarHBondContact CA-O 3.46Å; L60-Q121 HydrophobicContact CD2-CB 3.96Å; L60-L123 HydrophobicContact CB-CG 4.32Å; L60-L123 HydrophobicContact CD1-CD2 3.73Å; L60-L123 HydrophobicContact CD1-CG 4.41Å
61L94.7Very high93.8Very high22 Ų2252.5 Ų52.512%0.11526%0.264CS..EExtended strand (participates in β ladder)trans-74.1133.9172.8-64.5-175.2000111.2Q42 Q63 P120 Q121 T122 L123Q42-L61 HydrophobicContact CG-CD2 4.27Å; L61-Q63 HydrophobicContact CB-CG 4.22Å; L61-P120 HydrophobicContact CD1-CB 4.42Å; L61-P120 HydrophobicContact CD1-CG 3.87Å; L61-P120 HydrophobicContact CD2-CB 3.99Å; L61-P120 HydrophobicContact CD2-CG 3.74Å; L61-P120 HydrophobicContact CG-CB 3.83Å; L61-P120 HydrophobicContact CG-CG 3.74Å; L61-Q121 PolarHBondContact N-O 2.79Å; L61-T122 HydrophobicContact CB-CG2 4.44Å; L61-L123 PolarHBondContact O-N 3.38Å
62H95Very high94.1Very high2 Ų244 Ų441%0.00923%0.225CC..EExtended strand (participates in β ladder)trans-117.982.6169.3-175.3-85.2000109.4N41 I43 A64 G65 I67 T82 Y84 W99 L123N41-H62 HydrophobicContact CB-CB 4.43Å; N41-H62 WeakPolarHBondContact CB-O 3.41Å; N41-H62 CarbonylContact O-C 3.6Å; N41-H62 WeakPolarHBondContact O-CA 3.43Å; N41-H62 PolarHBondContact O-N 3.29Å; I43-H62 HydrophobicContact CG1-CB 4.38Å; H62-A64 PolarHBondContact O-N 2.9Å; H62-G65 PolarHBondContact CE1-O 3.08Å; H62-G65 PolarHBondContact ND1-O 2.85Å; H62-I67 HydrophobicContact CB-CD1 3.87Å; H62-I67 HydrophobicContact CB-CG1 4.46Å; H62-T82 PolarHBondContact NE2-OG1 2.69Å; H62-Y84 AromaticContact CE1-CG 3.71Å; H62-W99 AromaticContact NE2-CE2 3.74Å; H62-W99 AromaticContact NE2-CZ2 3.48Å; H62-W99 WeakPolarHBondContact NE2-CZ2 3.49Å; H62-W99 AromaticContact NE2-NE1 3.91Å; H62-L123 HydrophobicContact CB-CD1 4.17Å
63Q90.8Very high94.4Very high118 Ų11839.5 Ų39.555%0.55120%0.201SC*.THydrogen-bonded Turntrans-74.7-4.2-174.8-58.9-173.6-55.500113.8D40 L61 T122D40-Q63 PolarHBondContact OD2-NE2 3.23Å; D40-Q63 VanDerWaalsContact OD2-NE2 3.13Å; L61-Q63 HydrophobicContact CB-CG 4.22Å; Q63-T122 HydrophobicContact CG-CG2 4.34Å
64A91.7Very high94.5Very high29 Ų2938 Ų3824%0.2419%0.194CC..THydrogen-bonded Turntrans-78.5-24-174.500000113.4H62 Y84 K86 W99H62-A64 PolarHBondContact O-N 2.9Å; A64-Y84 HydrophobicContact CB-CD2 3.81Å; A64-Y84 HydrophobicContact CB-CE1 4.39Å; A64-Y84 HydrophobicContact CB-CE2 3.48Å; A64-Y84 VanDerWaalsContact CB-CE2 3.48Å; A64-Y84 HydrophobicContact CB-CG 4.38Å; A64-Y84 WeakPolarHBondContact O-CD2 3.18Å; A64-Y84 WeakPolarHBondContact O-CE2 3.25Å; A64-K86 WeakPolarHBondContact O-CB 3.5Å; A64-W99 HydrophobicContact CB-CH2 3.61Å; A64-W99 HydrophobicContact CB-CZ2 3.98Å
65G92.9Very high94.7Very high14 Ų1436.3 Ų36.314%0.14419%0.194CC..  trans150.4-174.6179.500000114.7N41 H62 N85N41-G65 VanDerWaalsContact CB-O 3.3Å; N41-G65 WeakPolarHBondContact CB-O 3.42Å; N41-G65 VanDerWaalsContact ND2-C 3.34Å; N41-G65 PolarHBondContact ND2-O 2.88Å; H62-G65 PolarHBondContact CE1-O 3.08Å; H62-G65 PolarHBondContact ND1-O 2.85Å; G65-N85 CarbonylContact C-O 3.46Å; G65-N85 WeakPolarHBondContact CA-O 3.37Å
66E95.3Very high94.7Very high25 Ų2537.1 Ų37.112%0.11720%0.198CC..EExtended strand (participates in β ladder)trans-64.6133178-60.816597.100110.3Q35 L37 N41 W68 Y84 N85Q35-E66 HydrophobicContact CB-CB 4.41Å; L37-E66 HydrophobicContact CD2-CG 4.24Å; L37-E66 WeakPolarHBondContact CD2-OE1 3.11Å; L37-E66 WeakPolarHBondContact CD2-OE2 3.46Å; L37-E66 WeakPolarHBondContact CG-OE1 3.38Å; N41-E66 WeakPolarHBondContact ND2-CA 3.03Å; N41-E66 PolarHBondContact ND2-N 3.29Å; E66-W68 VanDerWaalsContact O-CD1 3.32Å; E66-Y84 CarbonylContact O-C 3.58Å; E66-Y84 WeakPolarHBondContact O-CA 3.37Å; E66-Y84 WeakPolarHBondContact O-CB 3.44Å; E66-N85 HydrophobicContact CB-CB 4.46Å; E66-N85 PolarHBondContact N-O 3.26Å; E66-N85 VanDerWaalsContact N-O 3.12Å; E66-N85 PolarHBondContact O-N 3.34Å
67I97Very high94.7Very high0 Ų037.3 Ų37.30%020%0.196CC..EExtended strand (participates in β ladder)trans-91.3113-176.3-57.4164.1000109.6A17 T34 Q35 Q42 I43 H62 I70 T82A17-I67 HydrophobicContact CB-CG2 3.88Å; T34-I67 PolarHBondContact O-N 3.2Å; Q35-I67 WeakPolarHBondContact CG-O 3.34Å; Q35-I67 PolarHBondContact NE2-O 3.19Å; Q42-I67 WeakPolarHBondContact O-CD1 3.33Å; I43-I67 HydrophobicContact CD1-CD1 4.21Å; I43-I67 HydrophobicContact CG1-CD1 3.58Å; H62-I67 HydrophobicContact CB-CD1 3.87Å; H62-I67 HydrophobicContact CB-CG1 4.46Å; I67-I70 HydrophobicContact CG2-CB 4.31Å; I67-T82 HydrophobicContact CG2-CG2 4.34Å
68W96.1Very high94.8Very high111 Ų11132.5 Ų32.542%0.4218%0.177SC..EExtended strand (participates in β ladder)trans-96.8-28.6-179.6-74.879.5000113.1E66 C83 N85E66-W68 VanDerWaalsContact O-CD1 3.32Å; W68-C83 PolarHBondContact N-O 2.77Å; W68-N85 PolarHBondContact NE1-ND2 2.76Å
69H97.1Very high95Very high49 Ų4930.1 Ų30.123%0.22717%0.165CC..EExtended strand (participates in β ladder)trans-144.5143.6174.3-170-97.5000109T82 C83 V140H69-T82 CarbonylContact O-C 3.57Å; H69-T82 WeakPolarHBondContact O-CA 3.21Å; H69-C83 HydrophobicContact CB-CB 3.79Å; H69-C83 PolarHBondContact N-O 3.09Å; H69-C83 PolarHBondContact O-N 2.86Å; H69-V140 PolarHBondContact CE1-O 2.79Å; H69-V140 PolarHBondContact ND1-N 3.04Å; H69-V140 PolarHBondContact ND1-O 3.42Å
70I97.9Very high95.2Very high5 Ų528.7 Ų28.73%0.02616%0.156CC..EExtended strand (participates in β ladder)trans-135.1138.5174.5-170.4172.7000108.2A17 T19 L31 I43 I67 L80 S81 T82A17-I70 HydrophobicContact CB-CB 4.2Å; A17-I70 HydrophobicContact CB-CG2 3.72Å; T19-I70 HydrophobicContact CG2-CB 4.45Å; T19-I70 HydrophobicContact CG2-CD1 4.47Å; T19-I70 HydrophobicContact CG2-CG1 4.09Å; T19-I70 HydrophobicContact CG2-CG2 3.8Å; L31-I70 HydrophobicContact CB-CD1 3.8Å; L31-I70 HydrophobicContact CD1-CD1 4.4Å; I43-I70 HydrophobicContact CD1-CD1 3.85Å; I43-I70 HydrophobicContact CG1-CD1 4.37Å; I43-I70 HydrophobicContact CG2-CD1 3.97Å; I67-I70 HydrophobicContact CG2-CB 4.31Å; I70-L80 HydrophobicContact CD1-CD1 4.38Å; I70-L80 HydrophobicContact CG1-CD1 4.22Å; I70-S81 WeakPolarHBondContact CA-O 3.29Å; I70-T82 HydrophobicContact CG1-CG2 4.39Å
71A97.6Very high95.4Very high12 Ų1228.7 Ų28.710%0.09916%0.156CC..EExtended strand (participates in β ladder)trans-144125.5174.100000110.3L80 S81 W142A71-L80 WeakPolarHBondContact O-CA 3.35Å; A71-S81 PolarHBondContact N-O 2.7Å; A71-S81 PolarHBondContact O-N 3.48Å; A71-S81 PolarHBondContact O-OG 3.1Å; A71-W142 PolarHBondContact O-NE1 2.8Å
72A96.8Very high95.5Very high6 Ų627.6 Ų27.65%0.0515%0.151CC..EExtended strand (participates in β ladder)trans-77.4145.4178.500000111T19 Q21 L31 W142T19-A72 HydrophobicContact CG2-CB 4.21Å; Q21-A72 VanDerWaalsContact NE2-CB 3.3Å; L31-A72 HydrophobicContact CD1-CB 4.06Å; A72-W142 VanDerWaalsContact O-CD1 3.3Å
73S96.6Very high95.6Very high3 Ų327.6 Ų27.62%0.02115%0.15CC..  trans-64.5137.2172.9173.80000109.8Q21 T22 A23 A75 D76 V79Q21-S73 PolarHBondContact NE2-O 3.1Å; T22-S73 PolarHBondContact OG1-O 3.1Å; A23-S73 WeakPolarHBondContact CB-O 3.39Å; S73-A75 PolarHBondContact O-N 2.99Å; S73-A75 PolarHBondContact OG-N 3.36Å; S73-D76 WeakPolarHBondContact CB-O 3.26Å; S73-D76 PolarHBondContact OG-N 2.87Å; S73-V79 WeakPolarHBondContact CB-O 2.97Å; S73-V79 PolarHBondContact N-O 2.65Å
74P94.9Very high95.8Very high26 Ų2622.2 Ų22.217%0.16913%0.125CC..SBendtrans-74.1-11.2174.731-35.3000113.5T22 A23 W142T22-P74 WeakPolarHBondContact OG1-CA 3.35Å; A23-P74 WeakPolarHBondContact CA-O 3.43Å; P74-W142 HydrophobicContact CG-CB 4.15Å
75A94.6Very high95.9Very high52 Ų5221.9 Ų21.943%0.4312%0.119SC..SBendtrans-120.7-22.5-172.200000115S73 D147S73-A75 PolarHBondContact O-N 2.99Å; S73-A75 PolarHBondContact OG-N 3.36Å; A75-D147 VanDerWaalsContact CB-C 3.41Å
76D94.4Very high95.7Very high50 Ų5024.9 Ų24.927%0.26713%0.128SC..  trans-133.3112.7179.6-177.1-13.5000109.2S73 A78 V79 R100S73-D76 WeakPolarHBondContact CB-O 3.26Å; S73-D76 PolarHBondContact OG-N 2.87Å; D76-A78 PolarHBondContact O-N 2.83Å; D76-A78 VanDerWaalsContact O-N 3.13Å; D76-A78 WeakPolarHBondContact OD1-CB 3.39Å; D76-A78 PolarHBondContact OD1-N 3.44Å; D76-V79 HydrophobicContact CB-CB 4.08Å; D76-V79 HydrophobicContact CB-CG2 3.93Å; D76-V79 PolarHBondContact O-N 2.98Å; D76-V79 VanDerWaalsContact OD2-CG2 3.3Å; D76-V79 WeakPolarHBondContact OD2-CG2 3.4Å; D76-R100 IonicContact OD2-CZ 3.61Å; D76-R100 IonicContact OD2-NH1 3.25Å; D76-R100 PolarHBondContact OD2-NH1 2.94Å; D76-R100 IonicContact OD2-NH2 3.84Å; D76-R100 PolarHBondContact OD2-NH2 3.45Å
77K93.6Very high95.2Very high64 Ų6428.8 Ų28.828%0.27815%0.154SC..THydrogen-bonded Turntrans-63.4-17-178.469.2169.9178.9173.40114.2Q21 A23 E24 W105 D106Q21-K77 HydrophobicContact CG-CB 4.41Å; Q21-K77 PolarHBondContact OE1-O 3.36Å; A23-K77 HydrophobicContact CB-CB 4.14Å; E24-K77 HydrophobicContact CB-CB 4.26Å; E24-K77 HydrophobicContact CB-CD 4.3Å; E24-K77 HydrophobicContact CG-CD 4.44Å; E24-K77 WeakPolarHBondContact OE1-CD 3.47Å; E24-K77 IonicContact OE1-NZ 3.69Å; E24-K77 PolarHBondContact OE1-NZ 3.04Å; E24-K77 WeakPolarHBondContact OE2-CD 3.48Å; E24-K77 IonicContact OE2-NZ 2.92Å; K77-W105 HydrophobicContact CG-CZ2 4.48Å; K77-D106 IonicContact NZ-OD2 3.9Å; K77-D106 PolarHBondContact NZ-OD2 2.79Å
78A94.2Very high94.3Very high13 Ų1331.3 Ų31.311%0.10717%0.172CC..THydrogen-bonded Turntrans-92.6-0.2176.500000112.3D76 R100 M101D76-A78 PolarHBondContact O-N 2.83Å; D76-A78 VanDerWaalsContact O-N 3.13Å; D76-A78 WeakPolarHBondContact OD1-CB 3.39Å; D76-A78 PolarHBondContact OD1-N 3.44Å; A78-R100 CarbonylContact O-C 3.59Å; A78-R100 VanDerWaalsContact O-CA 3.27Å; A78-R100 WeakPolarHBondContact O-CA 3.3Å; A78-M101 HydrophobicContact CB-CB 4.4Å; A78-M101 PolarHBondContact O-N 3.43Å
79V96.3Very high93.6Very high1 Ų132.9 Ų32.91%0.00619%0.188CC..EExtended strand (participates in β ladder)trans-114.5133.7-176.4176.80000110.7S73 D76 V98 W99 L126 W142S73-V79 WeakPolarHBondContact CB-O 2.97Å; S73-V79 PolarHBondContact N-O 2.65Å; D76-V79 HydrophobicContact CB-CB 4.08Å; D76-V79 HydrophobicContact CB-CG2 3.93Å; D76-V79 PolarHBondContact O-N 2.98Å; D76-V79 VanDerWaalsContact OD2-CG2 3.3Å; D76-V79 WeakPolarHBondContact OD2-CG2 3.4Å; V79-V98 HydrophobicContact CG1-CG1 3.6Å; V79-W99 WeakPolarHBondContact CA-O 3.38Å; V79-L126 HydrophobicContact CG1-CD1 4.33Å; V79-L126 HydrophobicContact CG2-CD1 4.14Å; V79-W142 HydrophobicContact CG1-CH2 3.78Å; V79-W142 HydrophobicContact CG1-CZ2 4.14Å
80L97.4Very high92.9Very high0 Ų036.5 Ų36.50%022%0.219CC..EExtended strand (participates in β ladder)trans-143.4161.3176.86995.9000110.5L31 I43 I70 A71 T82 V98 W99 M101 L123L31-L80 HydrophobicContact CD1-CD2 4.37Å; I43-L80 HydrophobicContact CD1-CD1 3.79Å; I43-L80 HydrophobicContact CD1-CD2 4.04Å; I70-L80 HydrophobicContact CD1-CD1 4.38Å; I70-L80 HydrophobicContact CG1-CD1 4.22Å; A71-L80 WeakPolarHBondContact O-CA 3.35Å; L80-T82 HydrophobicContact CD1-CG2 3.51Å; L80-V98 WeakPolarHBondContact O-CA 3.46Å; L80-W99 HydrophobicContact CD1-CB 4.35Å; L80-W99 HydrophobicContact CD1-CG 4.41Å; L80-W99 HydrophobicContact CG-CB 4.34Å; L80-W99 PolarHBondContact N-O 3.05Å; L80-W99 VanDerWaalsContact N-O 3.1Å; L80-W99 PolarHBondContact O-N 3.17Å; L80-M101 HydrophobicContact CD2-CE 3.42Å; L80-M101 VanDerWaalsContact CD2-CE 3.42Å; L80-M101 HydrophobicContact CD2-CG 4.11Å; L80-L123 HydrophobicContact CD2-CD2 4.16Å
81S97.8Very high92.2Very high0 Ų045.5 Ų45.50%025%0.253CS..EExtended strand (participates in β ladder)trans-116.3151.2169.564.50000111.1I70 A71 A97 V140 W142I70-S81 WeakPolarHBondContact CA-O 3.29Å; A71-S81 PolarHBondContact N-O 2.7Å; A71-S81 PolarHBondContact O-N 3.48Å; A71-S81 PolarHBondContact O-OG 3.1Å; S81-A97 CarbonylContact C-O 3.53Å; S81-A97 WeakPolarHBondContact CA-O 3.24Å; S81-A97 WeakPolarHBondContact CB-O 3.5Å; S81-V140 VanDerWaalsContact OG-CG1 3.24Å; S81-V140 WeakPolarHBondContact OG-CG1 3.46Å; S81-W142 PolarHBondContact OG-NE1 3.06Å; S81-W142 VanDerWaalsContact OG-NE1 3.11Å
82T97.7Very high91.7Very high0 Ų049.1 Ų49.10%027%0.274CS..EExtended strand (participates in β ladder)trans-133.3143.9173.9650000110.9I43 H62 I67 H69 I70 L80 Y84 A96 A97 W99I43-T82 HydrophobicContact CD1-CG2 4.17Å; H62-T82 PolarHBondContact NE2-OG1 2.69Å; I67-T82 HydrophobicContact CG2-CG2 4.34Å; H69-T82 CarbonylContact O-C 3.57Å; H69-T82 WeakPolarHBondContact O-CA 3.21Å; I70-T82 HydrophobicContact CG1-CG2 4.39Å; L80-T82 HydrophobicContact CD1-CG2 3.51Å; T82-Y84 WeakPolarHBondContact OG1-CD1 3.49Å; T82-A96 WeakPolarHBondContact O-CA 3.47Å; T82-A97 PolarHBondContact N-O 2.91Å; T82-A97 PolarHBondContact O-N 2.84Å; T82-A97 VanDerWaalsContact O-N 3.1Å; T82-W99 PolarHBondContact OG1-NE1 3.11Å
83C96.5Very high91.4Very high1 Ų150.2 Ų50.21%0.00728%0.28CS..EExtended strand (participates in β ladder)trans-96.4129.5153.6-63.70000108.7W68 H69 C95 C139W68-C83 PolarHBondContact N-O 2.77Å; H69-C83 HydrophobicContact CB-CB 3.79Å; H69-C83 PolarHBondContact N-O 3.09Å; H69-C83 PolarHBondContact O-N 2.86Å; C83-C95 CarbonylContact C-O 3.58Å; C83-C95 VanDerWaalsContact CA-O 3.26Å; C83-C95 WeakPolarHBondContact CA-O 3.33Å; C83-C139 WeakPolarHBondContact SG-CA 3.31Å
84Y95.3Very high91.1Very high5 Ų551.4 Ų51.42%0.0229%0.288CS..EExtended strand (participates in β ladder)trans-140150.4-176.564.2-85000112.7H62 A64 E66 T82 K86 S94 C95 A97 W99 H128H62-Y84 AromaticContact CE1-CG 3.71Å; A64-Y84 HydrophobicContact CB-CD2 3.81Å; A64-Y84 HydrophobicContact CB-CE1 4.39Å; A64-Y84 HydrophobicContact CB-CE2 3.48Å; A64-Y84 VanDerWaalsContact CB-CE2 3.48Å; A64-Y84 HydrophobicContact CB-CG 4.38Å; A64-Y84 WeakPolarHBondContact O-CD2 3.18Å; A64-Y84 WeakPolarHBondContact O-CE2 3.25Å; E66-Y84 CarbonylContact O-C 3.58Å; E66-Y84 WeakPolarHBondContact O-CA 3.37Å; E66-Y84 WeakPolarHBondContact O-CB 3.44Å; T82-Y84 WeakPolarHBondContact OG1-CD1 3.49Å; Y84-K86 HydrophobicContact CE2-CB 4.43Å; Y84-K86 HydrophobicContact CE2-CD 4.19Å; Y84-S94 WeakPolarHBondContact O-CA 3.36Å; Y84-C95 HydrophobicContact CD1-CB 4.33Å; Y84-C95 HydrophobicContact CD2-CB 4.28Å; Y84-C95 HydrophobicContact CE1-CB 3.79Å; Y84-C95 HydrophobicContact CE2-CB 3.73Å; Y84-C95 VanDerWaalsContact CZ-CB 3.47Å; Y84-C95 PolarHBondContact N-O 3.17Å; Y84-C95 PolarHBondContact O-N 3.01Å; Y84-A97 HydrophobicContact CE1-CB 3.93Å; Y84-W99 HydrophobicContact CD1-CZ2 4.3Å; Y84-W99 AromaticContact CE1-CZ2 3.79Å; Y84-W99 HydrophobicContact CE1-CZ2 3.79Å; Y84-H128 PolarHBondContact OH-CE1 2.84Å
85N93.6Very high91.1Very high22 Ų2250.4 Ų50.412%0.11828%0.282CS..EExtended strand (participates in β ladder)trans-98.5128175.5-78.2-4000110.2G65 E66 W68 V92 V93 S94G65-N85 CarbonylContact C-O 3.46Å; G65-N85 WeakPolarHBondContact CA-O 3.37Å; E66-N85 HydrophobicContact CB-CB 4.46Å; E66-N85 PolarHBondContact N-O 3.26Å; E66-N85 VanDerWaalsContact N-O 3.12Å; E66-N85 PolarHBondContact O-N 3.34Å; W68-N85 PolarHBondContact NE1-ND2 2.76Å; N85-V92 HydrophobicContact CB-CG1 3.77Å; N85-V93 WeakPolarHBondContact CA-O 3.45Å; N85-S94 WeakPolarHBondContact OD1-CA 3.47Å; N85-S94 WeakPolarHBondContact OD1-CB 3.41Å; N85-S94 PolarHBondContact OD1-OG 2.89Å
86K88.4Confident91.1Very high77 Ų7748 Ų4834%0.33526%0.261SS..EExtended strand (participates in β ladder)trans-121.7146171.372.5-177.2177-159.40110.9A64 Y84 V93 C95A64-K86 WeakPolarHBondContact O-CB 3.5Å; Y84-K86 HydrophobicContact CE2-CB 4.43Å; Y84-K86 HydrophobicContact CE2-CD 4.19Å; K86-V93 PolarHBondContact N-O 2.89Å; K86-V93 PolarHBondContact O-N 2.88Å; K86-C95 WeakPolarHBondContact CE-SG 3.12Å
87T85.4Confident91.2Very high107 Ų10745.6 Ų45.666%0.65625%0.249SC*.EExtended strand (participates in β ladder)trans-89.3117.6174.1-58.40000109.3R91T87-R91 WeakPolarHBondContact CA-O 3.12Å
88S78.1Confident91.4Very high53 Ų5342.5 Ų42.537%0.37124%0.235SC..EExtended strand (participates in β ladder)trans-128.5127.7174.8-173.20000108.8S90 R91S88-S90 VanDerWaalsContact C-N 3.27Å; S88-S90 PolarHBondContact O-N 2.75Å; S88-R91 PolarHBondContact N-O 3.08Å; S88-R91 PolarHBondContact O-N 2.74Å
89D80.9Confident91.5Very high144 Ų14442.8 Ų42.877%0.7723%0.233SC*.THydrogen-bonded Turntrans48.446178.8-58.2-37.3000113.6R91D89-R91 PolarHBondContact O-N 3.42Å; D89-R91 VanDerWaalsContact O-N 3.12Å
90S82.1Confident91.5Very high125 Ų12546 Ų4687%0.87425%0.245SC*.THydrogen-bonded Turntrans59.217.9-177.452.20000115.5S88S88-S90 VanDerWaalsContact C-N 3.27Å; S88-S90 PolarHBondContact O-N 2.75Å
91R85.1Confident91.4Very high194 Ų19446.2 Ų46.273%0.73225%0.246SC*.EExtended strand (participates in β ladder)trans-116.8141.9169.7-65.3-177.7176.1-175-1.1109.9T87 S88 D89T87-R91 WeakPolarHBondContact CA-O 3.12Å; S88-R91 PolarHBondContact N-O 3.08Å; S88-R91 PolarHBondContact O-N 2.74Å; D89-R91 PolarHBondContact O-N 3.42Å; D89-R91 VanDerWaalsContact O-N 3.12Å
92V86.7Confident91.1Very high88 Ų8847.4 Ų47.453%0.53325%0.254SS..EExtended strand (participates in β ladder)trans-83.7128.7170.1-177.50000107.9N85N85-V92 HydrophobicContact CB-CG1 3.77Å
93V89.1Confident90.4Very high30 Ų3053.6 Ų53.618%0.18230%0.297CS..EExtended strand (participates in β ladder)trans-122128.5176.1-176.70000108.2N85 K86N85-V93 WeakPolarHBondContact CA-O 3.45Å; K86-V93 PolarHBondContact N-O 2.89Å; K86-V93 PolarHBondContact O-N 2.88Å
94S91.7Very high89.5Confident28 Ų2857.5 Ų57.520%0.19632%0.318CS..EExtended strand (participates in β ladder)trans-88.5123.5171.8-41.70000109.9Y84 N85 N136 A137Y84-S94 WeakPolarHBondContact O-CA 3.36Å; N85-S94 WeakPolarHBondContact OD1-CA 3.47Å; N85-S94 WeakPolarHBondContact OD1-CB 3.41Å; N85-S94 PolarHBondContact OD1-OG 2.89Å; S94-N136 WeakPolarHBondContact O-CA 3.27Å; S94-N136 PolarHBondContact O-N 3.44Å; S94-A137 WeakPolarHBondContact CB-O 3.42Å; S94-A137 PolarHBondContact O-N 3.24Å
95C93.7Very high88.6Confident5 Ų557.9 Ų57.93%0.03432%0.32CS..EExtended strand (participates in β ladder)trans-117.5157.4-178.2-75.50000110.2C83 Y84 K86 D130C83-C95 CarbonylContact C-O 3.58Å; C83-C95 VanDerWaalsContact CA-O 3.26Å; C83-C95 WeakPolarHBondContact CA-O 3.33Å; Y84-C95 HydrophobicContact CD1-CB 4.33Å; Y84-C95 HydrophobicContact CD2-CB 4.28Å; Y84-C95 HydrophobicContact CE1-CB 3.79Å; Y84-C95 HydrophobicContact CE2-CB 3.73Å; Y84-C95 VanDerWaalsContact CZ-CB 3.47Å; Y84-C95 PolarHBondContact N-O 3.17Å; Y84-C95 PolarHBondContact O-N 3.01Å; K86-C95 WeakPolarHBondContact CE-SG 3.12Å; C95-D130 WeakPolarHBondContact CB-OD2 3.45Å; C95-D130 PolarHBondContact SG-OD2 3.36Å
96A95.4Very high87.5Confident0 Ų059.8 Ų59.80%033%0.33CS..EExtended strand (participates in β ladder)trans-124.2142.4169.900000110.9T82 L129 D130 A137 V140T82-A96 WeakPolarHBondContact O-CA 3.47Å; A96-L129 HydrophobicContact CB-CB 3.85Å; A96-L129 PolarHBondContact O-N 3.27Å; A96-D130 PolarHBondContact N-OD1 3.27Å; A96-A137 HydrophobicContact CB-CB 3.61Å; A96-V140 HydrophobicContact CB-CG2 3.64Å
97A96.3Very high86Confident0 Ų059.3 Ų59.30%034%0.337CS..EExtended strand (participates in β ladder)trans-151.2158177.900000111.9S81 T82 Y84 W99 L125 C127S81-A97 CarbonylContact C-O 3.53Å; S81-A97 WeakPolarHBondContact CA-O 3.24Å; S81-A97 WeakPolarHBondContact CB-O 3.5Å; T82-A97 PolarHBondContact N-O 2.91Å; T82-A97 PolarHBondContact O-N 2.84Å; T82-A97 VanDerWaalsContact O-N 3.1Å; Y84-A97 HydrophobicContact CE1-CB 3.93Å; A97-W99 HydrophobicContact CB-CH2 4.45Å; A97-W99 HydrophobicContact CB-CZ2 3.62Å; A97-L125 HydrophobicContact CB-CD1 3.67Å; A97-C127 CarbonylContact C-O 3.59Å; A97-C127 WeakPolarHBondContact CA-O 3.43Å; A97-C127 WeakPolarHBondContact CB-O 3.34Å
98V97.6Very high84.4Confident0 Ų057 Ų570%033%0.334CS..EExtended strand (participates in β ladder)trans-104.9136.5169.7-173.70000108.5V79 L80 L126 C127 L129 W142 L164V79-V98 HydrophobicContact CG1-CG1 3.6Å; L80-V98 WeakPolarHBondContact O-CA 3.46Å; V98-L126 HydrophobicContact CG1-CB 4.47Å; V98-L126 HydrophobicContact CG1-CD1 4.09Å; V98-L126 WeakPolarHBondContact O-CB 3.25Å; V98-L126 PolarHBondContact O-N 2.81Å; V98-C127 PolarHBondContact N-O 2.98Å; V98-C127 PolarHBondContact O-N 3.37Å; V98-L129 HydrophobicContact CG2-CD1 3.75Å; V98-L129 HydrophobicContact CG2-CD2 4.16Å; V98-L129 HydrophobicContact CG2-CG 3.97Å; V98-W142 HydrophobicContact CG1-CH2 4Å; V98-W142 HydrophobicContact CG1-CZ2 4.24Å; V98-L164 HydrophobicContact CG2-CD1 4.48Å; V98-L164 HydrophobicContact CG2-CD2 4.42Å
99W97.4Very high82.7Confident18 Ų1859.6 Ų59.67%0.06834%0.344CS..EExtended strand (participates in β ladder)trans-128.8155.4-173.7-4989.5000110.9H62 A64 V79 L80 T82 Y84 A97 L123 E124 L125H62-W99 AromaticContact NE2-CE2 3.74Å; H62-W99 AromaticContact NE2-CZ2 3.48Å; H62-W99 WeakPolarHBondContact NE2-CZ2 3.49Å; H62-W99 AromaticContact NE2-NE1 3.91Å; A64-W99 HydrophobicContact CB-CH2 3.61Å; A64-W99 HydrophobicContact CB-CZ2 3.98Å; V79-W99 WeakPolarHBondContact CA-O 3.38Å; L80-W99 HydrophobicContact CD1-CB 4.35Å; L80-W99 HydrophobicContact CD1-CG 4.41Å; L80-W99 HydrophobicContact CG-CB 4.34Å; L80-W99 PolarHBondContact N-O 3.05Å; L80-W99 VanDerWaalsContact N-O 3.1Å; L80-W99 PolarHBondContact O-N 3.17Å; T82-W99 PolarHBondContact OG1-NE1 3.11Å; Y84-W99 HydrophobicContact CD1-CZ2 4.3Å; Y84-W99 AromaticContact CE1-CZ2 3.79Å; Y84-W99 HydrophobicContact CE1-CZ2 3.79Å; A97-W99 HydrophobicContact CB-CH2 4.45Å; A97-W99 HydrophobicContact CB-CZ2 3.62Å; W99-L123 HydrophobicContact CB-CB 4.22Å; W99-L123 HydrophobicContact CB-CD2 4.28Å; W99-L123 HydrophobicContact CD2-CB 4.39Å; W99-L123 HydrophobicContact CE3-CB 3.95Å; W99-E124 CarbonylContact C-O 3.59Å; W99-E124 VanDerWaalsContact CA-O 3.23Å; W99-E124 WeakPolarHBondContact CA-O 3.48Å; W99-L125 HydrophobicContact CD2-CD1 4.36Å; W99-L125 HydrophobicContact CE3-CB 3.89Å; W99-L125 HydrophobicContact CE3-CD1 4.04Å; W99-L125 HydrophobicContact CH2-CB 4.45Å; W99-L125 HydrophobicContact CH2-CD1 3.9Å; W99-L125 HydrophobicContact CZ2-CD1 4.26Å; W99-L125 HydrophobicContact CZ3-CB 3.64Å; W99-L125 HydrophobicContact CZ3-CD1 3.81Å; W99-L125 HydrophobicContact CZ3-CG 4.27Å
100R95.9Very high81.1Confident69 Ų6960.1 Ų60.126%0.2634%0.341SS..EExtended strand (participates in β ladder)trans-115.1133.7169.4-176.6170.1-73.5-80-3.2110.1D76 A78 E124 L126D76-R100 IonicContact OD2-CZ 3.61Å; D76-R100 IonicContact OD2-NH1 3.25Å; D76-R100 PolarHBondContact OD2-NH1 2.94Å; D76-R100 IonicContact OD2-NH2 3.84Å; D76-R100 PolarHBondContact OD2-NH2 3.45Å; A78-R100 CarbonylContact O-C 3.59Å; A78-R100 VanDerWaalsContact O-CA 3.27Å; A78-R100 WeakPolarHBondContact O-CA 3.3Å; R100-E124 HydrophobicContact CB-CB 4.28Å; R100-E124 PolarHBondContact N-O 2.91Å; R100-E124 PolarHBondContact O-N 3.16Å; R100-L126 HydrophobicContact CB-CD1 3.85Å; R100-L126 HydrophobicContact CB-CD2 3.89Å; R100-L126 HydrophobicContact CB-CG 3.84Å
101M94.6Very high79.2Confident4 Ų459.9 Ų59.92%0.0233%0.326CS..  trans-75141.6170.5-58.6-173.9-172.100110L31 I45 L60 A78 L80 W105 L123L31-M101 HydrophobicContact CD1-CE 3.71Å; L31-M101 HydrophobicContact CD2-CE 3.82Å; L31-M101 HydrophobicContact CG-CE 4.45Å; I45-M101 HydrophobicContact CD1-CE 4.22Å; I45-M101 HydrophobicContact CD1-SD 3.71Å; I45-M101 HydrophobicContact CG1-CE 4.3Å; I45-M101 HydrophobicContact CG1-SD 4.42Å; L60-M101 HydrophobicContact CD1-CB 3.98Å; L60-M101 HydrophobicContact CD1-CG 3.74Å; L60-M101 HydrophobicContact CD1-SD 4.16Å; A78-M101 HydrophobicContact CB-CB 4.4Å; A78-M101 PolarHBondContact O-N 3.43Å; L80-M101 HydrophobicContact CD2-CE 3.42Å; L80-M101 VanDerWaalsContact CD2-CE 3.42Å; L80-M101 HydrophobicContact CD2-CG 4.11Å; M101-W105 HydrophobicContact CB-CB 4.44Å; M101-W105 HydrophobicContact CB-CD2 4.32Å; M101-W105 HydrophobicContact CB-CG 3.79Å; M101-W105 HydrophobicContact SD-CD2 3.81Å; M101-W105 VanDerWaalsContact SD-CE2 3.51Å; M101-W105 HydrophobicContact SD-CE3 4.27Å; M101-W105 HydrophobicContact SD-CG 4.23Å; M101-W105 HydrophobicContact SD-CH2 4.06Å; M101-W105 HydrophobicContact SD-CZ2 3.64Å; M101-W105 HydrophobicContact SD-CZ3 4.41Å; M101-L123 HydrophobicContact CG-CD2 4.07Å
102P91.3Very high77Confident26 Ų2654.2 Ų54.217%0.16932%0.316CS..  trans-59.6139.8-179.2-22.532.4000113.2L60 D104 W105 Q121L60-P102 HydrophobicContact CD2-CG 4.39Å; P102-D104 PolarHBondContact O-N 3.32Å; P102-W105 VanDerWaalsContact O-CB 3.23Å; P102-W105 WeakPolarHBondContact O-CB 3.44Å; P102-W105 PolarHBondContact O-N 2.86Å; P102-Q121 HydrophobicContact CB-CB 4.48Å; P102-Q121 HydrophobicContact CG-CB 3.77Å
103S82.7Confident75.1Confident129 Ų12956.7 Ų56.790%0.90233%0.334SS*.THydrogen-bonded Turntrans-54.2-24.6-169.5-40.50000116.4
104D78.7Confident72.7Confident83 Ų8362.2 Ų62.244%0.44436%0.362SS..THydrogen-bonded Turntrans-98.36-179.755.7-23000113.7P102 D106 S107 Q121P102-D104 PolarHBondContact O-N 3.32Å; D104-D106 PolarHBondContact O-N 2.77Å; D104-S107 WeakPolarHBondContact O-CB 3.31Å; D104-S107 PolarHBondContact O-N 3.46Å; D104-S107 PolarHBondContact O-OG 3.3Å; D104-Q121 PolarHBondContact OD1-NE2 3.21Å; D104-Q121 PolarHBondContact OD2-NE2 2.81Å
105W76Confident70.3Confident13 Ų1365.4 Ų65.45%0.04938%0.377CS..THydrogen-bonded Turntrans-59-31.317877.6-105.1000112.5R29 I45 N58 L60 K77 M101 P102R29-W105 VanDerWaalsContact CZ-CZ3 3.45Å; I45-W105 HydrophobicContact CD1-CD2 4.16Å; I45-W105 HydrophobicContact CD1-CE3 3.56Å; I45-W105 HydrophobicContact CD1-CZ3 3.87Å; I45-W105 HydrophobicContact CG2-CE3 4.39Å; I45-W105 HydrophobicContact CG2-CH2 4.31Å; I45-W105 HydrophobicContact CG2-CZ3 3.66Å; N58-W105 PolarHBondContact ND2-O 2.89Å; L60-W105 HydrophobicContact CD2-CB 4.44Å; K77-W105 HydrophobicContact CG-CZ2 4.48Å; M101-W105 HydrophobicContact CB-CB 4.44Å; M101-W105 HydrophobicContact CB-CD2 4.32Å; M101-W105 HydrophobicContact CB-CG 3.79Å; M101-W105 HydrophobicContact SD-CD2 3.81Å; M101-W105 VanDerWaalsContact SD-CE2 3.51Å; M101-W105 HydrophobicContact SD-CE3 4.27Å; M101-W105 HydrophobicContact SD-CG 4.23Å; M101-W105 HydrophobicContact SD-CH2 4.06Å; M101-W105 HydrophobicContact SD-CZ2 3.64Å; M101-W105 HydrophobicContact SD-CZ3 4.41Å; P102-W105 VanDerWaalsContact O-CB 3.23Å; P102-W105 WeakPolarHBondContact O-CB 3.44Å; P102-W105 PolarHBondContact O-N 2.86Å
106D69.7Low67.8Low62 Ų6271.2 Ų71.233%0.33242%0.418SS..THydrogen-bonded Turntrans-97.94.1-178.7-158.724.6000112.1R29 K77 D104 G108R29-D106 IonicContact CZ-OD1 2.69Å; R29-D106 IonicContact NH1-OD1 2.72Å; R29-D106 PolarHBondContact NH1-OD1 2.98Å; R29-D106 IonicContact NH1-OD2 3.74Å; R29-D106 IonicContact NH2-OD1 3.5Å; R29-D106 PolarHBondContact NH2-OD1 3.23Å; K77-D106 IonicContact NZ-OD2 3.9Å; K77-D106 PolarHBondContact NZ-OD2 2.79Å; D104-D106 PolarHBondContact O-N 2.77Å; D106-G108 PolarHBondContact O-N 2.9Å
107S58.2Low65.2Low68 Ų6875 Ų7548%0.47645%0.449SS..  trans-71.4102.5174.164.20000107.6D104 N109D104-S107 WeakPolarHBondContact O-CB 3.31Å; D104-S107 PolarHBondContact O-N 3.46Å; D104-S107 PolarHBondContact O-OG 3.3Å; S107-N109 PolarHBondContact O-N 3.44Å
108G51.3Low63.1Low58 Ų5881.8 Ų81.860%0.59848%0.481SS*.  trans-6359.5-178.700000113.8D106 H110D106-G108 PolarHBondContact O-N 2.9Å; G108-H110 PolarHBondContact O-CD2 3.03Å; G108-H110 PolarHBondContact O-N 2.72Å
109N43.1Very low61.3Low108 Ų10889 Ų8958%0.57852%0.519SS*.  trans-64.580.4160.5-92.616.3000106.9S107 E111S107-N109 PolarHBondContact O-N 3.44Å; N109-E111 PolarHBondContact O-N 2.92Å
110H47Very low60Low155 Ų15591 Ų9172%0.71854%0.535SS*.  trans-61.865.1154.9-67.9-73000108.4G108G108-H110 PolarHBondContact O-CD2 3.03Å; G108-H110 PolarHBondContact O-N 2.72Å
111E41.3Very low59.6Low120 Ų12090.5 Ų90.556%0.56154%0.535SS*.  trans-106.3136.5167.3-68.9-167.3154.300107.9N109N109-E111 PolarHBondContact O-N 2.92Å
112S40.2Very low59.4Low75 Ų7593.3 Ų93.352%0.52455%0.553SS.*  trans-43.5147.8-169.337.60000113.8D114 D115S112-D114 PolarHBondContact O-N 2.99Å; S112-D115 PolarHBondContact O-N 2.88Å
113P45.5Very low59.5Low140 Ų14092.6 Ų92.691%0.90955%0.548SS*.THydrogen-bonded Turntrans-60.92.6-178.725.7-35.6000115.7
114D39.8Very low60.1Low145 Ų14592 Ų9278%0.77553%0.531SS*.THydrogen-bonded Turntrans-100.4-4.8-179.3-90.3-17.1000114.4S112 S116S112-D114 PolarHBondContact O-N 2.99Å; D114-S116 VanDerWaalsContact C-N 3.32Å; D114-S116 PolarHBondContact O-N 3.03Å
115D40.6Very low60.9Low95 Ų9591.5 Ų91.551%0.50853%0.527SS..  trans-8180.6177.3-95.5-34.7000112.5S112 A117S112-D115 PolarHBondContact O-N 2.88Å; D115-A117 PolarHBondContact O-N 3.44Å
116S40.4Very low61.8Low128 Ų12891.6 Ų91.690%0.89553%0.529SS*.THydrogen-bonded Turntrans-5716.2169.359.10000116.4D114D114-S116 VanDerWaalsContact C-N 3.32Å; D114-S116 PolarHBondContact O-N 3.03Å
117A42.3Very low63Low79 Ų7989.2 Ų89.265%0.65352%0.517SS*.THydrogen-bonded Turntrans-111.1-6.4-168.800000115.5D115D115-A117 PolarHBondContact O-N 3.44Å
118H52.5Low64.7Low143 Ų14389.9 Ų89.966%0.66251%0.512SS*.  trans-89.1111.6172.5-79.6-55.2000110.8
119N59.6Low66.6Low150 Ų15087.2 Ų87.280%0.80248%0.484SS*.PPolyproline II helixtrans-57.7125.7164.7-84.4-17.2000108Q121N119-Q121 PolarHBondContact O-N 2.8Å
120P69.9Low68.2Low62 Ų6284.6 Ų84.640%0.40347%0.471SS..PPolyproline II helixtrans-61.2131.2179.925.3-33.3000109L61L61-P120 HydrophobicContact CD1-CB 4.42Å; L61-P120 HydrophobicContact CD1-CG 3.87Å; L61-P120 HydrophobicContact CD2-CB 3.99Å; L61-P120 HydrophobicContact CD2-CG 3.74Å; L61-P120 HydrophobicContact CG-CB 3.83Å; L61-P120 HydrophobicContact CG-CG 3.74Å
121Q87.1Confident69.2Low57 Ų5779.6 Ų79.627%0.26645%0.449SS..PPolyproline II helixtrans-73.8147.2-174.6-52.7-176.1-50.700110.4L60 L61 P102 D104 N119L60-Q121 CarbonylContact C-O 3.58Å; L60-Q121 VanDerWaalsContact CA-O 3.31Å; L60-Q121 WeakPolarHBondContact CA-O 3.46Å; L60-Q121 HydrophobicContact CD2-CB 3.96Å; L61-Q121 PolarHBondContact N-O 2.79Å; P102-Q121 HydrophobicContact CB-CB 4.48Å; P102-Q121 HydrophobicContact CG-CB 3.77Å; D104-Q121 PolarHBondContact OD1-NE2 3.21Å; D104-Q121 PolarHBondContact OD2-NE2 2.81Å; N119-Q121 PolarHBondContact O-N 2.8Å
122T90.8Very high70.2Confident63 Ų6378.8 Ų78.839%0.38746%0.456SS..BIsolated β-bridgetrans-99.5142.8-179.5-51.90000110.7L61 Q63L61-T122 HydrophobicContact CB-CG2 4.44Å; Q63-T122 HydrophobicContact CG-CG2 4.34Å
123L93.5Very high71.2Confident11 Ų1178.6 Ų78.66%0.05846%0.46CS..PPolyproline II helixtrans-61.1138.9171.1-69.2159.9000111.7I43 L60 L61 H62 L80 W99 M101I43-L123 HydrophobicContact CD1-CD1 3.46Å; I43-L123 VanDerWaalsContact CD1-CD1 3.46Å; I43-L123 HydrophobicContact CG1-CD1 4.12Å; L60-L123 HydrophobicContact CB-CG 4.32Å; L60-L123 HydrophobicContact CD1-CD2 3.73Å; L60-L123 HydrophobicContact CD1-CG 4.41Å; L61-L123 PolarHBondContact O-N 3.38Å; H62-L123 HydrophobicContact CB-CD1 4.17Å; L80-L123 HydrophobicContact CD2-CD2 4.16Å; W99-L123 HydrophobicContact CB-CB 4.22Å; W99-L123 HydrophobicContact CB-CD2 4.28Å; W99-L123 HydrophobicContact CD2-CB 4.39Å; W99-L123 HydrophobicContact CE3-CB 3.95Å; M101-L123 HydrophobicContact CG-CD2 4.07Å
124E94.6Very high72.4Confident117 Ų11773.6 Ų73.655%0.54742%0.424SS..EExtended strand (participates in β ladder)trans-84122171-178-177.6-174.900109.3W99 R100 L126W99-E124 CarbonylContact C-O 3.59Å; W99-E124 VanDerWaalsContact CA-O 3.23Å; W99-E124 WeakPolarHBondContact CA-O 3.48Å; R100-E124 HydrophobicContact CB-CB 4.28Å; R100-E124 PolarHBondContact N-O 2.91Å; R100-E124 PolarHBondContact O-N 3.16Å; E124-L126 PolarHBondContact O-N 3.34Å
125L95.8Very high73.8Confident72 Ų7274.1 Ų74.138%0.37742%0.415SS..EExtended strand (participates in β ladder)trans-70.5118.9172.8175.965.3000109.7A97 W99 H128A97-L125 HydrophobicContact CB-CD1 3.67Å; W99-L125 HydrophobicContact CD2-CD1 4.36Å; W99-L125 HydrophobicContact CE3-CB 3.89Å; W99-L125 HydrophobicContact CE3-CD1 4.04Å; W99-L125 HydrophobicContact CH2-CB 4.45Å; W99-L125 HydrophobicContact CH2-CD1 3.9Å; W99-L125 HydrophobicContact CZ2-CD1 4.26Å; W99-L125 HydrophobicContact CZ3-CB 3.64Å; W99-L125 HydrophobicContact CZ3-CD1 3.81Å; W99-L125 HydrophobicContact CZ3-CG 4.27Å; L125-H128 WeakPolarHBondContact CD2-NE2 3.46Å
126L95.8Very high75.9Confident15 Ų1572 Ų728%0.07940%0.404CS..EExtended strand (participates in β ladder)trans-88.5-55.8175.1-66.1178.3000111.3V79 V98 R100 E124 S168 T169V79-L126 HydrophobicContact CG1-CD1 4.33Å; V79-L126 HydrophobicContact CG2-CD1 4.14Å; V98-L126 HydrophobicContact CG1-CB 4.47Å; V98-L126 HydrophobicContact CG1-CD1 4.09Å; V98-L126 WeakPolarHBondContact O-CB 3.25Å; V98-L126 PolarHBondContact O-N 2.81Å; R100-L126 HydrophobicContact CB-CD1 3.85Å; R100-L126 HydrophobicContact CB-CD2 3.89Å; R100-L126 HydrophobicContact CB-CG 3.84Å; E124-L126 PolarHBondContact O-N 3.34Å; L126-S168 WeakPolarHBondContact CB-O 3.26Å; L126-T169 HydrophobicContact CD2-CG2 3.96Å; L126-T169 CarbonylContact O-C 3.59Å; L126-T169 WeakPolarHBondContact O-CA 3.46Å
127C94.4Very high78.3Confident12 Ų1266.3 Ų66.38%0.08136%0.364CS..EExtended strand (participates in β ladder)trans-155.7158.7175.562.80000112.4A97 V98 S168A97-C127 CarbonylContact C-O 3.59Å; A97-C127 WeakPolarHBondContact CA-O 3.43Å; A97-C127 WeakPolarHBondContact CB-O 3.34Å; V98-C127 PolarHBondContact N-O 2.98Å; V98-C127 PolarHBondContact O-N 3.37Å; C127-S168 PolarHBondContact SG-O 3.2Å
128H93.6Very high80.6Confident82 Ų8264.5 Ų64.538%0.3835%0.35SS..EExtended strand (participates in β ladder)trans-89.1142.8169.3-71.7-72.6000110.4Y84 L125 D130Y84-H128 PolarHBondContact OH-CE1 2.84Å; L125-H128 WeakPolarHBondContact CD2-NE2 3.46Å; H128-D130 VanDerWaalsContact C-N 3.34Å
129L90.8Very high82.5Confident2 Ų258 Ų581%0.0132%0.32CS..  trans-105.637172.6-59.5175.9000110.5A96 V98 V140 V151 W162 L164 A171A96-L129 HydrophobicContact CB-CB 3.85Å; A96-L129 PolarHBondContact O-N 3.27Å; V98-L129 HydrophobicContact CG2-CD1 3.75Å; V98-L129 HydrophobicContact CG2-CD2 4.16Å; V98-L129 HydrophobicContact CG2-CG 3.97Å; L129-V140 HydrophobicContact CD1-CG1 3.75Å; L129-V140 HydrophobicContact CD1-CG2 3.92Å; L129-V151 HydrophobicContact CD1-CG2 3.91Å; L129-V151 HydrophobicContact CD2-CG2 3.9Å; L129-W162 VanDerWaalsContact C-CZ2 3.46Å; L129-W162 HydrophobicContact CB-CZ2 4.36Å; L129-W162 HydrophobicContact CD2-CB 4.37Å; L129-W162 HydrophobicContact CD2-CD2 3.92Å; L129-W162 HydrophobicContact CD2-CE3 4.2Å; L129-W162 HydrophobicContact CD2-CG 3.99Å; L129-W162 VanDerWaalsContact O-CZ2 3.24Å; L129-W162 WeakPolarHBondContact O-CZ2 3.49Å; L129-L164 HydrophobicContact CD2-CD2 4.18Å; L129-A171 HydrophobicContact CD2-CB 3.73Å
130D75.8Confident84.3Confident54 Ų5450.9 Ų50.929%0.28928%0.282SS..  trans-111.1118-178.8-63.8-21.6000108.2C95 A96 H128C95-D130 WeakPolarHBondContact CB-OD2 3.45Å; C95-D130 PolarHBondContact SG-OD2 3.36Å; A96-D130 PolarHBondContact N-OD1 3.27Å; H128-D130 VanDerWaalsContact C-N 3.34Å
131D68.5Low85.6Confident50 Ų5048.6 Ų48.627%0.26727%0.266SS..BIsolated β-bridgetrans-88.1134.5165-178.46.4000108.5A133 H134 L160 W162D131-A133 PolarHBondContact O-N 3.49Å; D131-A133 PolarHBondContact OD1-N 2.96Å; D131-H134 HydrophobicContact CB-CB 4.27Å; D131-H134 CarbonylContact O-C 3.42Å; D131-H134 PolarHBondContact O-N 2.92Å; D131-H134 VanDerWaalsContact O-O 3.09Å; D131-H134 IonicContact OD2-CE1 3.26Å; D131-H134 PolarHBondContact OD2-CE1 3.36Å; D131-H134 VanDerWaalsContact OD2-CE1 3.26Å; D131-H134 IonicContact OD2-ND1 2.89Å; D131-H134 PolarHBondContact OD2-ND1 2.75Å; D131-L160 HydrophobicContact CB-CD1 4.4Å; D131-W162 HydrophobicContact CB-CH2 4.31Å
132S62.8Low86Confident102 Ų10246.9 Ų46.971%0.71326%0.258SS*.THydrogen-bonded Turntrans-52.3-25.6178.762.60000114
133A61.3Low86.3Confident72 Ų7245.1 Ų45.160%0.59525%0.245SC*.THydrogen-bonded Turntrans-85.1-24.5176.300000114.4D131D131-A133 PolarHBondContact O-N 3.49Å; D131-A133 PolarHBondContact OD1-N 2.96Å
134H69.8Low86.3Confident35 Ų3546.3 Ų46.316%0.16225%0.253CS..BIsolated β-bridgetrans-123.394.8-169.4-53.4105.7000109.5D131 A155 H158 L160D131-H134 HydrophobicContact CB-CB 4.27Å; D131-H134 CarbonylContact O-C 3.42Å; D131-H134 PolarHBondContact O-N 2.92Å; D131-H134 VanDerWaalsContact O-O 3.09Å; D131-H134 IonicContact OD2-CE1 3.26Å; D131-H134 PolarHBondContact OD2-CE1 3.36Å; D131-H134 VanDerWaalsContact OD2-CE1 3.26Å; D131-H134 IonicContact OD2-ND1 2.89Å; D131-H134 PolarHBondContact OD2-ND1 2.75Å; H134-A155 HydrophobicContact CB-CB 4.43Å; H134-H158 AromaticContact CD2-CD2 3.4Å; H134-H158 PolarHBondContact CD2-CD2 3.13Å; H134-H158 AromaticContact CD2-CE1 3.66Å; H134-H158 AromaticContact CD2-CG 3.39Å; H134-H158 AromaticContact CD2-ND1 3.58Å; H134-H158 AromaticContact CD2-NE2 3.58Å; H134-H158 AromaticContact NE2-CE1 3.56Å; H134-H158 AromaticContact NE2-CG 3.89Å; H134-H158 AromaticContact NE2-ND1 3.56Å; H134-H158 AromaticContact NE2-NE2 3.92Å; H134-L160 HydrophobicContact CB-CD1 3.9Å
135R69.1Low85.8Confident156 Ų15649.2 Ų49.259%0.58927%0.269SS*.  trans-97.3166.6-175.6-63.9-178.2-178.5-115.2-1110.8
136N86.1Confident85.3Confident51 Ų5146.7 Ų46.727%0.27326%0.26SS..  trans68.169.7175.8-47.2-46.8000114.5S94 A138 A155 D156S94-N136 WeakPolarHBondContact O-CA 3.27Å; S94-N136 PolarHBondContact O-N 3.44Å; N136-A138 PolarHBondContact O-N 3.25Å; N136-A155 WeakPolarHBondContact O-CA 3.35Å; N136-D156 PolarHBondContact ND2-OD1 3.17Å; N136-D156 PolarHBondContact ND2-OD2 3.12Å; N136-D156 PolarHBondContact O-N 2.76Å
137A89.4Confident85.1Confident7 Ų750.1 Ų50.16%0.05828%0.279CS..EExtended strand (participates in β ladder)trans-68.1124.7173.400000111.5S94 A96 L154S94-A137 WeakPolarHBondContact CB-O 3.42Å; S94-A137 PolarHBondContact O-N 3.24Å; A96-A137 HydrophobicContact CB-CB 3.61Å; A137-L154 CarbonylContact C-O 3.48Å; A137-L154 WeakPolarHBondContact CA-O 3.49Å
138A90.9Very high85Confident42 Ų4249.9 Ų49.935%0.34728%0.278SS..EExtended strand (participates in β ladder)trans-90.6-42.2176.200000112.1N136 L154N136-A138 PolarHBondContact O-N 3.25Å; A138-L154 PolarHBondContact N-O 3.45Å
139C93.3Very high85Confident6 Ų649.6 Ų49.64%0.04128%0.276CS..EExtended strand (participates in β ladder)trans-152159.3178.1690000112.3C83 S153 L154C83-C139 WeakPolarHBondContact SG-CA 3.31Å; C139-S153 WeakPolarHBondContact O-CA 3.19Å; C139-L154 PolarHBondContact O-N 2.93Å; C139-L154 WeakPolarHBondContact SG-CD1 3.37Å; C139-L154 WeakPolarHBondContact SG-CG 3.42Å
140V96.6Very high85.2Confident0 Ų054.8 Ų54.80%030%0.295CS..EExtended strand (participates in β ladder)trans-124.6131.3170.6176.50000108.8H69 S81 A96 L129 V151 I152H69-V140 PolarHBondContact CE1-O 2.79Å; H69-V140 PolarHBondContact ND1-N 3.04Å; H69-V140 PolarHBondContact ND1-O 3.42Å; S81-V140 VanDerWaalsContact OG-CG1 3.24Å; S81-V140 WeakPolarHBondContact OG-CG1 3.46Å; A96-V140 HydrophobicContact CB-CG2 3.64Å; L129-V140 HydrophobicContact CD1-CG1 3.75Å; L129-V140 HydrophobicContact CD1-CG2 3.92Å; V140-V151 HydrophobicContact CG1-CB 4.24Å; V140-I152 CarbonylContact C-O 3.53Å; V140-I152 VanDerWaalsContact CA-O 3.3Å; V140-I152 WeakPolarHBondContact CA-O 3.25Å
141L97Very high86.2Confident15 Ų1552.2 Ų52.28%0.07928%0.282CS..EExtended strand (participates in β ladder)trans-122.3126.9-176.1-53.5171.2000109.1V151 I152 G190 L201L141-V151 CarbonylContact O-C 3.49Å; L141-V151 VanDerWaalsContact O-CA 3.27Å; L141-V151 WeakPolarHBondContact O-CA 3.42Å; L141-I152 HydrophobicContact CB-CB 4.49Å; L141-I152 PolarHBondContact N-O 2.91Å; L141-I152 PolarHBondContact O-N 2.77Å; L141-G190 VanDerWaalsContact CD1-C 3.42Å; L141-G190 VanDerWaalsContact CD1-O 3.28Å; L141-G190 WeakPolarHBondContact CD1-O 3.31Å; L141-G190 VanDerWaalsContact CD2-O 3.3Å; L141-G190 WeakPolarHBondContact CD2-O 3.44Å; L141-L201 HydrophobicContact CD1-CD1 3.72Å
142W97.1Very high87.6Confident21 Ų2149.9 Ų49.98%0.0827%0.269CS..EExtended strand (participates in β ladder)trans-82.6148.2172.2-64.789000110.6A71 A72 P74 V79 S81 V98 P144 G148 V151 L164A71-W142 PolarHBondContact O-NE1 2.8Å; A72-W142 VanDerWaalsContact O-CD1 3.3Å; P74-W142 HydrophobicContact CG-CB 4.15Å; V79-W142 HydrophobicContact CG1-CH2 3.78Å; V79-W142 HydrophobicContact CG1-CZ2 4.14Å; S81-W142 PolarHBondContact OG-NE1 3.06Å; S81-W142 VanDerWaalsContact OG-NE1 3.11Å; V98-W142 HydrophobicContact CG1-CH2 4Å; V98-W142 HydrophobicContact CG1-CZ2 4.24Å; W142-P144 VanDerWaalsContact O-CD 3.28Å; W142-P144 WeakPolarHBondContact O-CD 3.26Å; W142-G148 WeakPolarHBondContact CZ3-O 3.48Å; W142-V151 HydrophobicContact CD2-CG1 3.47Å; W142-V151 VanDerWaalsContact CD2-CG1 3.47Å; W142-V151 HydrophobicContact CE3-CG1 3.22Å; W142-V151 HydrophobicContact CG-CG1 4.12Å; W142-V151 HydrophobicContact CH2-CG1 3.99Å; W142-V151 HydrophobicContact CZ2-CG1 4.22Å; W142-V151 HydrophobicContact CZ3-CG1 3.5Å; W142-L164 HydrophobicContact CH2-CD1 3.8Å; W142-L164 HydrophobicContact CZ3-CD1 3.58Å
143E96.3Very high89.1Confident25 Ų2545 Ų4512%0.11724%0.235CC..PPolyproline II helixtrans-59.8118168.8-173.5-180-115.300109.2M145 G146 R150 W192 C198E143-M145 PolarHBondContact O-N 3.35Å; E143-G146 PolarHBondContact O-N 3.49Å; E143-R150 HydrophobicContact CB-CB 3.83Å; E143-R150 PolarHBondContact N-O 3.44Å; E143-R150 VanDerWaalsContact OE1-CD 3.24Å; E143-R150 WeakPolarHBondContact OE1-CD 3.38Å; E143-R150 IonicContact OE1-NH1 3.46Å; E143-R150 PolarHBondContact OE1-NH1 2.85Å; E143-W192 HydrophobicContact CB-CE3 4.37Å; E143-W192 HydrophobicContact CB-CH2 3.85Å; E143-W192 HydrophobicContact CB-CZ2 4.08Å; E143-W192 HydrophobicContact CB-CZ3 3.99Å; E143-W192 HydrophobicContact CG-CH2 4.14Å; E143-W192 HydrophobicContact CG-CZ2 3.87Å; E143-C198 HydrophobicContact CG-CB 3.76Å
144P92.5Very high90.7Very high36 Ų3641.6 Ų41.623%0.23421%0.207CC..THydrogen-bonded Turntrans-61.6135.8-176.6-22.933000111.3W142 G146 W192 P194 C198W142-P144 VanDerWaalsContact O-CD 3.28Å; W142-P144 WeakPolarHBondContact O-CD 3.26Å; P144-G146 PolarHBondContact O-N 3.28Å; P144-W192 VanDerWaalsContact CD-CG 3.43Å; P144-W192 HydrophobicContact CG-CB 3.76Å; P144-W192 HydrophobicContact CG-CG 4.05Å; P144-P194 HydrophobicContact CB-CB 4.38Å; P144-C198 PolarHBondContact O-SG 3.05Å; P144-C198 VanDerWaalsContact O-SG 3.36Å
145M84.8Confident91.8Very high179 Ų17940.1 Ų40.188%0.88220%0.2SC*.THydrogen-bonded Turntrans54.219-179.8-52.5-61.6168.200114.1E143E143-M145 PolarHBondContact O-N 3.35Å
146G86.6Confident92.8Very high19 Ų1934.5 Ų34.520%0.19618%0.182CC..SBendtrans-83.2-180179.100000112.8E143 P144 G148E143-G146 PolarHBondContact O-N 3.49Å; P144-G146 PolarHBondContact O-N 3.28Å; G146-G148 PolarHBondContact O-N 3.18Å
147D91Very high93Very high86 Ų8634.1 Ų34.146%0.4618%0.18SC..  trans-81.512.8179.370.5-12.8000113.8A75 K149A75-D147 VanDerWaalsContact CB-C 3.41Å; D147-K149 VanDerWaalsContact C-N 3.25Å; D147-K149 PolarHBondContact O-N 2.84Å; D147-K149 VanDerWaalsContact OD1-CB 3.27Å; D147-K149 WeakPolarHBondContact OD1-CB 3.19Å; D147-K149 WeakPolarHBondContact OD1-CG 3.4Å; D147-K149 PolarHBondContact OD1-N 2.88Å; D147-K149 VanDerWaalsContact OD1-N 3.08Å; D147-K149 VanDerWaalsContact OD2-CD 3.28Å; D147-K149 WeakPolarHBondContact OD2-CD 3.13Å; D147-K149 WeakPolarHBondContact OD2-CE 3.46Å; D147-K149 IonicContact OD2-NZ 2.77Å; D147-K149 PolarHBondContact OD2-NZ 2.87Å
148G91.9Very high93.2Very high7 Ų735.4 Ų35.47%0.07219%0.185CC..SBendtrans69.518.3-177.400000113.8W142 G146W142-G148 WeakPolarHBondContact CZ3-O 3.48Å; G146-G148 PolarHBondContact O-N 3.18Å
149K93.9Very high93.3Very high76 Ų7633.6 Ų33.633%0.3317%0.17SC..  trans-102.8-5.4178.8-60-172.9-166.6121.60114.6D147 D163 L164D147-K149 VanDerWaalsContact C-N 3.25Å; D147-K149 PolarHBondContact O-N 2.84Å; D147-K149 VanDerWaalsContact OD1-CB 3.27Å; D147-K149 WeakPolarHBondContact OD1-CB 3.19Å; D147-K149 WeakPolarHBondContact OD1-CG 3.4Å; D147-K149 PolarHBondContact OD1-N 2.88Å; D147-K149 VanDerWaalsContact OD1-N 3.08Å; D147-K149 VanDerWaalsContact OD2-CD 3.28Å; D147-K149 WeakPolarHBondContact OD2-CD 3.13Å; D147-K149 WeakPolarHBondContact OD2-CE 3.46Å; D147-K149 IonicContact OD2-NZ 2.77Å; D147-K149 PolarHBondContact OD2-NZ 2.87Å; K149-D163 CarbonylContact O-C 3.59Å; K149-D163 WeakPolarHBondContact O-CA 3.45Å; K149-L164 PolarHBondContact O-N 3.04Å
150R95.5Very high93.4Very high111 Ų11133.3 Ų33.342%0.41917%0.168SC..EExtended strand (participates in β ladder)trans-122.4127.9-178.3-75.1177.4172.6176.93.5111.5E143 W162 D163 W192E143-R150 HydrophobicContact CB-CB 3.83Å; E143-R150 PolarHBondContact N-O 3.44Å; E143-R150 VanDerWaalsContact OE1-CD 3.24Å; E143-R150 WeakPolarHBondContact OE1-CD 3.38Å; E143-R150 IonicContact OE1-NH1 3.46Å; E143-R150 PolarHBondContact OE1-NH1 2.85Å; R150-W162 WeakPolarHBondContact CA-O 3.39Å; R150-D163 IonicContact NE-OD1 2.78Å; R150-W192 HydrophobicContact CB-CH2 4.33Å
151V96.4Very high93.3Very high0 Ų034.1 Ų34.10%017%0.172CC..EExtended strand (participates in β ladder)trans-136.2147.9176-61.50000110.6L129 V140 L141 W142 W162 L164L129-V151 HydrophobicContact CD1-CG2 3.91Å; L129-V151 HydrophobicContact CD2-CG2 3.9Å; V140-V151 HydrophobicContact CG1-CB 4.24Å; L141-V151 CarbonylContact O-C 3.49Å; L141-V151 VanDerWaalsContact O-CA 3.27Å; L141-V151 WeakPolarHBondContact O-CA 3.42Å; W142-V151 HydrophobicContact CD2-CG1 3.47Å; W142-V151 VanDerWaalsContact CD2-CG1 3.47Å; W142-V151 HydrophobicContact CE3-CG1 3.22Å; W142-V151 HydrophobicContact CG-CG1 4.12Å; W142-V151 HydrophobicContact CH2-CG1 3.99Å; W142-V151 HydrophobicContact CZ2-CG1 4.22Å; W142-V151 HydrophobicContact CZ3-CG1 3.5Å; V151-W162 HydrophobicContact CG2-CB 3.68Å; V151-W162 HydrophobicContact CG2-CG 4.13Å; V151-W162 PolarHBondContact N-O 3.4Å; V151-W162 PolarHBondContact O-N 3.43Å; V151-L164 HydrophobicContact CG1-CD1 3.93Å; V151-L164 HydrophobicContact CG2-CD1 4.29Å; V151-L164 HydrophobicContact CG2-CD2 4.27Å; V151-L164 HydrophobicContact CG2-CG 4.29Å
152I96.6Very high93.3Very high2 Ų234 Ų341%0.0117%0.171CC..EExtended strand (participates in β ladder)trans-110.5128.6169.8-71.4168.6000108.5V140 L141 L154 A159 L160 L161 W192 L201 L214V140-I152 CarbonylContact C-O 3.53Å; V140-I152 VanDerWaalsContact CA-O 3.3Å; V140-I152 WeakPolarHBondContact CA-O 3.25Å; L141-I152 HydrophobicContact CB-CB 4.49Å; L141-I152 PolarHBondContact N-O 2.91Å; L141-I152 PolarHBondContact O-N 2.77Å; I152-L154 HydrophobicContact CG2-CD2 3.8Å; I152-A159 HydrophobicContact CG2-CB 4.41Å; I152-L160 CarbonylContact C-O 3.53Å; I152-L160 WeakPolarHBondContact CA-O 3.46Å; I152-L161 HydrophobicContact CD1-CD1 4.27Å; I152-L161 HydrophobicContact CG1-CB 4.35Å; I152-L161 HydrophobicContact CG1-CD1 3.69Å; I152-W192 HydrophobicContact CB-CE3 4.44Å; I152-W192 HydrophobicContact CB-CZ3 4.19Å; I152-W192 HydrophobicContact CD1-CD2 4.04Å; I152-W192 HydrophobicContact CD1-CE3 3.49Å; I152-W192 VanDerWaalsContact CD1-CE3 3.49Å; I152-W192 HydrophobicContact CD1-CH2 3.73Å; I152-W192 HydrophobicContact CD1-CZ2 4.23Å; I152-W192 HydrophobicContact CD1-CZ3 3.33Å; I152-W192 HydrophobicContact CG1-CE3 3.98Å; I152-W192 HydrophobicContact CG1-CH2 4Å; I152-W192 HydrophobicContact CG1-CZ3 3.44Å; I152-W192 VanDerWaalsContact CG1-CZ3 3.44Å; I152-L201 HydrophobicContact CD1-CD1 4.07Å; I152-L201 HydrophobicContact CD1-CD2 4.2Å; I152-L201 HydrophobicContact CD1-CG 4.49Å; I152-L201 HydrophobicContact CG2-CD2 4.24Å; I152-L214 HydrophobicContact CD1-CD1 3.84Å; I152-L214 HydrophobicContact CD1-CD2 3.64Å; I152-L214 HydrophobicContact CD1-CG 4.42Å
153S95.8Very high93.2Very high0 Ų035.9 Ų35.90%018%0.182CC..EExtended strand (participates in β ladder)trans-103.9135.116468.20000110.1C139 L160 W162C139-S153 WeakPolarHBondContact O-CA 3.19Å; S153-L160 PolarHBondContact N-O 2.9Å; S153-L160 PolarHBondContact O-N 2.84Å; S153-W162 PolarHBondContact OG-NE1 2.9Å
154L94.8Very high93.1Very high0 Ų035.1 Ų35.10%018%0.179CC..EExtended strand (participates in β ladder)trans-99114.3170.2-57.2-169.2000108.3A137 A138 C139 I152 H158 A159 F187 L201 T203A137-L154 CarbonylContact C-O 3.48Å; A137-L154 WeakPolarHBondContact CA-O 3.49Å; A138-L154 PolarHBondContact N-O 3.45Å; C139-L154 PolarHBondContact O-N 2.93Å; C139-L154 WeakPolarHBondContact SG-CD1 3.37Å; C139-L154 WeakPolarHBondContact SG-CG 3.42Å; I152-L154 HydrophobicContact CG2-CD2 3.8Å; L154-H158 WeakPolarHBondContact CA-O 3.33Å; L154-A159 HydrophobicContact CD2-CB 3.46Å; L154-A159 VanDerWaalsContact CD2-CB 3.46Å; L154-F187 HydrophobicContact CB-CB 4.19Å; L154-F187 HydrophobicContact CB-CD2 4.45Å; L154-F187 HydrophobicContact CD1-CB 4.03Å; L154-F187 HydrophobicContact CD1-CG 4.42Å; L154-F187 HydrophobicContact CD2-CD2 4.35Å; L154-L201 HydrophobicContact CD2-CD2 4.33Å; L154-T203 HydrophobicContact CD1-CG2 4.2Å; L154-T203 HydrophobicContact CD2-CG2 4.28Å
155A92.2Very high93Very high3 Ų337.7 Ų37.73%0.02519%0.188CC..EExtended strand (participates in β ladder)trans-129.4119-177.800000110.5H134 N136 N157 H158H134-A155 HydrophobicContact CB-CB 4.43Å; N136-A155 WeakPolarHBondContact O-CA 3.35Å; A155-N157 PolarHBondContact O-N 2.91Å; A155-H158 PolarHBondContact N-O 2.82Å; A155-H158 PolarHBondContact O-N 2.82Å
156D90Very high92.9Very high38 Ų3837.6 Ų37.620%0.20319%0.185CC..THydrogen-bonded Turntrans44.3-111.4-168.9-75.2-43.5000111.4N136 K186 F187N136-D156 PolarHBondContact ND2-OD1 3.17Å; N136-D156 PolarHBondContact ND2-OD2 3.12Å; N136-D156 PolarHBondContact O-N 2.76Å; D156-K186 CarbonylContact O-C 3.49Å; D156-K186 VanDerWaalsContact O-CA 3.29Å; D156-K186 WeakPolarHBondContact O-CA 3.35Å; D156-K186 WeakPolarHBondContact OD1-CE 3.37Å; D156-K186 IonicContact OD1-NZ 3.78Å; D156-K186 PolarHBondContact OD1-NZ 3.3Å; D156-F187 PolarHBondContact O-N 2.96Å
157N91.6Very high92.7Very high44 Ų4439.3 Ų39.324%0.23520%0.195CC..THydrogen-bonded Turntrans-101.314.5178.366.1-45.2000114.4A155 L179 L185 F187A155-N157 PolarHBondContact O-N 2.91Å; N157-L179 HydrophobicContact CB-CB 4.17Å; N157-L179 PolarHBondContact ND2-O 3.41Å; N157-L179 PolarHBondContact O-N 2.89Å; N157-L185 HydrophobicContact CB-CB 4.23Å; N157-L185 WeakPolarHBondContact CB-O 3.41Å; N157-F187 VanDerWaalsContact O-CE2 3.29Å; N157-F187 WeakPolarHBondContact O-CE2 3.44Å
158H92.4Very high92.5Very high34 Ų3435.7 Ų35.716%0.15718%0.176CC..EExtended strand (participates in β ladder)trans-114.3135.5-177-63.6-93.3000111.4H134 L154 A155 L160 T176 A177 T178H134-H158 AromaticContact CD2-CD2 3.4Å; H134-H158 PolarHBondContact CD2-CD2 3.13Å; H134-H158 AromaticContact CD2-CE1 3.66Å; H134-H158 AromaticContact CD2-CG 3.39Å; H134-H158 AromaticContact CD2-ND1 3.58Å; H134-H158 AromaticContact CD2-NE2 3.58Å; H134-H158 AromaticContact NE2-CE1 3.56Å; H134-H158 AromaticContact NE2-CG 3.89Å; H134-H158 AromaticContact NE2-ND1 3.56Å; H134-H158 AromaticContact NE2-NE2 3.92Å; L154-H158 WeakPolarHBondContact CA-O 3.33Å; A155-H158 PolarHBondContact N-O 2.82Å; A155-H158 PolarHBondContact O-N 2.82Å; H158-L160 HydrophobicContact CB-CD2 4.36Å; H158-L160 HydrophobicContact CB-CG 4.49Å; H158-T176 HydrophobicContact CB-CG2 4.38Å; H158-A177 WeakPolarHBondContact CA-O 3.27Å; H158-T178 WeakPolarHBondContact CE1-CG2 3.3Å; H158-T178 PolarHBondContact CE1-OG1 3.27Å; H158-T178 PolarHBondContact ND1-OG1 3.35Å
159A94.2Very high92.2Very high4 Ų438.4 Ų38.43%0.03319%0.191CC..EExtended strand (participates in β ladder)trans-105114.5164.900000107.8I152 L154 T176 A177 F187 L201I152-A159 HydrophobicContact CG2-CB 4.41Å; L154-A159 HydrophobicContact CD2-CB 3.46Å; L154-A159 VanDerWaalsContact CD2-CB 3.46Å; A159-T176 WeakPolarHBondContact O-CA 3.29Å; A159-A177 HydrophobicContact CB-CB 4.34Å; A159-A177 PolarHBondContact N-O 2.84Å; A159-A177 PolarHBondContact O-N 3.18Å; A159-F187 HydrophobicContact CB-CE2 4.27Å; A159-L201 HydrophobicContact CB-CD2 4.01Å
160L94.7Very high92Very high0 Ų040.1 Ų40.10%020%0.2CC..EExtended strand (participates in β ladder)trans-104.8117.4-176.2-58.4173.9000108.6D131 H134 I152 S153 H158 W162 V173 T176D131-L160 HydrophobicContact CB-CD1 4.4Å; H134-L160 HydrophobicContact CB-CD1 3.9Å; I152-L160 CarbonylContact C-O 3.53Å; I152-L160 WeakPolarHBondContact CA-O 3.46Å; S153-L160 PolarHBondContact N-O 2.9Å; S153-L160 PolarHBondContact O-N 2.84Å; H158-L160 HydrophobicContact CB-CD2 4.36Å; H158-L160 HydrophobicContact CB-CG 4.49Å; L160-W162 HydrophobicContact CB-CZ2 4.25Å; L160-W162 HydrophobicContact CD1-CZ2 3.77Å; L160-W162 PolarHBondContact O-NE1 3.06Å; L160-V173 HydrophobicContact CD2-CG1 4.32Å; L160-T176 HydrophobicContact CD2-CG2 3.57Å; L160-T176 VanDerWaalsContact CD2-OG1 3.27Å; L160-T176 WeakPolarHBondContact CD2-OG1 3.36Å
161L95.3Very high91.8Very high17 Ų1735.9 Ų35.99%0.08919%0.189CC..EExtended strand (participates in β ladder)trans-87.3126.2170.4179.664.6000108.7I152 V173 S174 S175 W192 M217I152-L161 HydrophobicContact CD1-CD1 4.27Å; I152-L161 HydrophobicContact CG1-CB 4.35Å; I152-L161 HydrophobicContact CG1-CD1 3.69Å; L161-V173 CarbonylContact O-C 3.6Å; L161-V173 WeakPolarHBondContact O-CA 3.48Å; L161-S174 WeakPolarHBondContact CG-OG 3.33Å; L161-S174 PolarHBondContact O-N 2.89Å; L161-S174 PolarHBondContact O-OG 3.4Å; L161-S175 PolarHBondContact N-O 3.12Å; L161-S175 PolarHBondContact O-N 3.25Å; L161-W192 HydrophobicContact CD1-CH2 3.61Å; L161-W192 HydrophobicContact CD1-CZ3 4.2Å; L161-M217 HydrophobicContact CB-CE 3.56Å; L161-M217 HydrophobicContact CD2-CE 3.65Å; L161-M217 HydrophobicContact CG-CE 4.25Å
162W95.7Very high91.6Very high11 Ų1140 Ų404%0.04222%0.215CC..EExtended strand (participates in β ladder)trans-115.1137.7-178.7-54.779.2000110.3L129 D131 R150 V151 S153 L160 A171 T172 V173L129-W162 VanDerWaalsContact C-CZ2 3.46Å; L129-W162 HydrophobicContact CB-CZ2 4.36Å; L129-W162 HydrophobicContact CD2-CB 4.37Å; L129-W162 HydrophobicContact CD2-CD2 3.92Å; L129-W162 HydrophobicContact CD2-CE3 4.2Å; L129-W162 HydrophobicContact CD2-CG 3.99Å; L129-W162 VanDerWaalsContact O-CZ2 3.24Å; L129-W162 WeakPolarHBondContact O-CZ2 3.49Å; D131-W162 HydrophobicContact CB-CH2 4.31Å; R150-W162 WeakPolarHBondContact CA-O 3.39Å; V151-W162 HydrophobicContact CG2-CB 3.68Å; V151-W162 HydrophobicContact CG2-CG 4.13Å; V151-W162 PolarHBondContact N-O 3.4Å; V151-W162 PolarHBondContact O-N 3.43Å; S153-W162 PolarHBondContact OG-NE1 2.9Å; L160-W162 HydrophobicContact CB-CZ2 4.25Å; L160-W162 HydrophobicContact CD1-CZ2 3.77Å; L160-W162 PolarHBondContact O-NE1 3.06Å; W162-A171 HydrophobicContact CE3-CB 3.74Å; W162-A171 HydrophobicContact CZ3-CB 4.34Å; W162-T172 WeakPolarHBondContact CA-O 3.15Å; W162-V173 HydrophobicContact CD2-CG2 3.91Å; W162-V173 HydrophobicContact CE3-CG2 3.63Å; W162-V173 HydrophobicContact CH2-CG2 3.45Å; W162-V173 VanDerWaalsContact CH2-CG2 3.45Å; W162-V173 HydrophobicContact CZ2-CG2 3.72Å; W162-V173 HydrophobicContact CZ3-CG2 3.41Å; W162-V173 VanDerWaalsContact CZ3-CG2 3.41Å
163D94.7Very high91.4Very high61 Ų6142.5 Ų42.533%0.32623%0.23SC..EExtended strand (participates in β ladder)trans-98.5122.5163.7-66.4-42.1000108.5K149 R150 A171 T172 S174K149-D163 CarbonylContact O-C 3.59Å; K149-D163 WeakPolarHBondContact O-CA 3.45Å; R150-D163 IonicContact NE-OD1 2.78Å; D163-A171 WeakPolarHBondContact O-CA 3.47Å; D163-T172 PolarHBondContact N-O 3.29Å; D163-T172 PolarHBondContact O-N 2.76Å; D163-S174 WeakPolarHBondContact OD2-CB 3.46Å
164L94.5Very high91.2Very high10 Ų1044.7 Ų44.75%0.05225%0.245CC..EExtended strand (participates in β ladder)trans-91.4141.6174.6-56.5176.7000109.7V98 L129 W142 K149 V151 A171V98-L164 HydrophobicContact CG2-CD1 4.48Å; V98-L164 HydrophobicContact CG2-CD2 4.42Å; L129-L164 HydrophobicContact CD2-CD2 4.18Å; W142-L164 HydrophobicContact CH2-CD1 3.8Å; W142-L164 HydrophobicContact CZ3-CD1 3.58Å; K149-L164 PolarHBondContact O-N 3.04Å; V151-L164 HydrophobicContact CG1-CD1 3.93Å; V151-L164 HydrophobicContact CG2-CD1 4.29Å; V151-L164 HydrophobicContact CG2-CD2 4.27Å; V151-L164 HydrophobicContact CG2-CG 4.29Å; L164-A171 HydrophobicContact CD2-CB 3.47Å; L164-A171 VanDerWaalsContact CD2-CB 3.47Å
165Q91Very high90.9Very high90 Ų9047.1 Ų47.142%0.42126%0.262SS..PPolyproline II helixtrans-66.1165.1167.6-71.9-1773.900111.1S167 S168 Q170Q165-S167 PolarHBondContact O-N 2.93Å; Q165-S168 WeakPolarHBondContact O-CA 3.34Å; Q165-S168 PolarHBondContact O-N 2.77Å; Q165-Q170 HydrophobicContact CG-CB 4.15Å; Q165-Q170 PolarHBondContact N-O 3.21Å
166E83.3Confident90.9Very high176 Ų17649.4 Ų49.482%0.82228%0.276SS*.THydrogen-bonded Turntrans-55.3-36.6-177.6-171.5169-158.200113.4S168E166-S168 VanDerWaalsContact C-N 3.31Å
167S81.3Confident91Very high56 Ų5647.8 Ų47.839%0.39227%0.267SS..THydrogen-bonded Turntrans-81.9-4.8174.552.80000114.3Q165 T169Q165-S167 PolarHBondContact O-N 2.93Å; S167-T169 PolarHBondContact O-N 2.9Å; S167-T169 VanDerWaalsContact O-N 3.07Å; S167-T169 PolarHBondContact OG-OG1 3.4Å
168S87.2Confident91Very high10 Ų1048.1 Ų48.17%0.0727%0.271CS..SBendtrans57.211.8-170.6-670000115.3L126 C127 Q165 E166 Q170L126-S168 WeakPolarHBondContact CB-O 3.26Å; C127-S168 PolarHBondContact SG-O 3.2Å; Q165-S168 WeakPolarHBondContact O-CA 3.34Å; Q165-S168 PolarHBondContact O-N 2.77Å; E166-S168 VanDerWaalsContact C-N 3.31Å; S168-Q170 VanDerWaalsContact C-N 3.28Å; S168-Q170 PolarHBondContact O-N 2.62Å
169T86.1Confident90.7Very high63 Ų6346.7 Ų46.739%0.38727%0.265SS..SBendtrans-77.8-11.4-179.353.30000113.7L126 S167L126-T169 HydrophobicContact CD2-CG2 3.96Å; L126-T169 CarbonylContact O-C 3.59Å; L126-T169 WeakPolarHBondContact O-CA 3.46Å; S167-T169 PolarHBondContact O-N 2.9Å; S167-T169 VanDerWaalsContact O-N 3.07Å; S167-T169 PolarHBondContact OG-OG1 3.4Å
170Q87.9Confident90.3Very high112 Ų11254.5 Ų54.552%0.52330%0.301SS..  trans-141.3142.3174.9-65.7-173.7-12.800109.2Q165 S168Q165-Q170 HydrophobicContact CG-CB 4.15Å; Q165-Q170 PolarHBondContact N-O 3.21Å; S168-Q170 VanDerWaalsContact C-N 3.28Å; S168-Q170 PolarHBondContact O-N 2.62Å
171A91.5Very high89.4Confident23 Ų2357.2 Ų57.219%0.1933%0.329CS..EExtended strand (participates in β ladder)trans-126.1139.2176.800000109.3L129 W162 D163 L164L129-A171 HydrophobicContact CD2-CB 3.73Å; W162-A171 HydrophobicContact CE3-CB 3.74Å; W162-A171 HydrophobicContact CZ3-CB 4.34Å; D163-A171 WeakPolarHBondContact O-CA 3.47Å; L164-A171 HydrophobicContact CD2-CB 3.47Å; L164-A171 VanDerWaalsContact CD2-CB 3.47Å
172T92.5Very high88.2Confident87 Ų8766.5 Ų66.553%0.53437%0.368SS..EExtended strand (participates in β ladder)trans-126133.3172.9530000110.1W162 D163 S174W162-T172 WeakPolarHBondContact CA-O 3.15Å; D163-T172 PolarHBondContact N-O 3.29Å; D163-T172 PolarHBondContact O-N 2.76Å; T172-S174 PolarHBondContact O-N 3.02Å
173V92.3Very high87.2Confident54 Ų5469.2 Ų69.233%0.32740%0.4SS..EExtended strand (participates in β ladder)trans-66116.6172.6-177.10000108.3L160 L161 W162L160-V173 HydrophobicContact CD2-CG1 4.32Å; L161-V173 CarbonylContact O-C 3.6Å; L161-V173 WeakPolarHBondContact O-CA 3.48Å; W162-V173 HydrophobicContact CD2-CG2 3.91Å; W162-V173 HydrophobicContact CE3-CG2 3.63Å; W162-V173 HydrophobicContact CH2-CG2 3.45Å; W162-V173 VanDerWaalsContact CH2-CG2 3.45Å; W162-V173 HydrophobicContact CZ2-CG2 3.72Å; W162-V173 HydrophobicContact CZ3-CG2 3.41Å; W162-V173 VanDerWaalsContact CZ3-CG2 3.41Å
174S91.2Very high86.2Confident45 Ų4575.1 Ų75.132%0.31543%0.426SS..EExtended strand (participates in β ladder)trans-89.6-34.9178.567.50000111.4L161 D163 T172L161-S174 WeakPolarHBondContact CG-OG 3.33Å; L161-S174 PolarHBondContact O-N 2.89Å; L161-S174 PolarHBondContact O-OG 3.4Å; D163-S174 WeakPolarHBondContact OD2-CB 3.46Å; T172-S174 PolarHBondContact O-N 3.02Å
175S90.1Very high85.6Confident52 Ų5276.9 Ų76.936%0.36444%0.435SS..EExtended strand (participates in β ladder)trans-161.4155.6-178.2-73.90000111.4L161L161-S175 PolarHBondContact N-O 3.12Å; L161-S175 PolarHBondContact O-N 3.25Å
176T91.9Very high85.5Confident51 Ų5177.2 Ų77.231%0.31344%0.435SS..EExtended strand (participates in β ladder)trans-133.5131.9-179-57.20000110H158 A159 L160H158-T176 HydrophobicContact CB-CG2 4.38Å; A159-T176 WeakPolarHBondContact O-CA 3.29Å; L160-T176 HydrophobicContact CD2-CG2 3.57Å; L160-T176 VanDerWaalsContact CD2-OG1 3.27Å; L160-T176 WeakPolarHBondContact CD2-OG1 3.36Å
177A90.9Very high86Confident3 Ų369.2 Ų69.23%0.02540%0.398CS..EExtended strand (participates in β ladder)trans-103.4138162.600000109.1H158 A159 W212 M217H158-A177 WeakPolarHBondContact CA-O 3.27Å; A159-A177 HydrophobicContact CB-CB 4.34Å; A159-A177 PolarHBondContact N-O 2.84Å; A159-A177 PolarHBondContact O-N 3.18Å; A177-W212 HydrophobicContact CB-CD2 4.28Å; A177-W212 HydrophobicContact CB-CE3 3.81Å; A177-W212 HydrophobicContact CB-CZ3 4.15Å; A177-M217 HydrophobicContact CB-CB 4.25Å; A177-M217 HydrophobicContact CB-SD 3.97Å
178T91.4Very high86.5Confident52 Ų5268.8 Ų68.832%0.31939%0.393SS..EExtended strand (participates in β ladder)trans-122.1132.2-179.6-54.40000109.4H158 E180H158-T178 WeakPolarHBondContact CE1-CG2 3.3Å; H158-T178 PolarHBondContact CE1-OG1 3.27Å; H158-T178 PolarHBondContact ND1-OG1 3.35Å; T178-E180 PolarHBondContact O-N 2.53Å
179L87.9Confident86.9Confident3 Ų369 Ų692%0.01639%0.394CS..  trans-77111.1171176.561.8000109.4N157 L185 F187 N205 R210 W212N157-L179 HydrophobicContact CB-CB 4.17Å; N157-L179 PolarHBondContact ND2-O 3.41Å; N157-L179 PolarHBondContact O-N 2.89Å; L179-L185 HydrophobicContact CD2-CB 3.75Å; L179-L185 HydrophobicContact CD2-CD1 4.14Å; L179-L185 HydrophobicContact CD2-CG 4.39Å; L179-L185 HydrophobicContact CG-CB 4.13Å; L179-L185 HydrophobicContact CG-CD1 3.78Å; L179-F187 HydrophobicContact CB-CE1 4Å; L179-F187 HydrophobicContact CB-CE2 4.31Å; L179-F187 HydrophobicContact CB-CZ 3.63Å; L179-F187 HydrophobicContact CD2-CD1 4.37Å; L179-F187 HydrophobicContact CD2-CE1 3.91Å; L179-F187 HydrophobicContact CD2-CZ 4.37Å; L179-F187 HydrophobicContact CG-CE1 4.47Å; L179-N205 HydrophobicContact CD2-CB 3.67Å; L179-R210 VanDerWaalsContact CD1-CD 3.48Å; L179-R210 VanDerWaalsContact CD1-NE 3.34Å; L179-W212 HydrophobicContact CB-CH2 4.47Å; L179-W212 HydrophobicContact CD1-CH2 4.46Å; L179-W212 HydrophobicContact CD1-CZ2 4.44Å
180E84.3Confident87.4Confident168 Ų16866 Ų6679%0.78538%0.376SS*.  trans-91137.3178.4-62.6-172.2173.300111.6T178T178-E180 PolarHBondContact O-N 2.53Å
181G76.5Confident87.9Confident58 Ų5862.5 Ų62.560%0.59836%0.359SS*.SBendtrans163.5-178.3172.800000112.9
182K70.5Confident88.2Confident211 Ų21162.2 Ų62.292%0.91735%0.353SS*.SBendtrans-87135.5177.9-65.7-177.9-179.3177.30110.1
183G73.7Confident88.3Confident69 Ų6958.2 Ų58.271%0.71133%0.329SS*.SBendtrans106-174.2174.900000113.6L185G183-L185 PolarHBondContact O-N 3.49Å
184Q74.4Confident88.5Confident185 Ų18558.1 Ų58.186%0.86433%0.329SS*.  trans-86.890.3172.7-68.8-164-21.400108.9
185L81.6Confident88.6Confident46 Ų4657.4 Ų57.424%0.24132%0.321CS..  trans-81.5136.4174.8-57.6177.2000108.5N157 L179 G183N157-L185 HydrophobicContact CB-CB 4.23Å; N157-L185 WeakPolarHBondContact CB-O 3.41Å; L179-L185 HydrophobicContact CD2-CB 3.75Å; L179-L185 HydrophobicContact CD2-CD1 4.14Å; L179-L185 HydrophobicContact CD2-CG 4.39Å; L179-L185 HydrophobicContact CG-CB 4.13Å; L179-L185 HydrophobicContact CG-CD1 3.78Å; G183-L185 PolarHBondContact O-N 3.49Å
186K89.4Confident88.6Confident98 Ų9858.6 Ų58.643%0.42632%0.32SS..  trans-142.9136.9174.3-62.5-170.3178-145.10109.4D156D156-K186 CarbonylContact O-C 3.49Å; D156-K186 VanDerWaalsContact O-CA 3.29Å; D156-K186 WeakPolarHBondContact O-CA 3.35Å; D156-K186 WeakPolarHBondContact OD1-CE 3.37Å; D156-K186 IonicContact OD1-NZ 3.78Å; D156-K186 PolarHBondContact OD1-NZ 3.3Å
187F93.1Very high88.5Confident8 Ų863.8 Ų63.84%0.03535%0.346CS..EExtended strand (participates in β ladder)trans-70.8136.2168.8-65.9-55.7000109.7L154 D156 N157 A159 L179 T203 A204 N205 W212L154-F187 HydrophobicContact CB-CB 4.19Å; L154-F187 HydrophobicContact CB-CD2 4.45Å; L154-F187 HydrophobicContact CD1-CB 4.03Å; L154-F187 HydrophobicContact CD1-CG 4.42Å; L154-F187 HydrophobicContact CD2-CD2 4.35Å; D156-F187 PolarHBondContact O-N 2.96Å; N157-F187 VanDerWaalsContact O-CE2 3.29Å; N157-F187 WeakPolarHBondContact O-CE2 3.44Å; A159-F187 HydrophobicContact CB-CE2 4.27Å; L179-F187 HydrophobicContact CB-CE1 4Å; L179-F187 HydrophobicContact CB-CE2 4.31Å; L179-F187 HydrophobicContact CB-CZ 3.63Å; L179-F187 HydrophobicContact CD2-CD1 4.37Å; L179-F187 HydrophobicContact CD2-CE1 3.91Å; L179-F187 HydrophobicContact CD2-CZ 4.37Å; L179-F187 HydrophobicContact CG-CE1 4.47Å; F187-T203 HydrophobicContact CD1-CG2 4.19Å; F187-T203 HydrophobicContact CE1-CG2 4.05Å; F187-T203 VanDerWaalsContact CE1-OG1 3.27Å; F187-T203 WeakPolarHBondContact CE1-OG1 3.42Å; F187-T203 HydrophobicContact CZ-CG2 4.4Å; F187-A204 WeakPolarHBondContact CA-O 3.26Å; F187-N205 HydrophobicContact CD1-CB 4.16Å; F187-W212 HydrophobicContact CE1-CZ2 4.12Å; F187-W212 AromaticContact CZ-CZ2 3.84Å; F187-W212 HydrophobicContact CZ-CZ2 3.84Å
188T92.8Very high88.6Confident47 Ų4764.4 Ų64.429%0.28835%0.351SS..EExtended strand (participates in β ladder)trans-98.7-39.2177520000111.5A204 L230 V231T188-A204 PolarHBondContact N-O 3.47Å; T188-A204 VanDerWaalsContact OG1-CB 3.29Å; T188-A204 WeakPolarHBondContact OG1-CB 3.4Å; T188-A204 PolarHBondContact OG1-O 3.03Å; T188-L230 HydrophobicContact CG2-CD1 4Å; T188-L230 HydrophobicContact CG2-CD2 3.95Å; T188-L230 HydrophobicContact CG2-CG 4.08Å; T188-V231 PolarHBondContact OG1-O 2.67Å
189S95.3Very high88.7Confident14 Ų1462.9 Ų62.910%0.09834%0.342CS..EExtended strand (participates in β ladder)trans-153.9165177.8179.30000109.8T203 A204 R232 D233S189-T203 CarbonylContact O-C 3.51Å; S189-T203 WeakPolarHBondContact O-CA 3.27Å; S189-A204 PolarHBondContact O-N 2.8Å; S189-R232 VanDerWaalsContact CB-O 3.29Å; S189-R232 WeakPolarHBondContact CB-O 3.43Å; S189-D233 PolarHBondContact OG-OD1 3.3Å
190G97.1Very high89.1Confident1 Ų164 Ų641%0.0135%0.347CS..EExtended strand (participates in β ladder)trans-154.7163.3164.900000111.8L141 A202L141-G190 VanDerWaalsContact CD1-C 3.42Å; L141-G190 VanDerWaalsContact CD1-O 3.28Å; L141-G190 WeakPolarHBondContact CD1-O 3.31Å; L141-G190 VanDerWaalsContact CD2-O 3.3Å; L141-G190 WeakPolarHBondContact CD2-O 3.44Å; G190-A202 CarbonylContact C-O 3.5Å; G190-A202 WeakPolarHBondContact CA-O 3.33Å
191K97.7Very high89.8Confident37 Ų3756 Ų5616%0.16131%0.31CS..EExtended strand (participates in β ladder)trans-141.1138.2174.9-75.1-63.3-172.5169.30110.5L201 A202 L234 F236K191-L201 WeakPolarHBondContact O-CD1 3.38Å; K191-A202 PolarHBondContact N-O 2.95Å; K191-A202 PolarHBondContact O-N 3.06Å; K191-L234 HydrophobicContact CB-CB 4.44Å; K191-L234 WeakPolarHBondContact CE-O 3.15Å; K191-L234 HydrophobicContact CG-CB 4.08Å; K191-L234 WeakPolarHBondContact CG-O 3.33Å; K191-F236 HydrophobicContact CB-CD2 4.18Å; K191-F236 WeakPolarHBondContact O-CE2 3.17Å
192W96.8Very high90.8Very high17 Ų1753.3 Ų53.36%0.06428%0.281CS..EExtended strand (participates in β ladder)trans-77.1134.9171.8-151.3-51.4000109.2E143 P144 R150 I152 L161 C198 Q200 L214E143-W192 HydrophobicContact CB-CE3 4.37Å; E143-W192 HydrophobicContact CB-CH2 3.85Å; E143-W192 HydrophobicContact CB-CZ2 4.08Å; E143-W192 HydrophobicContact CB-CZ3 3.99Å; E143-W192 HydrophobicContact CG-CH2 4.14Å; E143-W192 HydrophobicContact CG-CZ2 3.87Å; P144-W192 VanDerWaalsContact CD-CG 3.43Å; P144-W192 HydrophobicContact CG-CB 3.76Å; P144-W192 HydrophobicContact CG-CG 4.05Å; R150-W192 HydrophobicContact CB-CH2 4.33Å; I152-W192 HydrophobicContact CB-CE3 4.44Å; I152-W192 HydrophobicContact CB-CZ3 4.19Å; I152-W192 HydrophobicContact CD1-CD2 4.04Å; I152-W192 HydrophobicContact CD1-CE3 3.49Å; I152-W192 VanDerWaalsContact CD1-CE3 3.49Å; I152-W192 HydrophobicContact CD1-CH2 3.73Å; I152-W192 HydrophobicContact CD1-CZ2 4.23Å; I152-W192 HydrophobicContact CD1-CZ3 3.33Å; I152-W192 HydrophobicContact CG1-CE3 3.98Å; I152-W192 HydrophobicContact CG1-CH2 4Å; I152-W192 HydrophobicContact CG1-CZ3 3.44Å; I152-W192 VanDerWaalsContact CG1-CZ3 3.44Å; L161-W192 HydrophobicContact CD1-CH2 3.61Å; L161-W192 HydrophobicContact CD1-CZ3 4.2Å; W192-C198 HydrophobicContact CZ2-CB 4.46Å; W192-C198 WeakPolarHBondContact CZ2-O 3.43Å; W192-C198 VanDerWaalsContact NE1-CB 3.31Å; W192-C198 PolarHBondContact NE1-O 3.21Å; W192-Q200 VanDerWaalsContact CD1-O 3.31Å; W192-L214 HydrophobicContact CD2-CD1 4.15Å; W192-L214 HydrophobicContact CH2-CD1 4.07Å; W192-L214 HydrophobicContact CZ2-CD1 3.3Å
193S96.4Very high92.1Very high3 Ų343.2 Ų43.22%0.02124%0.238CC..  trans-74.8125.2171.4-175.90000110.4H195 C198 Q200 F236S193-H195 PolarHBondContact O-N 3.25Å; S193-H195 PolarHBondContact OG-N 3.27Å; S193-C198 WeakPolarHBondContact O-CA 3.37Å; S193-Q200 WeakPolarHBondContact CB-O 3.16Å; S193-Q200 PolarHBondContact N-O 2.88Å; S193-F236 VanDerWaalsContact CA-CD2 3.49Å
194P94.8Very high93.2Very high53 Ų5340 Ų4034%0.34420%0.204SC..SBendtrans-71.4-8.5175.131.1-35000112.4P144 P238P144-P194 HydrophobicContact CB-CB 4.38Å; P194-P238 HydrophobicContact CG-CB 4.45Å
195H94.4Very high94.1Very high29 Ų2931.6 Ų31.613%0.13417%0.165CC..SBendtrans-85.6166.3-177.9-61.6-70.5000112.4S193 N197 C198 N237 P238 Q241S193-H195 PolarHBondContact O-N 3.25Å; S193-H195 PolarHBondContact OG-N 3.27Å; H195-N197 VanDerWaalsContact C-N 3.34Å; H195-N197 PolarHBondContact O-N 2.85Å; H195-C198 PolarHBondContact O-N 3.29Å; H195-N237 PolarHBondContact NE2-O 2.72Å; H195-P238 PolarHBondContact CE1-O 2.87Å; H195-P238 PolarHBondContact NE2-O 3.48Å; H195-Q241 HydrophobicContact CB-CG 4.37Å
196H89.7Confident94.7Very high77 Ų7734 Ų3436%0.35618%0.178SC..G310 helixtrans53.345.5171.3-61.8-73.3000114.3C198 S199 Q200 Q241 Y242H196-C198 PolarHBondContact O-N 2.84Å; H196-S199 WeakPolarHBondContact CB-OG 3.49Å; H196-S199 WeakPolarHBondContact O-CB 3.04Å; H196-S199 PolarHBondContact O-N 2.94Å; H196-S199 PolarHBondContact O-OG 3.46Å; H196-Q200 PolarHBondContact CD2-NE2 3.38Å; H196-Q241 PolarHBondContact CE1-NE2 3.36Å; H196-Q241 PolarHBondContact NE2-NE2 3.17Å; H196-Y242 PolarHBondContact CE1-OH 3.29Å; H196-Y242 AromaticContact NE2-CE1 3.43Å; H196-Y242 WeakPolarHBondContact NE2-CE1 3.44Å; H196-Y242 AromaticContact NE2-CZ 3.5Å; H196-Y242 PolarHBondContact NE2-OH 2.7Å
197N90.9Very high95.1Very high160 Ų16030.5 Ų30.586%0.85617%0.165SC*.G310 helixtrans5342-176.3-57.1-16.2000112.1H195 S199H195-N197 VanDerWaalsContact C-N 3.34Å; H195-N197 PolarHBondContact O-N 2.85Å; N197-S199 PolarHBondContact O-N 3.49Å
198C92.8Very high95.3Very high17 Ų1731 Ų3112%0.11517%0.169CC..G310 helixtrans54.441.9176.3-58.80000111.8E143 P144 W192 S193 H195 H196E143-C198 HydrophobicContact CG-CB 3.76Å; P144-C198 PolarHBondContact O-SG 3.05Å; P144-C198 VanDerWaalsContact O-SG 3.36Å; W192-C198 HydrophobicContact CZ2-CB 4.46Å; W192-C198 WeakPolarHBondContact CZ2-O 3.43Å; W192-C198 VanDerWaalsContact NE1-CB 3.31Å; W192-C198 PolarHBondContact NE1-O 3.21Å; S193-C198 WeakPolarHBondContact O-CA 3.37Å; H195-C198 PolarHBondContact O-N 3.29Å; H196-C198 PolarHBondContact O-N 2.84Å
199S93.8Very high95.5Very high19 Ų1928.8 Ų28.813%0.13316%0.155CC..  trans-93.20.3-176.855.60000114.3H196 N197 L214H196-S199 WeakPolarHBondContact CB-OG 3.49Å; H196-S199 WeakPolarHBondContact O-CB 3.04Å; H196-S199 PolarHBondContact O-N 2.94Å; H196-S199 PolarHBondContact O-OG 3.46Å; N197-S199 PolarHBondContact O-N 3.49Å; S199-L214 PolarHBondContact O-N 2.63Å
200Q95.8Very high95.6Very high27 Ų2730.3 Ų30.313%0.12616%0.159CC..EExtended strand (participates in β ladder)trans-128.4145.2-175.4-61.8179.323.700112.4W192 S193 H196 W212 I220W192-Q200 VanDerWaalsContact CD1-O 3.31Å; S193-Q200 WeakPolarHBondContact CB-O 3.16Å; S193-Q200 PolarHBondContact N-O 2.88Å; H196-Q200 PolarHBondContact CD2-NE2 3.38Å; Q200-W212 VanDerWaalsContact CA-O 3.26Å; Q200-W212 WeakPolarHBondContact CA-O 3.43Å; Q200-I220 HydrophobicContact CB-CD1 4.45Å; Q200-I220 HydrophobicContact CG-CD1 3.86Å
201L97.5Very high95.6Very high1 Ų130.2 Ų30.21%0.00516%0.158CC..EExtended strand (participates in β ladder)trans-124.2133.217317577.5000109L141 I152 L154 A159 K191 T203 G211 W212 L214L141-L201 HydrophobicContact CD1-CD1 3.72Å; I152-L201 HydrophobicContact CD1-CD1 4.07Å; I152-L201 HydrophobicContact CD1-CD2 4.2Å; I152-L201 HydrophobicContact CD1-CG 4.49Å; I152-L201 HydrophobicContact CG2-CD2 4.24Å; L154-L201 HydrophobicContact CD2-CD2 4.33Å; A159-L201 HydrophobicContact CB-CD2 4.01Å; K191-L201 WeakPolarHBondContact O-CD1 3.38Å; L201-T203 HydrophobicContact CD2-CG2 3.59Å; L201-T203 HydrophobicContact CG-CG2 3.88Å; L201-G211 CarbonylContact O-C 3.59Å; L201-G211 WeakPolarHBondContact O-CA 3.45Å; L201-W212 HydrophobicContact CB-CB 4.4Å; L201-W212 PolarHBondContact N-O 2.86Å; L201-W212 PolarHBondContact O-N 2.81Å; L201-L214 HydrophobicContact CB-CD1 4.35Å; L201-L214 HydrophobicContact CB-CD2 3.85Å; L201-L214 HydrophobicContact CB-CG 4.21Å; L201-L214 HydrophobicContact CD2-CD2 4.43Å
202A97.9Very high95.6Very high0 Ų029 Ų290%015%0.152CC..EExtended strand (participates in β ladder)trans-98.1139.216300000109.6G190 K191 R210 L234 F236 L244G190-A202 CarbonylContact C-O 3.5Å; G190-A202 WeakPolarHBondContact CA-O 3.33Å; K191-A202 PolarHBondContact N-O 2.95Å; K191-A202 PolarHBondContact O-N 3.06Å; A202-R210 CarbonylContact C-O 3.56Å; A202-R210 WeakPolarHBondContact CA-O 3.46Å; A202-L234 HydrophobicContact CB-CD1 3.97Å; A202-F236 HydrophobicContact CB-CE2 3.51Å; A202-F236 HydrophobicContact CB-CZ 3.57Å; A202-L244 HydrophobicContact CB-CD1 4.25Å; A202-L244 HydrophobicContact CB-CD2 4.16Å
203T97.8Very high95.6Very high0 Ų029.1 Ų29.10%015%0.154CC..EExtended strand (participates in β ladder)trans-131.6141.3175.561.80000110.2L154 F187 S189 L201 I209 R210 W212L154-T203 HydrophobicContact CD1-CG2 4.2Å; L154-T203 HydrophobicContact CD2-CG2 4.28Å; F187-T203 HydrophobicContact CD1-CG2 4.19Å; F187-T203 HydrophobicContact CE1-CG2 4.05Å; F187-T203 VanDerWaalsContact CE1-OG1 3.27Å; F187-T203 WeakPolarHBondContact CE1-OG1 3.42Å; F187-T203 HydrophobicContact CZ-CG2 4.4Å; S189-T203 CarbonylContact O-C 3.51Å; S189-T203 WeakPolarHBondContact O-CA 3.27Å; L201-T203 HydrophobicContact CD2-CG2 3.59Å; L201-T203 HydrophobicContact CG-CG2 3.88Å; T203-I209 WeakPolarHBondContact O-CA 3.39Å; T203-R210 PolarHBondContact N-O 3.31Å; T203-R210 PolarHBondContact O-N 2.81Å; T203-W212 PolarHBondContact OG1-NE1 3.41Å
204A97.1Very high95.5Very high0 Ų029.6 Ų29.60%016%0.157CC..EExtended strand (participates in β ladder)trans-97.2136.9170.500000109.9F187 T188 S189 V231 L234F187-A204 WeakPolarHBondContact CA-O 3.26Å; T188-A204 PolarHBondContact N-O 3.47Å; T188-A204 VanDerWaalsContact OG1-CB 3.29Å; T188-A204 WeakPolarHBondContact OG1-CB 3.4Å; T188-A204 PolarHBondContact OG1-O 3.03Å; S189-A204 PolarHBondContact O-N 2.8Å; A204-V231 HydrophobicContact CB-CB 3.86Å; A204-V231 HydrophobicContact CB-CG1 3.62Å; A204-L234 HydrophobicContact CB-CD1 3.98Å; A204-L234 HydrophobicContact CB-CG 4.21Å
205N94.5Very high95.4Very high9 Ų936 Ų365%0.04817%0.174CC..EExtended strand (participates in β ladder)trans-142.9121.817174.7-92.6000109.1L179 F187 T207 T208 R210L179-N205 HydrophobicContact CD2-CB 3.67Å; F187-N205 HydrophobicContact CD1-CB 4.16Å; N205-T207 PolarHBondContact O-N 2.92Å; N205-T207 VanDerWaalsContact O-N 3.17Å; N205-T208 PolarHBondContact N-O 2.83Å; N205-T208 WeakPolarHBondContact O-CB 3.33Å; N205-T208 PolarHBondContact O-N 3.15Å; N205-R210 PolarHBondContact OD1-NE 3.26Å
206D94.4Very high95.4Very high97 Ų9738.8 Ų38.852%0.51919%0.193SC..THydrogen-bonded Turntrans50.4-119.5-174.5-165.912.3000111.8L230 V231D206-L230 CarbonylContact O-C 3.52Å; D206-L230 WeakPolarHBondContact O-CA 3.42Å; D206-V231 PolarHBondContact O-N 2.78Å
207T96.4Very high95.5Very high25 Ų2536.5 Ų36.515%0.15318%0.183CC..THydrogen-bonded Turntrans-91.83.2177.464.10000114.1N205 A226 H227N205-T207 PolarHBondContact O-N 2.92Å; N205-T207 VanDerWaalsContact O-N 3.17Å; T207-A226 WeakPolarHBondContact O-CB 3.28Å; T207-A226 PolarHBondContact O-N 2.81Å; T207-H227 WeakPolarHBondContact CB-O 3.46Å; T207-H227 PolarHBondContact O-N 2.81Å
208T96.6Very high95.7Very high18 Ų1831.4 Ų31.411%0.1116%0.16CC..EExtended strand (participates in β ladder)trans-112.9147.8-167.3-57.60000111.5N205 R210 C222 I223N205-T208 PolarHBondContact N-O 2.83Å; N205-T208 WeakPolarHBondContact O-CB 3.33Å; N205-T208 PolarHBondContact O-N 3.15Å; T208-R210 HydrophobicContact CG2-CG 4.19Å; T208-C222 VanDerWaalsContact CG2-SG 3.55Å; T208-I223 WeakPolarHBondContact CG2-O 3.24Å
209I98Very high95.8Very high0 Ų034.4 Ų34.40%017%0.172CC..EExtended strand (participates in β ladder)trans-117.7134.8171.6-56.2169.1000108.8T203 C222 I223 A226 V231 L234 L244 S246T203-I209 WeakPolarHBondContact O-CA 3.39Å; I209-C222 CarbonylContact O-C 3.54Å; I209-C222 WeakPolarHBondContact O-CA 3.18Å; I209-I223 HydrophobicContact CB-CB 4.17Å; I209-I223 HydrophobicContact CB-CD1 4.24Å; I209-I223 HydrophobicContact CB-CG1 4.31Å; I209-I223 HydrophobicContact CD1-CD1 4.49Å; I209-I223 HydrophobicContact CG2-CD1 4.38Å; I209-I223 PolarHBondContact N-O 2.9Å; I209-I223 PolarHBondContact O-N 2.89Å; I209-A226 HydrophobicContact CD1-CB 3.68Å; I209-A226 HydrophobicContact CG1-CB 3.82Å; I209-V231 HydrophobicContact CD1-CG1 4.42Å; I209-V231 HydrophobicContact CG1-CG1 4.24Å; I209-V231 HydrophobicContact CG1-CG2 4.31Å; I209-L234 HydrophobicContact CD1-CD2 3.65Å; I209-L234 HydrophobicContact CG1-CD2 3.93Å; I209-L234 HydrophobicContact CG2-CD1 4.14Å; I209-L234 HydrophobicContact CG2-CD2 4.12Å; I209-L244 HydrophobicContact CG2-CD2 3.87Å; I209-S246 VanDerWaalsContact CD1-CB 3.4Å
210R97.6Very high95.9Very high46 Ų4637 Ų3717%0.17418%0.184CC..EExtended strand (participates in β ladder)trans-126144178.5-68.3175.1-174.8-97.8-7.6110.6L179 A202 T203 N205 T208 W212 Y221 C222L179-R210 VanDerWaalsContact CD1-CD 3.48Å; L179-R210 VanDerWaalsContact CD1-NE 3.34Å; A202-R210 CarbonylContact C-O 3.56Å; A202-R210 WeakPolarHBondContact CA-O 3.46Å; T203-R210 PolarHBondContact N-O 3.31Å; T203-R210 PolarHBondContact O-N 2.81Å; N205-R210 PolarHBondContact OD1-NE 3.26Å; T208-R210 HydrophobicContact CG2-CG 4.19Å; R210-W212 HydrophobicContact CB-CZ2 4.21Å; R210-Y221 WeakPolarHBondContact CA-O 3.37Å; R210-C222 HydrophobicContact CG-CB 4.37Å
211G97.3Very high95.9Very high0 Ų036.8 Ų36.80%018%0.182CC..EExtended strand (participates in β ladder)trans-107.6142.3171.300000110.9L201 Q219 I220 Y221L201-G211 CarbonylContact O-C 3.59Å; L201-G211 WeakPolarHBondContact O-CA 3.45Å; G211-Q219 CarbonylContact O-C 3.59Å; G211-Q219 VanDerWaalsContact O-CA 3.28Å; G211-Q219 WeakPolarHBondContact O-CA 3.32Å; G211-Q219 WeakPolarHBondContact O-CG 3.39Å; G211-I220 VanDerWaalsContact C-CG1 3.42Å; G211-I220 WeakPolarHBondContact O-CG1 3.42Å; G211-I220 PolarHBondContact O-N 2.84Å; G211-Y221 VanDerWaalsContact N-CE2 3.31Å; G211-Y221 PolarHBondContact N-O 2.63Å
212W97.4Very high95.9Very high10 Ų1038 Ų384%0.03819%0.191CC..EExtended strand (participates in β ladder)trans-126.6137.2-179.3-5086.6000110.1A177 L179 F187 Q200 L201 T203 R210 Q219A177-W212 HydrophobicContact CB-CD2 4.28Å; A177-W212 HydrophobicContact CB-CE3 3.81Å; A177-W212 HydrophobicContact CB-CZ3 4.15Å; L179-W212 HydrophobicContact CB-CH2 4.47Å; L179-W212 HydrophobicContact CD1-CH2 4.46Å; L179-W212 HydrophobicContact CD1-CZ2 4.44Å; F187-W212 HydrophobicContact CE1-CZ2 4.12Å; F187-W212 AromaticContact CZ-CZ2 3.84Å; F187-W212 HydrophobicContact CZ-CZ2 3.84Å; Q200-W212 VanDerWaalsContact CA-O 3.26Å; Q200-W212 WeakPolarHBondContact CA-O 3.43Å; L201-W212 HydrophobicContact CB-CB 4.4Å; L201-W212 PolarHBondContact N-O 2.86Å; L201-W212 PolarHBondContact O-N 2.81Å; T203-W212 PolarHBondContact OG1-NE1 3.41Å; R210-W212 HydrophobicContact CB-CZ2 4.21Å; W212-Q219 HydrophobicContact CE3-CB 4.08Å; W212-Q219 HydrophobicContact CZ3-CB 4.06Å
213D96.1Very high95.9Very high20 Ų2038.1 Ų38.111%0.10719%0.191CC..EExtended strand (participates in β ladder)trans-86.2117.7164.2-176-25.7000108.3R215 T216 M217 S218 I220D213-R215 PolarHBondContact O-N 3.39Å; D213-R215 VanDerWaalsContact OD1-CB 3.3Å; D213-R215 WeakPolarHBondContact OD1-CB 3.11Å; D213-R215 IonicContact OD1-CZ 3.04Å; D213-R215 PolarHBondContact OD1-N 3.08Å; D213-R215 IonicContact OD1-NE 2.99Å; D213-R215 PolarHBondContact OD1-NE 3.45Å; D213-R215 VanDerWaalsContact OD1-NE 3.15Å; D213-R215 IonicContact OD1-NH2 3.73Å; D213-R215 IonicContact OD2-CZ 2.72Å; D213-R215 IonicContact OD2-NE 3.52Å; D213-R215 IonicContact OD2-NH2 3.49Å; D213-R215 PolarHBondContact OD2-NH2 3.46Å; D213-T216 WeakPolarHBondContact CB-OG1 3.31Å; D213-T216 PolarHBondContact O-N 2.96Å; D213-M217 WeakPolarHBondContact O-CA 3.37Å; D213-M217 PolarHBondContact O-N 2.88Å; D213-S218 PolarHBondContact N-O 3.34Å; D213-S218 PolarHBondContact O-N 3.25Å; D213-I220 HydrophobicContact CB-CG2 3.68Å
214L94.6Very high95.7Very high14 Ų1444.8 Ų44.87%0.07322%0.222CC..THydrogen-bonded Turntrans-73.2-15.9-175.3-65174.1000113.1I152 W192 S199 L201 M217I152-L214 HydrophobicContact CD1-CD1 3.84Å; I152-L214 HydrophobicContact CD1-CD2 3.64Å; I152-L214 HydrophobicContact CD1-CG 4.42Å; W192-L214 HydrophobicContact CD2-CD1 4.15Å; W192-L214 HydrophobicContact CH2-CD1 4.07Å; W192-L214 HydrophobicContact CZ2-CD1 3.3Å; S199-L214 PolarHBondContact O-N 2.63Å; L201-L214 HydrophobicContact CB-CD1 4.35Å; L201-L214 HydrophobicContact CB-CD2 3.85Å; L201-L214 HydrophobicContact CB-CG 4.21Å; L201-L214 HydrophobicContact CD2-CD2 4.43Å; L214-M217 HydrophobicContact CB-CE 4.45Å; L214-M217 HydrophobicContact CD2-CE 4.11Å; L214-M217 HydrophobicContact CD2-SD 4.17Å; L214-M217 WeakPolarHBondContact O-CE 3.37Å
215R93.3Very high95.7Very high188 Ų18850.6 Ų50.671%0.70925%0.253SS*.THydrogen-bonded Turntrans-80.4-34.3178.3-55.2171.7-60.9136.62.3111.6D213D213-R215 PolarHBondContact O-N 3.39Å; D213-R215 VanDerWaalsContact OD1-CB 3.3Å; D213-R215 WeakPolarHBondContact OD1-CB 3.11Å; D213-R215 IonicContact OD1-CZ 3.04Å; D213-R215 PolarHBondContact OD1-N 3.08Å; D213-R215 IonicContact OD1-NE 2.99Å; D213-R215 PolarHBondContact OD1-NE 3.45Å; D213-R215 VanDerWaalsContact OD1-NE 3.15Å; D213-R215 IonicContact OD1-NH2 3.73Å; D213-R215 IonicContact OD2-CZ 2.72Å; D213-R215 IonicContact OD2-NE 3.52Å; D213-R215 IonicContact OD2-NH2 3.49Å; D213-R215 PolarHBondContact OD2-NH2 3.46Å
216T93.8Very high95.8Very high86 Ų8650.2 Ų50.253%0.52825%0.251SS..THydrogen-bonded Turntrans-105.7-10.7-179.456.20000112.6D213 S218D213-T216 WeakPolarHBondContact CB-OG1 3.31Å; D213-T216 PolarHBondContact O-N 2.96Å; T216-S218 PolarHBondContact O-N 3.18Å; T216-S218 PolarHBondContact OG1-OG 2.75Å
217M92.8Very high96Very high30 Ų3045.7 Ų45.715%0.14823%0.227CC..THydrogen-bonded Turntrans5131.8-169.5-67.2-58.9176.600113.5L161 A177 D213 L214L161-M217 HydrophobicContact CB-CE 3.56Å; L161-M217 HydrophobicContact CD2-CE 3.65Å; L161-M217 HydrophobicContact CG-CE 4.25Å; A177-M217 HydrophobicContact CB-CB 4.25Å; A177-M217 HydrophobicContact CB-SD 3.97Å; D213-M217 WeakPolarHBondContact O-CA 3.37Å; D213-M217 PolarHBondContact O-N 2.88Å; L214-M217 HydrophobicContact CB-CE 4.45Å; L214-M217 HydrophobicContact CD2-CE 4.11Å; L214-M217 HydrophobicContact CD2-SD 4.17Å; L214-M217 WeakPolarHBondContact O-CE 3.37Å
218S94Very high96.1Very high53 Ų5347.5 Ų47.537%0.37125%0.251SS..EExtended strand (participates in β ladder)trans-107.2143.9179.964.90000111.1D213 T216 I220D213-S218 PolarHBondContact N-O 3.34Å; D213-S218 PolarHBondContact O-N 3.25Å; T216-S218 PolarHBondContact O-N 3.18Å; T216-S218 PolarHBondContact OG1-OG 2.75Å; S218-I220 PolarHBondContact O-N 3.15Å
219Q95.3Very high96.1Very high79 Ų7951.3 Ų51.337%0.36927%0.267SS..EExtended strand (participates in β ladder)trans-64.3133171.7-174.4-176.6-66.900111.2G211 W212 Y221G211-Q219 CarbonylContact O-C 3.59Å; G211-Q219 VanDerWaalsContact O-CA 3.28Å; G211-Q219 WeakPolarHBondContact O-CA 3.32Å; G211-Q219 WeakPolarHBondContact O-CG 3.39Å; W212-Q219 HydrophobicContact CE3-CB 4.08Å; W212-Q219 HydrophobicContact CZ3-CB 4.06Å; Q219-Y221 WeakPolarHBondContact CG-O 3.32Å
220I95.8Very high96.1Very high74 Ų7453.2 Ų53.238%0.37928%0.277SS..EExtended strand (participates in β ladder)trans-107.4-28.4179.851.5167.6000113.7Q200 G211 D213 S218Q200-I220 HydrophobicContact CB-CD1 4.45Å; Q200-I220 HydrophobicContact CG-CD1 3.86Å; G211-I220 VanDerWaalsContact C-CG1 3.42Å; G211-I220 WeakPolarHBondContact O-CG1 3.42Å; G211-I220 PolarHBondContact O-N 2.84Å; D213-I220 HydrophobicContact CB-CG2 3.68Å; S218-I220 PolarHBondContact O-N 3.15Å
221Y96.3Very high96.1Very high22 Ų2251 Ų519%0.08627%0.269CS..EExtended strand (participates in β ladder)trans-151.9161.3173.361.7-101.7000111.1R210 G211 Q219 I223 V258R210-Y221 WeakPolarHBondContact CA-O 3.37Å; G211-Y221 VanDerWaalsContact N-CE2 3.31Å; G211-Y221 PolarHBondContact N-O 2.63Å; Q219-Y221 WeakPolarHBondContact CG-O 3.32Å; Y221-I223 HydrophobicContact CD2-CG1 4.34Å; Y221-V258 HydrophobicContact CD1-CB 3.91Å; Y221-V258 HydrophobicContact CD1-CG2 4.2Å; Y221-V258 HydrophobicContact CD2-CB 4.39Å; Y221-V258 HydrophobicContact CE1-CB 3.72Å; Y221-V258 HydrophobicContact CE1-CG1 3.96Å; Y221-V258 HydrophobicContact CE1-CG2 3.88Å; Y221-V258 HydrophobicContact CE2-CB 4.23Å; Y221-V258 HydrophobicContact CE2-CG1 3.94Å; Y221-V258 HydrophobicContact CG-CB 4.25Å
222C96.6Very high96.1Very high28 Ų2854.1 Ų54.119%0.18928%0.28CS..EExtended strand (participates in β ladder)trans-144126.5174.8-176.80000109.1T208 I209 R210T208-C222 VanDerWaalsContact CG2-SG 3.55Å; I209-C222 CarbonylContact O-C 3.54Å; I209-C222 WeakPolarHBondContact O-CA 3.18Å; R210-C222 HydrophobicContact CG-CB 4.37Å
223I97.6Very high96.2Very high2 Ų254.2 Ų54.21%0.0128%0.282CS..EExtended strand (participates in β ladder)trans-103.791174.1-44.3-177.7000106.5T208 I209 Y221 A226 W256 V261T208-I223 WeakPolarHBondContact CG2-O 3.24Å; I209-I223 HydrophobicContact CB-CB 4.17Å; I209-I223 HydrophobicContact CB-CD1 4.24Å; I209-I223 HydrophobicContact CB-CG1 4.31Å; I209-I223 HydrophobicContact CD1-CD1 4.49Å; I209-I223 HydrophobicContact CG2-CD1 4.38Å; I209-I223 PolarHBondContact N-O 2.9Å; I209-I223 PolarHBondContact O-N 2.89Å; Y221-I223 HydrophobicContact CD2-CG1 4.34Å; I223-A226 HydrophobicContact CB-CB 4.18Å; I223-A226 HydrophobicContact CG2-CB 3.74Å; I223-W256 HydrophobicContact CD1-CB 4.02Å; I223-W256 HydrophobicContact CD1-CD2 3.81Å; I223-W256 HydrophobicContact CD1-CE3 4.06Å; I223-W256 HydrophobicContact CD1-CG 3.8Å; I223-W256 HydrophobicContact CG2-CD2 4.13Å; I223-W256 HydrophobicContact CG2-CE3 3.74Å; I223-W256 HydrophobicContact CG2-CH2 3.54Å; I223-W256 HydrophobicContact CG2-CZ2 3.95Å; I223-W256 HydrophobicContact CG2-CZ3 3.42Å; I223-W256 VanDerWaalsContact CG2-CZ3 3.42Å; I223-V261 HydrophobicContact CD1-CG1 4.26Å; I223-V261 HydrophobicContact CG1-CB 3.94Å; I223-V261 HydrophobicContact CG1-CG1 3.76Å
224E95.3Very high96.3Very high140 Ų14053.3 Ų53.365%0.65428%0.277SS*.THydrogen-bonded Turntrans-71.9139177.9-64.3-169.1158.700110.4A226E224-A226 PolarHBondContact O-N 2.87Å
225N95.8Very high96.5Very high122 Ų12253.5 Ų53.565%0.65228%0.278SS*.THydrogen-bonded Turntrans52.139.9-176.8-50.1-65000112.6H227N225-H227 PolarHBondContact O-N 3.32Å
226A97.8Very high96.7Very high0 Ų044.9 Ų44.90%025%0.245CC..SBendtrans-52.7-44.1176.700000110.3T207 I209 I223 E224 K254 W256T207-A226 WeakPolarHBondContact O-CB 3.28Å; T207-A226 PolarHBondContact O-N 2.81Å; I209-A226 HydrophobicContact CD1-CB 3.68Å; I209-A226 HydrophobicContact CG1-CB 3.82Å; I223-A226 HydrophobicContact CB-CB 4.18Å; I223-A226 HydrophobicContact CG2-CB 3.74Å; E224-A226 PolarHBondContact O-N 2.87Å; A226-K254 WeakPolarHBondContact O-CD 3.26Å; A226-K254 WeakPolarHBondContact O-CE 3.5Å; A226-K254 PolarHBondContact O-NZ 3.25Å; A226-W256 HydrophobicContact CB-CH2 4.32Å; A226-W256 HydrophobicContact CB-CZ2 3.81Å; A226-W256 WeakPolarHBondContact O-CZ2 3.38Å
227H98.3Very high96.9Very high3 Ų340.8 Ų40.81%0.01422%0.22CC..SBendtrans-121.8158.5174.2-74.8-100.1000111.6T207 N225 Q229 V231 S246 D250 K252T207-H227 WeakPolarHBondContact CB-O 3.46Å; T207-H227 PolarHBondContact O-N 2.81Å; N225-H227 PolarHBondContact O-N 3.32Å; H227-Q229 WeakPolarHBondContact CB-O 3.5Å; H227-Q229 PolarHBondContact O-N 2.79Å; H227-V231 HydrophobicContact CB-CG2 3.94Å; H227-S246 PolarHBondContact NE2-OG 3.05Å; H227-D250 WeakPolarHBondContact CA-OD2 3.39Å; H227-D250 VanDerWaalsContact CB-OD2 3.31Å; H227-D250 WeakPolarHBondContact CB-OD2 3.4Å; H227-D250 IonicContact CE1-OD1 2.79Å; H227-D250 IonicContact CG-OD1 3.6Å; H227-D250 IonicContact CG-OD2 2.65Å; H227-D250 VanDerWaalsContact ND1-CG 3.33Å; H227-D250 IonicContact ND1-OD1 2.79Å; H227-D250 PolarHBondContact ND1-OD1 3.25Å; H227-D250 IonicContact ND1-OD2 2.7Å; H227-D250 PolarHBondContact ND1-OD2 2.87Å; H227-D250 VanDerWaalsContact ND1-OD2 3.15Å; H227-K252 PolarHBondContact CE1-O 2.87Å
228G97.3Very high97Very high63 Ų6340.7 Ų40.765%0.64922%0.222SC*.SBendtrans-75.3-13.2175.700000113.7D250G228-D250 PolarHBondContact N-OD2 2.93Å
229Q97.6Very high97Very high97 Ų9741.5 Ų41.545%0.45322%0.222SC..SBendtrans-143.7-169177.2-59.4-171.718.900109.2H227 V231 D249 D250H227-Q229 WeakPolarHBondContact CB-O 3.5Å; H227-Q229 PolarHBondContact O-N 2.79Å; Q229-V231 PolarHBondContact O-N 2.76Å; Q229-D249 HydrophobicContact CB-CB 3.67Å; Q229-D249 PolarHBondContact OE1-O 2.7Å; Q229-D250 HydrophobicContact CB-CB 4.29Å; Q229-D250 HydrophobicContact CG-CB 4.32Å
230L97.4Very high96.9Very high40 Ų4041 Ų4121%0.20922%0.217CC..  trans-55.4130.5-174.8-158.588.8000112.2T188 D206 G248 D249T188-L230 HydrophobicContact CG2-CD1 4Å; T188-L230 HydrophobicContact CG2-CD2 3.95Å; T188-L230 HydrophobicContact CG2-CG 4.08Å; D206-L230 CarbonylContact O-C 3.52Å; D206-L230 WeakPolarHBondContact O-CA 3.42Å; L230-G248 CarbonylContact O-C 3.51Å; L230-G248 WeakPolarHBondContact O-CA 3.35Å; L230-D249 HydrophobicContact CB-CB 4.42Å; L230-D249 PolarHBondContact O-N 3.22Å
231V98.4Very high96.8Very high0 Ų041.1 Ų41.10%022%0.216CC..EExtended strand (participates in β ladder)trans-78.8122.3168.8-175.80000108.6T188 A204 D206 I209 H227 Q229 L234T188-V231 PolarHBondContact OG1-O 2.67Å; A204-V231 HydrophobicContact CB-CB 3.86Å; A204-V231 HydrophobicContact CB-CG1 3.62Å; D206-V231 PolarHBondContact O-N 2.78Å; I209-V231 HydrophobicContact CD1-CG1 4.42Å; I209-V231 HydrophobicContact CG1-CG1 4.24Å; I209-V231 HydrophobicContact CG1-CG2 4.31Å; H227-V231 HydrophobicContact CB-CG2 3.94Å; Q229-V231 PolarHBondContact O-N 2.76Å; V231-L234 HydrophobicContact CG1-CD2 4.02Å
232R97.8Very high96.8Very high66 Ų6643.2 Ų43.225%0.24922%0.224CC..EExtended strand (participates in β ladder)trans-95.5-41.1-174.4-70.8-66.5-178.8-169.8-5.6112.8S189 C247 D249 V275 W276S189-R232 VanDerWaalsContact CB-O 3.29Å; S189-R232 WeakPolarHBondContact CB-O 3.43Å; R232-C247 PolarHBondContact N-O 3.11Å; R232-D249 WeakPolarHBondContact CG-OD1 3.39Å; R232-D249 IonicContact CZ-OD1 3.15Å; R232-D249 IonicContact CZ-OD2 3.79Å; R232-D249 IonicContact NE-OD1 3.86Å; R232-D249 PolarHBondContact NE-OD1 2.72Å; R232-D249 IonicContact NE-OD2 2.76Å; R232-D249 IonicContact NH2-OD1 3.19Å; R232-D249 PolarHBondContact NH2-OD1 2.76Å; R232-D249 IonicContact NH2-OD2 2.96Å; R232-D249 PolarHBondContact NH2-OD2 3.4Å; R232-V275 WeakPolarHBondContact CB-O 3.34Å; R232-W276 VanDerWaalsContact CD-CZ3 3.5Å; R232-W276 HydrophobicContact CG-CE3 4.2Å; R232-W276 HydrophobicContact CG-CZ3 4.44Å
233D98.4Very high96.8Very high12 Ų1242.7 Ų42.76%0.06422%0.219CC..EExtended strand (participates in β ladder)trans-149.5159.4-174.8-154.87.6000111.9S189 S246 C247 W276 S277 V278 R279S189-D233 PolarHBondContact OG-OD1 3.3Å; D233-S246 WeakPolarHBondContact O-CA 3.41Å; D233-C247 PolarHBondContact N-O 2.97Å; D233-C247 PolarHBondContact O-N 3.25Å; D233-C247 VanDerWaalsContact O-N 3.08Å; D233-W276 WeakPolarHBondContact CB-O 3.29Å; D233-S277 VanDerWaalsContact OD2-CA 3.28Å; D233-S277 WeakPolarHBondContact OD2-CA 3.29Å; D233-S277 PolarHBondContact OD2-OG 2.79Å; D233-V278 PolarHBondContact OD2-N 3.13Å; D233-R279 IonicContact OD1-NH1 3.4Å; D233-R279 IonicContact OD2-CZ 3.54Å; D233-R279 IonicContact OD2-NH1 2.67Å; D233-R279 PolarHBondContact OD2-NH1 2.85Å; D233-R279 IonicContact OD2-NH2 2.76Å; D233-R279 PolarHBondContact OD2-NH2 2.95Å
234L98.4Very high96.8Very high0 Ų042.6 Ų42.60%022%0.218CC..EExtended strand (participates in β ladder)trans-134.4152.9-179.9-62.2177.7000108.3K191 A202 A204 I209 V231 L244 A245K191-L234 HydrophobicContact CB-CB 4.44Å; K191-L234 WeakPolarHBondContact CE-O 3.15Å; K191-L234 HydrophobicContact CG-CB 4.08Å; K191-L234 WeakPolarHBondContact CG-O 3.33Å; A202-L234 HydrophobicContact CB-CD1 3.97Å; A204-L234 HydrophobicContact CB-CD1 3.98Å; A204-L234 HydrophobicContact CB-CG 4.21Å; I209-L234 HydrophobicContact CD1-CD2 3.65Å; I209-L234 HydrophobicContact CG1-CD2 3.93Å; I209-L234 HydrophobicContact CG2-CD1 4.14Å; I209-L234 HydrophobicContact CG2-CD2 4.12Å; V231-L234 HydrophobicContact CG1-CD2 4.02Å; L234-L244 HydrophobicContact CB-CD1 4.34Å; L234-L244 HydrophobicContact CD2-CD2 4.32Å; L234-A245 CarbonylContact C-O 3.4Å; L234-A245 VanDerWaalsContact CA-O 3.31Å; L234-A245 WeakPolarHBondContact CA-O 3.49Å
235D98.5Very high97Very high19 Ų1936 Ų3610%0.10219%0.187CC..EExtended strand (participates in β ladder)trans-154.1130.5165.4-159.731.5000112.3L244 A245 V278 R279 Y280D235-L244 WeakPolarHBondContact O-CD1 3.46Å; D235-A245 PolarHBondContact N-O 2.78Å; D235-A245 PolarHBondContact O-N 3.19Å; D235-V278 HydrophobicContact CB-CG1 4.45Å; D235-V278 WeakPolarHBondContact CB-O 3.45Å; D235-R279 WeakPolarHBondContact OD2-CA 3.28Å; D235-Y280 HydrophobicContact CB-CD2 4.36Å; D235-Y280 PolarHBondContact OD2-N 2.93Å
236F98.1Very high97.1Very high6 Ų630.1 Ų30.13%0.02616%0.156CC..EExtended strand (participates in β ladder)trans-78.1139.7176.7-82.8-75.8000109.6K191 S193 A202 P238 L244K191-F236 HydrophobicContact CB-CD2 4.18Å; K191-F236 WeakPolarHBondContact O-CE2 3.17Å; S193-F236 VanDerWaalsContact CA-CD2 3.49Å; A202-F236 HydrophobicContact CB-CE2 3.51Å; A202-F236 HydrophobicContact CB-CZ 3.57Å; F236-P238 VanDerWaalsContact O-CD 3.31Å; F236-P238 WeakPolarHBondContact O-CD 3.01Å; F236-L244 HydrophobicContact CD1-CB 4.24Å; F236-L244 HydrophobicContact CD1-CD1 3.76Å; F236-L244 HydrophobicContact CD2-CD1 3.96Å; F236-L244 HydrophobicContact CE1-CB 4.29Å; F236-L244 HydrophobicContact CE1-CD1 3.89Å; F236-L244 HydrophobicContact CE2-CD1 4.09Å; F236-L244 HydrophobicContact CG-CD1 3.81Å; F236-L244 HydrophobicContact CZ-CD1 4.07Å
237N97.4Very high97.2Very high0 Ų030.1 Ų30.10%016%0.156CC..  trans-65.2121.1166.6-177.6-37.1000107.9H195 N239 R240 Y243 Y280 D285H195-N237 PolarHBondContact NE2-O 2.72Å; N237-N239 VanDerWaalsContact C-N 3.32Å; N237-N239 PolarHBondContact O-N 3.42Å; N237-N239 PolarHBondContact OD1-N 3.26Å; N237-R240 HydrophobicContact CB-CB 4.17Å; N237-R240 VanDerWaalsContact CG-CB 3.48Å; N237-R240 WeakPolarHBondContact ND2-CB 3.44Å; N237-R240 PolarHBondContact OD1-N 3.45Å; N237-Y243 PolarHBondContact N-O 2.72Å; N237-Y280 HydrophobicContact CB-CD1 4.34Å; N237-Y280 HydrophobicContact CB-CD2 4.1Å; N237-Y280 HydrophobicContact CB-CE1 4.08Å; N237-Y280 HydrophobicContact CB-CE2 3.79Å; N237-Y280 HydrophobicContact CB-CG 4.33Å; N237-D285 PolarHBondContact ND2-OD2 2.69Å; N237-D285 VanDerWaalsContact OD1-CB 3.28Å; N237-D285 WeakPolarHBondContact OD1-CB 3.34Å; N237-D285 PolarHBondContact OD1-OD2 3.01Å; N237-D285 VanDerWaalsContact OD1-OD2 3.09Å
238P94.3Very high97.2Very high29 Ų2930 Ų3019%0.18816%0.155CC..SBendtrans-73.1-24.1-175.326.9-31000113.2P194 H195 F236 N281P194-P238 HydrophobicContact CG-CB 4.45Å; H195-P238 PolarHBondContact CE1-O 2.87Å; H195-P238 PolarHBondContact NE2-O 3.48Å; F236-P238 VanDerWaalsContact O-CD 3.31Å; F236-P238 WeakPolarHBondContact O-CD 3.01Å; P238-N281 WeakPolarHBondContact CG-O 3.04Å
239N94.3Very high97.2Very high70 Ų7027.6 Ų27.637%0.37413%0.128SC..SBendtrans-107.1-24.2-174.2-61.2-19.2000112.7N237 H282 S283 D285 S307N237-N239 VanDerWaalsContact C-N 3.32Å; N237-N239 PolarHBondContact O-N 3.42Å; N237-N239 PolarHBondContact OD1-N 3.26Å; N239-H282 PolarHBondContact OD1-O 2.98Å; N239-S283 PolarHBondContact ND2-O 3.41Å; N239-S283 VanDerWaalsContact ND2-O 3.08Å; N239-D285 HydrophobicContact CB-CB 4.08Å; N239-S307 WeakPolarHBondContact CB-OG 3.24Å
240R94.7Very high97.3Very high67 Ų6724.2 Ų24.225%0.25311%0.112SC..SBendtrans-108.6105.6177.1-161.4176.8179.71740.4111.4N237 Y243 I305 S306N237-R240 HydrophobicContact CB-CB 4.17Å; N237-R240 VanDerWaalsContact CG-CB 3.48Å; N237-R240 WeakPolarHBondContact ND2-CB 3.44Å; N237-R240 PolarHBondContact OD1-N 3.45Å; R240-Y243 HydrophobicContact CB-CD2 4.46Å; R240-Y243 HydrophobicContact CB-CG 4.43Å; R240-Y243 HydrophobicContact CG-CD2 3.66Å; R240-Y243 HydrophobicContact CG-CE2 4.2Å; R240-Y243 HydrophobicContact CG-CG 4Å; R240-Y243 VanDerWaalsContact NH2-CZ 3.32Å; R240-Y243 PolarHBondContact NH2-OH 2.98Å; R240-Y243 PolarHBondContact O-N 3.21Å; R240-I305 VanDerWaalsContact CD-O 3.23Å; R240-I305 WeakPolarHBondContact CD-O 3.48Å; R240-I305 VanDerWaalsContact NH1-CA 3.28Å; R240-I305 PolarHBondContact NH1-O 2.83Å; R240-S306 PolarHBondContact NH1-O 3.1Å
241Q93.4Very high97.3Very high78 Ų7823.9 Ų23.936%0.36411%0.113SC..THydrogen-bonded Turntrans-56.2141.7177-166.3-173.2-1.600112.2H195 H196 Y243H195-Q241 HydrophobicContact CB-CG 4.37Å; H196-Q241 PolarHBondContact CE1-NE2 3.36Å; H196-Q241 PolarHBondContact NE2-NE2 3.17Å; Q241-Y243 WeakPolarHBondContact O-CD2 3.49Å; Q241-Y243 PolarHBondContact O-N 2.69Å
242Y94.9Very high97.3Very high65 Ų6526.8 Ų26.826%0.25513%0.126SC..THydrogen-bonded Turntrans701.5-179.7-48.8-66.9000116.2H196 V258 R259H196-Y242 PolarHBondContact CE1-OH 3.29Å; H196-Y242 AromaticContact NE2-CE1 3.43Å; H196-Y242 WeakPolarHBondContact NE2-CE1 3.44Å; H196-Y242 AromaticContact NE2-CZ 3.5Å; H196-Y242 PolarHBondContact NE2-OH 2.7Å; Y242-V258 HydrophobicContact CD1-CG2 3.97Å; Y242-V258 HydrophobicContact CG-CG2 4.4Å; Y242-V258 WeakPolarHBondContact O-CG2 3.46Å; Y242-V258 PolarHBondContact O-N 3.29Å; Y242-R259 HydrophobicContact CD1-CG 4.06Å; Y242-R259 VanDerWaalsContact CD2-CD 3.49Å; Y242-R259 HydrophobicContact CD2-CG 4.14Å; Y242-R259 HydrophobicContact CG-CG 3.83Å
243Y97.1Very high97.4Very high18 Ų1823.8 Ų23.87%0.07112%0.115CC..EExtended strand (participates in β ladder)trans-94.9132.1177.6-82-113.2000110.9N237 R240 Q241 W256 D257 V265N237-Y243 PolarHBondContact N-O 2.72Å; R240-Y243 HydrophobicContact CB-CD2 4.46Å; R240-Y243 HydrophobicContact CB-CG 4.43Å; R240-Y243 HydrophobicContact CG-CD2 3.66Å; R240-Y243 HydrophobicContact CG-CE2 4.2Å; R240-Y243 HydrophobicContact CG-CG 4Å; R240-Y243 VanDerWaalsContact NH2-CZ 3.32Å; R240-Y243 PolarHBondContact NH2-OH 2.98Å; R240-Y243 PolarHBondContact O-N 3.21Å; Q241-Y243 WeakPolarHBondContact O-CD2 3.49Å; Q241-Y243 PolarHBondContact O-N 2.69Å; Y243-W256 WeakPolarHBondContact CA-O 3.02Å; Y243-D257 HydrophobicContact CE2-CB 4.09Å; Y243-D257 WeakPolarHBondContact CE2-OD2 3.32Å; Y243-D257 PolarHBondContact OH-OD2 2.83Å; Y243-V265 HydrophobicContact CE1-CG1 4.29Å; Y243-V265 HydrophobicContact CE1-CG2 4.14Å
244L97.9Very high97.4Very high0 Ų024.7 Ų24.70%012%0.118CC..EExtended strand (participates in β ladder)trans-134.2135.7-178.1-179.875000109.4A202 I209 L234 D235 F236 F255 W256 V258A202-L244 HydrophobicContact CB-CD1 4.25Å; A202-L244 HydrophobicContact CB-CD2 4.16Å; I209-L244 HydrophobicContact CG2-CD2 3.87Å; L234-L244 HydrophobicContact CB-CD1 4.34Å; L234-L244 HydrophobicContact CD2-CD2 4.32Å; D235-L244 WeakPolarHBondContact O-CD1 3.46Å; F236-L244 HydrophobicContact CD1-CB 4.24Å; F236-L244 HydrophobicContact CD1-CD1 3.76Å; F236-L244 HydrophobicContact CD2-CD1 3.96Å; F236-L244 HydrophobicContact CE1-CB 4.29Å; F236-L244 HydrophobicContact CE1-CD1 3.89Å; F236-L244 HydrophobicContact CE2-CD1 4.09Å; F236-L244 HydrophobicContact CG-CD1 3.81Å; F236-L244 HydrophobicContact CZ-CD1 4.07Å; L244-F255 CarbonylContact O-C 3.5Å; L244-F255 WeakPolarHBondContact O-CA 3.32Å; L244-W256 PolarHBondContact N-O 2.82Å; L244-W256 PolarHBondContact O-N 2.89Å; L244-V258 HydrophobicContact CB-CG1 4.17Å
245A98.6Very high97.4Very high0 Ų024.7 Ų24.70%012%0.118CC..EExtended strand (participates in β ladder)trans-98.1148.6166.700000110.4L234 D235 K254 F255 V278 Y280L234-A245 CarbonylContact C-O 3.4Å; L234-A245 VanDerWaalsContact CA-O 3.31Å; L234-A245 WeakPolarHBondContact CA-O 3.49Å; D235-A245 PolarHBondContact N-O 2.78Å; D235-A245 PolarHBondContact O-N 3.19Å; A245-K254 CarbonylContact C-O 3.53Å; A245-K254 WeakPolarHBondContact CA-O 3.44Å; A245-F255 HydrophobicContact CB-CD1 3.69Å; A245-F255 HydrophobicContact CB-CE1 3.66Å; A245-V278 HydrophobicContact CB-CG1 4.13Å; A245-V278 HydrophobicContact CB-CG2 3.72Å; A245-Y280 HydrophobicContact CB-CD2 4.24Å; A245-Y280 HydrophobicContact CB-CE2 3.56Å
246S98.8Very high97.4Very high0 Ų024.1 Ų24.10%011%0.114CC..EExtended strand (participates in β ladder)trans-142151.1173.665.20000111.1I209 H227 D233 V253 K254 W256I209-S246 VanDerWaalsContact CD1-CB 3.4Å; H227-S246 PolarHBondContact NE2-OG 3.05Å; D233-S246 WeakPolarHBondContact O-CA 3.41Å; S246-V253 CarbonylContact O-C 3.54Å; S246-V253 WeakPolarHBondContact O-CA 3.46Å; S246-K254 PolarHBondContact N-O 2.91Å; S246-K254 PolarHBondContact O-N 2.82Å; S246-W256 PolarHBondContact OG-NE1 3.05Å
247C98.8Very high97.3Very high0 Ų024.6 Ų24.60%012%0.117CC..EExtended strand (participates in β ladder)trans-142.7161.9175.7710000111.8R232 D233 K252 V253 V275 V278R232-C247 PolarHBondContact N-O 3.11Å; D233-C247 PolarHBondContact N-O 2.97Å; D233-C247 PolarHBondContact O-N 3.25Å; D233-C247 VanDerWaalsContact O-N 3.08Å; C247-K252 WeakPolarHBondContact CA-O 3.35Å; C247-V253 HydrophobicContact CB-CG2 3.88Å; C247-V275 HydrophobicContact CB-CB 3.81Å; C247-V275 HydrophobicContact CB-CG1 3.57Å; C247-V278 HydrophobicContact CB-CB 4.27Å; C247-V278 HydrophobicContact CB-CG1 4.24Å
248G98.3Very high97.3Very high0 Ų025.2 Ų25.20%012%0.121CC..EExtended strand (participates in β ladder)trans-167.6-169.4-174.800000117L230 D250 C251 K252 V275L230-G248 CarbonylContact O-C 3.51Å; L230-G248 WeakPolarHBondContact O-CA 3.35Å; G248-D250 PolarHBondContact O-N 3.17Å; G248-C251 PolarHBondContact O-N 2.81Å; G248-K252 PolarHBondContact N-O 2.92Å; G248-V275 PolarHBondContact O-N 2.81Å
249D98.6Very high97.3Very high13 Ų1331.5 Ų31.57%0.0714%0.141CC..THydrogen-bonded Turntrans-71.9-11.7-176.8-72.1-2000113.2Q229 L230 R232 C251 W274Q229-D249 HydrophobicContact CB-CB 3.67Å; Q229-D249 PolarHBondContact OE1-O 2.7Å; L230-D249 HydrophobicContact CB-CB 4.42Å; L230-D249 PolarHBondContact O-N 3.22Å; R232-D249 WeakPolarHBondContact CG-OD1 3.39Å; R232-D249 IonicContact CZ-OD1 3.15Å; R232-D249 IonicContact CZ-OD2 3.79Å; R232-D249 IonicContact NE-OD1 3.86Å; R232-D249 PolarHBondContact NE-OD1 2.72Å; R232-D249 IonicContact NE-OD2 2.76Å; R232-D249 IonicContact NH2-OD1 3.19Å; R232-D249 PolarHBondContact NH2-OD1 2.76Å; R232-D249 IonicContact NH2-OD2 2.96Å; R232-D249 PolarHBondContact NH2-OD2 3.4Å; D249-C251 PolarHBondContact O-N 3.38Å; D249-W274 VanDerWaalsContact CA-CD1 3.44Å; D249-W274 HydrophobicContact CB-CD2 4.33Å; D249-W274 HydrophobicContact CB-CG 4.01Å
250D98.4Very high97.3Very high25 Ų2532.4 Ų32.413%0.13415%0.146CC..THydrogen-bonded Turntrans-77.57.5172.768.4-6000113.4H227 G228 Q229 G248 K252H227-D250 WeakPolarHBondContact CA-OD2 3.39Å; H227-D250 VanDerWaalsContact CB-OD2 3.31Å; H227-D250 WeakPolarHBondContact CB-OD2 3.4Å; H227-D250 IonicContact CE1-OD1 2.79Å; H227-D250 IonicContact CG-OD1 3.6Å; H227-D250 IonicContact CG-OD2 2.65Å; H227-D250 VanDerWaalsContact ND1-CG 3.33Å; H227-D250 IonicContact ND1-OD1 2.79Å; H227-D250 PolarHBondContact ND1-OD1 3.25Å; H227-D250 IonicContact ND1-OD2 2.7Å; H227-D250 PolarHBondContact ND1-OD2 2.87Å; H227-D250 VanDerWaalsContact ND1-OD2 3.15Å; G228-D250 PolarHBondContact N-OD2 2.93Å; Q229-D250 HydrophobicContact CB-CB 4.29Å; Q229-D250 HydrophobicContact CG-CB 4.32Å; G248-D250 PolarHBondContact O-N 3.17Å; D250-K252 WeakPolarHBondContact O-CG 3.28Å; D250-K252 PolarHBondContact O-N 3.17Å; D250-K252 WeakPolarHBondContact OD1-CB 3.45Å; D250-K252 PolarHBondContact OD1-N 2.78Å
251C98.6Very high97.4Very high33 Ų3330.9 Ų30.922%0.22314%0.144CC..SBendtrans66.313.6-179.9-470000113.5G248 D249 H273G248-C251 PolarHBondContact O-N 2.81Å; D249-C251 PolarHBondContact O-N 3.38Å; C251-H273 WeakPolarHBondContact SG-CA 3.49Å
252K98.6Very high97.4Very high62 Ų6235 Ų3527%0.2716%0.164SC..  trans-107.7152.6-176.2-51.9-164.2-177-163.30112.1H227 C247 G248 D250 T267 L268 E269H227-K252 PolarHBondContact CE1-O 2.87Å; C247-K252 WeakPolarHBondContact CA-O 3.35Å; G248-K252 PolarHBondContact N-O 2.92Å; D250-K252 WeakPolarHBondContact O-CG 3.28Å; D250-K252 PolarHBondContact O-N 3.17Å; D250-K252 WeakPolarHBondContact OD1-CB 3.45Å; D250-K252 PolarHBondContact OD1-N 2.78Å; K252-T267 HydrophobicContact CB-CG2 4.26Å; K252-T267 HydrophobicContact CD-CG2 3.89Å; K252-L268 WeakPolarHBondContact CA-O 3.44Å; K252-E269 HydrophobicContact CD-CG 4.12Å; K252-E269 WeakPolarHBondContact CE-OE1 3.28Å; K252-E269 HydrophobicContact CG-CG 4.22Å; K252-E269 IonicContact NZ-OE1 2.63Å; K252-E269 PolarHBondContact NZ-OE1 3.19Å
253V98.8Very high97.4Very high3 Ų338.5 Ų38.52%0.01818%0.182CC..EExtended strand (participates in β ladder)trans-116.1129.1163.8-175.40000107.9S246 C247 F255 T267 L268 V275 V278 T290S246-V253 CarbonylContact O-C 3.54Å; S246-V253 WeakPolarHBondContact O-CA 3.46Å; C247-V253 HydrophobicContact CB-CG2 3.88Å; V253-F255 HydrophobicContact CG1-CE2 4.27Å; V253-F255 HydrophobicContact CG1-CZ 4.22Å; V253-T267 CarbonylContact O-C 3.52Å; V253-T267 WeakPolarHBondContact O-CA 3.43Å; V253-L268 HydrophobicContact CB-CB 4.24Å; V253-L268 PolarHBondContact N-O 3.03Å; V253-L268 PolarHBondContact O-N 2.99Å; V253-V275 HydrophobicContact CG2-CB 4.47Å; V253-V275 HydrophobicContact CG2-CG1 3.89Å; V253-V275 HydrophobicContact CG2-CG2 4.27Å; V253-V278 HydrophobicContact CG1-CB 4.42Å; V253-V278 HydrophobicContact CG1-CG2 3.84Å; V253-T290 HydrophobicContact CB-CG2 4.47Å; V253-T290 HydrophobicContact CG1-CG2 4.23Å; V253-T290 HydrophobicContact CG2-CG2 3.79Å
254K98.7Very high97.4Very high30 Ų3039.4 Ų39.413%0.1319%0.19CC..EExtended strand (participates in β ladder)trans-124.5143.3-176-67-174.8177.4-165.10110.5A226 A245 S246 W256 P264 K266 T267A226-K254 WeakPolarHBondContact O-CD 3.26Å; A226-K254 WeakPolarHBondContact O-CE 3.5Å; A226-K254 PolarHBondContact O-NZ 3.25Å; A245-K254 CarbonylContact C-O 3.53Å; A245-K254 WeakPolarHBondContact CA-O 3.44Å; S246-K254 PolarHBondContact N-O 2.91Å; S246-K254 PolarHBondContact O-N 2.82Å; K254-W256 HydrophobicContact CB-CZ2 4.01Å; K254-W256 HydrophobicContact CD-CH2 4.37Å; K254-W256 HydrophobicContact CD-CZ2 3.63Å; K254-W256 HydrophobicContact CG-CZ2 4.5Å; K254-P264 HydrophobicContact CB-CB 4.19Å; K254-P264 HydrophobicContact CD-CB 4.41Å; K254-P264 HydrophobicContact CD-CG 4.36Å; K254-P264 HydrophobicContact CG-CB 4.47Å; K254-K266 WeakPolarHBondContact CA-O 3.26Å; K254-T267 HydrophobicContact CG-CG2 4.06Å
255F98.5Very high97.4Very high0 Ų042.6 Ų42.60%021%0.209CC..EExtended strand (participates in β ladder)trans-116.4135.5178.2-61-83.3000109.6L244 A245 V253 P264 V265 K266 L268 Y280 V288 M302 I305L244-F255 CarbonylContact O-C 3.5Å; L244-F255 WeakPolarHBondContact O-CA 3.32Å; A245-F255 HydrophobicContact CB-CD1 3.69Å; A245-F255 HydrophobicContact CB-CE1 3.66Å; V253-F255 HydrophobicContact CG1-CE2 4.27Å; V253-F255 HydrophobicContact CG1-CZ 4.22Å; F255-P264 CarbonylContact O-C 3.5Å; F255-P264 VanDerWaalsContact O-CA 3.27Å; F255-P264 WeakPolarHBondContact O-CA 3.43Å; F255-P264 WeakPolarHBondContact O-CB 3.49Å; F255-V265 PolarHBondContact O-N 2.85Å; F255-K266 HydrophobicContact CB-CB 4.19Å; F255-K266 HydrophobicContact CD2-CB 3.84Å; F255-K266 HydrophobicContact CD2-CG 4.22Å; F255-K266 HydrophobicContact CG-CB 4.42Å; F255-K266 PolarHBondContact N-O 2.66Å; F255-L268 HydrophobicContact CE2-CD1 3.74Å; F255-L268 HydrophobicContact CE2-CG 3.9Å; F255-L268 HydrophobicContact CZ-CD1 4.2Å; F255-Y280 HydrophobicContact CD1-CE2 4.49Å; F255-Y280 AromaticContact CD1-CZ 3.88Å; F255-Y280 WeakPolarHBondContact CD1-OH 3.46Å; F255-Y280 HydrophobicContact CE1-CE1 4.26Å; F255-Y280 HydrophobicContact CE1-CE2 4.37Å; F255-Y280 AromaticContact CE1-CZ 3.77Å; F255-Y280 WeakPolarHBondContact CE1-OH 3.45Å; F255-V288 HydrophobicContact CE1-CG1 4.42Å; F255-V288 HydrophobicContact CE1-CG2 4.27Å; F255-V288 HydrophobicContact CZ-CG1 4.2Å; F255-V288 HydrophobicContact CZ-CG2 4.29Å; F255-M302 HydrophobicContact CZ-CG 4.32Å; F255-I305 HydrophobicContact CB-CD1 4.13Å; F255-I305 HydrophobicContact CD1-CD1 3.26Å; F255-I305 HydrophobicContact CD2-CD1 3.78Å; F255-I305 HydrophobicContact CE1-CD1 3.35Å; F255-I305 HydrophobicContact CE2-CD1 3.86Å; F255-I305 HydrophobicContact CG-CD1 3.44Å; F255-I305 VanDerWaalsContact CG-CD1 3.44Å; F255-I305 HydrophobicContact CZ-CD1 3.64Å
256W98.4Very high97.3Very high7 Ų745.9 Ų45.93%0.02722%0.224CC..EExtended strand (participates in β ladder)trans-129.4139.1-169.7-56.292.8000110.5I223 A226 Y243 L244 S246 K254 P264I223-W256 HydrophobicContact CD1-CB 4.02Å; I223-W256 HydrophobicContact CD1-CD2 3.81Å; I223-W256 HydrophobicContact CD1-CE3 4.06Å; I223-W256 HydrophobicContact CD1-CG 3.8Å; I223-W256 HydrophobicContact CG2-CD2 4.13Å; I223-W256 HydrophobicContact CG2-CE3 3.74Å; I223-W256 HydrophobicContact CG2-CH2 3.54Å; I223-W256 HydrophobicContact CG2-CZ2 3.95Å; I223-W256 HydrophobicContact CG2-CZ3 3.42Å; I223-W256 VanDerWaalsContact CG2-CZ3 3.42Å; A226-W256 HydrophobicContact CB-CH2 4.32Å; A226-W256 HydrophobicContact CB-CZ2 3.81Å; A226-W256 WeakPolarHBondContact O-CZ2 3.38Å; Y243-W256 WeakPolarHBondContact CA-O 3.02Å; L244-W256 PolarHBondContact N-O 2.82Å; L244-W256 PolarHBondContact O-N 2.89Å; S246-W256 PolarHBondContact OG-NE1 3.05Å; K254-W256 HydrophobicContact CB-CZ2 4.01Å; K254-W256 HydrophobicContact CD-CH2 4.37Å; K254-W256 HydrophobicContact CD-CZ2 3.63Å; K254-W256 HydrophobicContact CG-CZ2 4.5Å; W256-P264 HydrophobicContact CD2-CB 4.21Å; W256-P264 HydrophobicContact CE3-CB 4.1Å; W256-P264 HydrophobicContact CH2-CB 4.07Å; W256-P264 HydrophobicContact CH2-CG 4.29Å; W256-P264 HydrophobicContact CZ2-CB 4.16Å; W256-P264 HydrophobicContact CZ3-CB 4.04Å; W256-P264 HydrophobicContact CZ3-CG 4.45Å
257D96.8Very high97.2Very high17 Ų1748.2 Ų48.29%0.09124%0.238CC..EExtended strand (participates in β ladder)trans-94.2110.8158.8-174.4-30000107Y243 R259 N260 V265Y243-D257 HydrophobicContact CE2-CB 4.09Å; Y243-D257 WeakPolarHBondContact CE2-OD2 3.32Å; Y243-D257 PolarHBondContact OH-OD2 2.83Å; D257-R259 PolarHBondContact O-N 2.74Å; D257-R259 VanDerWaalsContact OD1-CB 3.26Å; D257-R259 WeakPolarHBondContact OD1-CB 3.47Å; D257-R259 WeakPolarHBondContact OD1-CG 3.2Å; D257-R259 IonicContact OD1-CZ 3.52Å; D257-R259 PolarHBondContact OD1-N 3.03Å; D257-R259 IonicContact OD1-NE 3.26Å; D257-R259 PolarHBondContact OD1-NE 2.95Å; D257-R259 IonicContact OD1-NH2 3.15Å; D257-R259 IonicContact OD2-CZ 3.53Å; D257-R259 IonicContact OD2-NE 3.56Å; D257-R259 PolarHBondContact OD2-NE 3.05Å; D257-R259 IonicContact OD2-NH2 2.75Å; D257-R259 PolarHBondContact OD2-NH2 2.81Å; D257-N260 CarbonylContact O-C 3.49Å; D257-N260 PolarHBondContact O-N 2.94Å; D257-N260 VanDerWaalsContact O-O 3.09Å; D257-V265 HydrophobicContact CB-CG2 3.95Å
258V96.3Very high97.2Very high13 Ų1349.1 Ų49.18%0.07924%0.243CC..THydrogen-bonded Turntrans-67.7-6.3-173.6-55.60000113.5Y221 Y242 L244 V261Y221-V258 HydrophobicContact CD1-CB 3.91Å; Y221-V258 HydrophobicContact CD1-CG2 4.2Å; Y221-V258 HydrophobicContact CD2-CB 4.39Å; Y221-V258 HydrophobicContact CE1-CB 3.72Å; Y221-V258 HydrophobicContact CE1-CG1 3.96Å; Y221-V258 HydrophobicContact CE1-CG2 3.88Å; Y221-V258 HydrophobicContact CE2-CB 4.23Å; Y221-V258 HydrophobicContact CE2-CG1 3.94Å; Y221-V258 HydrophobicContact CG-CB 4.25Å; Y242-V258 HydrophobicContact CD1-CG2 3.97Å; Y242-V258 HydrophobicContact CG-CG2 4.4Å; Y242-V258 WeakPolarHBondContact O-CG2 3.46Å; Y242-V258 PolarHBondContact O-N 3.29Å; L244-V258 HydrophobicContact CB-CG1 4.17Å; V258-V261 WeakPolarHBondContact O-CG1 3.08Å
259R95.2Very high97.2Very high160 Ų16054.9 Ų54.960%0.60427%0.27SS*.THydrogen-bonded Turntrans-82.7-22.3170.7-55.7171.2-66177.16.3112.3Y242 D257Y242-R259 HydrophobicContact CD1-CG 4.06Å; Y242-R259 VanDerWaalsContact CD2-CD 3.49Å; Y242-R259 HydrophobicContact CD2-CG 4.14Å; Y242-R259 HydrophobicContact CG-CG 3.83Å; D257-R259 PolarHBondContact O-N 2.74Å; D257-R259 VanDerWaalsContact OD1-CB 3.26Å; D257-R259 WeakPolarHBondContact OD1-CB 3.47Å; D257-R259 WeakPolarHBondContact OD1-CG 3.2Å; D257-R259 IonicContact OD1-CZ 3.52Å; D257-R259 PolarHBondContact OD1-N 3.03Å; D257-R259 IonicContact OD1-NE 3.26Å; D257-R259 PolarHBondContact OD1-NE 2.95Å; D257-R259 IonicContact OD1-NH2 3.15Å; D257-R259 IonicContact OD2-CZ 3.53Å; D257-R259 IonicContact OD2-NE 3.56Å; D257-R259 PolarHBondContact OD2-NE 3.05Å; D257-R259 IonicContact OD2-NH2 2.75Å; D257-R259 PolarHBondContact OD2-NH2 2.81Å
260N94.9Very high97.1Very high90 Ų9059.5 Ų59.548%0.48129%0.291SS..BIsolated β-bridgetrans-134.384.8175.7-175.814000110.6D257 Q262D257-N260 CarbonylContact O-C 3.49Å; D257-N260 PolarHBondContact O-N 2.94Å; D257-N260 VanDerWaalsContact O-O 3.09Å; N260-Q262 VanDerWaalsContact C-N 3.3Å; N260-Q262 PolarHBondContact O-N 2.8Å
261V95.6Very high97.1Very high35 Ų3558.9 Ų58.921%0.21229%0.287CS..THydrogen-bonded Turntrans-844.1-172.2-63.40000115I223 V258I223-V261 HydrophobicContact CD1-CG1 4.26Å; I223-V261 HydrophobicContact CG1-CB 3.94Å; I223-V261 HydrophobicContact CG1-CG1 3.76Å; V258-V261 WeakPolarHBondContact O-CG1 3.08Å
262Q93.6Very high97.1Very high165 Ų16561.5 Ų61.577%0.77131%0.306SS*.THydrogen-bonded Turntrans-69.3-35.6-173.3-64.6-60.1-37.400112.7N260N260-Q262 VanDerWaalsContact C-N 3.3Å; N260-Q262 PolarHBondContact O-N 2.8Å
263E95.3Very high97.1Very high137 Ų13762.4 Ų62.464%0.6431%0.311SS*.SBendtrans-145.2150.2179.763.7-173.417300110.6
264P97.6Very high97.1Very high37 Ų3766.6 Ų66.624%0.2433%0.327CS..  trans-68139.8174.229.5-34.2000109.8K254 F255 W256 K266 T267K254-P264 HydrophobicContact CB-CB 4.19Å; K254-P264 HydrophobicContact CD-CB 4.41Å; K254-P264 HydrophobicContact CD-CG 4.36Å; K254-P264 HydrophobicContact CG-CB 4.47Å; F255-P264 CarbonylContact O-C 3.5Å; F255-P264 VanDerWaalsContact O-CA 3.27Å; F255-P264 WeakPolarHBondContact O-CA 3.43Å; F255-P264 WeakPolarHBondContact O-CB 3.49Å; W256-P264 HydrophobicContact CD2-CB 4.21Å; W256-P264 HydrophobicContact CE3-CB 4.1Å; W256-P264 HydrophobicContact CH2-CB 4.07Å; W256-P264 HydrophobicContact CH2-CG 4.29Å; W256-P264 HydrophobicContact CZ2-CB 4.16Å; W256-P264 HydrophobicContact CZ3-CB 4.04Å; W256-P264 HydrophobicContact CZ3-CG 4.45Å; P264-K266 PolarHBondContact O-N 3.36Å; P264-T267 WeakPolarHBondContact CG-OG1 3.44Å
265V96.8Very high97.1Very high67 Ų6765.2 Ų65.241%0.40632%0.32SS..SBendtrans-60.7-36.5172.5-1790000110.4Y243 F255 D257 I305Y243-V265 HydrophobicContact CE1-CG1 4.29Å; Y243-V265 HydrophobicContact CE1-CG2 4.14Å; F255-V265 PolarHBondContact O-N 2.85Å; D257-V265 HydrophobicContact CB-CG2 3.95Å; V265-I305 HydrophobicContact CG1-CG2 3.92Å
266K96.7Very high97.1Very high69 Ų6966.8 Ų66.830%0.333%0.326SS..EExtended strand (participates in β ladder)trans-152147.3179.8-168.981-178.4-153.50110.1K254 F255 P264 L268 I305 D337K254-K266 WeakPolarHBondContact CA-O 3.26Å; F255-K266 HydrophobicContact CB-CB 4.19Å; F255-K266 HydrophobicContact CD2-CB 3.84Å; F255-K266 HydrophobicContact CD2-CG 4.22Å; F255-K266 HydrophobicContact CG-CB 4.42Å; F255-K266 PolarHBondContact N-O 2.66Å; P264-K266 PolarHBondContact O-N 3.36Å; K266-L268 HydrophobicContact CG-CD2 4.42Å; K266-I305 HydrophobicContact CB-CG2 4.26Å; K266-D337 WeakPolarHBondContact CE-OD2 3.29Å; K266-D337 IonicContact NZ-OD2 3.15Å; K266-D337 PolarHBondContact NZ-OD2 2.73Å
267T97.9Very high97.1Very high49 Ų4966.5 Ų66.530%0.30133%0.326SS..EExtended strand (participates in β ladder)trans-129.3135.6171.6-60.30000109.1K252 V253 K254 P264 E269K252-T267 HydrophobicContact CB-CG2 4.26Å; K252-T267 HydrophobicContact CD-CG2 3.89Å; V253-T267 CarbonylContact O-C 3.52Å; V253-T267 WeakPolarHBondContact O-CA 3.43Å; K254-T267 HydrophobicContact CG-CG2 4.06Å; P264-T267 WeakPolarHBondContact CG-OG1 3.44Å; T267-E269 HydrophobicContact CG2-CG 4.1Å
268L98.3Very high97.2Very high19 Ų1965.7 Ų65.710%0.09932%0.321CS..EExtended strand (participates in β ladder)trans-111.6140.3171.9-51.2178.8000109.2K252 V253 F255 K266 M302K252-L268 WeakPolarHBondContact CA-O 3.44Å; V253-L268 HydrophobicContact CB-CB 4.24Å; V253-L268 PolarHBondContact N-O 3.03Å; V253-L268 PolarHBondContact O-N 2.99Å; F255-L268 HydrophobicContact CE2-CD1 3.74Å; F255-L268 HydrophobicContact CE2-CG 3.9Å; F255-L268 HydrophobicContact CZ-CD1 4.2Å; K266-L268 HydrophobicContact CG-CD2 4.42Å; L268-M302 HydrophobicContact CD1-SD 4Å; L268-M302 HydrophobicContact CD2-SD 3.95Å
269E97.8Very high97.3Very high122 Ų12266 Ų6657%0.5732%0.321SS*.  trans-132.135.2-177.4-56.5-171.2174.200110.7K252 T267K252-E269 HydrophobicContact CD-CG 4.12Å; K252-E269 WeakPolarHBondContact CE-OE1 3.28Å; K252-E269 HydrophobicContact CG-CG 4.22Å; K252-E269 IonicContact NZ-OE1 2.63Å; K252-E269 PolarHBondContact NZ-OE1 3.19Å; T267-E269 HydrophobicContact CG2-CG 4.1Å
270E97.5Very high97.5Very high109 Ų10958.4 Ų58.451%0.50929%0.292SS..  trans-79-24.3-175.2-56.4-57138.700113I298 V339E270-I298 HydrophobicContact CB-CD1 3.74Å; E270-V339 HydrophobicContact CG-CG2 3.92Å
271H98.4Very high97.6Very high12 Ų1254.1 Ų54.16%0.05627%0.27CS..  trans-85.9144.6179.4-76.6-63.9000112V275 T290 S292 D294H271-V275 HydrophobicContact CB-CG2 3.76Å; H271-T290 WeakPolarHBondContact NE2-CB 3.46Å; H271-T290 PolarHBondContact NE2-O 2.95Å; H271-T290 PolarHBondContact NE2-OG1 3.28Å; H271-S292 WeakPolarHBondContact CE1-CB 3.3Å; H271-S292 WeakPolarHBondContact ND1-CB 3.24Å; H271-D294 VanDerWaalsContact CA-OD2 3.31Å; H271-D294 WeakPolarHBondContact CA-OD2 3.46Å; H271-D294 IonicContact CE1-OD1 3.26Å; H271-D294 IonicContact CG-OD2 3.32Å; H271-D294 IonicContact ND1-OD1 2.87Å; H271-D294 PolarHBondContact ND1-OD1 3.21Å; H271-D294 IonicContact ND1-OD2 2.63Å; H271-D294 PolarHBondContact ND1-OD2 2.83Å
272S98.3Very high97.5Very high89 Ų8957.1 Ų57.162%0.62228%0.281SS*.SBendtrans-98-6.4-178.964.90000113.8D294S272-D294 PolarHBondContact N-OD2 2.89Å; S272-D294 WeakPolarHBondContact OG-CB 3.41Å; S272-D294 PolarHBondContact OG-OD2 2.83Å
273H98.5Very high97.4Very high81 Ų8152.1 Ų52.138%0.37526%0.264SS..SBendtrans-143.1178177.1-151.8-81.9000110.7C251 V275 S292 S293 D294C251-H273 WeakPolarHBondContact SG-CA 3.49Å; H273-V275 PolarHBondContact O-N 2.84Å; H273-S292 PolarHBondContact O-OG 3.47Å; H273-S292 VanDerWaalsContact O-OG 3.06Å; H273-S293 WeakPolarHBondContact ND1-CB 3.37Å; H273-D294 HydrophobicContact CB-CB 4.11Å
274W98.6Very high97.4Very high91 Ų9146.8 Ų46.835%0.34524%0.239SC..  trans-42.2126.5177.3-59.1-11000112.9D249 W276 S292 S293D249-W274 VanDerWaalsContact CA-CD1 3.44Å; D249-W274 HydrophobicContact CB-CD2 4.33Å; D249-W274 HydrophobicContact CB-CG 4.01Å; W274-W276 HydrophobicContact CE3-CH2 4.02Å; W274-W276 AromaticContact CE3-CZ2 3.47Å; W274-W276 HydrophobicContact CE3-CZ2 3.47Å; W274-W276 VanDerWaalsContact CE3-CZ2 3.47Å; W274-W276 HydrophobicContact CZ3-CH2 4.28Å; W274-W276 HydrophobicContact CZ3-CZ2 4.01Å; W274-S292 VanDerWaalsContact O-CA 3.32Å; W274-S292 WeakPolarHBondContact O-CA 3.13Å; W274-S292 WeakPolarHBondContact O-CB 3.48Å; W274-S292 PolarHBondContact O-OG 2.78Å; W274-S293 PolarHBondContact O-N 2.76Å
275V98.8Very high97.3Very high0 Ų045.1 Ų45.10%023%0.228CC..EExtended strand (participates in β ladder)trans-92.9120.3175.9-170.10000108.2R232 C247 G248 V253 H271 H273 A291R232-V275 WeakPolarHBondContact CB-O 3.34Å; C247-V275 HydrophobicContact CB-CB 3.81Å; C247-V275 HydrophobicContact CB-CG1 3.57Å; G248-V275 PolarHBondContact O-N 2.81Å; V253-V275 HydrophobicContact CG2-CB 4.47Å; V253-V275 HydrophobicContact CG2-CG1 3.89Å; V253-V275 HydrophobicContact CG2-CG2 4.27Å; H271-V275 HydrophobicContact CB-CG2 3.76Å; H273-V275 PolarHBondContact O-N 2.84Å; V275-A291 CarbonylContact C-O 3.17Å; V275-A291 WeakPolarHBondContact CG1-O 3.39Å
276W98.6Very high97.2Very high33 Ų3342 Ų4213%0.12521%0.209CC..EExtended strand (participates in β ladder)trans-93.7-29.2-174-70.4105.6000113.8R232 D233 W274 A291 S293 Y351R232-W276 VanDerWaalsContact CD-CZ3 3.5Å; R232-W276 HydrophobicContact CG-CE3 4.2Å; R232-W276 HydrophobicContact CG-CZ3 4.44Å; D233-W276 WeakPolarHBondContact CB-O 3.29Å; W274-W276 HydrophobicContact CE3-CH2 4.02Å; W274-W276 AromaticContact CE3-CZ2 3.47Å; W274-W276 HydrophobicContact CE3-CZ2 3.47Å; W274-W276 VanDerWaalsContact CE3-CZ2 3.47Å; W274-W276 HydrophobicContact CZ3-CH2 4.28Å; W274-W276 HydrophobicContact CZ3-CZ2 4.01Å; W276-A291 PolarHBondContact N-O 2.85Å; W276-S293 PolarHBondContact NE1-OG 2.92Å; W276-Y351 HydrophobicContact CB-CD1 4.27Å; W276-Y351 AromaticContact CD1-CD1 3.76Å; W276-Y351 AromaticContact CD1-CE1 3.87Å; W276-Y351 AromaticContact CD2-CD1 3.55Å; W276-Y351 HydrophobicContact CD2-CD1 3.55Å; W276-Y351 AromaticContact CD2-CE1 3.62Å; W276-Y351 HydrophobicContact CD2-CE1 3.62Å; W276-Y351 AromaticContact CE2-CD1 3.74Å; W276-Y351 AromaticContact CE2-CE1 3.28Å; W276-Y351 HydrophobicContact CE3-CD1 4.03Å; W276-Y351 HydrophobicContact CE3-CE1 4.15Å; W276-Y351 AromaticContact CG-CD1 3.61Å; W276-Y351 HydrophobicContact CG-CD1 3.61Å; W276-Y351 HydrophobicContact CG-CE1 4Å; W276-Y351 HydrophobicContact CH2-CE1 4.09Å; W276-Y351 HydrophobicContact CZ2-CD1 4.31Å; W276-Y351 AromaticContact CZ2-CE1 3.51Å; W276-Y351 HydrophobicContact CZ2-CE1 3.51Å; W276-Y351 HydrophobicContact CZ3-CE1 4.37Å; W276-Y351 AromaticContact NE1-CD1 3.84Å; W276-Y351 AromaticContact NE1-CE1 3.45Å
277S98.5Very high97.2Very high2 Ų238.7 Ų38.71%0.01420%0.195CC..EExtended strand (participates in β ladder)trans-144.9146.8-178-165.30000112.6D233 R279 T290 A291D233-S277 VanDerWaalsContact OD2-CA 3.28Å; D233-S277 WeakPolarHBondContact OD2-CA 3.29Å; D233-S277 PolarHBondContact OD2-OG 2.79Å; S277-R279 PolarHBondContact OG-NH1 2.79Å; S277-T290 WeakPolarHBondContact O-CA 3.42Å; S277-A291 PolarHBondContact N-O 3.15Å; S277-A291 PolarHBondContact O-N 3.36Å
278V98.8Very high97.2Very high0 Ų036.3 Ų36.30%018%0.181CC..EExtended strand (participates in β ladder)trans-134.9133.1170.560.20000108.9D233 D235 A245 C247 V253 V288 L289 T290D233-V278 PolarHBondContact OD2-N 3.13Å; D235-V278 HydrophobicContact CB-CG1 4.45Å; D235-V278 WeakPolarHBondContact CB-O 3.45Å; A245-V278 HydrophobicContact CB-CG1 4.13Å; A245-V278 HydrophobicContact CB-CG2 3.72Å; C247-V278 HydrophobicContact CB-CB 4.27Å; C247-V278 HydrophobicContact CB-CG1 4.24Å; V253-V278 HydrophobicContact CG1-CB 4.42Å; V253-V278 HydrophobicContact CG1-CG2 3.84Å; V278-V288 HydrophobicContact CG2-CG1 3.84Å; V278-L289 CarbonylContact C-O 3.58Å; V278-L289 VanDerWaalsContact CA-O 3.3Å; V278-L289 WeakPolarHBondContact CA-O 3.37Å; V278-T290 HydrophobicContact CG2-CG2 4.18Å
279R98.6Very high97.2Very high19 Ų1935.4 Ų35.47%0.07218%0.176CC..EExtended strand (participates in β ladder)trans-138.7122.9179.3-68.5-66.6178.5-87.1-12112.9D233 D235 S277 V288 L289 A353 E354 W355D233-R279 IonicContact OD1-NH1 3.4Å; D233-R279 IonicContact OD2-CZ 3.54Å; D233-R279 IonicContact OD2-NH1 2.67Å; D233-R279 PolarHBondContact OD2-NH1 2.85Å; D233-R279 IonicContact OD2-NH2 2.76Å; D233-R279 PolarHBondContact OD2-NH2 2.95Å; D235-R279 WeakPolarHBondContact OD2-CA 3.28Å; S277-R279 PolarHBondContact OG-NH1 2.79Å; R279-V288 WeakPolarHBondContact O-CA 3.34Å; R279-L289 HydrophobicContact CB-CB 4.38Å; R279-L289 PolarHBondContact N-O 2.87Å; R279-L289 PolarHBondContact O-N 3.19Å; R279-A353 VanDerWaalsContact CG-O 3.24Å; R279-A353 WeakPolarHBondContact CG-O 3.5Å; R279-E354 IonicContact CZ-OE1 3.22Å; R279-E354 VanDerWaalsContact CZ-OE1 3.26Å; R279-E354 VanDerWaalsContact NE-CD 3.32Å; R279-E354 IonicContact NE-OE1 2.7Å; R279-E354 PolarHBondContact NE-OE1 2.93Å; R279-E354 IonicContact NE-OE2 3.52Å; R279-E354 PolarHBondContact NE-OE2 2.8Å; R279-E354 IonicContact NH2-OE1 3.39Å; R279-E354 PolarHBondContact NH2-OE1 2.8Å; R279-W355 PolarHBondContact O-NE1 3.33Å
280Y98.2Very high97.3Very high0 Ų029.8 Ų29.80%015%0.15CC..EExtended strand (participates in β ladder)trans-70.6143.4162.1-79.9-76.5000110.3D235 N237 A245 F255 D285 V288 I305 W355D235-Y280 HydrophobicContact CB-CD2 4.36Å; D235-Y280 PolarHBondContact OD2-N 2.93Å; N237-Y280 HydrophobicContact CB-CD1 4.34Å; N237-Y280 HydrophobicContact CB-CD2 4.1Å; N237-Y280 HydrophobicContact CB-CE1 4.08Å; N237-Y280 HydrophobicContact CB-CE2 3.79Å; N237-Y280 HydrophobicContact CB-CG 4.33Å; A245-Y280 HydrophobicContact CB-CD2 4.24Å; A245-Y280 HydrophobicContact CB-CE2 3.56Å; F255-Y280 HydrophobicContact CD1-CE2 4.49Å; F255-Y280 AromaticContact CD1-CZ 3.88Å; F255-Y280 WeakPolarHBondContact CD1-OH 3.46Å; F255-Y280 HydrophobicContact CE1-CE1 4.26Å; F255-Y280 HydrophobicContact CE1-CE2 4.37Å; F255-Y280 AromaticContact CE1-CZ 3.77Å; F255-Y280 WeakPolarHBondContact CE1-OH 3.45Å; Y280-D285 HydrophobicContact CD1-CB 4.43Å; Y280-D285 VanDerWaalsContact CD1-O 3.22Å; Y280-D285 WeakPolarHBondContact CD1-O 3.27Å; Y280-D285 WeakPolarHBondContact CE1-O 3.4Å; Y280-V288 HydrophobicContact CD1-CG2 3.75Å; Y280-V288 HydrophobicContact CE1-CG2 3.79Å; Y280-I305 HydrophobicContact CE1-CD1 4.47Å; Y280-W355 PolarHBondContact O-NE1 2.91Å
281N97.6Very high97.3Very high1 Ų124.6 Ų24.61%0.00513%0.126CC..  trans-70.8136.6165.5-172.8-75.6000110.2P238 S283 H284 L287 W355 P360P238-N281 WeakPolarHBondContact CG-O 3.04Å; N281-S283 VanDerWaalsContact C-N 3.34Å; N281-S283 PolarHBondContact O-N 3.27Å; N281-S283 PolarHBondContact OD1-N 3.24Å; N281-H284 WeakPolarHBondContact CB-O 3.42Å; N281-H284 PolarHBondContact OD1-N 2.89Å; N281-L287 HydrophobicContact CB-CB 3.77Å; N281-L287 WeakPolarHBondContact CB-O 3.3Å; N281-L287 PolarHBondContact N-O 3.38Å; N281-W355 HydrophobicContact CB-CD2 4.1Å; N281-W355 HydrophobicContact CB-CH2 4.28Å; N281-W355 HydrophobicContact CB-CZ2 3.75Å; N281-W355 VanDerWaalsContact ND2-CD2 3.31Å; N281-W355 WeakPolarHBondContact ND2-CH2 3.33Å; N281-W355 WeakPolarHBondContact ND2-CZ3 3.47Å; N281-P360 PolarHBondContact ND2-O 2.85Å
282H92.5Very high97.4Very high97 Ų9724 Ų2445%0.44912%0.123SC..SBendtrans-68.1-30.8-176.1-62.493.5000113.7N239N239-H282 PolarHBondContact OD1-O 2.98Å
283S93.2Very high97.4Very high60 Ų6020.8 Ų20.842%0.4210%0.1SC..SBendtrans-101.2-39.1-177.8-560000112.3N239 N281N239-S283 PolarHBondContact ND2-O 3.41Å; N239-S283 VanDerWaalsContact ND2-O 3.08Å; N281-S283 VanDerWaalsContact C-N 3.34Å; N281-S283 PolarHBondContact O-N 3.27Å; N281-S283 PolarHBondContact OD1-N 3.24Å
284H94.7Very high97.4Very high26 Ų2618 Ų1812%0.129%0.088CC..  trans-121.677.9-175.2-59.7-65.2000110.1N281 Q286 L287 W361 I385N281-H284 WeakPolarHBondContact CB-O 3.42Å; N281-H284 PolarHBondContact OD1-N 2.89Å; H284-Q286 PolarHBondContact O-N 3.46Å; H284-L287 HydrophobicContact CB-CD1 4.16Å; H284-L287 HydrophobicContact CB-CG 4.31Å; H284-L287 WeakPolarHBondContact O-CB 3.28Å; H284-L287 PolarHBondContact O-N 2.9Å; H284-W361 AromaticContact CD2-CH2 3.41Å; H284-W361 VanDerWaalsContact CD2-CH2 3.41Å; H284-W361 WeakPolarHBondContact CD2-CH2 3.29Å; H284-W361 AromaticContact CD2-CZ2 3.46Å; H284-W361 VanDerWaalsContact CD2-CZ2 3.46Å; H284-W361 WeakPolarHBondContact CD2-CZ2 3.31Å; H284-W361 AromaticContact CE1-CZ2 3.94Å; H284-W361 AromaticContact NE2-CE2 3.89Å; H284-W361 AromaticContact NE2-CH2 3.48Å; H284-W361 WeakPolarHBondContact NE2-CH2 3.37Å; H284-W361 AromaticContact NE2-CZ2 3.11Å; H284-W361 WeakPolarHBondContact NE2-CZ2 3.46Å; H284-I385 HydrophobicContact CB-CG2 4.49Å
285D94.4Very high97.4Very high1 Ų115.2 Ų15.21%0.0058%0.082CC..THydrogen-bonded Turntrans-60.2-6.4-172.373.2-21.1000116.3N237 N239 Y280 L287 S306 S307N237-D285 PolarHBondContact ND2-OD2 2.69Å; N237-D285 VanDerWaalsContact OD1-CB 3.28Å; N237-D285 WeakPolarHBondContact OD1-CB 3.34Å; N237-D285 PolarHBondContact OD1-OD2 3.01Å; N237-D285 VanDerWaalsContact OD1-OD2 3.09Å; N239-D285 HydrophobicContact CB-CB 4.08Å; Y280-D285 HydrophobicContact CD1-CB 4.43Å; Y280-D285 VanDerWaalsContact CD1-O 3.22Å; Y280-D285 WeakPolarHBondContact CD1-O 3.27Å; Y280-D285 WeakPolarHBondContact CE1-O 3.4Å; D285-L287 VanDerWaalsContact C-N 3.31Å; D285-S306 WeakPolarHBondContact OD1-CB 3.46Å; D285-S306 PolarHBondContact OD1-OG 3.01Å; D285-S307 VanDerWaalsContact CG-OG 3.25Å; D285-S307 PolarHBondContact OD1-N 3.22Å; D285-S307 PolarHBondContact OD1-OG 3.02Å; D285-S307 WeakPolarHBondContact OD2-CB 3.45Å; D285-S307 PolarHBondContact OD2-N 3.4Å; D285-S307 PolarHBondContact OD2-OG 3.11Å
286Q94.6Very high97.3Very high1 Ų119.5 Ų19.51%0.00510%0.099CC..THydrogen-bonded Turntrans-70.6-25.3164.765.9-166.4-28.100113H284 N301 M302 I385H284-Q286 PolarHBondContact O-N 3.46Å; Q286-N301 WeakPolarHBondContact CB-OD1 3.39Å; Q286-N301 WeakPolarHBondContact CG-OD1 3.4Å; Q286-N301 CarbonylContact O-C 3.58Å; Q286-N301 WeakPolarHBondContact O-CA 3.2Å; Q286-N301 PolarHBondContact OE1-OD1 2.95Å; Q286-M302 PolarHBondContact O-N 2.81Å; Q286-I385 HydrophobicContact CG-CD1 4.34Å; Q286-I385 VanDerWaalsContact NE2-CG1 3.35Å; Q286-I385 VanDerWaalsContact NE2-CG2 3.29Å
287L97.1Very high97.3Very high0 Ų018 Ų180%09%0.093CC..EExtended strand (participates in β ladder)trans-84.6122.7178.4-61.2179.8000110.2N281 H284 D285 L299 S300 W355 W361 V377 L381 I385N281-L287 HydrophobicContact CB-CB 3.77Å; N281-L287 WeakPolarHBondContact CB-O 3.3Å; N281-L287 PolarHBondContact N-O 3.38Å; H284-L287 HydrophobicContact CB-CD1 4.16Å; H284-L287 HydrophobicContact CB-CG 4.31Å; H284-L287 WeakPolarHBondContact O-CB 3.28Å; H284-L287 PolarHBondContact O-N 2.9Å; D285-L287 VanDerWaalsContact C-N 3.31Å; L287-L299 HydrophobicContact CB-CD1 4.35Å; L287-L299 HydrophobicContact CD2-CD1 4.38Å; L287-S300 WeakPolarHBondContact CA-O 3.4Å; L287-W355 HydrophobicContact CB-CH2 3.93Å; L287-W355 HydrophobicContact CB-CZ2 3.87Å; L287-W355 HydrophobicContact CD1-CH2 4.18Å; L287-W361 HydrophobicContact CD1-CE3 4.27Å; L287-W361 HydrophobicContact CD1-CZ3 3.86Å; L287-V377 HydrophobicContact CD1-CG1 4.24Å; L287-V377 HydrophobicContact CD1-CG2 4.02Å; L287-L381 HydrophobicContact CD2-CD2 3.76Å; L287-I385 HydrophobicContact CD1-CD1 4.12Å; L287-I385 HydrophobicContact CD2-CD1 3.87Å; L287-I385 HydrophobicContact CG-CD1 4.08Å
288V98.4Very high97.3Very high0 Ų018 Ų180%09%0.093CC..EExtended strand (participates in β ladder)trans-128.3132.3180-177.20000110F255 V278 R279 Y280 T290 S300 M302F255-V288 HydrophobicContact CE1-CG1 4.42Å; F255-V288 HydrophobicContact CE1-CG2 4.27Å; F255-V288 HydrophobicContact CZ-CG1 4.2Å; F255-V288 HydrophobicContact CZ-CG2 4.29Å; V278-V288 HydrophobicContact CG2-CG1 3.84Å; R279-V288 WeakPolarHBondContact O-CA 3.34Å; Y280-V288 HydrophobicContact CD1-CG2 3.75Å; Y280-V288 HydrophobicContact CE1-CG2 3.79Å; V288-T290 HydrophobicContact CG1-CG2 4.28Å; V288-S300 PolarHBondContact N-O 2.87Å; V288-S300 PolarHBondContact O-N 3.49Å; V288-M302 HydrophobicContact CB-CG 4.4Å; V288-M302 HydrophobicContact CG2-CB 4.36Å; V288-M302 HydrophobicContact CG2-CG 4.02Å
289L98.8Very high97.3Very high0 Ų018 Ų180%09%0.093CC..EExtended strand (participates in β ladder)trans-100.6140.8171.3-64.5170.8000110.5V278 R279 L297 I298 L299 A353 W355 F363V278-L289 CarbonylContact C-O 3.58Å; V278-L289 VanDerWaalsContact CA-O 3.3Å; V278-L289 WeakPolarHBondContact CA-O 3.37Å; R279-L289 HydrophobicContact CB-CB 4.38Å; R279-L289 PolarHBondContact N-O 2.87Å; R279-L289 PolarHBondContact O-N 3.19Å; L289-L297 HydrophobicContact CB-CD1 4.41Å; L289-L297 HydrophobicContact CD2-CD1 4.5Å; L289-L297 HydrophobicContact CD2-CD2 4.37Å; L289-I298 WeakPolarHBondContact CA-O 3.47Å; L289-L299 HydrophobicContact CD2-CB 4.08Å; L289-L299 HydrophobicContact CD2-CD1 3.8Å; L289-A353 HydrophobicContact CB-CB 4.22Å; L289-A353 HydrophobicContact CD1-CB 4.43Å; L289-W355 HydrophobicContact CD1-CD2 3.74Å; L289-W355 VanDerWaalsContact CD1-CE2 3.4Å; L289-W355 HydrophobicContact CD1-CE3 4.33Å; L289-W355 HydrophobicContact CD1-CG 4.13Å; L289-W355 HydrophobicContact CD1-CH2 4.35Å; L289-W355 HydrophobicContact CD1-CZ2 3.77Å; L289-W355 HydrophobicContact CD2-CH2 4.37Å; L289-W355 HydrophobicContact CD2-CZ2 4.08Å; L289-W355 HydrophobicContact CG-CD2 4.4Å; L289-W355 HydrophobicContact CG-CH2 4.2Å; L289-W355 HydrophobicContact CG-CZ2 3.49Å; L289-W355 VanDerWaalsContact CG-CZ2 3.49Å; L289-F363 HydrophobicContact CD1-CB 3.52Å; L289-F363 HydrophobicContact CD1-CD1 4.44Å; L289-F363 HydrophobicContact CD1-CD2 3.87Å; L289-F363 HydrophobicContact CD1-CG 3.69Å; L289-F363 HydrophobicContact CD2-CD1 4.35Å; L289-F363 HydrophobicContact CD2-CD2 3.8Å; L289-F363 HydrophobicContact CD2-CE1 4.4Å; L289-F363 HydrophobicContact CD2-CE2 3.85Å; L289-F363 HydrophobicContact CD2-CG 4.06Å; L289-F363 HydrophobicContact CD2-CZ 4.16Å
290T98.8Very high97.3Very high4 Ų417.3 Ų17.33%0.0259%0.091CC..EExtended strand (participates in β ladder)trans-135.4133.4172.763.10000110.2V253 H271 S277 V278 V288 L297 I298V253-T290 HydrophobicContact CB-CG2 4.47Å; V253-T290 HydrophobicContact CG1-CG2 4.23Å; V253-T290 HydrophobicContact CG2-CG2 3.79Å; H271-T290 WeakPolarHBondContact NE2-CB 3.46Å; H271-T290 PolarHBondContact NE2-O 2.95Å; H271-T290 PolarHBondContact NE2-OG1 3.28Å; S277-T290 WeakPolarHBondContact O-CA 3.42Å; V278-T290 HydrophobicContact CG2-CG2 4.18Å; V288-T290 HydrophobicContact CG1-CG2 4.28Å; T290-L297 CarbonylContact O-C 3.58Å; T290-L297 WeakPolarHBondContact O-CA 3.31Å; T290-I298 PolarHBondContact N-O 3.44Å; T290-I298 PolarHBondContact O-N 2.71Å
291A98.8Very high97.1Very high0 Ų017.5 Ų17.50%09%0.092CC..EExtended strand (participates in β ladder)trans-121.9138.9-177.400000111.1V275 W276 S277 L297 V350 A353V275-A291 CarbonylContact C-O 3.17Å; V275-A291 WeakPolarHBondContact CG1-O 3.39Å; W276-A291 PolarHBondContact N-O 2.85Å; S277-A291 PolarHBondContact N-O 3.15Å; S277-A291 PolarHBondContact O-N 3.36Å; A291-L297 HydrophobicContact CB-CD1 4.11Å; A291-V350 HydrophobicContact CB-CB 4.01Å; A291-V350 HydrophobicContact CB-CG1 3.68Å; A291-A353 HydrophobicContact CB-CB 4.14Å
292S98.8Very high97Very high0 Ų017.6 Ų17.60%09%0.092CC..EExtended strand (participates in β ladder)trans-142.2160.9-170.4173.80000114.6H271 H273 W274 D294 S295 R296 V350H271-S292 WeakPolarHBondContact CE1-CB 3.3Å; H271-S292 WeakPolarHBondContact ND1-CB 3.24Å; H273-S292 PolarHBondContact O-OG 3.47Å; H273-S292 VanDerWaalsContact O-OG 3.06Å; W274-S292 VanDerWaalsContact O-CA 3.32Å; W274-S292 WeakPolarHBondContact O-CA 3.13Å; W274-S292 WeakPolarHBondContact O-CB 3.48Å; W274-S292 PolarHBondContact O-OG 2.78Å; S292-D294 WeakPolarHBondContact CB-OD1 3.28Å; S292-D294 PolarHBondContact O-N 3.22Å; S292-D294 VanDerWaalsContact OG-CG 3.3Å; S292-D294 PolarHBondContact OG-N 3.25Å; S292-D294 PolarHBondContact OG-OD1 2.84Å; S292-S295 PolarHBondContact O-N 2.81Å; S292-R296 PolarHBondContact N-O 2.9Å; S292-V350 PolarHBondContact N-O 2.72Å; S292-V350 PolarHBondContact O-N 3.04Å
293S98.6Very high96.9Very high20 Ų2014 Ų1414%0.148%0.077CC..THydrogen-bonded Turntrans-65.4-8.8168.9-92.80000114.5H273 W274 W276 S295 S349H273-S293 WeakPolarHBondContact ND1-CB 3.37Å; W274-S293 PolarHBondContact O-N 2.76Å; W276-S293 PolarHBondContact NE1-OG 2.92Å; S293-S295 PolarHBondContact O-N 2.99Å; S293-S349 WeakPolarHBondContact CA-OG 3.34Å; S293-S349 WeakPolarHBondContact CB-OG 3.5Å; S293-S349 WeakPolarHBondContact OG-CB 3.17Å; S293-S349 PolarHBondContact OG-OG 3.41Å
294D98.4Very high96.7Very high24 Ų2414.4 Ų14.413%0.1288%0.08CC..THydrogen-bonded Turntrans-76.311.6169.765.311.7000113.6H271 S272 H273 S292 R296H271-D294 VanDerWaalsContact CA-OD2 3.31Å; H271-D294 WeakPolarHBondContact CA-OD2 3.46Å; H271-D294 IonicContact CE1-OD1 3.26Å; H271-D294 IonicContact CG-OD2 3.32Å; H271-D294 IonicContact ND1-OD1 2.87Å; H271-D294 PolarHBondContact ND1-OD1 3.21Å; H271-D294 IonicContact ND1-OD2 2.63Å; H271-D294 PolarHBondContact ND1-OD2 2.83Å; S272-D294 PolarHBondContact N-OD2 2.89Å; S272-D294 WeakPolarHBondContact OG-CB 3.41Å; S272-D294 PolarHBondContact OG-OD2 2.83Å; H273-D294 HydrophobicContact CB-CB 4.11Å; S292-D294 WeakPolarHBondContact CB-OD1 3.28Å; S292-D294 PolarHBondContact O-N 3.22Å; S292-D294 VanDerWaalsContact OG-CG 3.3Å; S292-D294 PolarHBondContact OG-N 3.25Å; S292-D294 PolarHBondContact OG-OD1 2.84Å; D294-R296 PolarHBondContact O-N 2.76Å; D294-R296 VanDerWaalsContact OD1-CB 3.26Å; D294-R296 WeakPolarHBondContact OD1-CB 3.34Å; D294-R296 PolarHBondContact OD1-N 2.83Å; D294-R296 VanDerWaalsContact OD1-N 3.12Å
295S98.3Very high96.4Very high32 Ų3213.1 Ų13.122%0.2247%0.074CC..SBendtrans65.919.1-179.4-44.10000113.7S292 S293 D348S292-S295 PolarHBondContact O-N 2.81Å; S293-S295 PolarHBondContact O-N 2.99Å; S295-D348 WeakPolarHBondContact CA-O 3.27Å; S295-D348 WeakPolarHBondContact CB-O 3.15Å; S295-D348 PolarHBondContact OG-O 3.22Å
296R98.3Very high96.3Very high90 Ų9013.6 Ų13.634%0.348%0.077SC..  trans-113.7145.8-179.3-58.9173.6164.1167.3-1.7112.5S292 D294 T342 Y343 E344S292-R296 PolarHBondContact N-O 2.9Å; D294-R296 PolarHBondContact O-N 2.76Å; D294-R296 VanDerWaalsContact OD1-CB 3.26Å; D294-R296 WeakPolarHBondContact OD1-CB 3.34Å; D294-R296 PolarHBondContact OD1-N 2.83Å; D294-R296 VanDerWaalsContact OD1-N 3.12Å; R296-T342 HydrophobicContact CB-CG2 4.18Å; R296-T342 HydrophobicContact CG-CG2 4.13Å; R296-Y343 WeakPolarHBondContact CA-O 3.34Å; R296-E344 HydrophobicContact CG-CG 4.28Å; R296-E344 IonicContact CZ-OE1 3.42Å; R296-E344 IonicContact NE-OE1 3.56Å; R296-E344 PolarHBondContact NE-OE1 2.78Å; R296-E344 IonicContact NH2-OE1 3.46Å; R296-E344 PolarHBondContact NH2-OE1 3.4Å
297L98.5Very high96Very high0 Ų015.8 Ų15.80%09%0.092CC..EExtended strand (participates in β ladder)trans-109.3132.3159176.484.7000108.1L289 T290 A291 Y343 A353 F363L289-L297 HydrophobicContact CB-CD1 4.41Å; L289-L297 HydrophobicContact CD2-CD1 4.5Å; L289-L297 HydrophobicContact CD2-CD2 4.37Å; T290-L297 CarbonylContact O-C 3.58Å; T290-L297 WeakPolarHBondContact O-CA 3.31Å; A291-L297 HydrophobicContact CB-CD1 4.11Å; L297-Y343 HydrophobicContact CD2-CD2 3.99Å; L297-Y343 HydrophobicContact CD2-CG 4.43Å; L297-Y343 HydrophobicContact CG-CD2 4.37Å; L297-Y343 PolarHBondContact N-O 3.29Å; L297-Y343 VanDerWaalsContact N-O 3.1Å; L297-Y343 WeakPolarHBondContact O-CB 3.47Å; L297-Y343 PolarHBondContact O-N 2.94Å; L297-A353 HydrophobicContact CD1-CB 3.43Å; L297-A353 VanDerWaalsContact CD1-CB 3.43Å; L297-F363 HydrophobicContact CD2-CD2 3.76Å; L297-F363 HydrophobicContact CD2-CE2 3.41Å; L297-F363 VanDerWaalsContact CD2-CE2 3.41Å
298I98.6Very high95.1Very high4 Ų419.6 Ų19.62%0.02111%0.11CC..EExtended strand (participates in β ladder)trans-116.2127.6178-60.2178.7000109.1E270 L289 T290 V339 T342E270-I298 HydrophobicContact CB-CD1 3.74Å; L289-I298 WeakPolarHBondContact CA-O 3.47Å; T290-I298 PolarHBondContact N-O 3.44Å; T290-I298 PolarHBondContact O-N 2.71Å; I298-V339 HydrophobicContact CG2-CG1 3.77Å; I298-V339 HydrophobicContact CG2-CG2 4.17Å; I298-T342 HydrophobicContact CG1-CG2 4.11Å
299L98.5Very high93.1Very high0 Ų024.5 Ų24.50%014%0.142CC..EExtended strand (participates in β ladder)trans-97123.7165.9174.864000108.6L287 L289 V340 S341 Y343 W355 F363 V377L287-L299 HydrophobicContact CB-CD1 4.35Å; L287-L299 HydrophobicContact CD2-CD1 4.38Å; L289-L299 HydrophobicContact CD2-CB 4.08Å; L289-L299 HydrophobicContact CD2-CD1 3.8Å; L299-V340 HydrophobicContact CB-CB 4.46Å; L299-V340 HydrophobicContact CD2-CB 4.2Å; L299-V340 HydrophobicContact CD2-CG1 3.99Å; L299-V340 HydrophobicContact CG-CB 4.02Å; L299-V340 HydrophobicContact CG-CG1 4.37Å; L299-V340 HydrophobicContact CG-CG2 4.39Å; L299-V340 WeakPolarHBondContact O-CA 3.37Å; L299-V340 WeakPolarHBondContact O-CB 3.27Å; L299-V340 PolarHBondContact O-N 2.75Å; L299-S341 PolarHBondContact N-O 3.44Å; L299-S341 PolarHBondContact O-N 2.95Å; L299-Y343 HydrophobicContact CB-CE2 3.87Å; L299-W355 HydrophobicContact CD1-CH2 3.72Å; L299-W355 HydrophobicContact CD1-CZ2 3.99Å; L299-F363 HydrophobicContact CD2-CE1 4.3Å; L299-F363 HydrophobicContact CD2-CZ 4.44Å; L299-V377 HydrophobicContact CD2-CB 4.48Å; L299-V377 HydrophobicContact CD2-CG1 4.32Å; L299-V377 HydrophobicContact CD2-CG2 4.15Å
300S97.6Very high90.9Very high3 Ų328.4 Ų28.42%0.02116%0.159CC..EExtended strand (participates in β ladder)trans-120.1145.5-179.1-65.80000111L287 V288L287-S300 WeakPolarHBondContact CA-O 3.4Å; V288-S300 PolarHBondContact N-O 2.87Å; V288-S300 PolarHBondContact O-N 3.49Å
301N95.1Very high88.4Confident4 Ų431.7 Ų31.72%0.02119%0.194CC..EExtended strand (participates in β ladder)trans-107.8107171.3-176.924.5000109.2Q286 D337 S338 V340Q286-N301 WeakPolarHBondContact CB-OD1 3.39Å; Q286-N301 WeakPolarHBondContact CG-OD1 3.4Å; Q286-N301 CarbonylContact O-C 3.58Å; Q286-N301 WeakPolarHBondContact O-CA 3.2Å; Q286-N301 PolarHBondContact OE1-OD1 2.95Å; N301-D337 VanDerWaalsContact O-CA 3.28Å; N301-D337 WeakPolarHBondContact O-CA 3.47Å; N301-S338 PolarHBondContact N-O 3.34Å; N301-S338 PolarHBondContact O-N 2.91Å; N301-V340 HydrophobicContact CB-CG2 3.55Å
302M94.1Very high85.6Confident4 Ų439.6 Ų39.62%0.0223%0.231CC..  trans-110.664.2-168.4-63.7-64.599.700111.2F255 L268 Q286 V288 S304 I305 S306 D337F255-M302 HydrophobicContact CZ-CG 4.32Å; L268-M302 HydrophobicContact CD1-SD 4Å; L268-M302 HydrophobicContact CD2-SD 3.95Å; Q286-M302 PolarHBondContact O-N 2.81Å; V288-M302 HydrophobicContact CB-CG 4.4Å; V288-M302 HydrophobicContact CG2-CB 4.36Å; V288-M302 HydrophobicContact CG2-CG 4.02Å; M302-S304 PolarHBondContact O-N 2.75Å; M302-I305 HydrophobicContact CB-CD1 3.74Å; M302-I305 HydrophobicContact CB-CG1 3.59Å; M302-I305 HydrophobicContact CG-CD1 4.23Å; M302-I305 WeakPolarHBondContact O-CG1 3.23Å; M302-I305 PolarHBondContact O-N 2.65Å; M302-S306 PolarHBondContact O-N 2.81Å; M302-D337 HydrophobicContact CE-CB 3.92Å; M302-D337 HydrophobicContact SD-CB 4.37Å
303V90.8Very high82.8Confident22 Ų2247.4 Ų47.413%0.13327%0.272CS..G310 helixtrans-59.7-34-175.6-173.70000112.2I305 S306 F310 L335 D337V303-I305 PolarHBondContact O-N 2.84Å; V303-S306 PolarHBondContact O-N 2.87Å; V303-F310 HydrophobicContact CG1-CB 4.34Å; V303-L335 HydrophobicContact CG1-CB 4.46Å; V303-L335 HydrophobicContact CG2-CB 3.91Å; V303-D337 PolarHBondContact N-OD1 2.84Å; V303-D337 VanDerWaalsContact N-OD1 3.1Å
304S89.3Confident80.1Confident67 Ų6752.2 Ų52.247%0.46930%0.3SS..G310 helixtrans-66.4-22.4-177.872.10000114.5M302 D337M302-S304 PolarHBondContact O-N 2.75Å; S304-D337 WeakPolarHBondContact CB-OD1 3.45Å; S304-D337 WeakPolarHBondContact CB-OD2 3.3Å; S304-D337 PolarHBondContact N-OD1 3.44Å; S304-D337 PolarHBondContact OG-OD1 2.95Å; S304-D337 VanDerWaalsContact OG-OD1 3.1Å; S304-D337 PolarHBondContact OG-OD2 2.92Å
305I89.3Confident77.2Confident0 Ų057 Ų570%033%0.325CS..G310 helixtrans-112.1-1.6-178.259.3170.4000113.2R240 F255 V265 K266 Y280 M302 V303R240-I305 VanDerWaalsContact CD-O 3.23Å; R240-I305 WeakPolarHBondContact CD-O 3.48Å; R240-I305 VanDerWaalsContact NH1-CA 3.28Å; R240-I305 PolarHBondContact NH1-O 2.83Å; F255-I305 HydrophobicContact CB-CD1 4.13Å; F255-I305 HydrophobicContact CD1-CD1 3.26Å; F255-I305 HydrophobicContact CD2-CD1 3.78Å; F255-I305 HydrophobicContact CE1-CD1 3.35Å; F255-I305 HydrophobicContact CE2-CD1 3.86Å; F255-I305 HydrophobicContact CG-CD1 3.44Å; F255-I305 VanDerWaalsContact CG-CD1 3.44Å; F255-I305 HydrophobicContact CZ-CD1 3.64Å; V265-I305 HydrophobicContact CG1-CG2 3.92Å; K266-I305 HydrophobicContact CB-CG2 4.26Å; Y280-I305 HydrophobicContact CE1-CD1 4.47Å; M302-I305 HydrophobicContact CB-CD1 3.74Å; M302-I305 HydrophobicContact CB-CG1 3.59Å; M302-I305 HydrophobicContact CG-CD1 4.23Å; M302-I305 WeakPolarHBondContact O-CG1 3.23Å; M302-I305 PolarHBondContact O-N 2.65Å; V303-I305 PolarHBondContact O-N 2.84Å
306S91.3Very high74.8Confident10 Ų1063.2 Ų63.27%0.0736%0.356CS..SBendtrans-67.7157.7174.9176.80000112.5R240 D285 M302 V303 E308R240-S306 PolarHBondContact NH1-O 3.1Å; D285-S306 WeakPolarHBondContact OD1-CB 3.46Å; D285-S306 PolarHBondContact OD1-OG 3.01Å; M302-S306 PolarHBondContact O-N 2.81Å; V303-S306 PolarHBondContact O-N 2.87Å; S306-E308 PolarHBondContact OG-N 2.94Å
307S88.4Confident72.2Confident47 Ų4767 Ų6733%0.32938%0.378SS..SBendtrans-75.7-25.8170.953.60000113.2N239 D285 P309N239-S307 WeakPolarHBondContact CB-OG 3.24Å; D285-S307 VanDerWaalsContact CG-OG 3.25Å; D285-S307 PolarHBondContact OD1-N 3.22Å; D285-S307 PolarHBondContact OD1-OG 3.02Å; D285-S307 WeakPolarHBondContact OD2-CB 3.45Å; D285-S307 PolarHBondContact OD2-N 3.4Å; D285-S307 PolarHBondContact OD2-OG 3.11Å; S307-P309 WeakPolarHBondContact O-CD 3.46Å
308E78.8Confident69.4Low80 Ų8075.8 Ų75.837%0.37442%0.419SS..SBendtrans-79.8122.3-177.3-69.5-166.8144.400111.2S306 F310S306-E308 PolarHBondContact OG-N 2.94Å; E308-F310 VanDerWaalsContact C-N 3.3Å; E308-F310 HydrophobicContact CB-CD2 3.74Å; E308-F310 HydrophobicContact CB-CE2 3.41Å; E308-F310 VanDerWaalsContact CB-CE2 3.41Å; E308-F310 HydrophobicContact CB-CZ 4.24Å; E308-F310 HydrophobicContact CG-CE2 4.25Å; E308-F310 PolarHBondContact O-N 2.81Å; E308-F310 WeakPolarHBondContact OE2-CE2 3.21Å; E308-F310 WeakPolarHBondContact OE2-CZ 3.3Å
309P55.4Low66.8Low103 Ų10383.5 Ų83.567%0.66946%0.459SS*.  trans-78.279178.231.5-32.7000110S307 G311S307-P309 WeakPolarHBondContact O-CD 3.46Å; P309-G311 PolarHBondContact O-N 2.79Å
310F52.9Low64.2Low82 Ų8288.5 Ų88.536%0.3649%0.494SS..THydrogen-bonded Turntrans-74119.8172.2-74.7-80.5000110.4V303 E308V303-F310 HydrophobicContact CG1-CB 4.34Å; E308-F310 VanDerWaalsContact C-N 3.3Å; E308-F310 HydrophobicContact CB-CD2 3.74Å; E308-F310 HydrophobicContact CB-CE2 3.41Å; E308-F310 VanDerWaalsContact CB-CE2 3.41Å; E308-F310 HydrophobicContact CB-CZ 4.24Å; E308-F310 HydrophobicContact CG-CE2 4.25Å; E308-F310 PolarHBondContact O-N 2.81Å; E308-F310 WeakPolarHBondContact OE2-CE2 3.21Å; E308-F310 WeakPolarHBondContact OE2-CZ 3.3Å
311G47.5Very low61.7Low74 Ų7497.9 Ų97.976%0.76354%0.538SS*.THydrogen-bonded Turntrans1174.8168.900000117.7P309P309-G311 PolarHBondContact O-N 2.79Å
312H38.7Very low59.1Low165 Ų165101.4 Ų101.476%0.76458%0.575SS**  trans-12112.8177.2-95.3-59.9000115.1
313L40.1Very low56.7Low164 Ų164110.2 Ų110.286%0.85962%0.616SS**SBendtrans-105.419.6177.4-70.7174.4000114
314V41.5Very low54.5Low121 Ų121116.5 Ų116.573%0.73365%0.649SS**SBendtrans-120.987.1158.5-153.70000105.5D316V314-D316 PolarHBondContact O-N 3.18Å
315D39.3Very low51.9Low124 Ų124121.2 Ų121.266%0.66367%0.669SS**  trans-58.3119.6163.7-89.1-35.3000107E317D315-E317 PolarHBondContact O-N 2.8Å
316D46.3Very low49.6Very low163 Ų163130.5 Ų130.587%0.87271%0.712SS**THydrogen-bonded Turntrans-60.58.3170.6-86.1-36.4000113.1V314V314-D316 PolarHBondContact O-N 3.18Å
317E44Very low47Very low170 Ų170138.6 Ų138.679%0.79475%0.748SS**THydrogen-bonded Turntrans-96-10.2-176.1-68.1-162.1167.700115D315D315-E317 PolarHBondContact O-N 2.8Å
318E41.1Very low44.6Very low184 Ų184145.2 Ų145.286%0.8677%0.774SS**SBendtrans-100.81.3-179.8-82-162.9165.900116.4
319L44.1Very low42.6Very low166 Ų166148.9 Ų148.987%0.86980%0.797SS**  trans-11444-179-71.8168.9000114
320S43.4Very low42Very low105 Ų105152.4 Ų152.473%0.73480%0.801SS**  trans-111.824.7174.167.40000115.9
321E44.6Very low41.5Very low200 Ų200153.3 Ų153.394%0.93582%0.818SS**SBendtrans-143.3104.1162.6-68.7-165.7172.400112.1
322G39.7Very low41.8Very low78 Ų78159.2 Ų159.280%0.80482%0.822SS**  trans148.584.7163.800000116.8
323E43.7Very low42.6Very low190 Ų190158.8 Ų158.889%0.88882%0.821SS**  trans17.1126.7150.4-63.2180161.300121.8
324D44.3Very low43.4Very low153 Ų153155.8 Ų155.882%0.81881%0.811SS**  trans39.895.6141.4-73.8-17.4000119.2
325N34.8Very low44.5Very low166 Ų166153.6 Ų153.689%0.88880%0.795SS**  trans-153115.5138.9-111.8-26.6000111.8Q327N325-Q327 PolarHBondContact O-N 3.2Å
326H40.8Very low46.6Very low196 Ų196154.6 Ų154.691%0.90779%0.793SS**  trans-68.492.4167.2-75.8-64.9000110.4
327Q37.3Very low48.8Very low179 Ų179148.7 Ų148.784%0.83676%0.762SS**  trans-129129152.6-87.9179.8-5.700108.2N325 D329N325-Q327 PolarHBondContact O-N 3.2Å; Q327-D329 PolarHBondContact O-N 3.42Å
328E38Very low51.1Low186 Ų186143.3 Ų143.387%0.86974%0.743SS**  trans-46.4104.4-175-68.1174.6154.400111.7K330E328-K330 VanDerWaalsContact C-N 3.25Å; E328-K330 PolarHBondContact O-N 2.99Å
329D36.8Very low53.7Low158 Ų158137.2 Ų137.285%0.84572%0.718SS**  trans-67.689.4169.3-149.52.2000107Q327 S331Q327-D329 PolarHBondContact O-N 3.42Å; D329-S331 PolarHBondContact O-N 3.04Å
330K42.3Very low56.2Low177 Ų177131.3 Ų131.377%0.7769%0.689SS**  trans-64.788.9164.9-82.5-174.3178.4177.40105.8E328 K332E328-K330 VanDerWaalsContact C-N 3.25Å; E328-K330 PolarHBondContact O-N 2.99Å; K330-K332 PolarHBondContact O-N 2.76Å
331S42.9Very low58.7Low100 Ų100127.8 Ų127.870%0.69966%0.664SS**  trans-39104.2162.856.20000107.7D329 E333D329-S331 PolarHBondContact O-N 3.04Å; S331-E333 VanDerWaalsContact C-N 3.32Å; S331-E333 PolarHBondContact O-N 3.08Å
332K54.3Low61.2Low198 Ų198121.3 Ų121.386%0.86164%0.638SS**  trans-61.6101.8174.9-79.7-179.2176.9179.80105.1K330K330-K332 PolarHBondContact O-N 2.76Å
333E55.3Low63.9Low156 Ų156118.6 Ų118.673%0.72960%0.604SS**PPolyproline II helixtrans-51.5135.8173.8-72.7-170164.200108.1S331 L335S331-E333 VanDerWaalsContact C-N 3.32Å; S331-E333 PolarHBondContact O-N 3.08Å; E333-L335 PolarHBondContact O-N 3Å
334P57.7Low66.4Low102 Ų102115 Ų11566%0.66259%0.587SS**PPolyproline II helixtrans-56.6131.3178.822.6-31.8000108.5K336P334-K336 PolarHBondContact O-N 3.3Å; P334-K336 VanDerWaalsContact O-N 3.1Å
335L63.7Low68.9Low74 Ų74110.2 Ų110.239%0.38756%0.56SS.*PPolyproline II helixtrans-58.3119.3177.9-70165.5000108.3V303 E333V303-L335 HydrophobicContact CG1-CB 4.46Å; V303-L335 HydrophobicContact CG2-CB 3.91Å; E333-L335 PolarHBondContact O-N 3Å
336K83.7Confident71.9Confident146 Ų146102.7 Ų102.764%0.63552%0.519SS*.PPolyproline II helixtrans-99.4149.8177.3-67.7176.8-1741690109.5P334 S338P334-K336 PolarHBondContact O-N 3.3Å; P334-K336 VanDerWaalsContact O-N 3.1Å; K336-S338 PolarHBondContact O-N 3.36Å; K336-S338 PolarHBondContact O-OG 3.02Å; K336-S338 VanDerWaalsContact O-OG 3.08Å
337D91.6Very high74.5Confident39 Ų39100.4 Ų100.421%0.20951%0.509CS..PPolyproline II helixtrans-46.5124.6165.6-65.8-10.4000109.8K266 N301 M302 V303 S304K266-D337 WeakPolarHBondContact CE-OD2 3.29Å; K266-D337 IonicContact NZ-OD2 3.15Å; K266-D337 PolarHBondContact NZ-OD2 2.73Å; N301-D337 VanDerWaalsContact O-CA 3.28Å; N301-D337 WeakPolarHBondContact O-CA 3.47Å; M302-D337 HydrophobicContact CE-CB 3.92Å; M302-D337 HydrophobicContact SD-CB 4.37Å; V303-D337 PolarHBondContact N-OD1 2.84Å; V303-D337 VanDerWaalsContact N-OD1 3.1Å; S304-D337 WeakPolarHBondContact CB-OD1 3.45Å; S304-D337 WeakPolarHBondContact CB-OD2 3.3Å; S304-D337 PolarHBondContact N-OD1 3.44Å; S304-D337 PolarHBondContact OG-OD1 2.95Å; S304-D337 VanDerWaalsContact OG-OD1 3.1Å; S304-D337 PolarHBondContact OG-OD2 2.92Å
338S93.4Very high77.3Confident56 Ų5694.7 Ų94.739%0.39248%0.484SS..EExtended strand (participates in β ladder)trans-155.3151.8-177.246.50000111.9N301 K336 V340N301-S338 PolarHBondContact N-O 3.34Å; N301-S338 PolarHBondContact O-N 2.91Å; K336-S338 PolarHBondContact O-N 3.36Å; K336-S338 PolarHBondContact O-OG 3.02Å; K336-S338 VanDerWaalsContact O-OG 3.08Å; S338-V340 PolarHBondContact O-N 2.95Å
339V96.4Very high80.2Confident56 Ų5686.5 Ų86.534%0.33945%0.448SS..EExtended strand (participates in β ladder)trans-70.2124.9163.1174.80000107.8E270 I298E270-V339 HydrophobicContact CG-CG2 3.92Å; I298-V339 HydrophobicContact CG2-CG1 3.77Å; I298-V339 HydrophobicContact CG2-CG2 4.17Å
340V95.1Very high83.1Confident43 Ų4379 Ų7926%0.26141%0.407SS..EExtended strand (participates in β ladder)trans-83.8-52.6178177.70000109.5L299 N301 S338 P378 L381L299-V340 HydrophobicContact CB-CB 4.46Å; L299-V340 HydrophobicContact CD2-CB 4.2Å; L299-V340 HydrophobicContact CD2-CG1 3.99Å; L299-V340 HydrophobicContact CG-CB 4.02Å; L299-V340 HydrophobicContact CG-CG1 4.37Å; L299-V340 HydrophobicContact CG-CG2 4.39Å; L299-V340 WeakPolarHBondContact O-CA 3.37Å; L299-V340 WeakPolarHBondContact O-CB 3.27Å; L299-V340 PolarHBondContact O-N 2.75Å; N301-V340 HydrophobicContact CB-CG2 3.55Å; S338-V340 PolarHBondContact O-N 2.95Å; V340-P378 HydrophobicContact CG1-CG 3.97Å; V340-L381 HydrophobicContact CB-CD2 4.11Å; V340-L381 HydrophobicContact CG1-CD2 3.52Å; V340-L381 HydrophobicContact CG2-CD2 3.44Å; V340-L381 VanDerWaalsContact CG2-CD2 3.44Å
341S96.3Very high85.8Confident30 Ų3072.2 Ų72.221%0.2138%0.377CS..EExtended strand (participates in β ladder)trans-149.9143.6-177.1-62.70000110.3L299 Y343L299-S341 PolarHBondContact N-O 3.44Å; L299-S341 PolarHBondContact O-N 2.95Å; S341-Y343 VanDerWaalsContact CB-CE2 3.49Å
342T97.5Very high88.4Confident64 Ų6467.9 Ų67.939%0.39335%0.347SS..EExtended strand (participates in β ladder)trans-113.2119.6166.2-55.40000107.3R296 I298 E344R296-T342 HydrophobicContact CB-CG2 4.18Å; R296-T342 HydrophobicContact CG-CG2 4.13Å; I298-T342 HydrophobicContact CG1-CG2 4.11Å; T342-E344 HydrophobicContact CG2-CG 4.22Å
343Y96.9Very high90.5Very high22 Ų2258.5 Ų58.59%0.08631%0.307CS..EExtended strand (participates in β ladder)trans-97.5124.3-179.6-62.2-82.5000108.6R296 L297 L299 S341 E345 F363 N375 R376R296-Y343 WeakPolarHBondContact CA-O 3.34Å; L297-Y343 HydrophobicContact CD2-CD2 3.99Å; L297-Y343 HydrophobicContact CD2-CG 4.43Å; L297-Y343 HydrophobicContact CG-CD2 4.37Å; L297-Y343 PolarHBondContact N-O 3.29Å; L297-Y343 VanDerWaalsContact N-O 3.1Å; L297-Y343 WeakPolarHBondContact O-CB 3.47Å; L297-Y343 PolarHBondContact O-N 2.94Å; L299-Y343 HydrophobicContact CB-CE2 3.87Å; S341-Y343 VanDerWaalsContact CB-CE2 3.49Å; Y343-E345 VanDerWaalsContact C-OE2 3.25Å; Y343-E345 VanDerWaalsContact CA-OE2 3.25Å; Y343-E345 WeakPolarHBondContact CA-OE2 3.27Å; Y343-E345 WeakPolarHBondContact CB-OE2 3.44Å; Y343-F363 HydrophobicContact CD2-CE2 4.42Å; Y343-F363 HydrophobicContact CD2-CZ 4.49Å; Y343-F363 HydrophobicContact CE2-CE2 4.02Å; Y343-F363 AromaticContact CE2-CZ 3.68Å; Y343-F363 HydrophobicContact CE2-CZ 3.68Å; Y343-F363 AromaticContact CZ-CZ 3.73Å; Y343-N375 WeakPolarHBondContact CD1-OD1 3.48Å; Y343-N375 HydrophobicContact CE1-CB 4.24Å; Y343-N375 VanDerWaalsContact CE1-OD1 3.26Å; Y343-N375 WeakPolarHBondContact CE1-OD1 3.41Å; Y343-R376 PolarHBondContact OH-O 3.31Å
344E96.3Very high92.6Very high115 Ų11552.1 Ų52.154%0.53728%0.277SS..  trans-122.322.8-173.7-54.7-165.9138.100111.8R296 T342 H346R296-E344 HydrophobicContact CG-CG 4.28Å; R296-E344 IonicContact CZ-OE1 3.42Å; R296-E344 IonicContact NE-OE1 3.56Å; R296-E344 PolarHBondContact NE-OE1 2.78Å; R296-E344 IonicContact NH2-OE1 3.46Å; R296-E344 PolarHBondContact NH2-OE1 3.4Å; T342-E344 HydrophobicContact CG2-CG 4.22Å; E344-H346 PolarHBondContact O-N 3.25Å
345E95.8Very high94.5Very high51 Ų5147.4 Ų47.424%0.23825%0.246CC..  trans-73.5-11.7-178.6-66.583.5168.300113.1P6 Y343 R371 V373P6-E345 HydrophobicContact CG-CG 4.19Å; Y343-E345 VanDerWaalsContact C-OE2 3.25Å; Y343-E345 VanDerWaalsContact CA-OE2 3.25Å; Y343-E345 WeakPolarHBondContact CA-OE2 3.27Å; Y343-E345 WeakPolarHBondContact CB-OE2 3.44Å; E345-R371 WeakPolarHBondContact O-CD 3.21Å; E345-R371 PolarHBondContact O-NE 2.78Å; E345-R371 PolarHBondContact O-NH2 3.18Å; E345-R371 VanDerWaalsContact O-NH2 3.16Å; E345-V373 HydrophobicContact CB-CG1 4.33Å; E345-V373 HydrophobicContact CB-CG2 4.16Å
346H97.5Very high96.1Very high9 Ų944.1 Ų44.14%0.04223%0.229CC..  trans-90.1143.6179.2-65.6-79.6000111.8E344 V350 S365 S367 R371E344-H346 PolarHBondContact O-N 3.25Å; H346-V350 HydrophobicContact CB-CG2 3.76Å; H346-V350 VanDerWaalsContact CD2-CG2 3.48Å; H346-V350 WeakPolarHBondContact CD2-CG2 3.47Å; H346-S365 PolarHBondContact CE1-O 3.1Å; H346-S365 WeakPolarHBondContact NE2-CB 3.33Å; H346-S365 PolarHBondContact NE2-OG 3.21Å; H346-S367 VanDerWaalsContact ND1-CB 3.26Å; H346-S367 WeakPolarHBondContact ND1-CB 3.44Å; H346-S367 PolarHBondContact ND1-OG 2.87Å; H346-R371 PolarHBondContact CE1-O 3.28Å; H346-R371 VanDerWaalsContact CE1-O 3.27Å; H346-R371 PolarHBondContact ND1-O 2.86Å
347E94.8Very high96.7Very high148 Ų14839 Ų3969%0.69221%0.212SC*.SBendtrans-104.7-5.8179.9-65.7174.1-148.300112.6R371E347-R371 IonicContact OE1-CZ 2.83Å; E347-R371 IonicContact OE1-NH1 3.1Å; E347-R371 PolarHBondContact OE1-NH1 3.47Å
348D97.7Very high96.9Very high59 Ų5938.6 Ų38.632%0.31621%0.214SC..SBendtrans-138.2176.5177.8-153.9-33.1000109.8S295 V350 D369S295-D348 WeakPolarHBondContact CA-O 3.27Å; S295-D348 WeakPolarHBondContact CB-O 3.15Å; S295-D348 PolarHBondContact OG-O 3.22Å; D348-V350 PolarHBondContact O-N 2.85Å; D348-D369 HydrophobicContact CB-CB 4.24Å
349S98.3Very high97Very high14 Ų1437.4 Ų37.410%0.09820%0.203CC..  trans-50.3125.2177.5-64.80000111.9S293 Y351 S367 Y368S293-S349 WeakPolarHBondContact CA-OG 3.34Å; S293-S349 WeakPolarHBondContact CB-OG 3.5Å; S293-S349 WeakPolarHBondContact OG-CB 3.17Å; S293-S349 PolarHBondContact OG-OG 3.41Å; S349-Y351 PolarHBondContact O-N 2.87Å; S349-S367 CarbonylContact O-C 3.57Å; S349-S367 WeakPolarHBondContact O-CA 3.23Å; S349-S367 WeakPolarHBondContact O-CB 3.33Å; S349-Y368 PolarHBondContact O-N 2.78Å
350V98.6Very high96.9Very high0 Ų036.4 Ų36.40%020%0.198CC..EExtended strand (participates in β ladder)trans-84.3112173.8-1660000108.2A291 S292 H346 D348A291-V350 HydrophobicContact CB-CB 4.01Å; A291-V350 HydrophobicContact CB-CG1 3.68Å; S292-V350 PolarHBondContact N-O 2.72Å; S292-V350 PolarHBondContact O-N 3.04Å; H346-V350 HydrophobicContact CB-CG2 3.76Å; H346-V350 VanDerWaalsContact CD2-CG2 3.48Å; H346-V350 WeakPolarHBondContact CD2-CG2 3.47Å; D348-V350 PolarHBondContact O-N 2.85Å
351Y98.4Very high97Very high35 Ų3535.3 Ų35.314%0.13719%0.189CC..EExtended strand (participates in β ladder)trans-93.8-28.3-172.9-79-58000114R16 W276 S349 L366 Y368R16-Y351 HydrophobicContact CB-CD2 4.19Å; R16-Y351 HydrophobicContact CB-CG 4.22Å; R16-Y351 HydrophobicContact CG-CD2 3.47Å; R16-Y351 VanDerWaalsContact CG-CD2 3.47Å; R16-Y351 HydrophobicContact CG-CE2 3.89Å; R16-Y351 HydrophobicContact CG-CG 3.94Å; R16-Y351 VanDerWaalsContact CZ-CD1 3.44Å; R16-Y351 VanDerWaalsContact CZ-CE2 3.41Å; R16-Y351 PolarHBondContact NH1-OH 3.21Å; R16-Y351 VanDerWaalsContact NH2-CZ 3.29Å; W276-Y351 HydrophobicContact CB-CD1 4.27Å; W276-Y351 AromaticContact CD1-CD1 3.76Å; W276-Y351 AromaticContact CD1-CE1 3.87Å; W276-Y351 AromaticContact CD2-CD1 3.55Å; W276-Y351 HydrophobicContact CD2-CD1 3.55Å; W276-Y351 AromaticContact CD2-CE1 3.62Å; W276-Y351 HydrophobicContact CD2-CE1 3.62Å; W276-Y351 AromaticContact CE2-CD1 3.74Å; W276-Y351 AromaticContact CE2-CE1 3.28Å; W276-Y351 HydrophobicContact CE3-CD1 4.03Å; W276-Y351 HydrophobicContact CE3-CE1 4.15Å; W276-Y351 AromaticContact CG-CD1 3.61Å; W276-Y351 HydrophobicContact CG-CD1 3.61Å; W276-Y351 HydrophobicContact CG-CE1 4Å; W276-Y351 HydrophobicContact CH2-CE1 4.09Å; W276-Y351 HydrophobicContact CZ2-CD1 4.31Å; W276-Y351 AromaticContact CZ2-CE1 3.51Å; W276-Y351 HydrophobicContact CZ2-CE1 3.51Å; W276-Y351 HydrophobicContact CZ3-CE1 4.37Å; W276-Y351 AromaticContact NE1-CD1 3.84Å; W276-Y351 AromaticContact NE1-CE1 3.45Å; S349-Y351 PolarHBondContact O-N 2.87Å; Y351-L366 PolarHBondContact N-O 3.14Å; Y351-Y368 HydrophobicContact CD2-CD2 4.14Å; Y351-Y368 HydrophobicContact CD2-CG 4.38Å; Y351-Y368 VanDerWaalsContact CE2-CB 3.43Å; Y351-Y368 AromaticContact CE2-CD2 3.55Å; Y351-Y368 HydrophobicContact CE2-CD2 3.55Å; Y351-Y368 AromaticContact CE2-CG 3.67Å; Y351-Y368 HydrophobicContact CE2-CG 3.67Å
352A98.1Very high97.1Very high9 Ų933.9 Ų33.97%0.07418%0.179CC..EExtended strand (participates in β ladder)trans-142144.7-177.200000110.8L18 S365 L366L18-A352 HydrophobicContact CB-CB 3.68Å; L18-A352 HydrophobicContact CD2-CB 4.27Å; A352-S365 WeakPolarHBondContact O-CA 3.38Å; A352-L366 PolarHBondContact N-O 3.34Å; A352-L366 PolarHBondContact O-N 3.31Å
353A98.3Very high97.1Very high1 Ų130.9 Ų30.91%0.00816%0.161CC..EExtended strand (participates in β ladder)trans-132.6138.8167.800000107.6R279 L289 A291 L297 A364R279-A353 VanDerWaalsContact CG-O 3.24Å; R279-A353 WeakPolarHBondContact CG-O 3.5Å; L289-A353 HydrophobicContact CB-CB 4.22Å; L289-A353 HydrophobicContact CD1-CB 4.43Å; A291-A353 HydrophobicContact CB-CB 4.14Å; L297-A353 HydrophobicContact CD1-CB 3.43Å; L297-A353 VanDerWaalsContact CD1-CB 3.43Å; A353-A364 CarbonylContact C-O 3.53Å; A353-A364 VanDerWaalsContact CA-O 3.29Å; A353-A364 WeakPolarHBondContact CA-O 3.37Å
354E98.3Very high97.2Very high22 Ų2229.8 Ų29.810%0.10316%0.157CC..EExtended strand (participates in β ladder)trans-143.4138178.6-73-62.5165.500110.7L18 R279 F363 A364L18-E354 HydrophobicContact CD2-CB 4.16Å; L18-E354 HydrophobicContact CD2-CG 4.26Å; L18-E354 HydrophobicContact CG-CB 4.21Å; L18-E354 HydrophobicContact CG-CG 4.02Å; R279-E354 IonicContact CZ-OE1 3.22Å; R279-E354 VanDerWaalsContact CZ-OE1 3.26Å; R279-E354 VanDerWaalsContact NE-CD 3.32Å; R279-E354 IonicContact NE-OE1 2.7Å; R279-E354 PolarHBondContact NE-OE1 2.93Å; R279-E354 IonicContact NE-OE2 3.52Å; R279-E354 PolarHBondContact NE-OE2 2.8Å; R279-E354 IonicContact NH2-OE1 3.39Å; R279-E354 PolarHBondContact NH2-OE1 2.8Å; E354-F363 CarbonylContact O-C 3.51Å; E354-F363 VanDerWaalsContact O-CA 3.27Å; E354-F363 WeakPolarHBondContact O-CA 3.26Å; E354-F363 WeakPolarHBondContact O-CB 3.34Å; E354-A364 PolarHBondContact N-O 2.99Å; E354-A364 PolarHBondContact O-N 3.34Å
355W98.3Very high97.3Very high2 Ų224.3 Ų24.31%0.00813%0.131CC..EExtended strand (participates in β ladder)trans-76.2146.5170.7-68.8102.1000109.9A20 R279 Y280 N281 L287 L289 L299 F363 V377A20-W355 VanDerWaalsContact CB-O 3.27Å; A20-W355 WeakPolarHBondContact CB-O 3.35Å; R279-W355 PolarHBondContact O-NE1 3.33Å; Y280-W355 PolarHBondContact O-NE1 2.91Å; N281-W355 HydrophobicContact CB-CD2 4.1Å; N281-W355 HydrophobicContact CB-CH2 4.28Å; N281-W355 HydrophobicContact CB-CZ2 3.75Å; N281-W355 VanDerWaalsContact ND2-CD2 3.31Å; N281-W355 WeakPolarHBondContact ND2-CH2 3.33Å; N281-W355 WeakPolarHBondContact ND2-CZ3 3.47Å; L287-W355 HydrophobicContact CB-CH2 3.93Å; L287-W355 HydrophobicContact CB-CZ2 3.87Å; L287-W355 HydrophobicContact CD1-CH2 4.18Å; L289-W355 HydrophobicContact CD1-CD2 3.74Å; L289-W355 VanDerWaalsContact CD1-CE2 3.4Å; L289-W355 HydrophobicContact CD1-CE3 4.33Å; L289-W355 HydrophobicContact CD1-CG 4.13Å; L289-W355 HydrophobicContact CD1-CH2 4.35Å; L289-W355 HydrophobicContact CD1-CZ2 3.77Å; L289-W355 HydrophobicContact CD2-CH2 4.37Å; L289-W355 HydrophobicContact CD2-CZ2 4.08Å; L289-W355 HydrophobicContact CG-CD2 4.4Å; L289-W355 HydrophobicContact CG-CH2 4.2Å; L289-W355 HydrophobicContact CG-CZ2 3.49Å; L289-W355 VanDerWaalsContact CG-CZ2 3.49Å; L299-W355 HydrophobicContact CD1-CH2 3.72Å; L299-W355 HydrophobicContact CD1-CZ2 3.99Å; W355-F363 HydrophobicContact CD2-CB 4.17Å; W355-F363 HydrophobicContact CE3-CB 3.76Å; W355-F363 AromaticContact CE3-CD1 3.97Å; W355-F363 HydrophobicContact CE3-CD1 3.97Å; W355-F363 HydrophobicContact CE3-CG 4.27Å; W355-F363 HydrophobicContact CH2-CD1 4.02Å; W355-F363 HydrophobicContact CH2-CE1 4.49Å; W355-F363 HydrophobicContact CZ3-CB 4.18Å; W355-F363 AromaticContact CZ3-CD1 3.48Å; W355-F363 HydrophobicContact CZ3-CD1 3.48Å; W355-F363 VanDerWaalsContact CZ3-CD1 3.48Å; W355-F363 HydrophobicContact CZ3-CE1 4.26Å; W355-F363 HydrophobicContact CZ3-CG 4.18Å; W355-V377 HydrophobicContact CH2-CG2 3.86Å; W355-V377 HydrophobicContact CZ3-CG2 3.69Å
356S97.6Very high97.4Very high5 Ų521.9 Ų21.94%0.03512%0.12CC..  trans-63141.1168.3172.20000110.1A358 D359 L362S356-A358 PolarHBondContact OG-N 3.33Å; S356-A358 VanDerWaalsContact OG-N 3.13Å; S356-D359 WeakPolarHBondContact CB-O 3.18Å; S356-D359 PolarHBondContact OG-N 2.9Å; S356-D359 VanDerWaalsContact OG-N 3.12Å; S356-L362 WeakPolarHBondContact CB-O 3.48Å; S356-L362 PolarHBondContact N-O 2.86Å
357S94.7Very high97.5Very high39 Ų3921.5 Ų21.527%0.27312%0.118SC..SBendtrans-76.9-25.1171.449.60000112.5Q21Q21-S357 WeakPolarHBondContact O-CB 3.26Å; Q21-S357 PolarHBondContact O-OG 2.86Å
358A95.7Very high97.6Very high31 Ų3118.3 Ų18.326%0.25610%0.1SC..SBendtrans-95.2-30.6-17500000113.5T25 A27 I28 S356T25-A358 VanDerWaalsContact O-CA 3.25Å; T25-A358 WeakPolarHBondContact O-CA 3.45Å; T25-A358 WeakPolarHBondContact O-CB 3.46Å; A27-A358 WeakPolarHBondContact O-CB 3.3Å; I28-A358 HydrophobicContact CG1-CB 3.99Å; S356-A358 PolarHBondContact OG-N 3.33Å; S356-A358 VanDerWaalsContact OG-N 3.13Å
359D95.8Very high97.5Very high31 Ų3118.3 Ų18.317%0.16610%0.1CC..  trans-133.7115.3178.3-173.7-19.7000110.8I28 S356 W361 L362I28-D359 HydrophobicContact CD1-CB 4.42Å; I28-D359 HydrophobicContact CG1-CB 4.36Å; S356-D359 WeakPolarHBondContact CB-O 3.18Å; S356-D359 PolarHBondContact OG-N 2.9Å; S356-D359 VanDerWaalsContact OG-N 3.12Å; D359-W361 PolarHBondContact O-N 2.87Å; D359-W361 WeakPolarHBondContact OD1-CB 3.02Å; D359-W361 PolarHBondContact OD1-N 2.98Å; D359-L362 HydrophobicContact CB-CB 4.25Å; D359-L362 HydrophobicContact CB-CD1 3.91Å; D359-L362 HydrophobicContact CB-CG 4.39Å; D359-L362 PolarHBondContact O-N 2.84Å; D359-L362 VanDerWaalsContact O-N 3.17Å
360P95.8Very high97.5Very high35 Ų3517.7 Ų17.723%0.22710%0.096CC..THydrogen-bonded Turntrans-68.1-5.2-17929.9-36.1000113.9N281N281-P360 PolarHBondContact ND2-O 2.85Å
361W96.6Very high97.4Very high19 Ų1920.5 Ų20.57%0.07211%0.106CC..THydrogen-bonded Turntrans-101.8-0.8178.6-52.3101.6000113.1H284 L287 D359 R376 V377 K382 I385 L386H284-W361 AromaticContact CD2-CH2 3.41Å; H284-W361 VanDerWaalsContact CD2-CH2 3.41Å; H284-W361 WeakPolarHBondContact CD2-CH2 3.29Å; H284-W361 AromaticContact CD2-CZ2 3.46Å; H284-W361 VanDerWaalsContact CD2-CZ2 3.46Å; H284-W361 WeakPolarHBondContact CD2-CZ2 3.31Å; H284-W361 AromaticContact CE1-CZ2 3.94Å; H284-W361 AromaticContact NE2-CE2 3.89Å; H284-W361 AromaticContact NE2-CH2 3.48Å; H284-W361 WeakPolarHBondContact NE2-CH2 3.37Å; H284-W361 AromaticContact NE2-CZ2 3.11Å; H284-W361 WeakPolarHBondContact NE2-CZ2 3.46Å; L287-W361 HydrophobicContact CD1-CE3 4.27Å; L287-W361 HydrophobicContact CD1-CZ3 3.86Å; D359-W361 PolarHBondContact O-N 2.87Å; D359-W361 WeakPolarHBondContact OD1-CB 3.02Å; D359-W361 PolarHBondContact OD1-N 2.98Å; W361-R376 CarbonylContact O-C 3.44Å; W361-R376 WeakPolarHBondContact O-CA 3.17Å; W361-V377 HydrophobicContact CB-CB 4.41Å; W361-V377 HydrophobicContact CE3-CB 3.78Å; W361-V377 HydrophobicContact CE3-CG1 3.79Å; W361-V377 HydrophobicContact CE3-CG2 4.04Å; W361-V377 HydrophobicContact CZ3-CG1 4.08Å; W361-V377 PolarHBondContact O-N 2.77Å; W361-K382 HydrophobicContact CB-CD 4.28Å; W361-K382 HydrophobicContact CD2-CB 4.19Å; W361-K382 HydrophobicContact CD2-CD 3.64Å; W361-K382 HydrophobicContact CD2-CG 3.69Å; W361-K382 HydrophobicContact CE3-CB 3.89Å; W361-K382 HydrophobicContact CE3-CD 4.19Å; W361-K382 HydrophobicContact CE3-CG 3.91Å; W361-K382 HydrophobicContact CG-CD 3.65Å; W361-K382 HydrophobicContact CG-CG 4.26Å; W361-K382 HydrophobicContact CH2-CB 4.32Å; W361-K382 HydrophobicContact CH2-CG 4.07Å; W361-K382 HydrophobicContact CZ2-CG 3.88Å; W361-K382 HydrophobicContact CZ3-CB 3.95Å; W361-K382 HydrophobicContact CZ3-CG 4.08Å; W361-I385 HydrophobicContact CH2-CB 3.93Å; W361-I385 HydrophobicContact CH2-CD1 4.26Å; W361-I385 HydrophobicContact CH2-CG2 3.8Å; W361-I385 HydrophobicContact CZ3-CD1 4.07Å; W361-L386 HydrophobicContact CH2-CG 4.45Å; W361-L386 HydrophobicContact CZ2-CD1 4.18Å; W361-L386 HydrophobicContact CZ2-CD2 3.92Å; W361-L386 HydrophobicContact CZ2-CG 3.92Å
362L97.3Very high97.4Very high1 Ų118.9 Ų18.91%0.00510%0.1CC..EExtended strand (participates in β ladder)trans-112.8143.4179-81.2165.3000111.1I28 F48 D50 S356 D359 I374 N375 R376I28-L362 HydrophobicContact CD1-CD1 3.37Å; I28-L362 HydrophobicContact CG1-CD1 4.11Å; I28-L362 HydrophobicContact CG2-CD1 4.39Å; F48-L362 HydrophobicContact CD1-CD1 4.2Å; F48-L362 HydrophobicContact CD1-CD2 4.38Å; F48-L362 HydrophobicContact CE1-CD1 4.22Å; F48-L362 HydrophobicContact CE1-CD2 3.91Å; D50-L362 HydrophobicContact CB-CD1 4.31Å; S356-L362 WeakPolarHBondContact CB-O 3.48Å; S356-L362 PolarHBondContact N-O 2.86Å; D359-L362 HydrophobicContact CB-CB 4.25Å; D359-L362 HydrophobicContact CB-CD1 3.91Å; D359-L362 HydrophobicContact CB-CG 4.39Å; D359-L362 PolarHBondContact O-N 2.84Å; D359-L362 VanDerWaalsContact O-N 3.17Å; L362-I374 HydrophobicContact CD2-CG2 4.09Å; L362-N375 WeakPolarHBondContact CA-O 3.35Å; L362-N375 WeakPolarHBondContact CD2-O 3.41Å; L362-R376 HydrophobicContact CD2-CB 4.46Å; L362-R376 HydrophobicContact CD2-CG 3.33Å; L362-R376 HydrophobicContact CG-CG 4.18Å
363F98.4Very high97.4Very high0 Ų018.4 Ų18.40%010%0.096CC..EExtended strand (participates in β ladder)trans-150.3158.6176.155.1-87.5000110.9L289 L297 L299 Y343 E354 W355 I374 N375 V377L289-F363 HydrophobicContact CD1-CB 3.52Å; L289-F363 HydrophobicContact CD1-CD1 4.44Å; L289-F363 HydrophobicContact CD1-CD2 3.87Å; L289-F363 HydrophobicContact CD1-CG 3.69Å; L289-F363 HydrophobicContact CD2-CD1 4.35Å; L289-F363 HydrophobicContact CD2-CD2 3.8Å; L289-F363 HydrophobicContact CD2-CE1 4.4Å; L289-F363 HydrophobicContact CD2-CE2 3.85Å; L289-F363 HydrophobicContact CD2-CG 4.06Å; L289-F363 HydrophobicContact CD2-CZ 4.16Å; L297-F363 HydrophobicContact CD2-CD2 3.76Å; L297-F363 HydrophobicContact CD2-CE2 3.41Å; L297-F363 VanDerWaalsContact CD2-CE2 3.41Å; L299-F363 HydrophobicContact CD2-CE1 4.3Å; L299-F363 HydrophobicContact CD2-CZ 4.44Å; Y343-F363 HydrophobicContact CD2-CE2 4.42Å; Y343-F363 HydrophobicContact CD2-CZ 4.49Å; Y343-F363 HydrophobicContact CE2-CE2 4.02Å; Y343-F363 AromaticContact CE2-CZ 3.68Å; Y343-F363 HydrophobicContact CE2-CZ 3.68Å; Y343-F363 AromaticContact CZ-CZ 3.73Å; E354-F363 CarbonylContact O-C 3.51Å; E354-F363 VanDerWaalsContact O-CA 3.27Å; E354-F363 WeakPolarHBondContact O-CA 3.26Å; E354-F363 WeakPolarHBondContact O-CB 3.34Å; W355-F363 HydrophobicContact CD2-CB 4.17Å; W355-F363 HydrophobicContact CE3-CB 3.76Å; W355-F363 AromaticContact CE3-CD1 3.97Å; W355-F363 HydrophobicContact CE3-CD1 3.97Å; W355-F363 HydrophobicContact CE3-CG 4.27Å; W355-F363 HydrophobicContact CH2-CD1 4.02Å; W355-F363 HydrophobicContact CH2-CE1 4.49Å; W355-F363 HydrophobicContact CZ3-CB 4.18Å; W355-F363 AromaticContact CZ3-CD1 3.48Å; W355-F363 HydrophobicContact CZ3-CD1 3.48Å; W355-F363 VanDerWaalsContact CZ3-CD1 3.48Å; W355-F363 HydrophobicContact CZ3-CE1 4.26Å; W355-F363 HydrophobicContact CZ3-CG 4.18Å; F363-I374 WeakPolarHBondContact O-CA 3.18Å; F363-N375 HydrophobicContact CD2-CB 3.87Å; F363-N375 HydrophobicContact CE1-CB 4.13Å; F363-N375 HydrophobicContact CE2-CB 3.25Å; F363-N375 HydrophobicContact CZ-CB 3.41Å; F363-N375 VanDerWaalsContact CZ-CB 3.41Å; F363-N375 PolarHBondContact N-O 2.98Å; F363-N375 PolarHBondContact O-N 3.12Å; F363-V377 HydrophobicContact CD1-CG2 4.35Å; F363-V377 HydrophobicContact CE1-CG2 4.05Å
364A98.5Very high97.4Very high0 Ų018.4 Ų18.40%010%0.096CC..EExtended strand (participates in β ladder)trans-122.8149.2177.300000111.1L18 F30 A353 E354 L372 V373 I374L18-A364 HydrophobicContact CD2-CB 4.16Å; F30-A364 HydrophobicContact CD1-CB 3.92Å; F30-A364 HydrophobicContact CD2-CB 4.13Å; F30-A364 HydrophobicContact CE1-CB 3.74Å; F30-A364 HydrophobicContact CE2-CB 3.96Å; F30-A364 HydrophobicContact CG-CB 4.11Å; F30-A364 HydrophobicContact CZ-CB 3.76Å; A353-A364 CarbonylContact C-O 3.53Å; A353-A364 VanDerWaalsContact CA-O 3.29Å; A353-A364 WeakPolarHBondContact CA-O 3.37Å; E354-A364 PolarHBondContact N-O 2.99Å; E354-A364 PolarHBondContact O-N 3.34Å; A364-L372 HydrophobicContact CB-CD1 4.03Å; A364-V373 CarbonylContact C-O 3.53Å; A364-V373 VanDerWaalsContact CA-O 3.25Å; A364-V373 WeakPolarHBondContact CA-O 3.35Å; A364-I374 HydrophobicContact CB-CG1 4.21Å
365S98.7Very high97.4Very high0 Ų017.5 Ų17.50%09%0.092CC..EExtended strand (participates in β ladder)trans-131.3147.1171.953.30000111.3H346 A352 L372 V373H346-S365 PolarHBondContact CE1-O 3.1Å; H346-S365 WeakPolarHBondContact NE2-CB 3.33Å; H346-S365 PolarHBondContact NE2-OG 3.21Å; A352-S365 WeakPolarHBondContact O-CA 3.38Å; S365-L372 CarbonylContact O-C 3.53Å; S365-L372 WeakPolarHBondContact O-CA 3.47Å; S365-V373 PolarHBondContact N-O 3.13Å; S365-V373 PolarHBondContact O-N 3.35Å
366L98.7Very high97.2Very high0 Ų018.9 Ų18.90%010%0.097CC..EExtended strand (participates in β ladder)trans-130.6124.8-17418070.1000111L11 A15 L18 V32 Y351 A352 L372L11-L366 HydrophobicContact CD1-CD1 4.27Å; A15-L366 HydrophobicContact CB-CD1 4.15Å; A15-L366 HydrophobicContact CB-CD2 3.92Å; A15-L366 HydrophobicContact CB-CG 4.38Å; L18-L366 HydrophobicContact CB-CB 4.29Å; L18-L366 HydrophobicContact CB-CD2 4.05Å; L18-L366 HydrophobicContact CD2-CB 4.14Å; V32-L366 HydrophobicContact CG1-CD1 3.93Å; V32-L366 HydrophobicContact CG1-CD2 3.63Å; V32-L366 HydrophobicContact CG1-CG 4.44Å; Y351-L366 PolarHBondContact N-O 3.14Å; A352-L366 PolarHBondContact N-O 3.34Å; A352-L366 PolarHBondContact O-N 3.31Å; L366-L372 HydrophobicContact CB-CD1 4.36Å; L366-L372 HydrophobicContact CD1-CB 4.24Å; L366-L372 HydrophobicContact CD1-CD1 4.38Å
367S98.3Very high97.2Very high0 Ų018.8 Ų18.80%010%0.096CC..EExtended strand (participates in β ladder)trans-99.9162171.351.90000113.4H346 S349 D369 G370 R371H346-S367 VanDerWaalsContact ND1-CB 3.26Å; H346-S367 WeakPolarHBondContact ND1-CB 3.44Å; H346-S367 PolarHBondContact ND1-OG 2.87Å; S349-S367 CarbonylContact O-C 3.57Å; S349-S367 WeakPolarHBondContact O-CA 3.23Å; S349-S367 WeakPolarHBondContact O-CB 3.33Å; S367-D369 VanDerWaalsContact C-N 3.26Å; S367-D369 WeakPolarHBondContact CB-OD1 3.47Å; S367-D369 PolarHBondContact O-N 2.78Å; S367-D369 PolarHBondContact OG-OD1 2.89Å; S367-G370 PolarHBondContact O-N 3.17Å; S367-R371 PolarHBondContact N-O 2.95Å; S367-R371 WeakPolarHBondContact OG-CB 3.46Å; S367-R371 PolarHBondContact OG-O 3.07Å
368Y97.8Very high97.1Very high82 Ų8218.8 Ų18.832%0.32210%0.096SC..THydrogen-bonded Turntrans-56.1-38.3-174.1-169-129.9000114.6Q14 A15 R16 S349 Y351 G370Q14-Y368 CarbonylContact C-O 3.55Å; Q14-Y368 WeakPolarHBondContact CA-O 3.34Å; Q14-Y368 HydrophobicContact CB-CD2 4.19Å; Q14-Y368 HydrophobicContact CB-CE1 4.46Å; Q14-Y368 HydrophobicContact CB-CE2 3.79Å; Q14-Y368 WeakPolarHBondContact CB-O 3.27Å; Q14-Y368 HydrophobicContact CG-CD1 4.3Å; Q14-Y368 HydrophobicContact CG-CE1 3.88Å; Q14-Y368 HydrophobicContact CG-CE2 4.12Å; Q14-Y368 WeakPolarHBondContact CG-O 3.39Å; A15-Y368 PolarHBondContact N-O 3.41Å; A15-Y368 VanDerWaalsContact N-O 3.11Å; A15-Y368 WeakPolarHBondContact O-CA 3.4Å; R16-Y368 HydrophobicContact CG-CD2 3.82Å; R16-Y368 HydrophobicContact CG-CE2 4.24Å; S349-Y368 PolarHBondContact O-N 2.78Å; Y351-Y368 HydrophobicContact CD2-CD2 4.14Å; Y351-Y368 HydrophobicContact CD2-CG 4.38Å; Y351-Y368 VanDerWaalsContact CE2-CB 3.43Å; Y351-Y368 AromaticContact CE2-CD2 3.55Å; Y351-Y368 HydrophobicContact CE2-CD2 3.55Å; Y351-Y368 AromaticContact CE2-CG 3.67Å; Y351-Y368 HydrophobicContact CE2-CG 3.67Å; Y368-G370 PolarHBondContact O-N 2.98Å
369D96.6Very high96.9Very high59 Ų5922.4 Ų22.432%0.31610%0.103SC..THydrogen-bonded Turntrans-66.60.2179.565.2-16.3000113.5D348 S367 R371D348-D369 HydrophobicContact CB-CB 4.24Å; S367-D369 VanDerWaalsContact C-N 3.26Å; S367-D369 WeakPolarHBondContact CB-OD1 3.47Å; S367-D369 PolarHBondContact O-N 2.78Å; S367-D369 PolarHBondContact OG-OD1 2.89Å; D369-R371 WeakPolarHBondContact OD1-CB 3.08Å; D369-R371 PolarHBondContact OD1-N 3.19Å
370G96.6Very high96.6Very high1 Ų124.3 Ų24.31%0.0112%0.123CC..SBendtrans86.217.3179.700000112.8L11 S367 Y368L11-G370 WeakPolarHBondContact CB-O 3.37Å; L11-G370 WeakPolarHBondContact CD1-O 3.36Å; L11-G370 PolarHBondContact N-O 2.91Å; S367-G370 PolarHBondContact O-N 3.17Å; Y368-G370 PolarHBondContact O-N 2.98Å
371R97.9Very high96.3Very high59 Ų5923.6 Ų23.622%0.22312%0.117CC..EExtended strand (participates in β ladder)trans-87.9112.1175.8-168.6-177.5-171.5133-14.6110.9I8 E345 H346 E347 S367 D369 V373I8-R371 HydrophobicContact CG2-CG 3.71Å; E345-R371 WeakPolarHBondContact O-CD 3.21Å; E345-R371 PolarHBondContact O-NE 2.78Å; E345-R371 PolarHBondContact O-NH2 3.18Å; E345-R371 VanDerWaalsContact O-NH2 3.16Å; H346-R371 PolarHBondContact CE1-O 3.28Å; H346-R371 VanDerWaalsContact CE1-O 3.27Å; H346-R371 PolarHBondContact ND1-O 2.86Å; E347-R371 IonicContact OE1-CZ 2.83Å; E347-R371 IonicContact OE1-NH1 3.1Å; E347-R371 PolarHBondContact OE1-NH1 3.47Å; S367-R371 PolarHBondContact N-O 2.95Å; S367-R371 WeakPolarHBondContact OG-CB 3.46Å; S367-R371 PolarHBondContact OG-O 3.07Å; D369-R371 WeakPolarHBondContact OD1-CB 3.08Å; D369-R371 PolarHBondContact OD1-N 3.19Å; R371-V373 HydrophobicContact CG-CG2 4.2Å
372L98.4Very high96Very high0 Ų025.5 Ų25.50%013%0.126CC..EExtended strand (participates in β ladder)trans-93.3130.5169.8-177.973.3000109.2I8 Y9 L11 L18 V32 I46 A364 S365 L366I8-L372 WeakPolarHBondContact CA-O 3.31Å; Y9-L372 HydrophobicContact CD1-CB 4.37Å; Y9-L372 HydrophobicContact CD1-CD2 4.29Å; Y9-L372 PolarHBondContact N-O 3.23Å; Y9-L372 PolarHBondContact O-N 2.83Å; L11-L372 HydrophobicContact CD1-CB 4.22Å; L18-L372 HydrophobicContact CD1-CD1 3.9Å; L18-L372 HydrophobicContact CD2-CD1 4.32Å; V32-L372 HydrophobicContact CG2-CD1 4.1Å; V32-L372 HydrophobicContact CG2-CD2 4.13Å; I46-L372 HydrophobicContact CB-CD2 4.25Å; I46-L372 HydrophobicContact CG1-CD2 3.84Å; I46-L372 HydrophobicContact CG2-CD2 3.89Å; A364-L372 HydrophobicContact CB-CD1 4.03Å; S365-L372 CarbonylContact O-C 3.53Å; S365-L372 WeakPolarHBondContact O-CA 3.47Å; L366-L372 HydrophobicContact CB-CD1 4.36Å; L366-L372 HydrophobicContact CD1-CB 4.24Å; L366-L372 HydrophobicContact CD1-CD1 4.38Å
373V98.1Very high95.5Very high0 Ų032.1 Ų32.10%015%0.151CC..EExtended strand (participates in β ladder)trans-124.2124176.9-1730000108.9P6 V7 I8 E345 A364 S365 R371 N375P6-V373 HydrophobicContact CB-CG1 3.77Å; V7-V373 WeakPolarHBondContact O-CA 3.46Å; I8-V373 HydrophobicContact CG1-CG1 4.29Å; I8-V373 HydrophobicContact CG1-CG2 4.25Å; I8-V373 HydrophobicContact CG2-CG2 4.47Å; E345-V373 HydrophobicContact CB-CG1 4.33Å; E345-V373 HydrophobicContact CB-CG2 4.16Å; A364-V373 CarbonylContact C-O 3.53Å; A364-V373 VanDerWaalsContact CA-O 3.25Å; A364-V373 WeakPolarHBondContact CA-O 3.35Å; S365-V373 PolarHBondContact N-O 3.13Å; S365-V373 PolarHBondContact O-N 3.35Å; R371-V373 HydrophobicContact CG-CG2 4.2Å; V373-N375 VanDerWaalsContact CG1-ND2 3.3Å; V373-N375 WeakPolarHBondContact CG1-ND2 3.33Å
374I98.1Very high94.9Very high0 Ų040 Ų400%018%0.181CC..EExtended strand (participates in β ladder)trans-101.4125.5174.6-57.2-179.8000108.3P6 V7 F30 I46 F48 I55 L362 F363 A364P6-I374 WeakPolarHBondContact CA-O 3.2Å; V7-I374 PolarHBondContact N-O 2.81Å; V7-I374 PolarHBondContact O-N 3.19Å; F30-I374 HydrophobicContact CD2-CD1 4.21Å; F30-I374 HydrophobicContact CE2-CD1 4.28Å; I46-I374 HydrophobicContact CG2-CD1 4.19Å; F48-I374 HydrophobicContact CB-CD1 3.9Å; F48-I374 HydrophobicContact CD1-CG2 4.02Å; F48-I374 HydrophobicContact CD2-CD1 3.88Å; F48-I374 HydrophobicContact CE1-CG2 4.02Å; F48-I374 HydrophobicContact CG-CD1 3.89Å; F48-I374 HydrophobicContact CG-CG2 4.25Å; F48-I374 HydrophobicContact CZ-CG2 4.26Å; I55-I374 HydrophobicContact CD1-CD1 3.9Å; I55-I374 HydrophobicContact CG1-CD1 4.2Å; L362-I374 HydrophobicContact CD2-CG2 4.09Å; F363-I374 WeakPolarHBondContact O-CA 3.18Å; A364-I374 HydrophobicContact CB-CG1 4.21Å
375N96.9Very high94.3Very high4 Ų440.6 Ų40.62%0.02118%0.184CC..EExtended strand (participates in β ladder)trans-128158.7-173.2-87.7-67000111.4P6 Y343 L362 F363 V373P6-N375 WeakPolarHBondContact CB-OD1 3.02Å; Y343-N375 WeakPolarHBondContact CD1-OD1 3.48Å; Y343-N375 HydrophobicContact CE1-CB 4.24Å; Y343-N375 VanDerWaalsContact CE1-OD1 3.26Å; Y343-N375 WeakPolarHBondContact CE1-OD1 3.41Å; L362-N375 WeakPolarHBondContact CA-O 3.35Å; L362-N375 WeakPolarHBondContact CD2-O 3.41Å; F363-N375 HydrophobicContact CD2-CB 3.87Å; F363-N375 HydrophobicContact CE1-CB 4.13Å; F363-N375 HydrophobicContact CE2-CB 3.25Å; F363-N375 HydrophobicContact CZ-CB 3.41Å; F363-N375 VanDerWaalsContact CZ-CB 3.41Å; F363-N375 PolarHBondContact N-O 2.98Å; F363-N375 PolarHBondContact O-N 3.12Å; V373-N375 VanDerWaalsContact CG1-ND2 3.3Å; V373-N375 WeakPolarHBondContact CG1-ND2 3.33Å
376R95.8Very high93.7Very high31 Ų3145.4 Ų45.412%0.11721%0.209CC..EExtended strand (participates in β ladder)trans-113.8145.7177.1-68.5171.5-172.293.3-9.8110.6A5 F48 D50 N53 Y343 W361 L362A5-R376 PolarHBondContact O-NH1 2.87Å; F48-R376 VanDerWaalsContact CZ-NH2 3.25Å; D50-R376 IonicContact OD1-CZ 2.79Å; D50-R376 IonicContact OD1-NE 3.19Å; D50-R376 PolarHBondContact OD1-NE 2.84Å; D50-R376 IonicContact OD1-NH2 2.71Å; D50-R376 PolarHBondContact OD1-NH2 3.05Å; N53-R376 PolarHBondContact OD1-NH1 2.62Å; N53-R376 VanDerWaalsContact OD1-NH1 3.11Å; N53-R376 PolarHBondContact OD1-NH2 3.36Å; Y343-R376 PolarHBondContact OH-O 3.31Å; W361-R376 CarbonylContact O-C 3.44Å; W361-R376 WeakPolarHBondContact O-CA 3.17Å; L362-R376 HydrophobicContact CD2-CB 4.46Å; L362-R376 HydrophobicContact CD2-CG 3.33Å; L362-R376 HydrophobicContact CG-CG 4.18Å
377V95.9Very high92.5Very high3 Ų353.8 Ų53.82%0.01825%0.253CS..  trans-63.3130.5165.9176.60000108.3L287 L299 W355 W361 F363 R379 L381L287-V377 HydrophobicContact CD1-CG1 4.24Å; L287-V377 HydrophobicContact CD1-CG2 4.02Å; L299-V377 HydrophobicContact CD2-CB 4.48Å; L299-V377 HydrophobicContact CD2-CG1 4.32Å; L299-V377 HydrophobicContact CD2-CG2 4.15Å; W355-V377 HydrophobicContact CH2-CG2 3.86Å; W355-V377 HydrophobicContact CZ3-CG2 3.69Å; W361-V377 HydrophobicContact CB-CB 4.41Å; W361-V377 HydrophobicContact CE3-CB 3.78Å; W361-V377 HydrophobicContact CE3-CG1 3.79Å; W361-V377 HydrophobicContact CE3-CG2 4.04Å; W361-V377 HydrophobicContact CZ3-CG1 4.08Å; W361-V377 PolarHBondContact O-N 2.77Å; F363-V377 HydrophobicContact CD1-CG2 4.35Å; F363-V377 HydrophobicContact CE1-CG2 4.05Å; V377-R379 PolarHBondContact O-N 2.77Å; V377-L381 HydrophobicContact CG1-CB 4.39Å; V377-L381 HydrophobicContact CG1-CD2 4.17Å; V377-L381 HydrophobicContact CG1-CG 4.44Å
378P94.1Very high92.2Very high39 Ų3956.5 Ų56.525%0.25327%0.266SS..  trans-53.3130.8-178.2-29.535.8000112.5V340 A380 L381 K382V340-P378 HydrophobicContact CG1-CG 3.97Å; P378-A380 PolarHBondContact O-N 2.78Å; P378-A380 VanDerWaalsContact O-N 3.1Å; P378-L381 WeakPolarHBondContact O-CA 3.41Å; P378-L381 WeakPolarHBondContact O-CB 3.37Å; P378-L381 PolarHBondContact O-N 2.73Å; P378-K382 PolarHBondContact O-N 2.88Å
379R91Very high91.9Very high107 Ų10755.2 Ų55.240%0.40426%0.263SS..Hα-helixtrans-51.5-40.3-176.8-69.2179.7-173.6-160.4-3.4113.2D3 D4 V377 L381 K382 Y383D3-R379 IonicContact OD2-NH2 3.78Å; D4-R379 IonicContact OD1-CZ 3.23Å; D4-R379 IonicContact OD1-NE 3.36Å; D4-R379 PolarHBondContact OD1-NE 2.87Å; D4-R379 IonicContact OD1-NH2 3.75Å; D4-R379 PolarHBondContact OD1-NH2 3.4Å; D4-R379 WeakPolarHBondContact OD2-CD 3.3Å; D4-R379 WeakPolarHBondContact OD2-CG 3.41Å; D4-R379 IonicContact OD2-NE 2.83Å; D4-R379 PolarHBondContact OD2-NE 3.02Å; V377-R379 PolarHBondContact O-N 2.77Å; R379-L381 VanDerWaalsContact C-N 3.28Å; R379-L381 PolarHBondContact O-N 3.24Å; R379-K382 PolarHBondContact O-N 3.47Å; R379-Y383 HydrophobicContact CB-CD2 4.38Å; R379-Y383 HydrophobicContact CB-CE2 4.07Å; R379-Y383 WeakPolarHBondContact O-CD2 3.19Å; R379-Y383 PolarHBondContact O-N 3.36Å
380A88.3Confident91.6Very high71 Ų7154.9 Ų54.959%0.58726%0.26SS*.Hα-helixtrans-60.6-36.3178.600000112.8P378 R384P378-A380 PolarHBondContact O-N 2.78Å; P378-A380 VanDerWaalsContact O-N 3.1Å; A380-R384 VanDerWaalsContact O-CG 3.3Å; A380-R384 WeakPolarHBondContact O-CG 3.47Å; A380-R384 PolarHBondContact O-N 3.26Å
381L89.6Confident91.3Very high19 Ų1958.1 Ų58.110%0.09928%0.275CS..Hα-helixtrans-76.2-44.2174.6-178.661.6000110.9L287 V340 V377 P378 R379 Y383 R384 I385L287-L381 HydrophobicContact CD2-CD2 3.76Å; V340-L381 HydrophobicContact CB-CD2 4.11Å; V340-L381 HydrophobicContact CG1-CD2 3.52Å; V340-L381 HydrophobicContact CG2-CD2 3.44Å; V340-L381 VanDerWaalsContact CG2-CD2 3.44Å; V377-L381 HydrophobicContact CG1-CB 4.39Å; V377-L381 HydrophobicContact CG1-CD2 4.17Å; V377-L381 HydrophobicContact CG1-CG 4.44Å; P378-L381 WeakPolarHBondContact O-CA 3.41Å; P378-L381 WeakPolarHBondContact O-CB 3.37Å; P378-L381 PolarHBondContact O-N 2.73Å; R379-L381 VanDerWaalsContact C-N 3.28Å; R379-L381 PolarHBondContact O-N 3.24Å; L381-Y383 VanDerWaalsContact C-N 3.32Å; L381-Y383 PolarHBondContact O-N 2.87Å; L381-R384 WeakPolarHBondContact O-CA 3.48Å; L381-R384 WeakPolarHBondContact O-CB 3.24Å; L381-R384 PolarHBondContact O-N 3.42Å; L381-I385 HydrophobicContact CD1-CD1 4.04Å; L381-I385 HydrophobicContact CD1-CG1 4.19Å; L381-I385 HydrophobicContact CD2-CD1 4.4Å; L381-I385 HydrophobicContact CG-CD1 3.82Å; L381-I385 HydrophobicContact CG-CG1 4.36Å; L381-I385 WeakPolarHBondContact O-CG1 3.37Å; L381-I385 PolarHBondContact O-N 2.91Å
382K90.6Very high90.9Very high60 Ų6058.1 Ų58.126%0.26128%0.278SS..Hα-helixtrans-50.6-50.3174.7173.5171.4-178.5166.50111.8W361 P378 R379 R384 I385 L386W361-K382 HydrophobicContact CB-CD 4.28Å; W361-K382 HydrophobicContact CD2-CB 4.19Å; W361-K382 HydrophobicContact CD2-CD 3.64Å; W361-K382 HydrophobicContact CD2-CG 3.69Å; W361-K382 HydrophobicContact CE3-CB 3.89Å; W361-K382 HydrophobicContact CE3-CD 4.19Å; W361-K382 HydrophobicContact CE3-CG 3.91Å; W361-K382 HydrophobicContact CG-CD 3.65Å; W361-K382 HydrophobicContact CG-CG 4.26Å; W361-K382 HydrophobicContact CH2-CB 4.32Å; W361-K382 HydrophobicContact CH2-CG 4.07Å; W361-K382 HydrophobicContact CZ2-CG 3.88Å; W361-K382 HydrophobicContact CZ3-CB 3.95Å; W361-K382 HydrophobicContact CZ3-CG 4.08Å; P378-K382 PolarHBondContact O-N 2.88Å; R379-K382 PolarHBondContact O-N 3.47Å; K382-R384 VanDerWaalsContact C-N 3.31Å; K382-R384 PolarHBondContact O-N 3.12Å; K382-I385 PolarHBondContact O-N 3.2Å; K382-L386 HydrophobicContact CG-CD1 3.9Å; K382-L386 WeakPolarHBondContact O-CG 3.33Å; K382-L386 PolarHBondContact O-N 2.93Å
383Y87.3Confident90.4Very high140 Ų14061.9 Ų61.955%0.54930%0.297SS..Hα-helixtrans-63.8-33.5177.1-69.5-57000113.4R379 L381 I385 L387R379-Y383 HydrophobicContact CB-CD2 4.38Å; R379-Y383 HydrophobicContact CB-CE2 4.07Å; R379-Y383 WeakPolarHBondContact O-CD2 3.19Å; R379-Y383 PolarHBondContact O-N 3.36Å; L381-Y383 VanDerWaalsContact C-N 3.32Å; L381-Y383 PolarHBondContact O-N 2.87Å; Y383-I385 VanDerWaalsContact C-N 3.31Å; Y383-L387 VanDerWaalsContact O-CB 3.31Å; Y383-L387 WeakPolarHBondContact O-CB 3.35Å; Y383-L387 WeakPolarHBondContact O-CD1 3.49Å; Y383-L387 WeakPolarHBondContact O-CG 3.38Å; Y383-L387 PolarHBondContact O-N 2.97Å
384R86.3Confident89.9Confident165 Ų16566.4 Ų66.462%0.62332%0.318SS*.Hα-helixtrans-71.3-26.2176.5-77.8175.4173.3-176.1-1.9113.6A380 L381 K382A380-R384 VanDerWaalsContact O-CG 3.3Å; A380-R384 WeakPolarHBondContact O-CG 3.47Å; A380-R384 PolarHBondContact O-N 3.26Å; L381-R384 WeakPolarHBondContact O-CA 3.48Å; L381-R384 WeakPolarHBondContact O-CB 3.24Å; L381-R384 PolarHBondContact O-N 3.42Å; K382-R384 VanDerWaalsContact C-N 3.31Å; K382-R384 PolarHBondContact O-N 3.12Å
385I85.9Confident89.2Confident13 Ų1371.5 Ų71.57%0.06734%0.342CS..Hα-helixtrans-83.3-33.6177.9-66.6174.8000110.5H284 Q286 L287 W361 L381 K382 Y383H284-I385 HydrophobicContact CB-CG2 4.49Å; Q286-I385 HydrophobicContact CG-CD1 4.34Å; Q286-I385 VanDerWaalsContact NE2-CG1 3.35Å; Q286-I385 VanDerWaalsContact NE2-CG2 3.29Å; L287-I385 HydrophobicContact CD1-CD1 4.12Å; L287-I385 HydrophobicContact CD2-CD1 3.87Å; L287-I385 HydrophobicContact CG-CD1 4.08Å; W361-I385 HydrophobicContact CH2-CB 3.93Å; W361-I385 HydrophobicContact CH2-CD1 4.26Å; W361-I385 HydrophobicContact CH2-CG2 3.8Å; W361-I385 HydrophobicContact CZ3-CD1 4.07Å; L381-I385 HydrophobicContact CD1-CD1 4.04Å; L381-I385 HydrophobicContact CD1-CG1 4.19Å; L381-I385 HydrophobicContact CD2-CD1 4.4Å; L381-I385 HydrophobicContact CG-CD1 3.82Å; L381-I385 HydrophobicContact CG-CG1 4.36Å; L381-I385 WeakPolarHBondContact O-CG1 3.37Å; L381-I385 PolarHBondContact O-N 2.91Å; K382-I385 PolarHBondContact O-N 3.2Å; Y383-I385 VanDerWaalsContact C-N 3.31Å
386L85.1Confident88.6Confident100 Ų10077.1 Ų77.152%0.52437%0.369SS..Hα-helixtrans-82.1-15.2-179.1-69175.2000114.8W361 K382W361-L386 HydrophobicContact CH2-CG 4.45Å; W361-L386 HydrophobicContact CZ2-CD1 4.18Å; W361-L386 HydrophobicContact CZ2-CD2 3.92Å; W361-L386 HydrophobicContact CZ2-CG 3.92Å; K382-L386 HydrophobicContact CG-CD1 3.9Å; K382-L386 WeakPolarHBondContact O-CG 3.33Å; K382-L386 PolarHBondContact O-N 2.93Å
387L73.4Confident88Confident177 Ų17781.3 Ų81.393%0.92739%0.392SS*.  trans-109.40-179.1-67.5173.4000110.5Y383Y383-L387 VanDerWaalsContact O-CB 3.31Å; Y383-L387 WeakPolarHBondContact O-CB 3.35Å; Y383-L387 WeakPolarHBondContact O-CD1 3.49Å; Y383-L387 WeakPolarHBondContact O-CG 3.38Å; Y383-L387 PolarHBondContact O-N 2.97Å

Retrieved 387 of 387 residues in 1037.9 ms (Link to these results)

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