A0A096N1G9_PAPAN Loading...

Mediator of RNA polymerase II transcription subunit 18

Component of the Mediator complex, a coactivator involved in the regulated transcription of nearly all RNA polymerase II-dependent genes. Mediator functions as a bridge to convey information from gene-specific regulatory proteins to the basal RNA polymerase II transcription machinery. Mediator is recruited to promoters by direct interactions with regulatory proteins and serves as a scaffold for the assembly of a functional preinitiation complex with RNA polymerase II and the general transcription factors.

AlphaFold DB (A0A2K6DCR9), UniProt , Accession A0A096N1G9, Species PAPAN (Papio anubis, Olive baboon), Gene MED18, Length 208 aa.

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

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.9Very low41.8Very low251 Ų251142.5 Ų142.5100%1.23681%0.811SS**  092.10-125.9172.4-169.300105.7
2E38.9Very low41.7Very low198 Ų198142.9 Ų142.993%0.92582%0.819SS**PPolyproline II helixtrans-71.5129173.5-101.6168.5103.300108.2
3A38.7Very low41.5Very low90 Ų90134.2 Ų134.274%0.74478%0.779SS**PPolyproline II helixtrans-64.8138.7170.600000108.5
4P39.8Very low41.7Very low109 Ų109130.9 Ų130.971%0.70879%0.789SS**PPolyproline II helixtrans-61.4147.9178.625.8-31.7000110V6P4-V6 PolarHBondContact O-N 3.22Å
5P44.9Very low42.5Very low114 Ų114126.9 Ų126.974%0.7477%0.765SS**PPolyproline II helixtrans-58.3130.7174.424.6-31.3000108.5T7P5-T7 VanDerWaalsContact C-N 3.34Å; P5-T7 PolarHBondContact O-N 2.88Å
6V47.7Very low43.4Very low133 Ų133124.2 Ų124.281%0.80674%0.744SS**  trans-63.899.3174.1-177.60000106.8P4 M8P4-V6 PolarHBondContact O-N 3.22Å; V6-M8 PolarHBondContact O-N 3.17Å
7T43.5Very low45.1Very low114 Ų114123.8 Ų123.870%0.69974%0.737SS**  trans-62.9105.1172-38.90000106.6P5 M9P5-T7 VanDerWaalsContact C-N 3.34Å; P5-T7 PolarHBondContact O-N 2.88Å; T7-M9 PolarHBondContact O-N 3.39Å
8M40.9Very low47.6Very low174 Ų174119.8 Ų119.886%0.85771%0.71SS**  trans-67.685.1173.6-56.1-158-69.600107.3V6V6-M8 PolarHBondContact O-N 3.17Å
9M36.9Very low49.9Very low156 Ų156113.7 Ų113.777%0.76867%0.674SS**PPolyproline II helixtrans-60.6127.8165.5-72.5-165.9169.500106.5T7 V11T7-M9 PolarHBondContact O-N 3.39Å; M9-V11 PolarHBondContact O-N 3.35Å
10P42Very low52.2Low114 Ų114108.3 Ų108.374%0.7464%0.642SS**PPolyproline II helixtrans-59.6118.6173.224.6-29.8000106.5T12P10-T12 PolarHBondContact O-N 3.31Å; P10-T12 VanDerWaalsContact O-N 3.09Å
11V43Very low54.2Low115 Ų115103.3 Ų103.370%0.69761%0.612SS**PPolyproline II helixtrans-55.4120.8170.9178.20000105.3M9 G13 I16M9-V11 PolarHBondContact O-N 3.35Å; V11-G13 PolarHBondContact O-N 3.45Å; V11-I16 HydrophobicContact CB-CD1 3.7Å; V11-I16 HydrophobicContact CG1-CD1 4.07Å; V11-I16 WeakPolarHBondContact O-CD1 3.49Å
12T39.8Very low56.6Low147 Ų14791.4 Ų91.490%0.90255%0.553SS**  trans-81.561.5175.939.80000108.9P10P10-T12 PolarHBondContact O-N 3.31Å; P10-T12 VanDerWaalsContact O-N 3.09Å
13G39.3Very low59.4Low29 Ų2982.1 Ų82.130%0.29951%0.51SS..  trans-104.9121.317000000108.7V11 T15 I16V11-G13 PolarHBondContact O-N 3.45Å; G13-T15 PolarHBondContact O-N 3.1Å; G13-I16 WeakPolarHBondContact O-CD1 3.47Å; G13-I16 WeakPolarHBondContact O-CG1 3.42Å; G13-I16 PolarHBondContact O-N 2.93Å
14G45.1Very low62.1Low89 Ų8979.8 Ų79.892%0.91848%0.484SS*.THydrogen-bonded Turntrans-60.48.7-173.800000117
15T52.9Low64.8Low70 Ų7075.3 Ų75.343%0.42946%0.457SS..THydrogen-bonded Turntrans-110-3.6-176.351.40000114.5G13 N17 M18G13-T15 PolarHBondContact O-N 3.1Å; T15-N17 PolarHBondContact O-N 3.08Å; T15-N17 VanDerWaalsContact O-N 3.13Å; T15-M18 PolarHBondContact O-N 3.24Å
16I57.2Low67.3Low84 Ų8473.2 Ų73.243%0.43145%0.445SS..THydrogen-bonded Turntrans-71.9-12-164.8-70.3159.7000114.7V11 G13V11-I16 HydrophobicContact CB-CD1 3.7Å; V11-I16 HydrophobicContact CG1-CD1 4.07Å; V11-I16 WeakPolarHBondContact O-CD1 3.49Å; G13-I16 WeakPolarHBondContact O-CD1 3.47Å; G13-I16 WeakPolarHBondContact O-CG1 3.42Å; G13-I16 PolarHBondContact O-N 2.93Å
17N72.1Confident69.7Low118 Ų11867.2 Ų67.263%0.63141%0.408SS*.THydrogen-bonded Turntrans-122.130.2178.1-69.4-14.5000113.5T15 A177T15-N17 PolarHBondContact O-N 3.08Å; T15-N17 VanDerWaalsContact O-N 3.13Å; N17-A177 PolarHBondContact O-N 3.46Å
18M90.1Very high72.3Confident52 Ų5266.2 Ų66.226%0.25640%0.399SS..EExtended strand (participates in β ladder)trans-85.8131.9175.2-61.3-60-77.200111T15 C105 V174 P176T15-M18 PolarHBondContact O-N 3.24Å; M18-C105 PolarHBondContact O-N 3.38Å; M18-V174 HydrophobicContact CB-CG1 3.82Å; M18-V174 HydrophobicContact CE-CG1 3.8Å; M18-V174 HydrophobicContact CG-CG1 4.41Å; M18-P176 HydrophobicContact SD-CG 4.1Å
19M92.3Very high74.9Confident4 Ų460.7 Ų60.72%0.0237%0.373CS..EExtended strand (participates in β ladder)trans-105.4133176.5-56.6-58.5-76.500109.6Y21 E92 V102 R103 N104 V174 A175 A177M19-Y21 HydrophobicContact CB-CD2 4.43Å; M19-Y21 HydrophobicContact CB-CE2 3.94Å; M19-E92 HydrophobicContact CE-CG 4.15Å; M19-E92 WeakPolarHBondContact CE-OE1 3.36Å; M19-V102 HydrophobicContact CB-CG1 4.07Å; M19-V102 HydrophobicContact CE-CG1 3.57Å; M19-V102 HydrophobicContact CG-CG1 4.45Å; M19-R103 CarbonylContact C-O 3.59Å; M19-R103 WeakPolarHBondContact CA-O 3.47Å; M19-N104 PolarHBondContact SD-OD1 3.1Å; M19-V174 WeakPolarHBondContact O-CA 3.36Å; M19-A175 PolarHBondContact N-O 3.26Å; M19-A175 PolarHBondContact O-N 2.9Å; M19-A177 HydrophobicContact CG-CB 3.77Å; M19-A177 HydrophobicContact SD-CB 4.44Å
20E94.1Very high77.8Confident5 Ų560.3 Ų60.32%0.02337%0.369CS..EExtended strand (participates in β ladder)trans-86.7123.3164.5-178.3-178.8-109.100108.8L22 R86 L88 V102 R103 C105 V173E20-L22 HydrophobicContact CG-CB 4.47Å; E20-R86 IonicContact OE1-NH1 2.67Å; E20-R86 PolarHBondContact OE1-NH1 2.89Å; E20-L88 WeakPolarHBondContact OE2-CD2 3.21Å; E20-V102 WeakPolarHBondContact O-CA 3.44Å; E20-R103 HydrophobicContact CB-CG 4.37Å; E20-R103 PolarHBondContact N-O 3.48Å; E20-R103 PolarHBondContact O-N 3.39Å; E20-R103 VanDerWaalsContact O-N 3.08Å; E20-R103 IonicContact OE2-CZ 3.54Å; E20-R103 VanDerWaalsContact OE2-CZ 3.24Å; E20-R103 IonicContact OE2-NE 3.22Å; E20-R103 PolarHBondContact OE2-NE 3.03Å; E20-R103 IonicContact OE2-NH2 2.59Å; E20-R103 PolarHBondContact OE2-NH2 3.37Å; E20-C105 HydrophobicContact CB-CB 3.61Å; E20-V173 WeakPolarHBondContact CA-O 3.48Å
21Y94.6Very high80.4Confident3 Ų356.4 Ų56.41%0.01234%0.344CS..EExtended strand (participates in β ladder)trans-96127165.6-64.4-110.4000107.2M19 A100 L101 V102 S172 V173 A175 Q179 V182 M186M19-Y21 HydrophobicContact CB-CD2 4.43Å; M19-Y21 HydrophobicContact CB-CE2 3.94Å; Y21-A100 HydrophobicContact CD1-CB 4.41Å; Y21-L101 CarbonylContact C-O 3.57Å; Y21-L101 VanDerWaalsContact CA-O 3.25Å; Y21-L101 WeakPolarHBondContact CA-O 3.34Å; Y21-V102 HydrophobicContact CD1-CG2 3.59Å; Y21-V102 HydrophobicContact CE1-CG1 4.44Å; Y21-V102 HydrophobicContact CE1-CG2 3.71Å; Y21-V102 HydrophobicContact CG-CG2 4.24Å; Y21-S172 CarbonylContact O-C 3.59Å; Y21-S172 WeakPolarHBondContact O-CA 3.47Å; Y21-V173 PolarHBondContact N-O 2.79Å; Y21-V173 PolarHBondContact O-N 3.45Å; Y21-A175 HydrophobicContact CE2-CB 4.22Å; Y21-Q179 PolarHBondContact OH-N 3.24Å; Y21-Q179 PolarHBondContact OH-O 3.47Å; Y21-Q179 VanDerWaalsContact OH-O 3.1Å; Y21-V182 HydrophobicContact CD1-CB 4.24Å; Y21-V182 HydrophobicContact CD1-CG1 3.9Å; Y21-V182 HydrophobicContact CD2-CG1 3.9Å; Y21-V182 HydrophobicContact CE1-CB 4.19Å; Y21-V182 HydrophobicContact CE1-CG1 4.32Å; Y21-V182 HydrophobicContact CE2-CG1 4.34Å; Y21-V182 HydrophobicContact CG-CB 4.43Å; Y21-V182 HydrophobicContact CG-CG1 3.69Å; Y21-M186 WeakPolarHBondContact CB-SD 3.31Å; Y21-M186 HydrophobicContact CG-SD 4.4Å; Y21-M186 WeakPolarHBondContact O-CE 3.49Å
22L95.4Very high82.9Confident1 Ų152 Ų521%0.00532%0.316CS..EExtended strand (participates in β ladder)trans-134.5132.3-173.6-179.568000111.8E20 Q24 L101 E170 L171 I202E20-L22 HydrophobicContact CG-CB 4.47Å; L22-Q24 HydrophobicContact CD1-CG 4.17Å; L22-Q24 HydrophobicContact CD2-CG 4.22Å; L22-Q24 HydrophobicContact CG-CG 4.14Å; L22-L101 HydrophobicContact CB-CB 4.37Å; L22-L101 HydrophobicContact CB-CD2 4.36Å; L22-L101 PolarHBondContact N-O 2.97Å; L22-L101 PolarHBondContact O-N 2.88Å; L22-E170 HydrophobicContact CD1-CB 4.17Å; L22-L171 WeakPolarHBondContact CA-O 3.23Å; L22-I202 HydrophobicContact CD2-CD1 4.02Å
23L96.5Very high85.7Confident4 Ų452.8 Ų52.82%0.02131%0.31CS..EExtended strand (participates in β ladder)trans-120142.7160.9-62.8176.7000108.9H99 A100 L171 M186 A190 L199L23-H99 WeakPolarHBondContact CD2-O 3.31Å; L23-A100 HydrophobicContact CD2-CB 4.13Å; L23-A100 HydrophobicContact CG-CB 4.3Å; L23-L171 HydrophobicContact CB-CB 4.39Å; L23-L171 HydrophobicContact CD1-CD2 4.25Å; L23-L171 PolarHBondContact N-O 2.82Å; L23-L171 PolarHBondContact O-N 2.84Å; L23-M186 HydrophobicContact CD1-CB 4.16Å; L23-M186 HydrophobicContact CG-CE 4.13Å; L23-A190 HydrophobicContact CD1-CB 4.01Å; L23-L199 HydrophobicContact CB-CB 4Å
24Q96.4Very high88.4Confident41 Ų4154.6 Ų54.619%0.19232%0.318CS..EExtended strand (participates in β ladder)trans-129.9151.8176.6-74.1-168.8-12.700111.9L22 V169 E170 L199 E200 I202L22-Q24 HydrophobicContact CD1-CG 4.17Å; L22-Q24 HydrophobicContact CD2-CG 4.22Å; L22-Q24 HydrophobicContact CG-CG 4.14Å; Q24-V169 CarbonylContact C-O 3.49Å; Q24-V169 WeakPolarHBondContact CA-O 3.29Å; Q24-E170 HydrophobicContact CG-CG 4.04Å; Q24-E170 PolarHBondContact NE2-OE1 3.41Å; Q24-L199 WeakPolarHBondContact O-CA 3.42Å; Q24-E200 PolarHBondContact N-O 3.03Å; Q24-E200 PolarHBondContact O-N 3.27Å; Q24-I202 HydrophobicContact CB-CD1 3.94Å; Q24-I202 HydrophobicContact CB-CG1 3.74Å; Q24-I202 HydrophobicContact CG-CD1 3.54Å; Q24-I202 HydrophobicContact CG-CG1 3.94Å
25G96.8Very high91Very high14 Ų1450.3 Ų50.314%0.14427%0.274CS..EExtended strand (participates in β ladder)trans-156.8-169.6168.100000109.7L168 V169 H198 L199G25-L168 WeakPolarHBondContact O-CD1 3.31Å; G25-V169 PolarHBondContact N-O 2.75Å; G25-V169 PolarHBondContact O-N 2.85Å; G25-H198 WeakPolarHBondContact CA-O 3.28Å; G25-L199 VanDerWaalsContact N-CD2 3.35Å
26S97Very high93.1Very high71 Ų7147.7 Ų47.750%0.49726%0.257SS..EExtended strand (participates in β ladder)trans-144.7157.417660.70000110.7Y167S26-Y167 CarbonylContact C-O 3.49Å; S26-Y167 WeakPolarHBondContact CA-O 3.33Å; S26-Y167 WeakPolarHBondContact CB-O 3.37Å
27V97.8Very high94.9Very high6 Ų650.3 Ų50.34%0.03627%0.267CS..EExtended strand (participates in β ladder)trans-132.7141.3175.766.70000109.2L35 S166 Y167 V169V27-L35 HydrophobicContact CB-CD2 4.09Å; V27-L35 HydrophobicContact CG1-CD2 3.64Å; V27-L35 HydrophobicContact CG2-CD2 4.44Å; V27-S166 CarbonylContact O-C 3.48Å; V27-S166 WeakPolarHBondContact O-CA 3.35Å; V27-S166 VanDerWaalsContact O-CB 3.3Å; V27-S166 WeakPolarHBondContact O-CB 3.07Å; V27-Y167 PolarHBondContact N-O 2.86Å; V27-Y167 PolarHBondContact O-N 3.18Å; V27-V169 HydrophobicContact CB-CG2 4.45Å; V27-V169 HydrophobicContact CG1-CG2 4.03Å
28L97.7Very high96.1Very high94 Ų9450 Ų5049%0.49226%0.257SS..EExtended strand (participates in β ladder)trans-71.4153.2176.7-65174.4000110.7H30 S31 L32L28-H30 VanDerWaalsContact C-N 3.28Å; L28-H30 VanDerWaalsContact CB-CE1 3.47Å; L28-H30 WeakPolarHBondContact CB-CE1 3.37Å; L28-H30 VanDerWaalsContact CD1-CE1 3.42Å; L28-H30 WeakPolarHBondContact CD1-CE1 3.43Å; L28-H30 PolarHBondContact O-N 2.86Å; L28-S31 WeakPolarHBondContact O-CA 3.42Å; L28-S31 PolarHBondContact O-N 3.2Å; L28-L32 PolarHBondContact O-N 2.71Å
29D96.8Very high96.5Very high58 Ų5847.5 Ų47.531%0.3125%0.245SC..G310 helixtrans-51.7-43.7-175.9-71.5-10.3000113.8S31 L32 K147 L165 S166 Y167D29-S31 PolarHBondContact O-N 3.08Å; D29-L32 VanDerWaalsContact O-CB 3.31Å; D29-L32 WeakPolarHBondContact O-CB 3.37Å; D29-L32 PolarHBondContact O-N 3.21Å; D29-K147 VanDerWaalsContact OD1-CE 3.29Å; D29-K147 WeakPolarHBondContact OD1-CE 3.49Å; D29-K147 IonicContact OD1-NZ 3.09Å; D29-K147 PolarHBondContact OD1-NZ 3.4Å; D29-K147 IonicContact OD2-NZ 3.8Å; D29-K147 PolarHBondContact OD2-NZ 2.8Å; D29-L165 VanDerWaalsContact CG-C 3.48Å; D29-L165 VanDerWaalsContact CG-O 3.26Å; D29-L165 PolarHBondContact N-O 3.15Å; D29-S166 PolarHBondContact OD1-N 2.84Å; D29-Y167 WeakPolarHBondContact OD1-CD2 3.42Å; D29-Y167 VanDerWaalsContact OD1-CE2 3.31Å; D29-Y167 WeakPolarHBondContact OD1-CE2 3.3Å
30H96.4Very high96.7Very high148 Ų14851.2 Ų51.269%0.68526%0.259SS*.G310 helixtrans-67.3-18.9-179.963.9-102.2000113.6L28L28-H30 VanDerWaalsContact C-N 3.28Å; L28-H30 VanDerWaalsContact CB-CE1 3.47Å; L28-H30 WeakPolarHBondContact CB-CE1 3.37Å; L28-H30 VanDerWaalsContact CD1-CE1 3.42Å; L28-H30 WeakPolarHBondContact CD1-CE1 3.43Å; L28-H30 PolarHBondContact O-N 2.86Å
31S96.8Very high96.8Very high32 Ų3253.2 Ų53.222%0.22428%0.281CS..G310 helixtrans-96.6-2.9-179.7-69.80000112.7L28 D29 E33 S34 L35L28-S31 WeakPolarHBondContact O-CA 3.42Å; L28-S31 PolarHBondContact O-N 3.2Å; D29-S31 PolarHBondContact O-N 3.08Å; S31-E33 PolarHBondContact O-N 3.3Å; S31-S34 PolarHBondContact O-N 3.3Å; S31-L35 PolarHBondContact O-N 2.75Å; S31-L35 VanDerWaalsContact O-N 3.1Å
32L96.9Very high96.8Very high22 Ų2253.9 Ų53.912%0.11529%0.285CS..Hα-helixtrans-56.6-51.5-177.4176.867.5000112.1L28 D29 S34 L35 I36 V145 Y167L28-L32 PolarHBondContact O-N 2.71Å; D29-L32 VanDerWaalsContact O-CB 3.31Å; D29-L32 WeakPolarHBondContact O-CB 3.37Å; D29-L32 PolarHBondContact O-N 3.21Å; L32-S34 VanDerWaalsContact C-N 3.27Å; L32-S34 PolarHBondContact O-N 2.86Å; L32-L35 WeakPolarHBondContact O-CB 3.4Å; L32-L35 PolarHBondContact O-N 3.08Å; L32-L35 VanDerWaalsContact O-N 3.08Å; L32-I36 HydrophobicContact CD1-CD1 4.37Å; L32-I36 HydrophobicContact CD1-CG1 3.99Å; L32-I36 HydrophobicContact CG-CG1 4.17Å; L32-I36 WeakPolarHBondContact O-CG1 3.45Å; L32-I36 PolarHBondContact O-N 2.68Å; L32-V145 HydrophobicContact CD1-CG1 3.6Å; L32-Y167 HydrophobicContact CB-CD2 4.43Å; L32-Y167 HydrophobicContact CB-CE2 4.42Å; L32-Y167 HydrophobicContact CD1-CD1 3.92Å; L32-Y167 HydrophobicContact CD1-CD2 4.06Å; L32-Y167 HydrophobicContact CD1-CE1 4.17Å; L32-Y167 HydrophobicContact CD1-CE2 4.32Å; L32-Y167 HydrophobicContact CD1-CG 3.87Å; L32-Y167 HydrophobicContact CD2-CD1 4.47Å; L32-Y167 HydrophobicContact CD2-CD2 4.26Å; L32-Y167 HydrophobicContact CD2-CE1 3.91Å; L32-Y167 HydrophobicContact CD2-CE2 3.69Å; L32-Y167 VanDerWaalsContact CD2-CZ 3.49Å; L32-Y167 HydrophobicContact CG-CD2 4.48Å; L32-Y167 HydrophobicContact CG-CE2 4.36Å
33E96.8Very high96.8Very high163 Ų16353.9 Ų53.976%0.76229%0.285SS*.Hα-helixtrans-61.2-38.9-175.6-67-173.3170.400111.9S31 I36 H37S31-E33 PolarHBondContact O-N 3.3Å; E33-I36 PolarHBondContact O-N 3.46Å; E33-H37 WeakPolarHBondContact O-CB 3.41Å; E33-H37 PolarHBondContact O-N 2.98Å
34S97.7Very high96.6Very high67 Ų6759.3 Ų59.347%0.46931%0.314SS..Hα-helixtrans-64.1-41.6175.8-67.30000111.5S31 L32 R38S31-S34 PolarHBondContact O-N 3.3Å; L32-S34 VanDerWaalsContact C-N 3.27Å; L32-S34 PolarHBondContact O-N 2.86Å; S34-R38 WeakPolarHBondContact O-CB 3.29Å; S34-R38 PolarHBondContact O-N 3.44Å
35L97.9Very high96.2Very high0 Ų063.4 Ų63.40%034%0.337CS..Hα-helixtrans-65.5-45.6175.318063.3000111.9V27 S31 L32 H37 R38 L39 V145 V169 L193 L196 V197V27-L35 HydrophobicContact CB-CD2 4.09Å; V27-L35 HydrophobicContact CG1-CD2 3.64Å; V27-L35 HydrophobicContact CG2-CD2 4.44Å; S31-L35 PolarHBondContact O-N 2.75Å; S31-L35 VanDerWaalsContact O-N 3.1Å; L32-L35 WeakPolarHBondContact O-CB 3.4Å; L32-L35 PolarHBondContact O-N 3.08Å; L32-L35 VanDerWaalsContact O-N 3.08Å; L35-H37 VanDerWaalsContact C-N 3.34Å; L35-H37 PolarHBondContact O-N 3.01Å; L35-R38 PolarHBondContact O-N 3.36Å; L35-L39 HydrophobicContact CD1-CD1 4.17Å; L35-L39 HydrophobicContact CD1-CG 4.21Å; L35-L39 HydrophobicContact CD2-CD1 4.48Å; L35-L39 HydrophobicContact CG-CD1 3.93Å; L35-L39 HydrophobicContact CG-CG 4.4Å; L35-L39 WeakPolarHBondContact O-CB 3.3Å; L35-L39 WeakPolarHBondContact O-CG 3.21Å; L35-L39 PolarHBondContact O-N 3.5Å; L35-V145 HydrophobicContact CD2-CG1 4.17Å; L35-V145 HydrophobicContact CD2-CG2 4.06Å; L35-V169 HydrophobicContact CD2-CG2 3.62Å; L35-L193 HydrophobicContact CD1-CD2 4.19Å; L35-L196 HydrophobicContact CD1-CB 4.44Å; L35-V197 HydrophobicContact CD1-CG1 3.76Å; L35-V197 HydrophobicContact CD2-CG1 4.47Å
36I97.4Very high95.6Very high15 Ų1568.7 Ų68.78%0.07736%0.359CS..Hα-helixtrans-59.6-45.6177.9-68.9-62.1000110.6L32 E33 R38 L39 R40 H134 F136 V145L32-I36 HydrophobicContact CD1-CD1 4.37Å; L32-I36 HydrophobicContact CD1-CG1 3.99Å; L32-I36 HydrophobicContact CG-CG1 4.17Å; L32-I36 WeakPolarHBondContact O-CG1 3.45Å; L32-I36 PolarHBondContact O-N 2.68Å; E33-I36 PolarHBondContact O-N 3.46Å; I36-R38 PolarHBondContact O-N 3.47Å; I36-L39 PolarHBondContact O-N 3.37Å; I36-R40 WeakPolarHBondContact O-CG 3.48Å; I36-R40 PolarHBondContact O-N 2.89Å; I36-H134 HydrophobicContact CD1-CB 3.87Å; I36-F136 HydrophobicContact CD1-CE2 3.6Å; I36-F136 HydrophobicContact CD1-CZ 3.74Å; I36-F136 HydrophobicContact CG2-CZ 4.2Å; I36-V145 HydrophobicContact CD1-CB 4.45Å
37H96.6Very high95.2Very high138 Ų13871.4 Ų71.464%0.63936%0.364SS*.Hα-helixtrans-61-44.1176.7-176.176.4000111.9E33 L35 R40 G41E33-H37 WeakPolarHBondContact O-CB 3.41Å; E33-H37 PolarHBondContact O-N 2.98Å; L35-H37 VanDerWaalsContact C-N 3.34Å; L35-H37 PolarHBondContact O-N 3.01Å; H37-R40 PolarHBondContact O-N 2.68Å; H37-G41 PolarHBondContact O-N 3.32Å
38R97.2Very high94.9Very high112 Ų11272 Ų7242%0.42337%0.368SS..Hα-helixtrans-62.1-44.3176-179.359.3171-171.20.3112S34 L35 I36 R40 G41 L42 Q192 L193 L196S34-R38 WeakPolarHBondContact O-CB 3.29Å; S34-R38 PolarHBondContact O-N 3.44Å; L35-R38 PolarHBondContact O-N 3.36Å; I36-R38 PolarHBondContact O-N 3.47Å; R38-R40 PolarHBondContact O-N 3.07Å; R38-G41 PolarHBondContact O-N 3.29Å; R38-L42 HydrophobicContact CG-CD1 4.16Å; R38-L42 WeakPolarHBondContact O-CG 3.44Å; R38-L42 PolarHBondContact O-N 3.24Å; R38-L42 VanDerWaalsContact O-N 3.07Å; R38-Q192 PolarHBondContact NE-O 3.4Å; R38-Q192 PolarHBondContact NH2-O 2.95Å; R38-L193 HydrophobicContact CG-CD2 4.23Å; R38-L196 HydrophobicContact CB-CD1 3.8Å; R38-L196 HydrophobicContact CG-CD1 4.08Å
39L97.4Very high94.8Very high0 Ų070.4 Ų70.40%036%0.358CS..Hα-helixtrans-64-38.5179.3-77.7170.4000112.2L35 I36 G41 L42 C43 F136 I143 V145 F189 L193L35-L39 HydrophobicContact CD1-CD1 4.17Å; L35-L39 HydrophobicContact CD1-CG 4.21Å; L35-L39 HydrophobicContact CD2-CD1 4.48Å; L35-L39 HydrophobicContact CG-CD1 3.93Å; L35-L39 HydrophobicContact CG-CG 4.4Å; L35-L39 WeakPolarHBondContact O-CB 3.3Å; L35-L39 WeakPolarHBondContact O-CG 3.21Å; L35-L39 PolarHBondContact O-N 3.5Å; I36-L39 PolarHBondContact O-N 3.37Å; L39-G41 PolarHBondContact O-N 3.21Å; L39-L42 PolarHBondContact O-N 3.21Å; L39-C43 VanDerWaalsContact O-CB 3.29Å; L39-C43 WeakPolarHBondContact O-CB 3.37Å; L39-C43 PolarHBondContact O-N 2.85Å; L39-C43 PolarHBondContact O-SG 3.2Å; L39-F136 HydrophobicContact CB-CD1 4.02Å; L39-F136 HydrophobicContact CB-CD2 4.17Å; L39-F136 HydrophobicContact CB-CE1 3.77Å; L39-F136 HydrophobicContact CB-CE2 3.94Å; L39-F136 HydrophobicContact CB-CG 4.2Å; L39-F136 HydrophobicContact CB-CZ 3.7Å; L39-F136 HydrophobicContact CD1-CD2 3.89Å; L39-F136 HydrophobicContact CD1-CE2 3.7Å; L39-F136 HydrophobicContact CD1-CZ 4.27Å; L39-F136 HydrophobicContact CG-CE2 4.47Å; L39-I143 HydrophobicContact CD1-CG2 4.11Å; L39-I143 HydrophobicContact CD2-CG1 4.47Å; L39-I143 HydrophobicContact CD2-CG2 3.97Å; L39-V145 HydrophobicContact CD1-CG2 3.55Å; L39-F189 HydrophobicContact CD2-CE1 4.18Å; L39-F189 HydrophobicContact CD2-CZ 4.03Å; L39-L193 HydrophobicContact CD2-CD1 4.39Å; L39-L193 HydrophobicContact CD2-CD2 3.71Å; L39-L193 HydrophobicContact CG-CD2 4.24Å
40R96.3Very high94.7Very high81 Ų8171.6 Ų71.631%0.30637%0.368SS..Hα-helixtrans-55.6-50.5171.7-73.3179.5-177.9166.5-1111.1I36 H37 R38 L42 C43 N45 E47 F136I36-R40 WeakPolarHBondContact O-CG 3.48Å; I36-R40 PolarHBondContact O-N 2.89Å; H37-R40 PolarHBondContact O-N 2.68Å; R38-R40 PolarHBondContact O-N 3.07Å; R40-L42 VanDerWaalsContact C-N 3.26Å; R40-L42 PolarHBondContact O-N 3.19Å; R40-C43 CarbonylContact O-C 3.54Å; R40-C43 PolarHBondContact O-N 3.18Å; R40-N45 WeakPolarHBondContact O-CA 3.35Å; R40-N45 PolarHBondContact O-N 3.36Å; R40-E47 IonicContact CZ-OE1 2.68Å; R40-E47 IonicContact CZ-OE2 2.71Å; R40-E47 IonicContact NE-OE1 3.16Å; R40-E47 PolarHBondContact NE-OE1 3.23Å; R40-E47 IonicContact NE-OE2 3.73Å; R40-E47 PolarHBondContact NE-OE2 2.77Å; R40-E47 IonicContact NH1-OE1 2.68Å; R40-E47 IonicContact NH2-OE1 2.75Å; R40-E47 PolarHBondContact NH2-OE1 2.82Å; R40-E47 IonicContact NH2-OE2 2.63Å; R40-E47 PolarHBondContact NH2-OE2 2.87Å; R40-F136 HydrophobicContact CG-CE1 3.87Å
41G95.9Very high94.8Very high48 Ų4865.4 Ų65.450%0.49534%0.339SS..Hα-helixtrans-61.2-33.3178.600000113.7H37 R38 L39H37-G41 PolarHBondContact O-N 3.32Å; R38-G41 PolarHBondContact O-N 3.29Å; L39-G41 PolarHBondContact O-N 3.21Å
42L95.9Very high94.8Very high17 Ų1766.2 Ų66.29%0.08934%0.34CS..Hα-helixtrans-81.8-26178.6-67.5177.4000113.8R38 L39 R40 K138 F189 Q192 L193R38-L42 HydrophobicContact CG-CD1 4.16Å; R38-L42 WeakPolarHBondContact O-CG 3.44Å; R38-L42 PolarHBondContact O-N 3.24Å; R38-L42 VanDerWaalsContact O-N 3.07Å; L39-L42 PolarHBondContact O-N 3.21Å; R40-L42 VanDerWaalsContact C-N 3.26Å; R40-L42 PolarHBondContact O-N 3.19Å; L42-K138 VanDerWaalsContact O-CD 3.3Å; L42-K138 WeakPolarHBondContact O-CD 3.3Å; L42-K138 WeakPolarHBondContact O-CE 3.19Å; L42-K138 PolarHBondContact O-NZ 2.82Å; L42-F189 HydrophobicContact CB-CE2 3.91Å; L42-F189 HydrophobicContact CB-CZ 4.17Å; L42-F189 HydrophobicContact CD1-CE2 4.34Å; L42-F189 HydrophobicContact CD1-CZ 4.27Å; L42-Q192 HydrophobicContact CD1-CB 4.02Å; L42-Q192 HydrophobicContact CD2-CB 4.19Å; L42-Q192 VanDerWaalsContact CD2-OE1 3.24Å; L42-L193 HydrophobicContact CD1-CD2 3.59Å; L42-L193 HydrophobicContact CD1-CG 4.37Å
43C95.1Very high94.8Very high1 Ų165.8 Ų65.81%0.00734%0.338CS..THydrogen-bonded Turntrans-106.246.6-177.8-54.10000111.1L39 R40 N45 M46 F136L39-C43 VanDerWaalsContact O-CB 3.29Å; L39-C43 WeakPolarHBondContact O-CB 3.37Å; L39-C43 PolarHBondContact O-N 2.85Å; L39-C43 PolarHBondContact O-SG 3.2Å; R40-C43 CarbonylContact O-C 3.54Å; R40-C43 PolarHBondContact O-N 3.18Å; C43-N45 VanDerWaalsContact C-N 3.26Å; C43-N45 PolarHBondContact O-N 2.95Å; C43-M46 PolarHBondContact O-N 3.41Å; C43-F136 HydrophobicContact CB-CB 4.39Å; C43-F136 HydrophobicContact CB-CD1 4.3Å
44D91.7Very high94.9Very high117 Ų11758.1 Ų58.163%0.62630%0.302SS*.THydrogen-bonded Turntrans59.529.8171.3-51.2-41.8000115.2M46D44-M46 PolarHBondContact O-N 3.38Å
45N87.5Confident94.9Very high127 Ų12756 Ų5668%0.67929%0.285SS*.THydrogen-bonded Turntrans57.623.8-178-58.3-56.3000114.4R40 C43R40-N45 WeakPolarHBondContact O-CA 3.35Å; R40-N45 PolarHBondContact O-N 3.36Å; C43-N45 VanDerWaalsContact C-N 3.26Å; C43-N45 PolarHBondContact O-N 2.95Å
46M85Confident94.8Very high125 Ų12557 Ų5762%0.61629%0.29SS*.PPolyproline II helixtrans-73.7139.8172.2-65.4-169.869.400110.9C43 D44C43-M46 PolarHBondContact O-N 3.41Å; D44-M46 PolarHBondContact O-N 3.38Å
47E88.2Confident94.8Very high128 Ų12856.7 Ų56.760%0.59829%0.289SS*.PPolyproline II helixtrans-67133.8169.6-77.1-62143.900110R40R40-E47 IonicContact CZ-OE1 2.68Å; R40-E47 IonicContact CZ-OE2 2.71Å; R40-E47 IonicContact NE-OE1 3.16Å; R40-E47 PolarHBondContact NE-OE1 3.23Å; R40-E47 IonicContact NE-OE2 3.73Å; R40-E47 PolarHBondContact NE-OE2 2.77Å; R40-E47 IonicContact NH1-OE1 2.68Å; R40-E47 IonicContact NH2-OE1 2.75Å; R40-E47 PolarHBondContact NH2-OE1 2.82Å; R40-E47 IonicContact NH2-OE2 2.63Å; R40-E47 PolarHBondContact NH2-OE2 2.87Å
48P91.8Very high94.8Very high18 Ų1850.1 Ų50.112%0.11726%0.259CS..PPolyproline II helixtrans-65.3142.217824.2-30.9000111.6H134 F136P48-H134 HydrophobicContact CB-CB 3.92Å; P48-H134 HydrophobicContact CG-CB 4.4Å; P48-F136 HydrophobicContact CB-CD1 4Å; P48-F136 HydrophobicContact CB-CD2 4.06Å; P48-F136 HydrophobicContact CB-CE1 3.62Å; P48-F136 HydrophobicContact CB-CE2 3.68Å; P48-F136 HydrophobicContact CB-CG 4.22Å; P48-F136 HydrophobicContact CB-CZ 3.46Å; P48-F136 VanDerWaalsContact CB-CZ 3.46Å; P48-F136 HydrophobicContact CG-CE1 3.82Å; P48-F136 HydrophobicContact CG-CE2 4.19Å; P48-F136 HydrophobicContact CG-CZ 3.57Å
49E94.6Very high94.7Very high61 Ų6146 Ų4629%0.28525%0.245SC..EExtended strand (participates in β ladder)trans-71.4128.6166.5179.7174.8-162.300108.8R78 H134 L135 R137E49-R78 VanDerWaalsContact CD-NH2 3.33Å; E49-R78 IonicContact OE1-CZ 3.2Å; E49-R78 IonicContact OE1-NH1 3.93Å; E49-R78 PolarHBondContact OE1-NH1 2.86Å; E49-R78 IonicContact OE1-NH2 3.36Å; E49-R78 PolarHBondContact OE1-NH2 2.94Å; E49-H134 CarbonylContact O-C 3.55Å; E49-H134 WeakPolarHBondContact O-CA 3.25Å; E49-L135 HydrophobicContact CB-CB 4.23Å; E49-L135 PolarHBondContact N-O 3.39Å; E49-L135 PolarHBondContact O-N 2.76Å; E49-L135 WeakPolarHBondContact OE2-CD2 3.46Å; E49-R137 IonicContact OE2-CZ 3.55Å; E49-R137 IonicContact OE2-NH1 2.66Å; E49-R137 PolarHBondContact OE2-NH1 2.94Å; E49-R137 IonicContact OE2-NH2 3.61Å
50T96.6Very high94.5Very high84 Ų8448.9 Ų48.952%0.51526%0.26SS..EExtended strand (participates in β ladder)trans-85.2150.117155.80000110.2R78 G133T50-R78 PolarHBondContact O-NH2 2.89Å; T50-G133 WeakPolarHBondContact CA-O 3.01Å
51F96.8Very high94Very high17 Ų1753.3 Ų53.38%0.07528%0.281CS..EExtended strand (participates in β ladder)trans-139.8151.5172.470.5-89.1000111.6D53 D77 A131 K132 G133 L135 Y146F51-D53 HydrophobicContact CD2-CB 4.22Å; F51-D53 WeakPolarHBondContact CD2-OD2 3.43Å; F51-D77 WeakPolarHBondContact CA-OD2 3.38Å; F51-A131 HydrophobicContact CE2-CB 4.06Å; F51-K132 WeakPolarHBondContact O-CA 3.27Å; F51-G133 PolarHBondContact N-O 2.71Å; F51-G133 PolarHBondContact O-N 2.63Å; F51-L135 HydrophobicContact CD1-CB 4.24Å; F51-Y146 HydrophobicContact CZ-CD1 4.1Å; F51-Y146 AromaticContact CZ-CG 3.88Å; F51-Y146 HydrophobicContact CZ-CG 3.88Å
52L97.6Very high92.9Very high49 Ų4953.5 Ų53.526%0.25728%0.284SS..EExtended strand (participates in β ladder)trans-134.3105.4168.4-179.367.9000107.6M76 D77 V130 A131 K132L52-M76 HydrophobicContact CB-CB 4.48Å; L52-M76 HydrophobicContact CD2-CB 3.92Å; L52-M76 HydrophobicContact CD2-CE 4.47Å; L52-M76 HydrophobicContact CD2-SD 4.43Å; L52-M76 HydrophobicContact CG-CB 3.96Å; L52-M76 HydrophobicContact CG-SD 4.21Å; L52-M76 WeakPolarHBondContact O-CB 3.43Å; L52-M76 PolarHBondContact O-N 2.88Å; L52-D77 HydrophobicContact CB-CB 4.2Å; L52-D77 PolarHBondContact N-OD2 3.46Å; L52-V130 HydrophobicContact CD1-CG1 3.43Å; L52-V130 VanDerWaalsContact CD1-CG1 3.43Å; L52-V130 HydrophobicContact CG-CG1 4.36Å; L52-A131 WeakPolarHBondContact CA-O 3.48Å; L52-K132 HydrophobicContact CD1-CB 3.75Å; L52-K132 HydrophobicContact CD1-CD 4.16Å; L52-K132 HydrophobicContact CD1-CG 3.95Å
53D97.4Very high91.5Very high14 Ų1462.9 Ų62.98%0.07533%0.327CS..EExtended strand (participates in β ladder)trans-115.1138.5-174.2-72.3-20.8000110.7F51 R73 R74 S75 V130 A131F51-D53 HydrophobicContact CD2-CB 4.22Å; F51-D53 WeakPolarHBondContact CD2-OD2 3.43Å; D53-R73 HydrophobicContact CB-CG 4.02Å; D53-R73 WeakPolarHBondContact OD2-CD 3.42Å; D53-R73 IonicContact OD2-NH1 2.88Å; D53-R74 CarbonylContact C-O 3.52Å; D53-R74 WeakPolarHBondContact CA-O 3.21Å; D53-S75 WeakPolarHBondContact OD1-CA 3.17Å; D53-V130 CarbonylContact O-C 3.54Å; D53-V130 WeakPolarHBondContact O-CA 3.35Å; D53-A131 PolarHBondContact N-O 3.24Å; D53-A131 PolarHBondContact O-N 3.32Å
54H97.4Very high90Very high1 Ų170.4 Ų70.41%0.00536%0.362CS..EExtended strand (participates in β ladder)trans-93.5118.3164.3-175.9-155000108.6M56 R73 R74 M76 E128 F129 I151 T157H54-M56 WeakPolarHBondContact CE1-CE 3.38Å; H54-M56 WeakPolarHBondContact ND1-CE 3.24Å; H54-R73 WeakPolarHBondContact O-CA 3.44Å; H54-R74 HydrophobicContact CB-CG 3.83Å; H54-R74 PolarHBondContact N-O 2.99Å; H54-R74 PolarHBondContact O-N 3.2Å; H54-M76 HydrophobicContact CB-CG 4.04Å; H54-M76 HydrophobicContact CB-SD 3.97Å; H54-E128 IonicContact CE1-OE2 3.81Å; H54-E128 PolarHBondContact CE1-OE2 2.99Å; H54-E128 IonicContact NE2-OE2 3.49Å; H54-E128 PolarHBondContact NE2-OE2 3.49Å; H54-F129 PolarHBondContact CD2-O 3.1Å; H54-I151 VanDerWaalsContact NE2-CD1 3.3Å; H54-I151 WeakPolarHBondContact NE2-CD1 3Å; H54-T157 HydrophobicContact CB-CG2 4.37Å
55E97.5Very high88.9Confident24 Ų2470.4 Ų70.411%0.11238%0.378CS..EExtended strand (participates in β ladder)trans-111.6134.7177.2-72.8-156.5-147.500111.3A72 R73 E128 F129E55-A72 WeakPolarHBondContact CA-O 3.33Å; E55-R73 HydrophobicContact CG-CB 4.12Å; E55-R73 HydrophobicContact CG-CG 3.9Å; E55-E128 CarbonylContact O-C 3.54Å; E55-E128 WeakPolarHBondContact O-CA 3.41Å; E55-E128 WeakPolarHBondContact O-CB 3.36Å; E55-F129 HydrophobicContact CB-CD1 4.34Å; E55-F129 HydrophobicContact CB-CD2 4.19Å; E55-F129 HydrophobicContact CB-CE1 3.84Å; E55-F129 HydrophobicContact CB-CE2 3.67Å; E55-F129 HydrophobicContact CB-CZ 3.47Å; E55-F129 VanDerWaalsContact CB-CZ 3.47Å; E55-F129 HydrophobicContact CG-CE2 4.11Å; E55-F129 HydrophobicContact CG-CZ 4.1Å; E55-F129 PolarHBondContact N-O 3.29Å; E55-F129 PolarHBondContact O-N 3.26Å
56M97.6Very high88.5Confident21 Ų2166.6 Ų66.610%0.10336%0.361CS..EExtended strand (participates in β ladder)trans-125.1132.6177-59.9170.9178.200109.2H54 F58 R71 A72 W83 T115 E128H54-M56 WeakPolarHBondContact CE1-CE 3.38Å; H54-M56 WeakPolarHBondContact ND1-CE 3.24Å; M56-F58 HydrophobicContact CB-CD2 4.22Å; M56-F58 HydrophobicContact CB-CE2 3.56Å; M56-F58 HydrophobicContact CB-CZ 4.3Å; M56-F58 HydrophobicContact CG-CE2 4.49Å; M56-F58 HydrophobicContact SD-CE2 4.09Å; M56-F58 HydrophobicContact SD-CZ 4.15Å; M56-R71 CarbonylContact O-C 3.53Å; M56-R71 WeakPolarHBondContact O-CA 3.46Å; M56-A72 HydrophobicContact CB-CB 4.38Å; M56-A72 PolarHBondContact N-O 2.9Å; M56-A72 PolarHBondContact O-N 3.07Å; M56-W83 HydrophobicContact CE-CH2 3.92Å; M56-W83 HydrophobicContact CE-CZ3 4.32Å; M56-W83 HydrophobicContact SD-CH2 4.26Å; M56-W83 HydrophobicContact SD-CZ3 4.12Å; M56-T115 HydrophobicContact CE-CG2 4.16Å; M56-T115 HydrophobicContact SD-CG2 3.48Å; M56-T115 WeakPolarHBondContact SD-CG2 3.43Å; M56-E128 HydrophobicContact CG-CB 4.07Å
57V96.9Very high88.5Confident8 Ų863.5 Ų63.55%0.04835%0.35CS..EExtended strand (participates in β ladder)trans-104.8126.1177.8-175.80000109.3V69 R71 D126 H127 F129V57-V69 HydrophobicContact CG1-CG1 3.6Å; V57-R71 HydrophobicContact CG2-CG 4.32Å; V57-D126 PolarHBondContact O-N 3.42Å; V57-H127 VanDerWaalsContact CG2-NE2 3.35Å; V57-H127 WeakPolarHBondContact CG2-NE2 3.48Å; V57-H127 PolarHBondContact N-O 2.84Å; V57-F129 HydrophobicContact CG2-CE1 4.32Å
58F96.7Very high88.6Confident0 Ų061.5 Ų61.50%034%0.34CS..EExtended strand (participates in β ladder)trans-114.7135.6-178.6-72.8-90.9000110.5M56 V69 L70 A72 T115 L118 M119 F123 R124 M125M56-F58 HydrophobicContact CB-CD2 4.22Å; M56-F58 HydrophobicContact CB-CE2 3.56Å; M56-F58 HydrophobicContact CB-CZ 4.3Å; M56-F58 HydrophobicContact CG-CE2 4.49Å; M56-F58 HydrophobicContact SD-CE2 4.09Å; M56-F58 HydrophobicContact SD-CZ 4.15Å; F58-V69 WeakPolarHBondContact O-CA 3.42Å; F58-L70 HydrophobicContact CB-CB 4.48Å; F58-L70 PolarHBondContact N-O 3.12Å; F58-L70 PolarHBondContact O-N 3.21Å; F58-A72 HydrophobicContact CD2-CB 4.17Å; F58-A72 HydrophobicContact CE2-CB 3.81Å; F58-T115 HydrophobicContact CE2-CG2 4.49Å; F58-T115 HydrophobicContact CZ-CG2 4.11Å; F58-L118 HydrophobicContact CB-CD1 4.46Å; F58-L118 HydrophobicContact CD1-CB 4.24Å; F58-L118 HydrophobicContact CD1-CD1 4.35Å; F58-L118 HydrophobicContact CD2-CD1 3.7Å; F58-L118 HydrophobicContact CE1-CB 4.37Å; F58-L118 HydrophobicContact CE2-CD1 3.94Å; F58-L118 HydrophobicContact CG-CD1 3.92Å; F58-L118 HydrophobicContact CZ-CD1 4.38Å; F58-M119 HydrophobicContact CE1-CE 4.25Å; F58-M119 HydrophobicContact CE1-CG 4.39Å; F58-F123 HydrophobicContact CB-CB 4.1Å; F58-F123 HydrophobicContact CB-CD1 3.92Å; F58-F123 HydrophobicContact CB-CG 4.38Å; F58-F123 HydrophobicContact CD1-CB 4.15Å; F58-R124 CarbonylContact C-O 3.51Å; F58-R124 WeakPolarHBondContact CA-O 3.41Å; F58-M125 HydrophobicContact CD1-CB 4.17Å; F58-M125 HydrophobicContact CE1-CB 3.87Å; F58-M125 HydrophobicContact CE1-CG 4.48Å; F58-M125 HydrophobicContact CZ-CB 4.36Å
59L95.3Very high88.6Confident26 Ų2663.2 Ų63.214%0.13635%0.35CS..EExtended strand (participates in β ladder)trans-117133.2178.6-58.8178.6000110.5P67 F68 V69 F123 R124 D126L59-P67 HydrophobicContact CB-CB 4.41Å; L59-P67 HydrophobicContact CD2-CB 4.23Å; L59-P67 HydrophobicContact CD2-CG 4.25Å; L59-F68 WeakPolarHBondContact CA-O 3.49Å; L59-V69 HydrophobicContact CD2-CB 4.12Å; L59-V69 HydrophobicContact CD2-CG1 3.94Å; L59-V69 HydrophobicContact CD2-CG2 3.53Å; L59-F123 WeakPolarHBondContact O-CA 3.45Å; L59-R124 PolarHBondContact N-O 2.78Å; L59-R124 PolarHBondContact O-N 2.62Å; L59-D126 HydrophobicContact CD1-CB 3.55Å; L59-D126 VanDerWaalsContact CD1-CG 3.47Å; L59-D126 WeakPolarHBondContact CD1-OD1 3.24Å; L59-D126 HydrophobicContact CG-CB 3.7Å
60L93.3Very high88.7Confident60 Ų6061 Ų6131%0.31434%0.34SS..EExtended strand (participates in β ladder)trans-108.8110.3164.2-175.868.5000108.3G62 F68 G122 F123L60-G62 PolarHBondContact O-N 3.3Å; L60-F68 HydrophobicContact CB-CB 4.33Å; L60-F68 PolarHBondContact N-O 3.46Å; L60-F68 PolarHBondContact O-N 2.87Å; L60-G122 WeakPolarHBondContact CD1-O 3.46Å; L60-F123 HydrophobicContact CB-CD1 3.66Å; L60-F123 HydrophobicContact CB-CD2 4.3Å; L60-F123 HydrophobicContact CB-CE1 3.48Å; L60-F123 VanDerWaalsContact CB-CE1 3.48Å; L60-F123 HydrophobicContact CB-CE2 4.15Å; L60-F123 HydrophobicContact CB-CG 4.06Å; L60-F123 HydrophobicContact CB-CZ 3.73Å; L60-F123 HydrophobicContact CD1-CD2 4.46Å; L60-F123 HydrophobicContact CD2-CE2 4.01Å; L60-F123 HydrophobicContact CD2-CZ 3.98Å; L60-F123 HydrophobicContact CG-CZ 4.43Å
61K85.4Confident88.7Confident173 Ų17360.5 Ų60.575%0.75233%0.329SS*.  trans-80.7103.9176.1-66-173.7-179.9-176.50108.8
62G73.4Confident88.8Confident53 Ų5359.7 Ų59.755%0.54633%0.325SS..  trans-85.8-171.9170.500000112.6L60 Q64L60-G62 PolarHBondContact O-N 3.3Å; G62-Q64 PolarHBondContact O-N 2.94Å
63Q66.5Low88.8Confident213 Ų21360 Ų60100%0.99532%0.323SS*.SBendtrans-73.4-11.9170.4-68.7-177.6-2.700113.3
64Q63.6Low88.7Confident160 Ų16063.4 Ų63.475%0.74834%0.335SS*.SBendtrans-81.3158.2178.1-64.8-172.40.100112G62 S66G62-Q64 PolarHBondContact O-N 2.94Å; Q64-S66 VanDerWaalsContact C-N 3.31Å; Q64-S66 PolarHBondContact O-N 3.3Å
65A67.9Low88.6Confident116 Ų11664.5 Ų64.596%0.95934%0.343SS*.SBendtrans-66.3-24.7-174.200000114.7
66S78.6Confident88.5Confident47 Ų4766.3 Ų66.333%0.32935%0.352SS..SBendtrans-109.5130.7178.3590000111.5Q64Q64-S66 VanDerWaalsContact C-N 3.31Å; Q64-S66 PolarHBondContact O-N 3.3Å
67P85.3Confident88.3Confident60 Ų6068.7 Ų68.739%0.3937%0.365SS..  trans-67.1146.5176.329.5-34000111L59L59-P67 HydrophobicContact CB-CB 4.41Å; L59-P67 HydrophobicContact CD2-CB 4.23Å; L59-P67 HydrophobicContact CD2-CG 4.25Å
68F89.9Confident87.9Confident87 Ų8773.6 Ų73.638%0.38238%0.383SS..EExtended strand (participates in β ladder)trans-81126.3171.1-177.1-94.6000109L59 L60 L70 Y87 F123L59-F68 WeakPolarHBondContact CA-O 3.49Å; L60-F68 HydrophobicContact CB-CB 4.33Å; L60-F68 PolarHBondContact N-O 3.46Å; L60-F68 PolarHBondContact O-N 2.87Å; F68-L70 HydrophobicContact CD1-CG 4.27Å; F68-L70 HydrophobicContact CE1-CD1 4.05Å; F68-L70 HydrophobicContact CE1-CD2 3.7Å; F68-L70 HydrophobicContact CE1-CG 3.68Å; F68-L70 HydrophobicContact CZ-CD2 4.14Å; F68-Y87 AromaticContact CD2-CE2 3.99Å; F68-Y87 HydrophobicContact CD2-CE2 3.99Å; F68-Y87 HydrophobicContact CE1-CD2 4.31Å; F68-Y87 AromaticContact CE2-CD2 3.71Å; F68-Y87 HydrophobicContact CE2-CD2 3.71Å; F68-Y87 AromaticContact CE2-CE2 3.2Å; F68-Y87 HydrophobicContact CE2-CE2 3.2Å; F68-Y87 AromaticContact CE2-CZ 3.87Å; F68-Y87 AromaticContact CZ-CD2 3.5Å; F68-Y87 HydrophobicContact CZ-CD2 3.5Å; F68-Y87 AromaticContact CZ-CE2 3.55Å; F68-Y87 HydrophobicContact CZ-CE2 3.55Å; F68-Y87 HydrophobicContact CZ-CG 4.34Å; F68-F123 AromaticContact CD1-CE1 3.69Å; F68-F123 HydrophobicContact CD1-CE1 3.69Å; F68-F123 AromaticContact CD1-CZ 3.65Å; F68-F123 HydrophobicContact CD1-CZ 3.65Å; F68-F123 HydrophobicContact CE1-CE1 4.17Å; F68-F123 AromaticContact CE1-CZ 3.88Å; F68-F123 HydrophobicContact CE1-CZ 3.88Å
69V92.8Very high87.5Confident54 Ų5479 Ų7933%0.32743%0.427SS..EExtended strand (participates in β ladder)trans-112.7130.1-170.3-169.30000110.7V57 F58 L59V57-V69 HydrophobicContact CG1-CG1 3.6Å; F58-V69 WeakPolarHBondContact O-CA 3.42Å; L59-V69 HydrophobicContact CD2-CB 4.12Å; L59-V69 HydrophobicContact CD2-CG1 3.94Å; L59-V69 HydrophobicContact CD2-CG2 3.53Å
70L96.1Very high87.1Confident15 Ų1581.4 Ų81.48%0.07946%0.459CS..EExtended strand (participates in β ladder)trans-121.5147.7168.9-67.7178000109.8F58 F68 L85 Y87 L118 F123F58-L70 HydrophobicContact CB-CB 4.48Å; F58-L70 PolarHBondContact N-O 3.12Å; F58-L70 PolarHBondContact O-N 3.21Å; F68-L70 HydrophobicContact CD1-CG 4.27Å; F68-L70 HydrophobicContact CE1-CD1 4.05Å; F68-L70 HydrophobicContact CE1-CD2 3.7Å; F68-L70 HydrophobicContact CE1-CG 3.68Å; F68-L70 HydrophobicContact CZ-CD2 4.14Å; L70-L85 HydrophobicContact CB-CD1 3.97Å; L70-L85 HydrophobicContact CD1-CD1 4.13Å; L70-L85 HydrophobicContact CD1-CD2 4.46Å; L70-L85 HydrophobicContact CD2-CD1 4.47Å; L70-L85 HydrophobicContact CG-CD1 4.42Å; L70-Y87 HydrophobicContact CD2-CD2 4.09Å; L70-Y87 HydrophobicContact CD2-CG 4.36Å; L70-L118 HydrophobicContact CD1-CD2 3.76Å; L70-F123 HydrophobicContact CB-CE1 4.22Å; L70-F123 HydrophobicContact CD1-CD1 4.28Å; L70-F123 HydrophobicContact CD1-CE1 3.49Å; L70-F123 VanDerWaalsContact CD1-CE1 3.49Å; L70-F123 HydrophobicContact CD1-CE2 4.01Å; L70-F123 HydrophobicContact CD1-CZ 3.34Å; L70-F123 HydrophobicContact CG-CE1 3.7Å; L70-F123 HydrophobicContact CG-CZ 3.99Å
71R97.1Very high87.1Confident72 Ų7280.2 Ų80.227%0.27246%0.457SS..EExtended strand (participates in β ladder)trans-114.6124.8172.5-59.9-171.9-177.4-178.9-1.4109.2M56 V57 R86M56-R71 CarbonylContact O-C 3.53Å; M56-R71 WeakPolarHBondContact O-CA 3.46Å; V57-R71 HydrophobicContact CG2-CG 4.32Å; R71-R86 HydrophobicContact CB-CB 4.38Å; R71-R86 PolarHBondContact N-O 3.02Å; R71-R86 PolarHBondContact O-N 2.88Å
72A97.8Very high87.5Confident0 Ų075.1 Ų75.10%044%0.442CS..EExtended strand (participates in β ladder)trans-99.6135.8168.300000108.5E55 M56 F58 W83 H84 L114 L118E55-A72 WeakPolarHBondContact CA-O 3.33Å; M56-A72 HydrophobicContact CB-CB 4.38Å; M56-A72 PolarHBondContact N-O 2.9Å; M56-A72 PolarHBondContact O-N 3.07Å; F58-A72 HydrophobicContact CD2-CB 4.17Å; F58-A72 HydrophobicContact CE2-CB 3.81Å; A72-W83 HydrophobicContact CB-CE3 4.4Å; A72-W83 HydrophobicContact CB-CZ3 4.38Å; A72-H84 CarbonylContact C-O 3.58Å; A72-H84 VanDerWaalsContact CA-O 3.32Å; A72-H84 WeakPolarHBondContact CA-O 3.49Å; A72-L114 HydrophobicContact CB-CD2 3.65Å; A72-L114 HydrophobicContact CB-CG 4.37Å; A72-L118 HydrophobicContact CB-CD1 4.44Å
73R97.2Very high88.6Confident57 Ų5773.8 Ų73.822%0.21542%0.42CS..EExtended strand (participates in β ladder)trans-133.8140.2179179.4-173.566.2168.7-4110.2D53 H54 E55 W83 H84D53-R73 HydrophobicContact CB-CG 4.02Å; D53-R73 WeakPolarHBondContact OD2-CD 3.42Å; D53-R73 IonicContact OD2-NH1 2.88Å; H54-R73 WeakPolarHBondContact O-CA 3.44Å; E55-R73 HydrophobicContact CG-CB 4.12Å; E55-R73 HydrophobicContact CG-CG 3.9Å; R73-W83 CarbonylContact O-C 3.58Å; R73-H84 HydrophobicContact CB-CB 4.32Å; R73-H84 PolarHBondContact N-O 3.46Å; R73-H84 PolarHBondContact O-N 2.93Å
74R96.1Very high90.1Very high84 Ų8466 Ų6632%0.31738%0.384SS..EExtended strand (participates in β ladder)trans-131.9146.1165.162.1167.1-175.9175.91.5110.4D53 H54 W83D53-R74 CarbonylContact C-O 3.52Å; D53-R74 WeakPolarHBondContact CA-O 3.21Å; H54-R74 HydrophobicContact CB-CG 3.83Å; H54-R74 PolarHBondContact N-O 2.99Å; H54-R74 PolarHBondContact O-N 3.2Å; R74-W83 HydrophobicContact CB-CD2 3.83Å; R74-W83 HydrophobicContact CB-CE3 3.94Å; R74-W83 HydrophobicContact CB-CG 4.34Å; R74-W83 HydrophobicContact CB-CH2 4.43Å; R74-W83 HydrophobicContact CB-CZ2 4.33Å; R74-W83 HydrophobicContact CB-CZ3 4.22Å; R74-W83 HydrophobicContact CG-CD2 4.47Å; R74-W83 HydrophobicContact CG-CE3 4.34Å; R74-W83 HydrophobicContact CG-CH2 4.03Å; R74-W83 HydrophobicContact CG-CZ2 4.16Å; R74-W83 HydrophobicContact CG-CZ3 4.1Å
75S96.2Very high91.7Very high25 Ų2559.8 Ų59.818%0.17536%0.355CS..EExtended strand (participates in β ladder)trans-75.6139.1167.2156.20000109.5D53 D77 R78D53-S75 WeakPolarHBondContact OD1-CA 3.17Å; S75-D77 PolarHBondContact OG-N 2.85Å; S75-D77 PolarHBondContact OG-OD1 3.35Å; S75-R78 WeakPolarHBondContact OG-CB 3.34Å; S75-R78 PolarHBondContact OG-N 3.23Å
76M94.9Very high93Very high62 Ų6256.2 Ų56.231%0.30532%0.317SS..SBendtrans-99.5-19.2174.9-61.8-179.460.200112.3L52 H54 V130 T157L52-M76 HydrophobicContact CB-CB 4.48Å; L52-M76 HydrophobicContact CD2-CB 3.92Å; L52-M76 HydrophobicContact CD2-CE 4.47Å; L52-M76 HydrophobicContact CD2-SD 4.43Å; L52-M76 HydrophobicContact CG-CB 3.96Å; L52-M76 HydrophobicContact CG-SD 4.21Å; L52-M76 WeakPolarHBondContact O-CB 3.43Å; L52-M76 PolarHBondContact O-N 2.88Å; H54-M76 HydrophobicContact CB-CG 4.04Å; H54-M76 HydrophobicContact CB-SD 3.97Å; M76-V130 HydrophobicContact SD-CG1 4.36Å; M76-V130 HydrophobicContact SD-CG2 4.12Å; M76-T157 HydrophobicContact CE-CG2 4.27Å; M76-T157 VanDerWaalsContact CE-OG1 3.27Å; M76-T157 WeakPolarHBondContact CE-OG1 3.46Å; M76-T157 HydrophobicContact SD-CG2 4.28Å
77D92.9Very high93.8Very high70 Ų7057.5 Ų57.537%0.37432%0.315SS..SBendtrans-94-11.9-179.360.6-7.7000113.8F51 L52 S75F51-D77 WeakPolarHBondContact CA-OD2 3.38Å; L52-D77 HydrophobicContact CB-CB 4.2Å; L52-D77 PolarHBondContact N-OD2 3.46Å; S75-D77 PolarHBondContact OG-N 2.85Å; S75-D77 PolarHBondContact OG-OD1 3.35Å
78R89.5Confident94Very high112 Ų11255.9 Ų55.942%0.42330%0.303SS..SBendtrans-118.699.8179.1-60.8171.9-153.2-152.4-2.9110.8E49 T50 S75 G80 A81E49-R78 VanDerWaalsContact CD-NH2 3.33Å; E49-R78 IonicContact OE1-CZ 3.2Å; E49-R78 IonicContact OE1-NH1 3.93Å; E49-R78 PolarHBondContact OE1-NH1 2.86Å; E49-R78 IonicContact OE1-NH2 3.36Å; E49-R78 PolarHBondContact OE1-NH2 2.94Å; T50-R78 PolarHBondContact O-NH2 2.89Å; S75-R78 WeakPolarHBondContact OG-CB 3.34Å; S75-R78 PolarHBondContact OG-N 3.23Å; R78-G80 PolarHBondContact O-N 2.92Å; R78-A81 HydrophobicContact CB-CB 3.87Å; R78-A81 WeakPolarHBondContact O-CB 3.33Å; R78-A81 PolarHBondContact O-N 3.01Å; R78-A81 VanDerWaalsContact O-N 3.14Å
79A87.1Confident94Very high113 Ų11352 Ų5293%0.93429%0.288SS*.THydrogen-bonded Turntrans-56.8130172.500000110.6A81A79-A81 VanDerWaalsContact C-N 3.3Å; A79-A81 PolarHBondContact O-N 3.41Å
80G87.7Confident93.7Very high77 Ų7755.6 Ų55.679%0.79430%0.301SS*.THydrogen-bonded Turntrans78.24.5179.900000115.4R78R78-G80 PolarHBondContact O-N 2.92Å
81A92.2Very high93.3Very high35 Ų3555.7 Ų55.729%0.28930%0.303SS..PPolyproline II helixtrans-62.5136.7169.100000110.2R78 A79R78-A81 HydrophobicContact CB-CB 3.87Å; R78-A81 WeakPolarHBondContact O-CB 3.33Å; R78-A81 PolarHBondContact O-N 3.01Å; R78-A81 VanDerWaalsContact O-N 3.14Å; A79-A81 VanDerWaalsContact C-N 3.3Å; A79-A81 PolarHBondContact O-N 3.41Å
82P95Very high92.8Very high65 Ų6556.5 Ų56.542%0.42231%0.309SS..PPolyproline II helixtrans-66.8157179.529.6-35.3000110.7H84 A109P82-H84 PolarHBondContact O-CD2 2.82Å; P82-A109 HydrophobicContact CB-CB 4.11Å; P82-A109 HydrophobicContact CG-CB 4.04Å
83W96.9Very high91.5Very high25 Ų2563.7 Ų63.710%0.09535%0.345CS..EExtended strand (participates in β ladder)trans-68.7156165.8-76.573.6000109.8M56 A72 R73 R74 A109 T110 L114 T115M56-W83 HydrophobicContact CE-CH2 3.92Å; M56-W83 HydrophobicContact CE-CZ3 4.32Å; M56-W83 HydrophobicContact SD-CH2 4.26Å; M56-W83 HydrophobicContact SD-CZ3 4.12Å; A72-W83 HydrophobicContact CB-CE3 4.4Å; A72-W83 HydrophobicContact CB-CZ3 4.38Å; R73-W83 CarbonylContact O-C 3.58Å; R74-W83 HydrophobicContact CB-CD2 3.83Å; R74-W83 HydrophobicContact CB-CE3 3.94Å; R74-W83 HydrophobicContact CB-CG 4.34Å; R74-W83 HydrophobicContact CB-CH2 4.43Å; R74-W83 HydrophobicContact CB-CZ2 4.33Å; R74-W83 HydrophobicContact CB-CZ3 4.22Å; R74-W83 HydrophobicContact CG-CD2 4.47Å; R74-W83 HydrophobicContact CG-CE3 4.34Å; R74-W83 HydrophobicContact CG-CH2 4.03Å; R74-W83 HydrophobicContact CG-CZ2 4.16Å; R74-W83 HydrophobicContact CG-CZ3 4.1Å; W83-A109 CarbonylContact O-C 3.57Å; W83-A109 VanDerWaalsContact O-CA 3.31Å; W83-A109 WeakPolarHBondContact O-CA 3.2Å; W83-T110 VanDerWaalsContact CB-OG1 3.29Å; W83-T110 WeakPolarHBondContact CB-OG1 3.48Å; W83-T110 PolarHBondContact N-O 2.96Å; W83-T110 PolarHBondContact O-N 3.47Å; W83-T110 PolarHBondContact O-OG1 3.06Å; W83-L114 HydrophobicContact CB-CB 4.33Å; W83-L114 HydrophobicContact CB-CD2 4.13Å; W83-L114 HydrophobicContact CE3-CD2 4.25Å; W83-T115 HydrophobicContact CH2-CG2 3.66Å; W83-T115 HydrophobicContact CZ2-CG2 4.49Å; W83-T115 HydrophobicContact CZ3-CG2 3.7Å
84H96.9Very high89.9Confident51 Ų5164.6 Ų64.624%0.23637%0.372CS..EExtended strand (participates in β ladder)trans-123.2129.9175.4-80.1-99000110A72 R73 P82 D107 I108A72-H84 CarbonylContact C-O 3.58Å; A72-H84 VanDerWaalsContact CA-O 3.32Å; A72-H84 WeakPolarHBondContact CA-O 3.49Å; R73-H84 HydrophobicContact CB-CB 4.32Å; R73-H84 PolarHBondContact N-O 3.46Å; R73-H84 PolarHBondContact O-N 2.93Å; P82-H84 PolarHBondContact O-CD2 2.82Å; H84-D107 IonicContact CE1-OD1 3.99Å; H84-D107 IonicContact CG-OD1 3.99Å; H84-D107 IonicContact ND1-OD1 2.96Å; H84-D107 PolarHBondContact ND1-OD1 3Å; H84-I108 CarbonylContact C-O 3.58Å; H84-I108 VanDerWaalsContact CA-O 3.28Å; H84-I108 WeakPolarHBondContact CA-O 3.39Å
85L97.4Very high88.6Confident28 Ų2863.5 Ų63.515%0.14737%0.373CS..EExtended strand (participates in β ladder)trans-104.1125.2168.3-176.562000108.9L70 D107 I108 T110 L114 L118L70-L85 HydrophobicContact CB-CD1 3.97Å; L70-L85 HydrophobicContact CD1-CD1 4.13Å; L70-L85 HydrophobicContact CD1-CD2 4.46Å; L70-L85 HydrophobicContact CD2-CD1 4.47Å; L70-L85 HydrophobicContact CG-CD1 4.42Å; L85-D107 WeakPolarHBondContact O-CA 3.42Å; L85-I108 HydrophobicContact CB-CG1 4.06Å; L85-I108 PolarHBondContact N-O 2.86Å; L85-I108 PolarHBondContact O-N 3.19Å; L85-T110 HydrophobicContact CB-CG2 3.86Å; L85-L114 HydrophobicContact CB-CD1 4.12Å; L85-L114 HydrophobicContact CB-CD2 4.03Å; L85-L114 HydrophobicContact CD1-CD1 4.18Å; L85-L114 HydrophobicContact CD1-CD2 4.34Å; L85-L114 HydrophobicContact CD2-CD1 4.14Å; L85-L114 HydrophobicContact CG-CD1 4.38Å; L85-L118 HydrophobicContact CD1-CD1 4.04Å; L85-L118 HydrophobicContact CD1-CD2 4.37Å
86R95.8Very high87.3Confident41 Ų4172 Ų7216%0.15541%0.406CS..EExtended strand (participates in β ladder)trans-123.7128.4-178.9-179.9178.8-89.2-128.1-14111.3E20 R71 L88 V106 D107E20-R86 IonicContact OE1-NH1 2.67Å; E20-R86 PolarHBondContact OE1-NH1 2.89Å; R71-R86 HydrophobicContact CB-CB 4.38Å; R71-R86 PolarHBondContact N-O 3.02Å; R71-R86 PolarHBondContact O-N 2.88Å; R86-L88 HydrophobicContact CG-CD2 4.3Å; R86-L88 HydrophobicContact CG-CG 4.16Å; R86-V106 CarbonylContact C-O 3.49Å; R86-V106 VanDerWaalsContact CA-O 3.23Å; R86-V106 WeakPolarHBondContact CA-O 3.32Å; R86-D107 IonicContact CZ-OD2 2.74Å; R86-D107 VanDerWaalsContact CZ-OD2 3.22Å; R86-D107 IonicContact NE-OD2 3.15Å; R86-D107 PolarHBondContact NE-OD2 3.02Å; R86-D107 IonicContact NH2-OD2 2.86Å; R86-D107 PolarHBondContact NH2-OD2 2.95Å
87Y94.1Very high86.2Confident75 Ų7575.4 Ų75.429%0.29443%0.426SS..EExtended strand (participates in β ladder)trans-110.3135.6168.5169.4-107.5000109.7F68 L70 C105 V106F68-Y87 AromaticContact CD2-CE2 3.99Å; F68-Y87 HydrophobicContact CD2-CE2 3.99Å; F68-Y87 HydrophobicContact CE1-CD2 4.31Å; F68-Y87 AromaticContact CE2-CD2 3.71Å; F68-Y87 HydrophobicContact CE2-CD2 3.71Å; F68-Y87 AromaticContact CE2-CE2 3.2Å; F68-Y87 HydrophobicContact CE2-CE2 3.2Å; F68-Y87 AromaticContact CE2-CZ 3.87Å; F68-Y87 AromaticContact CZ-CD2 3.5Å; F68-Y87 HydrophobicContact CZ-CD2 3.5Å; F68-Y87 AromaticContact CZ-CE2 3.55Å; F68-Y87 HydrophobicContact CZ-CE2 3.55Å; F68-Y87 HydrophobicContact CZ-CG 4.34Å; L70-Y87 HydrophobicContact CD2-CD2 4.09Å; L70-Y87 HydrophobicContact CD2-CG 4.36Å; Y87-C105 WeakPolarHBondContact O-CA 3.43Å; Y87-V106 HydrophobicContact CD1-CG2 4.46Å; Y87-V106 PolarHBondContact N-O 2.92Å; Y87-V106 PolarHBondContact O-N 2.93Å
88L90.9Very high85.7Confident26 Ų2675 Ų7514%0.13642%0.419CS..EExtended strand (participates in β ladder)trans-125.8116.3176.7-64.4168.4000108E20 R86 C105E20-L88 WeakPolarHBondContact OE2-CD2 3.21Å; R86-L88 HydrophobicContact CG-CD2 4.3Å; R86-L88 HydrophobicContact CG-CG 4.16Å; L88-C105 HydrophobicContact CD2-CB 4.13Å
89G88.9Confident85.6Confident6 Ų672.8 Ų72.86%0.06241%0.413CS..PPolyproline II helixtrans-70.6173.5179.200000112.9R103 N104G89-R103 WeakPolarHBondContact O-CB 3.49Å; G89-R103 WeakPolarHBondContact O-CD 3.16Å; G89-N104 PolarHBondContact N-O 3Å
90Q87.1Confident85.7Confident129 Ų12967.4 Ų67.460%0.60337%0.369SS*.PPolyproline II helixtrans-62.4136.7172.2-68.3-169.7-11.400110.3E92 M208Q90-E92 PolarHBondContact O-N 3.1Å; Q90-M208 HydrophobicContact CG-CE 4.14Å
91P87.7Confident85.9Confident17 Ų1763.7 Ų63.711%0.1133%0.331CS..PPolyproline II helixtrans-57.9136.3173.2-27.638.3000111.8M93 L101 V102 P204P91-M93 PolarHBondContact O-N 3.13Å; P91-M93 VanDerWaalsContact O-N 3.08Å; P91-L101 HydrophobicContact CB-CD1 4.05Å; P91-L101 HydrophobicContact CB-CD2 4.32Å; P91-L101 HydrophobicContact CB-CG 4.04Å; P91-L101 HydrophobicContact CG-CD1 3.86Å; P91-L101 HydrophobicContact CG-CD2 4.24Å; P91-L101 HydrophobicContact CG-CG 4.23Å; P91-V102 WeakPolarHBondContact CA-O 3.13Å; P91-P204 HydrophobicContact CB-CB 4.04Å; P91-P204 HydrophobicContact CB-CG 3.69Å; P91-P204 HydrophobicContact CG-CB 3.81Å; P91-P204 HydrophobicContact CG-CG 3.96Å
92E85.9Confident85.9Confident88 Ų8862.2 Ų62.241%0.41132%0.318SS..  trans-62.5113.6174.3-67.3-172171.100109.6M19 Q90 R98 V102M19-E92 HydrophobicContact CE-CG 4.15Å; M19-E92 WeakPolarHBondContact CE-OE1 3.36Å; Q90-E92 PolarHBondContact O-N 3.1Å; E92-R98 IonicContact OE2-CZ 2.99Å; E92-R98 IonicContact OE2-NH1 3.89Å; E92-R98 PolarHBondContact OE2-NH1 2.94Å; E92-R98 IonicContact OE2-NH2 3.05Å; E92-V102 PolarHBondContact N-O 3.4Å
93M71.9Confident85.7Confident151 Ų15159.9 Ų59.974%0.74430%0.301SS*.  trans-90.3130.1175.9-56.4-161.89000109.1P91P91-M93 PolarHBondContact O-N 3.13Å; P91-M93 VanDerWaalsContact O-N 3.08Å
94G62.7Low85.5Confident77 Ų7762.3 Ų62.379%0.79432%0.316SS*.SBendtrans139.5-26.1166.400000115.7K96G94-K96 PolarHBondContact O-N 2.99Å
95D68.4Low85.2Confident60 Ų6060.2 Ų60.232%0.32131%0.307SS..  trans-97.499.3-178.1-161.3-16.5000111.7N97 R98D95-N97 PolarHBondContact O-N 2.74Å; D95-N97 WeakPolarHBondContact OD1-CB 3.48Å; D95-N97 PolarHBondContact OD1-N 2.85Å; D95-R98 HydrophobicContact CB-CB 4.47Å; D95-R98 HydrophobicContact CB-CG 4.04Å; D95-R98 WeakPolarHBondContact OD2-CG 3.4Å; D95-R98 IonicContact OD2-CZ 2.73Å; D95-R98 IonicContact OD2-NE 3.53Å; D95-R98 PolarHBondContact OD2-NE 2.85Å; D95-R98 IonicContact OD2-NH2 2.98Å
96K69.4Low85Confident203 Ų20361.1 Ų61.188%0.88331%0.313SS*.SBendtrans-70.6-18.8176-69.3-174.51791800112.8G94G94-K96 PolarHBondContact O-N 2.99Å
97N72.8Confident84.9Confident134 Ų13461.6 Ų61.672%0.71732%0.319SS*.SBendtrans-82.4-21.5-178-66-19.3000111.7D95 H99D95-N97 PolarHBondContact O-N 2.74Å; D95-N97 WeakPolarHBondContact OD1-CB 3.48Å; D95-N97 PolarHBondContact OD1-N 2.85Å; N97-H99 PolarHBondContact O-N 2.85Å
98R80.5Confident84.9Confident61 Ų6161.6 Ų61.623%0.2332%0.324CS..  trans-70.5126.5177.2-72.9-176.5-155.6179.13.9112E92 D95E92-R98 IonicContact OE2-CZ 2.99Å; E92-R98 IonicContact OE2-NH1 3.89Å; E92-R98 PolarHBondContact OE2-NH1 2.94Å; E92-R98 IonicContact OE2-NH2 3.05Å; D95-R98 HydrophobicContact CB-CB 4.47Å; D95-R98 HydrophobicContact CB-CG 4.04Å; D95-R98 WeakPolarHBondContact OD2-CG 3.4Å; D95-R98 IonicContact OD2-CZ 2.73Å; D95-R98 IonicContact OD2-NE 3.53Å; D95-R98 PolarHBondContact OD2-NE 2.85Å; D95-R98 IonicContact OD2-NH2 2.98Å
99H87.4Confident85.2Confident66 Ų6663.4 Ų63.431%0.30634%0.342SS..SBendtrans-77.3-27.3-179.3-60.3-51.5000112.8L23 N97 S183 D184 K187 K201L23-H99 WeakPolarHBondContact CD2-O 3.31Å; N97-H99 PolarHBondContact O-N 2.85Å; H99-S183 WeakPolarHBondContact CB-OG 3.32Å; H99-S183 PolarHBondContact N-OG 3.41Å; H99-S183 VanDerWaalsContact N-OG 3.1Å; H99-D184 IonicContact CD2-OD1 3.44Å; H99-D184 PolarHBondContact CD2-OD1 3.42Å; H99-D184 IonicContact NE2-OD1 3.32Å; H99-K187 HydrophobicContact CB-CB 4.06Å; H99-K187 HydrophobicContact CB-CD 4.03Å; H99-K187 WeakPolarHBondContact CD2-CD 3.43Å; H99-K187 PolarHBondContact CE1-NZ 3.13Å; H99-K187 VanDerWaalsContact CG-CD 3.4Å; H99-K187 WeakPolarHBondContact NE2-CD 3.4Å; H99-K187 PolarHBondContact NE2-NZ 2.75Å; H99-K201 WeakPolarHBondContact O-CB 3.29Å
100A90.8Very high85.5Confident0 Ų064.6 Ų64.60%035%0.348CS..SBendtrans-103.7156.7177.900000113.6Y21 L23 S183 M186 K201Y21-A100 HydrophobicContact CD1-CB 4.41Å; L23-A100 HydrophobicContact CD2-CB 4.13Å; L23-A100 HydrophobicContact CG-CB 4.3Å; A100-S183 PolarHBondContact N-OG 2.81Å; A100-S183 VanDerWaalsContact N-OG 3.13Å; A100-M186 HydrophobicContact CB-CE 4.42Å; A100-M186 HydrophobicContact CB-SD 4.4Å; A100-K201 WeakPolarHBondContact O-CD 3.38Å; A100-K201 PolarHBondContact O-NZ 2.97Å
101L91.8Very high85.8Confident0 Ų062.1 Ų62.10%035%0.345CS..EExtended strand (participates in β ladder)trans-70.4134.6161.7-178.4146.7000108.2Y21 L22 P91 R103 K201 L207Y21-L101 CarbonylContact C-O 3.57Å; Y21-L101 VanDerWaalsContact CA-O 3.25Å; Y21-L101 WeakPolarHBondContact CA-O 3.34Å; L22-L101 HydrophobicContact CB-CB 4.37Å; L22-L101 HydrophobicContact CB-CD2 4.36Å; L22-L101 PolarHBondContact N-O 2.97Å; L22-L101 PolarHBondContact O-N 2.88Å; P91-L101 HydrophobicContact CB-CD1 4.05Å; P91-L101 HydrophobicContact CB-CD2 4.32Å; P91-L101 HydrophobicContact CB-CG 4.04Å; P91-L101 HydrophobicContact CG-CD1 3.86Å; P91-L101 HydrophobicContact CG-CD2 4.24Å; P91-L101 HydrophobicContact CG-CG 4.23Å; L101-R103 HydrophobicContact CD2-CB 4.29Å; L101-R103 HydrophobicContact CD2-CG 3.86Å; L101-K201 HydrophobicContact CB-CG 4.08Å; L101-L207 HydrophobicContact CD1-CD1 3.61Å
102V91.7Very high86.1Confident3 Ų368.8 Ų68.82%0.01838%0.375CS..EExtended strand (participates in β ladder)trans-126.4128.8-179.5-177.10000108.9M19 E20 Y21 P91 E92M19-V102 HydrophobicContact CB-CG1 4.07Å; M19-V102 HydrophobicContact CE-CG1 3.57Å; M19-V102 HydrophobicContact CG-CG1 4.45Å; E20-V102 WeakPolarHBondContact O-CA 3.44Å; Y21-V102 HydrophobicContact CD1-CG2 3.59Å; Y21-V102 HydrophobicContact CE1-CG1 4.44Å; Y21-V102 HydrophobicContact CE1-CG2 3.71Å; Y21-V102 HydrophobicContact CG-CG2 4.24Å; P91-V102 WeakPolarHBondContact CA-O 3.13Å; E92-V102 PolarHBondContact N-O 3.4Å
103R91.1Very high86.6Confident17 Ų1768.6 Ų68.66%0.06438%0.377CS..EExtended strand (participates in β ladder)trans-152.6156178.861-178.7171.6-167.7-2.9111.9M19 E20 G89 L101 C105M19-R103 CarbonylContact C-O 3.59Å; M19-R103 WeakPolarHBondContact CA-O 3.47Å; E20-R103 HydrophobicContact CB-CG 4.37Å; E20-R103 PolarHBondContact N-O 3.48Å; E20-R103 PolarHBondContact O-N 3.39Å; E20-R103 VanDerWaalsContact O-N 3.08Å; E20-R103 IonicContact OE2-CZ 3.54Å; E20-R103 VanDerWaalsContact OE2-CZ 3.24Å; E20-R103 IonicContact OE2-NE 3.22Å; E20-R103 PolarHBondContact OE2-NE 3.03Å; E20-R103 IonicContact OE2-NH2 2.59Å; E20-R103 PolarHBondContact OE2-NH2 3.37Å; G89-R103 WeakPolarHBondContact O-CB 3.49Å; G89-R103 WeakPolarHBondContact O-CD 3.16Å; L101-R103 HydrophobicContact CD2-CB 4.29Å; L101-R103 HydrophobicContact CD2-CG 3.86Å; R103-C105 PolarHBondContact O-N 3.24Å
104N91.7Very high87.7Confident75 Ų7561.7 Ų61.740%0.40134%0.343SS..EExtended strand (participates in β ladder)trans-57.8137.3169.8-77.6-45.2000110.5M19 G89M19-N104 PolarHBondContact SD-OD1 3.1Å; G89-N104 PolarHBondContact N-O 3Å
105C92.3Very high89.3Confident7 Ų759.1 Ų59.15%0.04731%0.311CS..EExtended strand (participates in β ladder)trans-136.7129.3178.2178.20000110.6M18 E20 Y87 L88 R103M18-C105 PolarHBondContact O-N 3.38Å; E20-C105 HydrophobicContact CB-CB 3.61Å; Y87-C105 WeakPolarHBondContact O-CA 3.43Å; L88-C105 HydrophobicContact CD2-CB 4.13Å; R103-C105 PolarHBondContact O-N 3.24Å
106V93.3Very high90.6Very high47 Ų4760.8 Ų60.829%0.28532%0.32SS..EExtended strand (participates in β ladder)trans-124.6128.1168.8-179.50000107.2R86 Y87 I108R86-V106 CarbonylContact C-O 3.49Å; R86-V106 VanDerWaalsContact CA-O 3.23Å; R86-V106 WeakPolarHBondContact CA-O 3.32Å; Y87-V106 HydrophobicContact CD1-CG2 4.46Å; Y87-V106 PolarHBondContact N-O 2.92Å; Y87-V106 PolarHBondContact O-N 2.93Å; V106-I108 HydrophobicContact CG1-CG2 4.04Å
107D92.9Very high92Very high52 Ų5255.9 Ų55.928%0.27830%0.299SS..EExtended strand (participates in β ladder)trans-136.9118.2176.5-171.1-29.7000107.5H84 L85 R86H84-D107 IonicContact CE1-OD1 3.99Å; H84-D107 IonicContact CG-OD1 3.99Å; H84-D107 IonicContact ND1-OD1 2.96Å; H84-D107 PolarHBondContact ND1-OD1 3Å; L85-D107 WeakPolarHBondContact O-CA 3.42Å; R86-D107 IonicContact CZ-OD2 2.74Å; R86-D107 VanDerWaalsContact CZ-OD2 3.22Å; R86-D107 IonicContact NE-OD2 3.15Å; R86-D107 PolarHBondContact NE-OD2 3.02Å; R86-D107 IonicContact NH2-OD2 2.86Å; R86-D107 PolarHBondContact NH2-OD2 2.95Å
108I94.5Very high93.1Very high75 Ų7549.5 Ų49.539%0.38527%0.265SS..EExtended strand (participates in β ladder)trans-132.1144.2-175.560.3170.8000110.5H84 L85 V106 T110H84-I108 CarbonylContact C-O 3.58Å; H84-I108 VanDerWaalsContact CA-O 3.28Å; H84-I108 WeakPolarHBondContact CA-O 3.39Å; L85-I108 HydrophobicContact CB-CG1 4.06Å; L85-I108 PolarHBondContact N-O 2.86Å; L85-I108 PolarHBondContact O-N 3.19Å; V106-I108 HydrophobicContact CG1-CG2 4.04Å; I108-T110 HydrophobicContact CD1-CG2 4.25Å; I108-T110 HydrophobicContact CG1-CG2 4.12Å
109A96.1Very high93.8Very high64 Ų6451.3 Ų51.353%0.52928%0.277SS..EExtended strand (participates in β ladder)trans-75.4141.5168.600000110.2P82 W83P82-A109 HydrophobicContact CB-CB 4.11Å; P82-A109 HydrophobicContact CG-CB 4.04Å; W83-A109 CarbonylContact O-C 3.57Å; W83-A109 VanDerWaalsContact O-CA 3.31Å; W83-A109 WeakPolarHBondContact O-CA 3.2Å
110T95.9Very high94.3Very high30 Ų3056 Ų5618%0.18430%0.3CS..EExtended strand (participates in β ladder)trans-137.3169.5-177.868.10000111W83 L85 I108 L114W83-T110 VanDerWaalsContact CB-OG1 3.29Å; W83-T110 WeakPolarHBondContact CB-OG1 3.48Å; W83-T110 PolarHBondContact N-O 2.96Å; W83-T110 PolarHBondContact O-N 3.47Å; W83-T110 PolarHBondContact O-OG1 3.06Å; L85-T110 HydrophobicContact CB-CG2 3.86Å; I108-T110 HydrophobicContact CD1-CG2 4.25Å; I108-T110 HydrophobicContact CG1-CG2 4.12Å; T110-L114 HydrophobicContact CG2-CD1 4.26Å; T110-L114 WeakPolarHBondContact OG1-CD2 3.39Å
111S94.2Very high94.5Very high77 Ų7761 Ų6154%0.53832%0.324SS..  trans-75171.9172.744.70000112.7N113 L114S111-N113 VanDerWaalsContact C-N 3.26Å; S111-N113 WeakPolarHBondContact CB-OD1 3.29Å; S111-N113 PolarHBondContact O-N 2.59Å; S111-N113 PolarHBondContact OG-OD1 2.91Å; S111-L114 PolarHBondContact O-N 2.67Å
112E93.3Very high94.7Very high157 Ų15763 Ų6373%0.73435%0.345SS*.THydrogen-bonded Turntrans-67-21.5-175-61.7-178.9171.800114.7L114E112-L114 PolarHBondContact O-N 3.3Å
113N95.2Very high94.9Very high85 Ų8563.5 Ų63.546%0.45535%0.347SS..THydrogen-bonded Turntrans-82.715.1179.969.7-38.6000113.9S111 T115 D116 F117S111-N113 VanDerWaalsContact C-N 3.26Å; S111-N113 WeakPolarHBondContact CB-OD1 3.29Å; S111-N113 PolarHBondContact O-N 2.59Å; S111-N113 PolarHBondContact OG-OD1 2.91Å; N113-T115 VanDerWaalsContact C-N 3.32Å; N113-T115 PolarHBondContact O-N 2.93Å; N113-D116 PolarHBondContact O-N 3.06Å; N113-F117 VanDerWaalsContact O-CB 3.3Å; N113-F117 WeakPolarHBondContact O-CB 3.42Å; N113-F117 PolarHBondContact O-N 3.2Å
114L96.5Very high95.1Very high6 Ų672 Ų723%0.03138%0.379CS..Hα-helixtrans-56.3-44.7-175175.761.8000112.3A72 W83 L85 T110 S111 E112 F117 L118A72-L114 HydrophobicContact CB-CD2 3.65Å; A72-L114 HydrophobicContact CB-CG 4.37Å; W83-L114 HydrophobicContact CB-CB 4.33Å; W83-L114 HydrophobicContact CB-CD2 4.13Å; W83-L114 HydrophobicContact CE3-CD2 4.25Å; L85-L114 HydrophobicContact CB-CD1 4.12Å; L85-L114 HydrophobicContact CB-CD2 4.03Å; L85-L114 HydrophobicContact CD1-CD1 4.18Å; L85-L114 HydrophobicContact CD1-CD2 4.34Å; L85-L114 HydrophobicContact CD2-CD1 4.14Å; L85-L114 HydrophobicContact CG-CD1 4.38Å; T110-L114 HydrophobicContact CG2-CD1 4.26Å; T110-L114 WeakPolarHBondContact OG1-CD2 3.39Å; S111-L114 PolarHBondContact O-N 2.67Å; E112-L114 PolarHBondContact O-N 3.3Å; L114-F117 PolarHBondContact O-N 2.8Å; L114-L118 HydrophobicContact CD1-CD1 4.09Å; L114-L118 HydrophobicContact CD1-CG 4.06Å; L114-L118 HydrophobicContact CG-CD1 4.11Å; L114-L118 HydrophobicContact CG-CG 4.46Å; L114-L118 VanDerWaalsContact O-CG 3.28Å; L114-L118 WeakPolarHBondContact O-CG 3.48Å; L114-L118 PolarHBondContact O-N 2.66Å
115T95.6Very high95.3Very high22 Ų2272.1 Ų72.114%0.13538%0.378CS..Hα-helixtrans-65.4-46-176.152.20000111.7M56 F58 W83 N113 L118 M119M56-T115 HydrophobicContact CE-CG2 4.16Å; M56-T115 HydrophobicContact SD-CG2 3.48Å; M56-T115 WeakPolarHBondContact SD-CG2 3.43Å; F58-T115 HydrophobicContact CE2-CG2 4.49Å; F58-T115 HydrophobicContact CZ-CG2 4.11Å; W83-T115 HydrophobicContact CH2-CG2 3.66Å; W83-T115 HydrophobicContact CZ2-CG2 4.49Å; W83-T115 HydrophobicContact CZ3-CG2 3.7Å; N113-T115 VanDerWaalsContact C-N 3.32Å; N113-T115 PolarHBondContact O-N 2.93Å; T115-L118 PolarHBondContact O-N 3.28Å; T115-M119 WeakPolarHBondContact O-CG 3.35Å; T115-M119 PolarHBondContact O-N 2.9Å
116D96.6Very high95.4Very high95 Ų9576.4 Ų76.451%0.50840%0.401SS..Hα-helixtrans-64-44.8178.6-61.1-23000110.2N113 L118 M119 E120N113-D116 PolarHBondContact O-N 3.06Å; D116-L118 VanDerWaalsContact C-N 3.34Å; D116-L118 PolarHBondContact O-N 2.95Å; D116-M119 PolarHBondContact O-N 3.05Å; D116-M119 VanDerWaalsContact O-N 3.16Å; D116-E120 WeakPolarHBondContact O-CG 3.4Å; D116-E120 PolarHBondContact O-N 3.32Å
117F97.4Very high95.5Very high100 Ų10078.5 Ų78.544%0.43941%0.407SS..Hα-helixtrans-57.7-44.4175.8176.4-106.6000112.4N113 L114 M119 E120 M121N113-F117 VanDerWaalsContact O-CB 3.3Å; N113-F117 WeakPolarHBondContact O-CB 3.42Å; N113-F117 PolarHBondContact O-N 3.2Å; L114-F117 PolarHBondContact O-N 2.8Å; F117-M119 PolarHBondContact O-N 2.84Å; F117-E120 PolarHBondContact O-N 2.84Å; F117-M121 HydrophobicContact CD1-SD 4.04Å; F117-M121 HydrophobicContact CE1-CG 4.21Å; F117-M121 HydrophobicContact CE1-SD 3.29Å; F117-M121 WeakPolarHBondContact CE1-SD 3.21Å; F117-M121 HydrophobicContact CE2-CG 4.27Å; F117-M121 HydrophobicContact CE2-SD 4.21Å; F117-M121 HydrophobicContact CZ-CG 4.04Å; F117-M121 HydrophobicContact CZ-SD 3.4Å; F117-M121 WeakPolarHBondContact CZ-SD 3.37Å; F117-M121 WeakPolarHBondContact O-CG 3.33Å; F117-M121 PolarHBondContact O-N 2.75Å
118L96.8Very high95.7Very high1 Ų177.2 Ų77.21%0.00540%0.399CS..Hα-helixtrans-63.6-41.3176.8-71.8175.9000111.9F58 L70 A72 L85 L114 T115 D116 M121 G122 F123F58-L118 HydrophobicContact CB-CD1 4.46Å; F58-L118 HydrophobicContact CD1-CB 4.24Å; F58-L118 HydrophobicContact CD1-CD1 4.35Å; F58-L118 HydrophobicContact CD2-CD1 3.7Å; F58-L118 HydrophobicContact CE1-CB 4.37Å; F58-L118 HydrophobicContact CE2-CD1 3.94Å; F58-L118 HydrophobicContact CG-CD1 3.92Å; F58-L118 HydrophobicContact CZ-CD1 4.38Å; L70-L118 HydrophobicContact CD1-CD2 3.76Å; A72-L118 HydrophobicContact CB-CD1 4.44Å; L85-L118 HydrophobicContact CD1-CD1 4.04Å; L85-L118 HydrophobicContact CD1-CD2 4.37Å; L114-L118 HydrophobicContact CD1-CD1 4.09Å; L114-L118 HydrophobicContact CD1-CG 4.06Å; L114-L118 HydrophobicContact CG-CD1 4.11Å; L114-L118 HydrophobicContact CG-CG 4.46Å; L114-L118 VanDerWaalsContact O-CG 3.28Å; L114-L118 WeakPolarHBondContact O-CG 3.48Å; L114-L118 PolarHBondContact O-N 2.66Å; T115-L118 PolarHBondContact O-N 3.28Å; D116-L118 VanDerWaalsContact C-N 3.34Å; D116-L118 PolarHBondContact O-N 2.95Å; L118-M121 PolarHBondContact O-N 3.46Å; L118-G122 PolarHBondContact O-N 3.46Å; L118-F123 HydrophobicContact CB-CB 4.3Å; L118-F123 HydrophobicContact CD2-CD2 4.23Å; L118-F123 HydrophobicContact CD2-CE2 4.44Å; L118-F123 VanDerWaalsContact O-CB 3.31Å; L118-F123 WeakPolarHBondContact O-CB 3.49Å; L118-F123 PolarHBondContact O-N 3.41Å
119M95.7Very high95.8Very high98 Ų9874.8 Ų74.848%0.48339%0.386SS..Hα-helixtrans-64.1-41.8176.2-68.2-173.4-166.900111.8F58 T115 D116 F117 M121 G122F58-M119 HydrophobicContact CE1-CE 4.25Å; F58-M119 HydrophobicContact CE1-CG 4.39Å; T115-M119 WeakPolarHBondContact O-CG 3.35Å; T115-M119 PolarHBondContact O-N 2.9Å; D116-M119 PolarHBondContact O-N 3.05Å; D116-M119 VanDerWaalsContact O-N 3.16Å; F117-M119 PolarHBondContact O-N 2.84Å; M119-M121 VanDerWaalsContact C-N 3.29Å; M119-M121 PolarHBondContact O-N 2.84Å; M119-G122 WeakPolarHBondContact O-CA 2.93Å; M119-G122 PolarHBondContact O-N 3.05Å
120E97.1Very high95.9Very high165 Ų16572 Ų7277%0.77136%0.363SS*.Hα-helixtrans-64-33.2175-72.5-179-175.500112.6D116 F117 G122D116-E120 WeakPolarHBondContact O-CG 3.4Å; D116-E120 PolarHBondContact O-N 3.32Å; F117-E120 PolarHBondContact O-N 2.84Å; E120-G122 PolarHBondContact O-N 3.29Å
121M95.6Very high96Very high105 Ų10570.6 Ų70.652%0.51735%0.354SS..THydrogen-bonded Turntrans-70.5-6.1171.1-73.3-171.173.800113.8F117 L118 M119 F123F117-M121 HydrophobicContact CD1-SD 4.04Å; F117-M121 HydrophobicContact CE1-CG 4.21Å; F117-M121 HydrophobicContact CE1-SD 3.29Å; F117-M121 WeakPolarHBondContact CE1-SD 3.21Å; F117-M121 HydrophobicContact CE2-CG 4.27Å; F117-M121 HydrophobicContact CE2-SD 4.21Å; F117-M121 HydrophobicContact CZ-CG 4.04Å; F117-M121 HydrophobicContact CZ-SD 3.4Å; F117-M121 WeakPolarHBondContact CZ-SD 3.37Å; F117-M121 WeakPolarHBondContact O-CG 3.33Å; F117-M121 PolarHBondContact O-N 2.75Å; L118-M121 PolarHBondContact O-N 3.46Å; M119-M121 VanDerWaalsContact C-N 3.29Å; M119-M121 PolarHBondContact O-N 2.84Å; M121-F123 HydrophobicContact CB-CD2 4.05Å; M121-F123 HydrophobicContact CB-CE2 4.36Å
122G95.2Very high96.2Very high43 Ų4372.7 Ų72.744%0.44335%0.353SS..THydrogen-bonded Turntrans92.97.4178.300000114.9L60 L118 M119 E120L60-G122 WeakPolarHBondContact CD1-O 3.46Å; L118-G122 PolarHBondContact O-N 3.46Å; M119-G122 WeakPolarHBondContact O-CA 2.93Å; M119-G122 PolarHBondContact O-N 3.05Å; E120-G122 PolarHBondContact O-N 3.29Å
123F96.4Very high96.4Very high12 Ų1265.5 Ų65.55%0.05332%0.321CS..  trans-69.1150.8169.2-73.4-103.4000110.6F58 L59 L60 F68 L70 L118 M121F58-F123 HydrophobicContact CB-CB 4.1Å; F58-F123 HydrophobicContact CB-CD1 3.92Å; F58-F123 HydrophobicContact CB-CG 4.38Å; F58-F123 HydrophobicContact CD1-CB 4.15Å; L59-F123 WeakPolarHBondContact O-CA 3.45Å; L60-F123 HydrophobicContact CB-CD1 3.66Å; L60-F123 HydrophobicContact CB-CD2 4.3Å; L60-F123 HydrophobicContact CB-CE1 3.48Å; L60-F123 VanDerWaalsContact CB-CE1 3.48Å; L60-F123 HydrophobicContact CB-CE2 4.15Å; L60-F123 HydrophobicContact CB-CG 4.06Å; L60-F123 HydrophobicContact CB-CZ 3.73Å; L60-F123 HydrophobicContact CD1-CD2 4.46Å; L60-F123 HydrophobicContact CD2-CE2 4.01Å; L60-F123 HydrophobicContact CD2-CZ 3.98Å; L60-F123 HydrophobicContact CG-CZ 4.43Å; F68-F123 AromaticContact CD1-CE1 3.69Å; F68-F123 HydrophobicContact CD1-CE1 3.69Å; F68-F123 AromaticContact CD1-CZ 3.65Å; F68-F123 HydrophobicContact CD1-CZ 3.65Å; F68-F123 HydrophobicContact CE1-CE1 4.17Å; F68-F123 AromaticContact CE1-CZ 3.88Å; F68-F123 HydrophobicContact CE1-CZ 3.88Å; L70-F123 HydrophobicContact CB-CE1 4.22Å; L70-F123 HydrophobicContact CD1-CD1 4.28Å; L70-F123 HydrophobicContact CD1-CE1 3.49Å; L70-F123 VanDerWaalsContact CD1-CE1 3.49Å; L70-F123 HydrophobicContact CD1-CE2 4.01Å; L70-F123 HydrophobicContact CD1-CZ 3.34Å; L70-F123 HydrophobicContact CG-CE1 3.7Å; L70-F123 HydrophobicContact CG-CZ 3.99Å; L118-F123 HydrophobicContact CB-CB 4.3Å; L118-F123 HydrophobicContact CD2-CD2 4.23Å; L118-F123 HydrophobicContact CD2-CE2 4.44Å; L118-F123 VanDerWaalsContact O-CB 3.31Å; L118-F123 WeakPolarHBondContact O-CB 3.49Å; L118-F123 PolarHBondContact O-N 3.41Å; M121-F123 HydrophobicContact CB-CD2 4.05Å; M121-F123 HydrophobicContact CB-CE2 4.36Å
124R95.6Very high96.5Very high195 Ų19563.8 Ų63.874%0.73631%0.31SS*.EExtended strand (participates in β ladder)trans-117.5134.4170.9-61-172.5-176.6-173.40.5109.3F58 L59 D126F58-R124 CarbonylContact C-O 3.51Å; F58-R124 WeakPolarHBondContact CA-O 3.41Å; L59-R124 PolarHBondContact N-O 2.78Å; L59-R124 PolarHBondContact O-N 2.62Å; R124-D126 PolarHBondContact O-N 2.86Å
125M95.4Very high96.6Very high78 Ų7864.4 Ų64.438%0.38431%0.314SS..EExtended strand (participates in β ladder)trans-64.8129.2169.4-171.9178.369.300108.8F58 E128F58-M125 HydrophobicContact CD1-CB 4.17Å; F58-M125 HydrophobicContact CE1-CB 3.87Å; F58-M125 HydrophobicContact CE1-CG 4.48Å; F58-M125 HydrophobicContact CZ-CB 4.36Å; M125-E128 HydrophobicContact SD-CB 4.42Å
126D94.9Very high96.7Very high98 Ų9863.7 Ų63.752%0.52431%0.309SS..EExtended strand (participates in β ladder)trans-97.1-53.7179.6-179.761.4000110.9V57 L59 R124V57-D126 PolarHBondContact O-N 3.42Å; L59-D126 HydrophobicContact CD1-CB 3.55Å; L59-D126 VanDerWaalsContact CD1-CG 3.47Å; L59-D126 WeakPolarHBondContact CD1-OD1 3.24Å; L59-D126 HydrophobicContact CG-CB 3.7Å; R124-D126 PolarHBondContact O-N 2.86Å
127H94.6Very high96.6Very high91 Ų9165.6 Ų65.642%0.42131%0.309SS..EExtended strand (participates in β ladder)trans-152.8161.8174.361.8-85000111V57 F129V57-H127 VanDerWaalsContact CG2-NE2 3.35Å; V57-H127 WeakPolarHBondContact CG2-NE2 3.48Å; V57-H127 PolarHBondContact N-O 2.84Å; H127-F129 AromaticContact CD2-CD1 3.96Å
128E96.8Very high96.5Very high24 Ų2464 Ų6411%0.11230%0.302CS..EExtended strand (participates in β ladder)trans-136.7152.717557.9178.4164.700110H54 E55 M56 M125 I151 P154 G155H54-E128 IonicContact CE1-OE2 3.81Å; H54-E128 PolarHBondContact CE1-OE2 2.99Å; H54-E128 IonicContact NE2-OE2 3.49Å; H54-E128 PolarHBondContact NE2-OE2 3.49Å; E55-E128 CarbonylContact O-C 3.54Å; E55-E128 WeakPolarHBondContact O-CA 3.41Å; E55-E128 WeakPolarHBondContact O-CB 3.36Å; M56-E128 HydrophobicContact CG-CB 4.07Å; M125-E128 HydrophobicContact SD-CB 4.42Å; E128-I151 HydrophobicContact CB-CD1 4.11Å; E128-I151 HydrophobicContact CG-CB 4.4Å; E128-I151 HydrophobicContact CG-CD1 3.69Å; E128-P154 VanDerWaalsContact OE1-CA 3.23Å; E128-P154 WeakPolarHBondContact OE1-CA 3.3Å; E128-G155 PolarHBondContact OE1-N 3.48Å
129F97.7Very high96.3Very high25 Ų2567.6 Ų67.611%0.1134%0.339CS..EExtended strand (participates in β ladder)trans-155.5161.8179.860.8-88.3000111.1H54 E55 V57 H127 A131 I148 F149H54-F129 PolarHBondContact CD2-O 3.1Å; E55-F129 HydrophobicContact CB-CD1 4.34Å; E55-F129 HydrophobicContact CB-CD2 4.19Å; E55-F129 HydrophobicContact CB-CE1 3.84Å; E55-F129 HydrophobicContact CB-CE2 3.67Å; E55-F129 HydrophobicContact CB-CZ 3.47Å; E55-F129 VanDerWaalsContact CB-CZ 3.47Å; E55-F129 HydrophobicContact CG-CE2 4.11Å; E55-F129 HydrophobicContact CG-CZ 4.1Å; E55-F129 PolarHBondContact N-O 3.29Å; E55-F129 PolarHBondContact O-N 3.26Å; V57-F129 HydrophobicContact CG2-CE1 4.32Å; H127-F129 AromaticContact CD2-CD1 3.96Å; F129-A131 HydrophobicContact CD2-CB 4.43Å; F129-A131 HydrophobicContact CE2-CB 4.21Å; F129-I148 HydrophobicContact CB-CG2 4.03Å; F129-I148 HydrophobicContact CD2-CG2 3.81Å; F129-I148 HydrophobicContact CG-CG2 4.05Å; F129-F149 WeakPolarHBondContact CB-O 3.42Å
130V98.2Very high96.2Very high5 Ų568.7 Ų68.73%0.0335%0.346CS..EExtended strand (participates in β ladder)trans-102.3128.7171.7173.90000109.1L52 D53 M76 F149 I151 T157 T160L52-V130 HydrophobicContact CD1-CG1 3.43Å; L52-V130 VanDerWaalsContact CD1-CG1 3.43Å; L52-V130 HydrophobicContact CG-CG1 4.36Å; D53-V130 CarbonylContact O-C 3.54Å; D53-V130 WeakPolarHBondContact O-CA 3.35Å; M76-V130 HydrophobicContact SD-CG1 4.36Å; M76-V130 HydrophobicContact SD-CG2 4.12Å; V130-F149 HydrophobicContact CB-CB 4.24Å; V130-F149 PolarHBondContact N-O 2.84Å; V130-F149 PolarHBondContact O-N 2.99Å; V130-I151 HydrophobicContact CG2-CD1 4.21Å; V130-I151 HydrophobicContact CG2-CG1 4.28Å; V130-T157 HydrophobicContact CG2-CG2 4.28Å; V130-T160 HydrophobicContact CB-CG2 4.44Å; V130-T160 HydrophobicContact CG2-CG2 4.01Å
131A97.9Very high96.2Very high0 Ų062.1 Ų62.10%032%0.315CS..EExtended strand (participates in β ladder)trans-106.7125.417300000109.4F51 L52 D53 F129 Y146F51-A131 HydrophobicContact CE2-CB 4.06Å; L52-A131 WeakPolarHBondContact CA-O 3.48Å; D53-A131 PolarHBondContact N-O 3.24Å; D53-A131 PolarHBondContact O-N 3.32Å; F129-A131 HydrophobicContact CD2-CB 4.43Å; F129-A131 HydrophobicContact CE2-CB 4.21Å; A131-Y146 HydrophobicContact CB-CD2 3.9Å; A131-Y146 HydrophobicContact CB-CE2 4.22Å
132K97.9Very high96.3Very high122 Ų12259.1 Ų59.153%0.5330%0.299SS..EExtended strand (participates in β ladder)trans-128.5128.3178.5-175.5-178.3178.41760110.5F51 L52 Y146 K147 F149F51-K132 WeakPolarHBondContact O-CA 3.27Å; L52-K132 HydrophobicContact CD1-CB 3.75Å; L52-K132 HydrophobicContact CD1-CD 4.16Å; L52-K132 HydrophobicContact CD1-CG 3.95Å; K132-Y146 CarbonylContact O-C 3.57Å; K132-Y146 VanDerWaalsContact O-CA 3.32Å; K132-Y146 WeakPolarHBondContact O-CA 3.37Å; K132-Y146 WeakPolarHBondContact O-CB 3.49Å; K132-K147 PolarHBondContact N-O 3.08Å; K132-K147 PolarHBondContact O-N 2.87Å; K132-F149 HydrophobicContact CB-CD2 4.42Å; K132-F149 HydrophobicContact CB-CE2 3.94Å
133G97.6Very high96.4Very high6 Ų657.1 Ų57.16%0.06228%0.278CS..EExtended strand (participates in β ladder)trans-177.4-157.5-17800000116.5T50 F51 V145T50-G133 WeakPolarHBondContact CA-O 3.01Å; F51-G133 PolarHBondContact N-O 2.71Å; F51-G133 PolarHBondContact O-N 2.63Å; G133-V145 CarbonylContact C-O 3.43Å; G133-V145 WeakPolarHBondContact CA-O 3.47Å
134H97.9Very high96.5Very high48 Ų4857.6 Ų57.622%0.22228%0.281CS..EExtended strand (participates in β ladder)trans-119.5141.5-176.1-60.4-78.5000110.2I36 P48 E49 F136 M144 V145I36-H134 HydrophobicContact CD1-CB 3.87Å; P48-H134 HydrophobicContact CB-CB 3.92Å; P48-H134 HydrophobicContact CG-CB 4.4Å; E49-H134 CarbonylContact O-C 3.55Å; E49-H134 WeakPolarHBondContact O-CA 3.25Å; H134-F136 HydrophobicContact CB-CE2 3.95Å; H134-M144 WeakPolarHBondContact O-CA 3.43Å; H134-V145 PolarHBondContact N-O 3.01Å; H134-V145 PolarHBondContact O-N 2.91Å
135L97.3Very high96.6Very high20 Ų2048.3 Ų48.311%0.10525%0.246CC..EExtended strand (participates in β ladder)trans-123120.4179.4169.458.5000109.2E49 F51 K142 I143 M144E49-L135 HydrophobicContact CB-CB 4.23Å; E49-L135 PolarHBondContact N-O 3.39Å; E49-L135 PolarHBondContact O-N 2.76Å; E49-L135 WeakPolarHBondContact OE2-CD2 3.46Å; F51-L135 HydrophobicContact CD1-CB 4.24Å; L135-K142 HydrophobicContact CD1-CD 3.92Å; L135-K142 HydrophobicContact CD1-CG 3.37Å; L135-I143 WeakPolarHBondContact CA-O 3.42Å; L135-M144 HydrophobicContact CD1-CG 3.91Å
136F97.8Very high96.8Very high6 Ų645.3 Ų45.33%0.02623%0.231CC..EExtended strand (participates in β ladder)trans-112153172.7-59.7-100.9000110.3I36 L39 R40 C43 P48 H134 I143I36-F136 HydrophobicContact CD1-CE2 3.6Å; I36-F136 HydrophobicContact CD1-CZ 3.74Å; I36-F136 HydrophobicContact CG2-CZ 4.2Å; L39-F136 HydrophobicContact CB-CD1 4.02Å; L39-F136 HydrophobicContact CB-CD2 4.17Å; L39-F136 HydrophobicContact CB-CE1 3.77Å; L39-F136 HydrophobicContact CB-CE2 3.94Å; L39-F136 HydrophobicContact CB-CG 4.2Å; L39-F136 HydrophobicContact CB-CZ 3.7Å; L39-F136 HydrophobicContact CD1-CD2 3.89Å; L39-F136 HydrophobicContact CD1-CE2 3.7Å; L39-F136 HydrophobicContact CD1-CZ 4.27Å; L39-F136 HydrophobicContact CG-CE2 4.47Å; R40-F136 HydrophobicContact CG-CE1 3.87Å; C43-F136 HydrophobicContact CB-CB 4.39Å; C43-F136 HydrophobicContact CB-CD1 4.3Å; P48-F136 HydrophobicContact CB-CD1 4Å; P48-F136 HydrophobicContact CB-CD2 4.06Å; P48-F136 HydrophobicContact CB-CE1 3.62Å; P48-F136 HydrophobicContact CB-CE2 3.68Å; P48-F136 HydrophobicContact CB-CG 4.22Å; P48-F136 HydrophobicContact CB-CZ 3.46Å; P48-F136 VanDerWaalsContact CB-CZ 3.46Å; P48-F136 HydrophobicContact CG-CE1 3.82Å; P48-F136 HydrophobicContact CG-CE2 4.19Å; P48-F136 HydrophobicContact CG-CZ 3.57Å; H134-F136 HydrophobicContact CB-CE2 3.95Å; F136-I143 HydrophobicContact CB-CB 4.22Å; F136-I143 PolarHBondContact N-O 3.46Å; F136-I143 PolarHBondContact O-N 3.49Å
137R95.7Very high96.9Very high135 Ų13541.4 Ų41.451%0.50921%0.209SC..EExtended strand (participates in β ladder)trans-129.7137.1174.2-67.9-178175.483.8-5.7110E49 M141E49-R137 IonicContact OE2-CZ 3.55Å; E49-R137 IonicContact OE2-NH1 2.66Å; E49-R137 PolarHBondContact OE2-NH1 2.94Å; E49-R137 IonicContact OE2-NH2 3.61Å; R137-M141 WeakPolarHBondContact CA-O 3.49Å
138K94.9Very high97.1Very high67 Ų6739.3 Ų39.329%0.29120%0.2SC..EExtended strand (participates in β ladder)trans-134.8102.5168.7-177.7176.4-170.9152.60108.6L42 I140 M141 F189L42-K138 VanDerWaalsContact O-CD 3.3Å; L42-K138 WeakPolarHBondContact O-CD 3.3Å; L42-K138 WeakPolarHBondContact O-CE 3.19Å; L42-K138 PolarHBondContact O-NZ 2.82Å; K138-I140 PolarHBondContact O-N 2.92Å; K138-M141 PolarHBondContact N-O 3.13Å; K138-M141 WeakPolarHBondContact O-CB 3.42Å; K138-M141 PolarHBondContact O-N 3.22Å; K138-F189 HydrophobicContact CD-CD2 3.78Å; K138-F189 HydrophobicContact CD-CE2 3.55Å
139G93.2Very high97.1Very high77 Ų7740.4 Ų40.479%0.79421%0.205SC*.THydrogen-bonded Turntrans55.3-121.9-167.800000110.7
140I93.3Very high97.1Very high121 Ų12145.2 Ų45.262%0.62122%0.222SC*.THydrogen-bonded Turntrans-86-6.9177.665.9174.6000113.9K138 V173K138-I140 PolarHBondContact O-N 2.92Å; I140-V173 HydrophobicContact CD1-CG1 3.63Å; I140-V173 HydrophobicContact CG1-CG1 3.95Å; I140-V173 HydrophobicContact CG1-CG2 4.46Å
141M96.1Very high97Very high26 Ų2646.1 Ų46.113%0.12823%0.227CC..EExtended strand (participates in β ladder)trans-77.6130.6178.6-63.3-177-16700110.7R137 K138 I143 L171 V173 D185 F189R137-M141 WeakPolarHBondContact CA-O 3.49Å; K138-M141 PolarHBondContact N-O 3.13Å; K138-M141 WeakPolarHBondContact O-CB 3.42Å; K138-M141 PolarHBondContact O-N 3.22Å; M141-I143 HydrophobicContact CB-CD1 4.12Å; M141-L171 HydrophobicContact CB-CD1 3.88Å; M141-L171 HydrophobicContact CG-CD1 4.24Å; M141-L171 HydrophobicContact SD-CD1 4.17Å; M141-V173 HydrophobicContact CB-CG2 4.32Å; M141-V173 HydrophobicContact CG-CG2 3.79Å; M141-D185 HydrophobicContact CE-CB 3.57Å; M141-F189 HydrophobicContact CE-CB 4.44Å; M141-F189 HydrophobicContact SD-CB 3.92Å; M141-F189 HydrophobicContact SD-CD2 4.24Å; M141-F189 HydrophobicContact SD-CG 4.04Å
142K97.3Very high96.8Very high43 Ų4350.1 Ų50.119%0.18725%0.248CC..EExtended strand (participates in β ladder)trans-110.4118.6174.9-168.3-175.461.8166.90109L135 M144 S172L135-K142 HydrophobicContact CD1-CD 3.92Å; L135-K142 HydrophobicContact CD1-CG 3.37Å; K142-M144 HydrophobicContact CD-CG 4.44Å; K142-M144 HydrophobicContact CD-SD 4.24Å; K142-M144 HydrophobicContact CG-CG 4.37Å; K142-S172 WeakPolarHBondContact CE-OG 3.11Å; K142-S172 PolarHBondContact N-O 3.24Å; K142-S172 PolarHBondContact O-N 3.14Å; K142-S172 PolarHBondContact O-OG 3.22Å
143I98.1Very high96.6Very high0 Ų047.9 Ų47.90%024%0.244CC..EExtended strand (participates in β ladder)trans-111.2120.2176.5-54.776.7000108.3L39 L135 F136 M141 V145 V169 E170 L171 F189L39-I143 HydrophobicContact CD1-CG2 4.11Å; L39-I143 HydrophobicContact CD2-CG1 4.47Å; L39-I143 HydrophobicContact CD2-CG2 3.97Å; L135-I143 WeakPolarHBondContact CA-O 3.42Å; F136-I143 HydrophobicContact CB-CB 4.22Å; F136-I143 PolarHBondContact N-O 3.46Å; F136-I143 PolarHBondContact O-N 3.49Å; M141-I143 HydrophobicContact CB-CD1 4.12Å; I143-V145 HydrophobicContact CG2-CG2 4.43Å; I143-V169 HydrophobicContact CG2-CG1 4.39Å; I143-E170 CarbonylContact C-O 3.59Å; I143-E170 VanDerWaalsContact CA-O 3.29Å; I143-E170 WeakPolarHBondContact CA-O 3.18Å; I143-L171 HydrophobicContact CD1-CD1 3.93Å; I143-L171 HydrophobicContact CG1-CD1 3.72Å; I143-F189 HydrophobicContact CD1-CE1 4.04Å; I143-F189 HydrophobicContact CD1-CZ 3.95Å; I143-F189 HydrophobicContact CG1-CE1 3.73Å; I143-F189 HydrophobicContact CG1-CZ 4.04Å
144M98.3Very high96.2Very high23 Ų2352.8 Ų52.811%0.11328%0.275CS..EExtended strand (participates in β ladder)trans-112.1128.8175.2-58.6-171.2-49.100109.2H134 L135 K142 Y146 V169 E170H134-M144 WeakPolarHBondContact O-CA 3.43Å; L135-M144 HydrophobicContact CD1-CG 3.91Å; K142-M144 HydrophobicContact CD-CG 4.44Å; K142-M144 HydrophobicContact CD-SD 4.24Å; K142-M144 HydrophobicContact CG-CG 4.37Å; M144-Y146 HydrophobicContact CB-CD1 3.85Å; M144-Y146 HydrophobicContact CB-CE1 4.06Å; M144-Y146 HydrophobicContact CE-CE1 4.12Å; M144-V169 CarbonylContact O-C 3.58Å; M144-V169 WeakPolarHBondContact O-CA 3.22Å; M144-E170 HydrophobicContact CE-CB 4.47Å; M144-E170 WeakPolarHBondContact CE-OE2 3.49Å; M144-E170 PolarHBondContact N-O 2.91Å; M144-E170 PolarHBondContact O-N 2.8Å
145V98.4Very high95.7Very high0 Ų053.2 Ų53.20%029%0.292CS..EExtended strand (participates in β ladder)trans-120.4105.9173.3-178.10000107.3L32 L35 I36 L39 G133 H134 I143 Y167 L168 V169L32-V145 HydrophobicContact CD1-CG1 3.6Å; L35-V145 HydrophobicContact CD2-CG1 4.17Å; L35-V145 HydrophobicContact CD2-CG2 4.06Å; I36-V145 HydrophobicContact CD1-CB 4.45Å; L39-V145 HydrophobicContact CD1-CG2 3.55Å; G133-V145 CarbonylContact C-O 3.43Å; G133-V145 WeakPolarHBondContact CA-O 3.47Å; H134-V145 PolarHBondContact N-O 3.01Å; H134-V145 PolarHBondContact O-N 2.91Å; I143-V145 HydrophobicContact CG2-CG2 4.43Å; V145-Y167 HydrophobicContact CG1-CD1 4.25Å; V145-Y167 HydrophobicContact CG1-CG 4.4Å; V145-L168 WeakPolarHBondContact CA-O 3.41Å; V145-V169 HydrophobicContact CG1-CG2 4.36Å; V145-V169 HydrophobicContact CG2-CG1 4.17Å; V145-V169 HydrophobicContact CG2-CG2 4.34Å
146Y98.5Very high95.4Very high15 Ų1555.1 Ų55.16%0.05930%0.302CS..EExtended strand (participates in β ladder)trans-146.2157.1-170.566.1-83.8000113.4F51 A131 K132 M144 I148 Y167 L168 E170F51-Y146 HydrophobicContact CZ-CD1 4.1Å; F51-Y146 AromaticContact CZ-CG 3.88Å; F51-Y146 HydrophobicContact CZ-CG 3.88Å; A131-Y146 HydrophobicContact CB-CD2 3.9Å; A131-Y146 HydrophobicContact CB-CE2 4.22Å; K132-Y146 CarbonylContact O-C 3.57Å; K132-Y146 VanDerWaalsContact O-CA 3.32Å; K132-Y146 WeakPolarHBondContact O-CA 3.37Å; K132-Y146 WeakPolarHBondContact O-CB 3.49Å; M144-Y146 HydrophobicContact CB-CD1 3.85Å; M144-Y146 HydrophobicContact CB-CE1 4.06Å; M144-Y146 HydrophobicContact CE-CE1 4.12Å; Y146-I148 HydrophobicContact CD2-CG1 4.08Å; Y146-I148 HydrophobicContact CE2-CD1 4.18Å; Y146-I148 HydrophobicContact CE2-CG1 3.8Å; Y146-Y167 CarbonylContact O-C 3.57Å; Y146-Y167 WeakPolarHBondContact O-CA 3.33Å; Y146-L168 HydrophobicContact CE1-CB 4.43Å; Y146-L168 HydrophobicContact CE1-CD2 4.15Å; Y146-L168 HydrophobicContact CE2-CD2 4.21Å; Y146-L168 PolarHBondContact N-O 3.47Å; Y146-L168 PolarHBondContact O-N 2.82Å; Y146-L168 WeakPolarHBondContact OH-CD2 3.36Å; Y146-E170 HydrophobicContact CE1-CG 3.82Å; Y146-E170 WeakPolarHBondContact CE1-OE2 3.4Å; Y146-E170 PolarHBondContact OH-OE2 2.98Å
147K98.1Very high95.2Very high15 Ų1555.9 Ų55.97%0.06531%0.307CS..EExtended strand (participates in β ladder)trans-108140174.2-178.4167.3-73.7-162.80109.3D29 K132 F149 A162 Y167D29-K147 VanDerWaalsContact OD1-CE 3.29Å; D29-K147 WeakPolarHBondContact OD1-CE 3.49Å; D29-K147 IonicContact OD1-NZ 3.09Å; D29-K147 PolarHBondContact OD1-NZ 3.4Å; D29-K147 IonicContact OD2-NZ 3.8Å; D29-K147 PolarHBondContact OD2-NZ 2.8Å; K132-K147 PolarHBondContact N-O 3.08Å; K132-K147 PolarHBondContact O-N 2.87Å; K147-F149 HydrophobicContact CB-CE2 3.81Å; K147-F149 HydrophobicContact CB-CZ 4.31Å; K147-F149 HydrophobicContact CD-CE1 4.43Å; K147-F149 HydrophobicContact CD-CE2 4.12Å; K147-F149 HydrophobicContact CD-CZ 3.8Å; K147-F149 HydrophobicContact CG-CD2 4.31Å; K147-F149 HydrophobicContact CG-CE2 3.71Å; K147-F149 HydrophobicContact CG-CZ 3.93Å; K147-A162 HydrophobicContact CD-CB 4Å; K147-Y167 HydrophobicContact CB-CD1 3.92Å; K147-Y167 HydrophobicContact CB-CE1 3.77Å; K147-Y167 HydrophobicContact CB-CG 4.41Å
148I97.8Very high95.1Very high47 Ų4756.1 Ų56.124%0.24132%0.319CS..EExtended strand (participates in β ladder)trans-95.5132.2176.8-61.4174.1000108.2F129 Y146 L163F129-I148 HydrophobicContact CB-CG2 4.03Å; F129-I148 HydrophobicContact CD2-CG2 3.81Å; F129-I148 HydrophobicContact CG-CG2 4.05Å; Y146-I148 HydrophobicContact CD2-CG1 4.08Å; Y146-I148 HydrophobicContact CE2-CD1 4.18Å; Y146-I148 HydrophobicContact CE2-CG1 3.8Å; I148-L163 HydrophobicContact CB-CB 4.41Å; I148-L163 HydrophobicContact CB-CD2 4.36Å; I148-L163 HydrophobicContact CG2-CB 4.32Å; I148-L163 HydrophobicContact CG2-CD2 3.93Å; I148-L163 WeakPolarHBondContact O-CB 3.34Å; I148-L163 PolarHBondContact O-N 3.25Å
149F97.9Very high95.1Very high47 Ų4754.6 Ų54.621%0.20632%0.316CS..EExtended strand (participates in β ladder)trans-116.9123.3175.7-63.5-101.4000108.8F129 V130 K132 K147 E161 A162F129-F149 WeakPolarHBondContact CB-O 3.42Å; V130-F149 HydrophobicContact CB-CB 4.24Å; V130-F149 PolarHBondContact N-O 2.84Å; V130-F149 PolarHBondContact O-N 2.99Å; K132-F149 HydrophobicContact CB-CD2 4.42Å; K132-F149 HydrophobicContact CB-CE2 3.94Å; K147-F149 HydrophobicContact CB-CE2 3.81Å; K147-F149 HydrophobicContact CB-CZ 4.31Å; K147-F149 HydrophobicContact CD-CE1 4.43Å; K147-F149 HydrophobicContact CD-CE2 4.12Å; K147-F149 HydrophobicContact CD-CZ 3.8Å; K147-F149 HydrophobicContact CG-CD2 4.31Å; K147-F149 HydrophobicContact CG-CE2 3.71Å; K147-F149 HydrophobicContact CG-CZ 3.93Å; F149-E161 CarbonylContact C-O 3.5Å; F149-E161 WeakPolarHBondContact CA-O 3.37Å; F149-A162 HydrophobicContact CD1-CB 4.16Å; F149-A162 HydrophobicContact CE1-CB 3.97Å
150R96.1Very high95.2Very high127 Ų12753.2 Ų53.248%0.47929%0.293SS..EExtended strand (participates in β ladder)trans-74.6139.2174.568.3176.3-168.8-168.20.4109.4L152 T160 E161 L163R150-L152 HydrophobicContact CG-CD2 4Å; R150-T160 VanDerWaalsContact O-CA 3.24Å; R150-T160 WeakPolarHBondContact O-CA 3.27Å; R150-T160 WeakPolarHBondContact O-CB 3.31Å; R150-E161 HydrophobicContact CG-CG 3.61Å; R150-E161 IonicContact CZ-OE1 3.24Å; R150-E161 PolarHBondContact N-O 3.44Å; R150-E161 IonicContact NE-OE1 3.01Å; R150-E161 PolarHBondContact NE-OE1 3.33Å; R150-E161 VanDerWaalsContact NH2-CD 3.26Å; R150-E161 IonicContact NH2-OE1 2.76Å; R150-E161 PolarHBondContact NH2-OE1 3.26Å; R150-E161 IonicContact NH2-OE2 3.77Å; R150-E161 PolarHBondContact O-N 2.78Å; R150-L163 HydrophobicContact CB-CD1 4.4Å
151I96.5Very high95.4Very high24 Ų2451 Ų5112%0.12328%0.28CS..EExtended strand (participates in β ladder)trans-82.7127.6173-71166.6000108.4H54 E128 V130 V153 T157 T160H54-I151 VanDerWaalsContact NE2-CD1 3.3Å; H54-I151 WeakPolarHBondContact NE2-CD1 3Å; E128-I151 HydrophobicContact CB-CD1 4.11Å; E128-I151 HydrophobicContact CG-CB 4.4Å; E128-I151 HydrophobicContact CG-CD1 3.69Å; V130-I151 HydrophobicContact CG2-CD1 4.21Å; V130-I151 HydrophobicContact CG2-CG1 4.28Å; I151-V153 WeakPolarHBondContact CG2-O 3.35Å; I151-T157 HydrophobicContact CD1-CG2 4.15Å; I151-T160 HydrophobicContact CG1-CG2 3.87Å
152L93.9Very high95.4Very high84 Ų8452 Ų5244%0.4429%0.292SS..SBendtrans-87.4-29.6-175.5-51.8-177.4000112.8R150 S159 E161R150-L152 HydrophobicContact CG-CD2 4Å; L152-S159 WeakPolarHBondContact CG-O 3.21Å; L152-S159 PolarHBondContact N-O 2.86Å; L152-E161 HydrophobicContact CD2-CB 4.49Å; L152-E161 HydrophobicContact CD2-CG 3.9Å; L152-E161 WeakPolarHBondContact CD2-OE1 3.47Å
153V93.1Very high95.3Very high75 Ų7554.8 Ų54.846%0.45531%0.308SS..SBendtrans-125.9115.8178.1178.70000106.7I151 G155 N156I151-V153 WeakPolarHBondContact CG2-O 3.35Å; V153-G155 PolarHBondContact O-N 2.73Å; V153-N156 HydrophobicContact CB-CB 3.99Å; V153-N156 HydrophobicContact CG1-CB 4.2Å; V153-N156 VanDerWaalsContact O-CB 3.31Å; V153-N156 WeakPolarHBondContact O-CB 3.5Å; V153-N156 PolarHBondContact O-N 2.98Å
154P89.4Confident95.2Very high109 Ų10957.3 Ų57.371%0.70833%0.326SS*.THydrogen-bonded Turntrans-50.1135-176.8-29.635.3000113E128 N156E128-P154 VanDerWaalsContact OE1-CA 3.23Å; E128-P154 WeakPolarHBondContact OE1-CA 3.3Å; P154-N156 PolarHBondContact O-N 2.88Å
155G87.6Confident95.1Very high56 Ų5662.8 Ų62.858%0.57736%0.355SS*.THydrogen-bonded Turntrans75.1-9.2-175.700000115.3E128 V153 T157E128-G155 PolarHBondContact OE1-N 3.48Å; V153-G155 PolarHBondContact O-N 2.73Å; G155-T157 PolarHBondContact O-N 2.81Å
156N92.7Very high95Very high61 Ų6164 Ų6433%0.32636%0.363SS..  trans-98.789.2179.9-173.6-8.5000111.2V153 P154 D158 S159V153-N156 HydrophobicContact CB-CB 3.99Å; V153-N156 HydrophobicContact CG1-CB 4.2Å; V153-N156 VanDerWaalsContact O-CB 3.31Å; V153-N156 WeakPolarHBondContact O-CB 3.5Å; V153-N156 PolarHBondContact O-N 2.98Å; P154-N156 PolarHBondContact O-N 2.88Å; N156-D158 PolarHBondContact O-N 3.08Å; N156-D158 WeakPolarHBondContact OD1-CB 3.43Å; N156-D158 PolarHBondContact OD1-N 2.66Å; N156-D158 VanDerWaalsContact OD1-N 3.13Å; N156-S159 PolarHBondContact O-N 3.01Å; N156-S159 PolarHBondContact OD1-N 2.74Å
157T92.7Very high95Very high21 Ų2165.5 Ų65.513%0.12937%0.369CS..THydrogen-bonded Turntrans-69.7-9.4179.954.60000114.5H54 M76 V130 I151 G155 T160H54-T157 HydrophobicContact CB-CG2 4.37Å; M76-T157 HydrophobicContact CE-CG2 4.27Å; M76-T157 VanDerWaalsContact CE-OG1 3.27Å; M76-T157 WeakPolarHBondContact CE-OG1 3.46Å; M76-T157 HydrophobicContact SD-CG2 4.28Å; V130-T157 HydrophobicContact CG2-CG2 4.28Å; I151-T157 HydrophobicContact CD1-CG2 4.15Å; G155-T157 PolarHBondContact O-N 2.81Å; T157-T160 VanDerWaalsContact O-CG2 3.27Å; T157-T160 WeakPolarHBondContact O-CG2 3.36Å
158D92.6Very high95Very high141 Ų14166.9 Ų66.975%0.75438%0.377SS*.THydrogen-bonded Turntrans-84.9-26.3174.7-60-36.4000111.5N156 T160N156-D158 PolarHBondContact O-N 3.08Å; N156-D158 WeakPolarHBondContact OD1-CB 3.43Å; N156-D158 PolarHBondContact OD1-N 2.66Å; N156-D158 VanDerWaalsContact OD1-N 3.13Å; D158-T160 PolarHBondContact O-N 3Å
159S95Very high95Very high34 Ų3464.6 Ų64.624%0.23837%0.366CS..SBendtrans-93.179.3179.6-176.70000110.6L152 N156L152-S159 WeakPolarHBondContact CG-O 3.21Å; L152-S159 PolarHBondContact N-O 2.86Å; N156-S159 PolarHBondContact O-N 3.01Å; N156-S159 PolarHBondContact OD1-N 2.74Å
160T96.8Very high95Very high48 Ų4863.3 Ų63.329%0.29436%0.36SS..EExtended strand (participates in β ladder)trans-128.2157-176.365.30000113.6V130 R150 I151 T157 D158V130-T160 HydrophobicContact CB-CG2 4.44Å; V130-T160 HydrophobicContact CG2-CG2 4.01Å; R150-T160 VanDerWaalsContact O-CA 3.24Å; R150-T160 WeakPolarHBondContact O-CA 3.27Å; R150-T160 WeakPolarHBondContact O-CB 3.31Å; I151-T160 HydrophobicContact CG1-CG2 3.87Å; T157-T160 VanDerWaalsContact O-CG2 3.27Å; T157-T160 WeakPolarHBondContact O-CG2 3.36Å; D158-T160 PolarHBondContact O-N 3Å
161E96.6Very high95.1Very high75 Ų7557.2 Ų57.235%0.3534%0.337SS..EExtended strand (participates in β ladder)trans-138150.7168.679.3-170.9117.900111.9F149 R150 L152 L163F149-E161 CarbonylContact C-O 3.5Å; F149-E161 WeakPolarHBondContact CA-O 3.37Å; R150-E161 HydrophobicContact CG-CG 3.61Å; R150-E161 IonicContact CZ-OE1 3.24Å; R150-E161 PolarHBondContact N-O 3.44Å; R150-E161 IonicContact NE-OE1 3.01Å; R150-E161 PolarHBondContact NE-OE1 3.33Å; R150-E161 VanDerWaalsContact NH2-CD 3.26Å; R150-E161 IonicContact NH2-OE1 2.76Å; R150-E161 PolarHBondContact NH2-OE1 3.26Å; R150-E161 IonicContact NH2-OE2 3.77Å; R150-E161 PolarHBondContact O-N 2.78Å; L152-E161 HydrophobicContact CD2-CB 4.49Å; L152-E161 HydrophobicContact CD2-CG 3.9Å; L152-E161 WeakPolarHBondContact CD2-OE1 3.47Å; E161-L163 PolarHBondContact O-N 3.14Å
162A96.8Very high95.1Very high46 Ų4656.3 Ų56.338%0.3833%0.333SS..EExtended strand (participates in β ladder)trans-61.8128.5179.400000110.8K147 F149 S164K147-A162 HydrophobicContact CD-CB 4Å; F149-A162 HydrophobicContact CD1-CB 4.16Å; F149-A162 HydrophobicContact CE1-CB 3.97Å; A162-S164 VanDerWaalsContact C-N 3.3Å; A162-S164 PolarHBondContact O-N 2.73Å
163L95.3Very high95.3Very high103 Ų10352.4 Ų52.454%0.53931%0.313SS..SBendtrans-71.2-27.7-179.8-17266.1000112.2I148 R150 E161I148-L163 HydrophobicContact CB-CB 4.41Å; I148-L163 HydrophobicContact CB-CD2 4.36Å; I148-L163 HydrophobicContact CG2-CB 4.32Å; I148-L163 HydrophobicContact CG2-CD2 3.93Å; I148-L163 WeakPolarHBondContact O-CB 3.34Å; I148-L163 PolarHBondContact O-N 3.25Å; R150-L163 HydrophobicContact CB-CD1 4.4Å; E161-L163 PolarHBondContact O-N 3.14Å
164S95.3Very high95.3Very high52 Ų5252 Ų5236%0.36431%0.31SS..  trans-155.3171.2-179.369.20000113.2A162 S166A162-S164 VanDerWaalsContact C-N 3.3Å; A162-S164 PolarHBondContact O-N 2.73Å; S164-S166 PolarHBondContact O-N 2.85Å; S164-S166 PolarHBondContact OG-O 2.82Å; S164-S166 PolarHBondContact OG-OG 2.83Å
165L95.9Very high95.5Very high138 Ų13847.1 Ų47.172%0.72328%0.279SS*.SBendtrans-88.928175-57.7179000112.6D29D29-L165 VanDerWaalsContact CG-C 3.48Å; D29-L165 VanDerWaalsContact CG-O 3.26Å; D29-L165 PolarHBondContact N-O 3.15Å
166S96.9Very high95.6Very high26 Ų2647.8 Ų47.818%0.18227%0.273CS..EExtended strand (participates in β ladder)trans-139.7156-177.462.30000111.2V27 D29 S164V27-S166 CarbonylContact O-C 3.48Å; V27-S166 WeakPolarHBondContact O-CA 3.35Å; V27-S166 VanDerWaalsContact O-CB 3.3Å; V27-S166 WeakPolarHBondContact O-CB 3.07Å; D29-S166 PolarHBondContact OD1-N 2.84Å; S164-S166 PolarHBondContact O-N 2.85Å; S164-S166 PolarHBondContact OG-O 2.82Å; S164-S166 PolarHBondContact OG-OG 2.83Å
167Y98.3Very high95.3Very high47 Ų4747.7 Ų47.718%0.18428%0.281CS..EExtended strand (participates in β ladder)trans-96.9135.7165.4-71.6-107.7000109.1S26 V27 D29 L32 V145 Y146 K147S26-Y167 CarbonylContact C-O 3.49Å; S26-Y167 WeakPolarHBondContact CA-O 3.33Å; S26-Y167 WeakPolarHBondContact CB-O 3.37Å; V27-Y167 PolarHBondContact N-O 2.86Å; V27-Y167 PolarHBondContact O-N 3.18Å; D29-Y167 WeakPolarHBondContact OD1-CD2 3.42Å; D29-Y167 VanDerWaalsContact OD1-CE2 3.31Å; D29-Y167 WeakPolarHBondContact OD1-CE2 3.3Å; L32-Y167 HydrophobicContact CB-CD2 4.43Å; L32-Y167 HydrophobicContact CB-CE2 4.42Å; L32-Y167 HydrophobicContact CD1-CD1 3.92Å; L32-Y167 HydrophobicContact CD1-CD2 4.06Å; L32-Y167 HydrophobicContact CD1-CE1 4.17Å; L32-Y167 HydrophobicContact CD1-CE2 4.32Å; L32-Y167 HydrophobicContact CD1-CG 3.87Å; L32-Y167 HydrophobicContact CD2-CD1 4.47Å; L32-Y167 HydrophobicContact CD2-CD2 4.26Å; L32-Y167 HydrophobicContact CD2-CE1 3.91Å; L32-Y167 HydrophobicContact CD2-CE2 3.69Å; L32-Y167 VanDerWaalsContact CD2-CZ 3.49Å; L32-Y167 HydrophobicContact CG-CD2 4.48Å; L32-Y167 HydrophobicContact CG-CE2 4.36Å; V145-Y167 HydrophobicContact CG1-CD1 4.25Å; V145-Y167 HydrophobicContact CG1-CG 4.4Å; Y146-Y167 CarbonylContact O-C 3.57Å; Y146-Y167 WeakPolarHBondContact O-CA 3.33Å; K147-Y167 HydrophobicContact CB-CD1 3.92Å; K147-Y167 HydrophobicContact CB-CE1 3.77Å; K147-Y167 HydrophobicContact CB-CG 4.41Å
168L97.7Very high94.8Very high43 Ų4349.6 Ų49.623%0.22531%0.305CS..EExtended strand (participates in β ladder)trans-74.6138.1166-167.571.4000108.7G25 V145 Y146 E170G25-L168 WeakPolarHBondContact O-CD1 3.31Å; V145-L168 WeakPolarHBondContact CA-O 3.41Å; Y146-L168 HydrophobicContact CE1-CB 4.43Å; Y146-L168 HydrophobicContact CE1-CD2 4.15Å; Y146-L168 HydrophobicContact CE2-CD2 4.21Å; Y146-L168 PolarHBondContact N-O 3.47Å; Y146-L168 PolarHBondContact O-N 2.82Å; Y146-L168 WeakPolarHBondContact OH-CD2 3.36Å; L168-E170 HydrophobicContact CD2-CG 3.92Å; L168-E170 HydrophobicContact CG-CG 4.15Å
169V98.3Very high94.4Very high0 Ų046.9 Ų46.90%029%0.287CS..EExtended strand (participates in β ladder)trans-118.9119.8175.4-173.20000108Q24 G25 V27 L35 I143 M144 V145 V197 L199Q24-V169 CarbonylContact C-O 3.49Å; Q24-V169 WeakPolarHBondContact CA-O 3.29Å; G25-V169 PolarHBondContact N-O 2.75Å; G25-V169 PolarHBondContact O-N 2.85Å; V27-V169 HydrophobicContact CB-CG2 4.45Å; V27-V169 HydrophobicContact CG1-CG2 4.03Å; L35-V169 HydrophobicContact CD2-CG2 3.62Å; I143-V169 HydrophobicContact CG2-CG1 4.39Å; M144-V169 CarbonylContact O-C 3.58Å; M144-V169 WeakPolarHBondContact O-CA 3.22Å; V145-V169 HydrophobicContact CG1-CG2 4.36Å; V145-V169 HydrophobicContact CG2-CG1 4.17Å; V145-V169 HydrophobicContact CG2-CG2 4.34Å; V169-V197 HydrophobicContact CB-CG2 4.11Å; V169-V197 HydrophobicContact CG2-CG2 4.05Å; V169-L199 HydrophobicContact CB-CD2 3.92Å; V169-L199 HydrophobicContact CG1-CD2 3.75Å
170E97.9Very high93.6Very high19 Ų1949.8 Ų49.89%0.08930%0.3CS..EExtended strand (participates in β ladder)trans-118.8125.3177.9-54.6-166.2109.600109.7L22 Q24 I143 M144 Y146 L168L22-E170 HydrophobicContact CD1-CB 4.17Å; Q24-E170 HydrophobicContact CG-CG 4.04Å; Q24-E170 PolarHBondContact NE2-OE1 3.41Å; I143-E170 CarbonylContact C-O 3.59Å; I143-E170 VanDerWaalsContact CA-O 3.29Å; I143-E170 WeakPolarHBondContact CA-O 3.18Å; M144-E170 HydrophobicContact CE-CB 4.47Å; M144-E170 WeakPolarHBondContact CE-OE2 3.49Å; M144-E170 PolarHBondContact N-O 2.91Å; M144-E170 PolarHBondContact O-N 2.8Å; Y146-E170 HydrophobicContact CE1-CG 3.82Å; Y146-E170 WeakPolarHBondContact CE1-OE2 3.4Å; Y146-E170 PolarHBondContact OH-OE2 2.98Å; L168-E170 HydrophobicContact CD2-CG 3.92Å; L168-E170 HydrophobicContact CG-CG 4.15Å
171L98.2Very high93.3Very high0 Ų051.6 Ų51.60%031%0.311CS..EExtended strand (participates in β ladder)trans-106119.716617062.8000107.5L22 L23 M141 I143 M186 F189 L199L22-L171 WeakPolarHBondContact CA-O 3.23Å; L23-L171 HydrophobicContact CB-CB 4.39Å; L23-L171 HydrophobicContact CD1-CD2 4.25Å; L23-L171 PolarHBondContact N-O 2.82Å; L23-L171 PolarHBondContact O-N 2.84Å; M141-L171 HydrophobicContact CB-CD1 3.88Å; M141-L171 HydrophobicContact CG-CD1 4.24Å; M141-L171 HydrophobicContact SD-CD1 4.17Å; I143-L171 HydrophobicContact CD1-CD1 3.93Å; I143-L171 HydrophobicContact CG1-CD1 3.72Å; L171-M186 HydrophobicContact CD2-CB 4.03Å; L171-M186 HydrophobicContact CD2-CE 4.35Å; L171-M186 HydrophobicContact CD2-CG 4.27Å; L171-M186 WeakPolarHBondContact CD2-O 3.48Å; L171-M186 HydrophobicContact CG-CE 3.81Å; L171-M186 HydrophobicContact CG-CG 4.38Å; L171-M186 WeakPolarHBondContact O-CE 3.15Å; L171-F189 HydrophobicContact CD1-CD1 4.32Å; L171-F189 HydrophobicContact CD2-CB 4.4Å; L171-F189 HydrophobicContact CD2-CD1 3.86Å; L171-L199 HydrophobicContact CB-CD1 3.79Å; L171-L199 HydrophobicContact CD2-CD1 4.25Å
172S96.9Very high93.1Very high4 Ų448.6 Ų48.63%0.02830%0.298CS..EExtended strand (participates in β ladder)trans-133.9148.1-177.456.30000112.8Y21 K142Y21-S172 CarbonylContact O-C 3.59Å; Y21-S172 WeakPolarHBondContact O-CA 3.47Å; K142-S172 WeakPolarHBondContact CE-OG 3.11Å; K142-S172 PolarHBondContact N-O 3.24Å; K142-S172 PolarHBondContact O-N 3.14Å; K142-S172 PolarHBondContact O-OG 3.22Å
173V96.4Very high92.7Very high3 Ų346.6 Ų46.62%0.01828%0.281CS..EExtended strand (participates in β ladder)trans-134.3137.8170.7175.70000107.9E20 Y21 I140 M141 A175 V182 M186E20-V173 WeakPolarHBondContact CA-O 3.48Å; Y21-V173 PolarHBondContact N-O 2.79Å; Y21-V173 PolarHBondContact O-N 3.45Å; I140-V173 HydrophobicContact CD1-CG1 3.63Å; I140-V173 HydrophobicContact CG1-CG1 3.95Å; I140-V173 HydrophobicContact CG1-CG2 4.46Å; M141-V173 HydrophobicContact CB-CG2 4.32Å; M141-V173 HydrophobicContact CG-CG2 3.79Å; V173-A175 HydrophobicContact CG1-CB 4.22Å; V173-V182 HydrophobicContact CB-CG1 3.7Å; V173-V182 HydrophobicContact CG1-CG1 3.62Å; V173-V182 HydrophobicContact CG2-CG1 4.04Å; V173-M186 HydrophobicContact CB-SD 4.1Å; V173-M186 HydrophobicContact CG2-CG 3.94Å; V173-M186 HydrophobicContact CG2-SD 3.84Å
174V94.1Very high92.6Very high67 Ų6745.5 Ų45.541%0.40628%0.275SS..EExtended strand (participates in β ladder)trans-109.8116.2171.1-179.40000107.7M18 M19M18-V174 HydrophobicContact CB-CG1 3.82Å; M18-V174 HydrophobicContact CE-CG1 3.8Å; M18-V174 HydrophobicContact CG-CG1 4.41Å; M19-V174 WeakPolarHBondContact O-CA 3.36Å
175A92.8Very high92.6Very high6 Ų647.1 Ų47.15%0.0528%0.28CS..EExtended strand (participates in β ladder)trans-142.1159.8-175.300000111M19 Y21 V173 Q179 V182M19-A175 PolarHBondContact N-O 3.26Å; M19-A175 PolarHBondContact O-N 2.9Å; Y21-A175 HydrophobicContact CE2-CB 4.22Å; V173-A175 HydrophobicContact CG1-CB 4.22Å; A175-Q179 HydrophobicContact CB-CG 4.45Å; A175-V182 HydrophobicContact CB-CG2 4.26Å
176P90.8Very high92.5Very high70 Ų7040.6 Ų40.646%0.45525%0.246SC..EExtended strand (participates in β ladder)trans-56.4153170.6-23.334.4000111.8M18 Q179M18-P176 HydrophobicContact SD-CG 4.1Å; P176-Q179 VanDerWaalsContact O-CG 3.22Å; P176-Q179 WeakPolarHBondContact O-CG 3.43Å
177A85.9Confident92.5Very high59 Ų5942.8 Ų42.849%0.48825%0.252SS..THydrogen-bonded Turntrans-57.8148.3177.100000113.3N17 M19N17-A177 PolarHBondContact O-N 3.46Å; M19-A177 HydrophobicContact CG-CB 3.77Å; M19-A177 HydrophobicContact SD-CB 4.44Å
178G82Confident92.3Very high61 Ų6145 Ų4563%0.62927%0.267SS*.THydrogen-bonded Turntrans84.414.2175.500000115.7D180G178-D180 PolarHBondContact O-N 2.96Å
179Q83.8Confident92.3Very high83 Ų8343.1 Ų43.139%0.38826%0.257SS..  trans-91.276.2-179.8-65.4-70.5-16.400111.3Y21 A175 P176 V181 V182Y21-Q179 PolarHBondContact OH-N 3.24Å; Y21-Q179 PolarHBondContact OH-O 3.47Å; Y21-Q179 VanDerWaalsContact OH-O 3.1Å; A175-Q179 HydrophobicContact CB-CG 4.45Å; P176-Q179 VanDerWaalsContact O-CG 3.22Å; P176-Q179 WeakPolarHBondContact O-CG 3.43Å; Q179-V181 VanDerWaalsContact C-N 3.28Å; Q179-V181 PolarHBondContact O-N 2.76Å; Q179-V182 HydrophobicContact CB-CG2 3.8Å; Q179-V182 WeakPolarHBondContact O-CB 3.4Å; Q179-V182 PolarHBondContact O-N 3Å
180D79.8Confident92.3Very high95 Ų9543.4 Ų43.451%0.50826%0.259SS..Hα-helixtrans-63.3-33.3-175.3-67.9-28.8000113.2G178 V182 S183G178-D180 PolarHBondContact O-N 2.96Å; D180-V182 PolarHBondContact O-N 2.98Å; D180-V182 VanDerWaalsContact O-N 3.1Å; D180-S183 WeakPolarHBondContact O-CB 3.49Å; D180-S183 PolarHBondContact O-N 3.35Å
181V89.4Confident92.2Very high87 Ų8746.7 Ų46.753%0.52728%0.275SS..Hα-helixtrans-55.1-30.3177.6-63.10000113.2Q179 S183 D184 D185Q179-V181 VanDerWaalsContact C-N 3.28Å; Q179-V181 PolarHBondContact O-N 2.76Å; V181-S183 VanDerWaalsContact C-N 3.29Å; V181-S183 PolarHBondContact O-N 3.31Å; V181-D184 PolarHBondContact O-N 2.85Å; V181-D185 PolarHBondContact O-N 3.25Å
182V91.9Very high92.2Very high12 Ų1250.5 Ų50.57%0.07329%0.293CS..Hα-helixtrans-61.6-40.2178.6172.70000110.9Y21 V173 A175 Q179 D180 D184 M186Y21-V182 HydrophobicContact CD1-CB 4.24Å; Y21-V182 HydrophobicContact CD1-CG1 3.9Å; Y21-V182 HydrophobicContact CD2-CG1 3.9Å; Y21-V182 HydrophobicContact CE1-CB 4.19Å; Y21-V182 HydrophobicContact CE1-CG1 4.32Å; Y21-V182 HydrophobicContact CE2-CG1 4.34Å; Y21-V182 HydrophobicContact CG-CB 4.43Å; Y21-V182 HydrophobicContact CG-CG1 3.69Å; V173-V182 HydrophobicContact CB-CG1 3.7Å; V173-V182 HydrophobicContact CG1-CG1 3.62Å; V173-V182 HydrophobicContact CG2-CG1 4.04Å; A175-V182 HydrophobicContact CB-CG2 4.26Å; Q179-V182 HydrophobicContact CB-CG2 3.8Å; Q179-V182 WeakPolarHBondContact O-CB 3.4Å; Q179-V182 PolarHBondContact O-N 3Å; D180-V182 PolarHBondContact O-N 2.98Å; D180-V182 VanDerWaalsContact O-N 3.1Å; V182-D184 VanDerWaalsContact C-N 3.33Å; V182-D184 PolarHBondContact O-N 2.99Å; V182-M186 HydrophobicContact CG1-CG 4.37Å; V182-M186 HydrophobicContact CG1-SD 3.9Å; V182-M186 WeakPolarHBondContact O-CB 3.23Å; V182-M186 WeakPolarHBondContact O-CG 3.28Å; V182-M186 PolarHBondContact O-N 3.43Å
183S90.2Very high92.2Very high4 Ų450.4 Ų50.43%0.02829%0.292CS..Hα-helixtrans-67.8-34.7-179.4-172.20000112.1H99 A100 D180 V181 K187H99-S183 WeakPolarHBondContact CB-OG 3.32Å; H99-S183 PolarHBondContact N-OG 3.41Å; H99-S183 VanDerWaalsContact N-OG 3.1Å; A100-S183 PolarHBondContact N-OG 2.81Å; A100-S183 VanDerWaalsContact N-OG 3.13Å; D180-S183 WeakPolarHBondContact O-CB 3.49Å; D180-S183 PolarHBondContact O-N 3.35Å; V181-S183 VanDerWaalsContact C-N 3.29Å; V181-S183 PolarHBondContact O-N 3.31Å; S183-K187 WeakPolarHBondContact O-CB 3.4Å; S183-K187 PolarHBondContact O-N 3.3Å; S183-K187 VanDerWaalsContact O-N 3.12Å
184D92.1Very high92.2Very high79 Ų7954.4 Ų54.442%0.42231%0.309SS..Hα-helixtrans-72.3-44.4178-72.1-27.9000111.3H99 V181 V182 M186 K187 N188H99-D184 IonicContact CD2-OD1 3.44Å; H99-D184 PolarHBondContact CD2-OD1 3.42Å; H99-D184 IonicContact NE2-OD1 3.32Å; V181-D184 PolarHBondContact O-N 2.85Å; V182-D184 VanDerWaalsContact C-N 3.33Å; V182-D184 PolarHBondContact O-N 2.99Å; D184-M186 VanDerWaalsContact C-N 3.35Å; D184-M186 PolarHBondContact O-N 2.89Å; D184-K187 PolarHBondContact O-N 2.91Å; D184-N188 WeakPolarHBondContact O-CB 3.45Å; D184-N188 VanDerWaalsContact O-CG 3.23Å; D184-N188 PolarHBondContact O-N 3.45Å; D184-N188 PolarHBondContact O-ND2 3.33Å
185D94.6Very high92.2Very high87 Ų8756.4 Ų56.447%0.46532%0.323SS..Hα-helixtrans-62-42.8176.1-74.3-18.8000111.7M141 V181 K187 N188 F189M141-D185 HydrophobicContact CE-CB 3.57Å; V181-D185 PolarHBondContact O-N 3.25Å; D185-K187 VanDerWaalsContact C-N 3.33Å; D185-K187 PolarHBondContact O-N 3.33Å; D185-N188 PolarHBondContact O-N 3.29Å; D185-F189 PolarHBondContact O-N 3.02Å
186M95.8Very high92.3Very high0 Ų059.1 Ų59.10%034%0.337CS..Hα-helixtrans-61.4-41.6175.1-75.9176.675.300112Y21 L23 A100 L171 V173 V182 D184 F189 A190Y21-M186 WeakPolarHBondContact CB-SD 3.31Å; Y21-M186 HydrophobicContact CG-SD 4.4Å; Y21-M186 WeakPolarHBondContact O-CE 3.49Å; L23-M186 HydrophobicContact CD1-CB 4.16Å; L23-M186 HydrophobicContact CG-CE 4.13Å; A100-M186 HydrophobicContact CB-CE 4.42Å; A100-M186 HydrophobicContact CB-SD 4.4Å; L171-M186 HydrophobicContact CD2-CB 4.03Å; L171-M186 HydrophobicContact CD2-CE 4.35Å; L171-M186 HydrophobicContact CD2-CG 4.27Å; L171-M186 WeakPolarHBondContact CD2-O 3.48Å; L171-M186 HydrophobicContact CG-CE 3.81Å; L171-M186 HydrophobicContact CG-CG 4.38Å; L171-M186 WeakPolarHBondContact O-CE 3.15Å; V173-M186 HydrophobicContact CB-SD 4.1Å; V173-M186 HydrophobicContact CG2-CG 3.94Å; V173-M186 HydrophobicContact CG2-SD 3.84Å; V182-M186 HydrophobicContact CG1-CG 4.37Å; V182-M186 HydrophobicContact CG1-SD 3.9Å; V182-M186 WeakPolarHBondContact O-CB 3.23Å; V182-M186 WeakPolarHBondContact O-CG 3.28Å; V182-M186 PolarHBondContact O-N 3.43Å; D184-M186 VanDerWaalsContact C-N 3.35Å; D184-M186 PolarHBondContact O-N 2.89Å; M186-F189 PolarHBondContact O-N 2.89Å; M186-A190 WeakPolarHBondContact O-CB 3.29Å; M186-A190 PolarHBondContact O-N 3.16Å
187K94.9Very high92.6Very high73 Ų7355.9 Ų55.932%0.31732%0.315SS..Hα-helixtrans-63.7-47174.9174.9178.9171.3-161.80111.3H99 S183 D184 D185 F189 A190 E191H99-K187 HydrophobicContact CB-CB 4.06Å; H99-K187 HydrophobicContact CB-CD 4.03Å; H99-K187 WeakPolarHBondContact CD2-CD 3.43Å; H99-K187 PolarHBondContact CE1-NZ 3.13Å; H99-K187 VanDerWaalsContact CG-CD 3.4Å; H99-K187 WeakPolarHBondContact NE2-CD 3.4Å; H99-K187 PolarHBondContact NE2-NZ 2.75Å; S183-K187 WeakPolarHBondContact O-CB 3.4Å; S183-K187 PolarHBondContact O-N 3.3Å; S183-K187 VanDerWaalsContact O-N 3.12Å; D184-K187 PolarHBondContact O-N 2.91Å; D185-K187 VanDerWaalsContact C-N 3.33Å; D185-K187 PolarHBondContact O-N 3.33Å; K187-F189 PolarHBondContact O-N 3.38Å; K187-A190 WeakPolarHBondContact O-CB 3.45Å; K187-A190 PolarHBondContact O-N 3.31Å; K187-A190 VanDerWaalsContact O-N 3.07Å; K187-E191 HydrophobicContact CG-CG 4.43Å; K187-E191 WeakPolarHBondContact O-CG 3.35Å; K187-E191 PolarHBondContact O-N 3.36Å
188N95.9Very high93.1Very high92 Ų9258 Ų5849%0.49232%0.315SS..Hα-helixtrans-59.7-36178.8-70.7-28.9000112D184 D185 Q192D184-N188 WeakPolarHBondContact O-CB 3.45Å; D184-N188 VanDerWaalsContact O-CG 3.23Å; D184-N188 PolarHBondContact O-N 3.45Å; D184-N188 PolarHBondContact O-ND2 3.33Å; D185-N188 PolarHBondContact O-N 3.29Å; N188-Q192 WeakPolarHBondContact O-CG 3.38Å; N188-Q192 PolarHBondContact O-NE2 2.87Å
189F97.1Very high93.8Very high5 Ų555.7 Ų55.72%0.02229%0.288CS..Hα-helixtrans-68.9-46.3171.9-173.7-87.7000111.9L39 L42 K138 M141 I143 L171 D185 M186 K187 E191 Q192 L193L39-F189 HydrophobicContact CD2-CE1 4.18Å; L39-F189 HydrophobicContact CD2-CZ 4.03Å; L42-F189 HydrophobicContact CB-CE2 3.91Å; L42-F189 HydrophobicContact CB-CZ 4.17Å; L42-F189 HydrophobicContact CD1-CE2 4.34Å; L42-F189 HydrophobicContact CD1-CZ 4.27Å; K138-F189 HydrophobicContact CD-CD2 3.78Å; K138-F189 HydrophobicContact CD-CE2 3.55Å; M141-F189 HydrophobicContact CE-CB 4.44Å; M141-F189 HydrophobicContact SD-CB 3.92Å; M141-F189 HydrophobicContact SD-CD2 4.24Å; M141-F189 HydrophobicContact SD-CG 4.04Å; I143-F189 HydrophobicContact CD1-CE1 4.04Å; I143-F189 HydrophobicContact CD1-CZ 3.95Å; I143-F189 HydrophobicContact CG1-CE1 3.73Å; I143-F189 HydrophobicContact CG1-CZ 4.04Å; L171-F189 HydrophobicContact CD1-CD1 4.32Å; L171-F189 HydrophobicContact CD2-CB 4.4Å; L171-F189 HydrophobicContact CD2-CD1 3.86Å; D185-F189 PolarHBondContact O-N 3.02Å; M186-F189 PolarHBondContact O-N 2.89Å; K187-F189 PolarHBondContact O-N 3.38Å; F189-E191 VanDerWaalsContact C-N 3.32Å; F189-E191 PolarHBondContact O-N 3.29Å; F189-Q192 WeakPolarHBondContact O-CB 3.47Å; F189-Q192 PolarHBondContact O-N 3.45Å; F189-Q192 VanDerWaalsContact O-N 3.08Å; F189-L193 HydrophobicContact CD1-CD1 4.28Å; F189-L193 HydrophobicContact CE1-CD1 3.93Å; F189-L193 HydrophobicContact CE1-CG 4.31Å
190A97.1Very high94.2Very high5 Ų558.1 Ų58.14%0.04130%0.3CS..Hα-helixtrans-59.1-38.7178.500000113.1L23 M186 K187 Q192 L193 L199L23-A190 HydrophobicContact CD1-CB 4.01Å; M186-A190 WeakPolarHBondContact O-CB 3.29Å; M186-A190 PolarHBondContact O-N 3.16Å; K187-A190 WeakPolarHBondContact O-CB 3.45Å; K187-A190 PolarHBondContact O-N 3.31Å; K187-A190 VanDerWaalsContact O-N 3.07Å; A190-Q192 PolarHBondContact O-N 3.05Å; A190-L193 WeakPolarHBondContact O-CB 3.38Å; A190-L193 PolarHBondContact O-N 3.5Å; A190-L193 VanDerWaalsContact O-N 3.08Å; A190-L199 HydrophobicContact CB-CB 3.92Å; A190-L199 HydrophobicContact CB-CD1 4.17Å; A190-L199 HydrophobicContact CB-CG 4.49Å
191E97.3Very high94.7Very high88 Ų8857 Ų5741%0.41129%0.29SS..Hα-helixtrans-60.6-32.6175.7-70.4-58144.500112.3K187 F189 L193 K194K187-E191 HydrophobicContact CG-CG 4.43Å; K187-E191 WeakPolarHBondContact O-CG 3.35Å; K187-E191 PolarHBondContact O-N 3.36Å; F189-E191 VanDerWaalsContact C-N 3.32Å; F189-E191 PolarHBondContact O-N 3.29Å; E191-L193 PolarHBondContact O-N 2.98Å; E191-K194 PolarHBondContact O-N 2.62Å; E191-K194 IonicContact OE1-NZ 2.71Å; E191-K194 PolarHBondContact OE1-NZ 2.94Å; E191-K194 WeakPolarHBondContact OE2-CD 3.42Å; E191-K194 VanDerWaalsContact OE2-CE 3.3Å; E191-K194 WeakPolarHBondContact OE2-CE 3.31Å; E191-K194 IonicContact OE2-NZ 2.75Å; E191-K194 PolarHBondContact OE2-NZ 3.09Å
192Q97.1Very high94.4Very high81 Ų8154 Ų5438%0.37927%0.271SS..THydrogen-bonded Turntrans-73-11178.3-66.5171.365.200113.6R38 L42 N188 F189 A190R38-Q192 PolarHBondContact NE-O 3.4Å; R38-Q192 PolarHBondContact NH2-O 2.95Å; L42-Q192 HydrophobicContact CD1-CB 4.02Å; L42-Q192 HydrophobicContact CD2-CB 4.19Å; L42-Q192 VanDerWaalsContact CD2-OE1 3.24Å; N188-Q192 WeakPolarHBondContact O-CG 3.38Å; N188-Q192 PolarHBondContact O-NE2 2.87Å; F189-Q192 WeakPolarHBondContact O-CB 3.47Å; F189-Q192 PolarHBondContact O-N 3.45Å; F189-Q192 VanDerWaalsContact O-N 3.08Å; A190-Q192 PolarHBondContact O-N 3.05Å
193L97.3Very high93.4Very high1 Ų157.1 Ų57.11%0.00529%0.287CS..THydrogen-bonded Turntrans-91.9-11.5175.3-62.4177.7000113L35 R38 L39 L42 F189 A190 E191 L196 V197 L199L35-L193 HydrophobicContact CD1-CD2 4.19Å; R38-L193 HydrophobicContact CG-CD2 4.23Å; L39-L193 HydrophobicContact CD2-CD1 4.39Å; L39-L193 HydrophobicContact CD2-CD2 3.71Å; L39-L193 HydrophobicContact CG-CD2 4.24Å; L42-L193 HydrophobicContact CD1-CD2 3.59Å; L42-L193 HydrophobicContact CD1-CG 4.37Å; F189-L193 HydrophobicContact CD1-CD1 4.28Å; F189-L193 HydrophobicContact CE1-CD1 3.93Å; F189-L193 HydrophobicContact CE1-CG 4.31Å; A190-L193 WeakPolarHBondContact O-CB 3.38Å; A190-L193 PolarHBondContact O-N 3.5Å; A190-L193 VanDerWaalsContact O-N 3.08Å; E191-L193 PolarHBondContact O-N 2.98Å; L193-L196 WeakPolarHBondContact O-CB 3.3Å; L193-L196 PolarHBondContact O-N 2.96Å; L193-V197 HydrophobicContact CB-CG1 3.63Å; L193-V197 HydrophobicContact CD1-CG1 3.87Å; L193-V197 HydrophobicContact CG-CG1 4.31Å; L193-V197 PolarHBondContact O-N 3.43Å; L193-L199 HydrophobicContact CD1-CD1 3.65Å; L193-L199 HydrophobicContact CD1-CG 4.36Å
194K96.1Very high92.1Very high87 Ų8758 Ų5838%0.37829%0.293SS..THydrogen-bonded Turntrans-70.4144.3174.3-65.8-176.9-172.3166.10110.7E191E191-K194 PolarHBondContact O-N 2.62Å; E191-K194 IonicContact OE1-NZ 2.71Å; E191-K194 PolarHBondContact OE1-NZ 2.94Å; E191-K194 WeakPolarHBondContact OE2-CD 3.42Å; E191-K194 VanDerWaalsContact OE2-CE 3.3Å; E191-K194 WeakPolarHBondContact OE2-CE 3.31Å; E191-K194 IonicContact OE2-NZ 2.75Å; E191-K194 PolarHBondContact OE2-NZ 3.09Å
195P94.8Very high90.5Very high109 Ų10961.8 Ų61.871%0.70831%0.306SS*.THydrogen-bonded Turncis-88.82.81.636.1-36000114.4V197P195-V197 PolarHBondContact O-N 3.26Å
196L95.4Very high88.8Confident64 Ų6467.5 Ų67.534%0.33532%0.321SS..THydrogen-bonded Turntrans-61.8-41.3-171.8-62.1174000112.8L35 R38 L193L35-L196 HydrophobicContact CD1-CB 4.44Å; R38-L196 HydrophobicContact CB-CD1 3.8Å; R38-L196 HydrophobicContact CG-CD1 4.08Å; L193-L196 WeakPolarHBondContact O-CB 3.3Å; L193-L196 PolarHBondContact O-N 2.96Å
197V96.7Very high86.8Confident1 Ų170.2 Ų70.21%0.00634%0.335CS..  trans-142.4140.4173.360.80000110L35 V169 L193 P195 L199L35-V197 HydrophobicContact CD1-CG1 3.76Å; L35-V197 HydrophobicContact CD2-CG1 4.47Å; V169-V197 HydrophobicContact CB-CG2 4.11Å; V169-V197 HydrophobicContact CG2-CG2 4.05Å; L193-V197 HydrophobicContact CB-CG1 3.63Å; L193-V197 HydrophobicContact CD1-CG1 3.87Å; L193-V197 HydrophobicContact CG-CG1 4.31Å; L193-V197 PolarHBondContact O-N 3.43Å; P195-V197 PolarHBondContact O-N 3.26Å; V197-L199 HydrophobicContact CG1-CD2 4.49Å; V197-L199 HydrophobicContact CG1-CG 4.38Å; V197-L199 HydrophobicContact CG2-CD2 3.79Å; V197-L199 HydrophobicContact CG2-CG 4.32Å
198H96.2Very high84.1Confident103 Ų10375.2 Ų75.248%0.47736%0.361SS..  trans-102.7106.1173-63.178000107.4G25G25-H198 WeakPolarHBondContact CA-O 3.28Å
199L96.4Very high83.5Confident14 Ų1474.4 Ų74.47%0.07336%0.355CS..  trans-93.2124.2176.3-60.9-178.2000109.6L23 Q24 G25 V169 L171 A190 L193 V197L23-L199 HydrophobicContact CB-CB 4Å; Q24-L199 WeakPolarHBondContact O-CA 3.42Å; G25-L199 VanDerWaalsContact N-CD2 3.35Å; V169-L199 HydrophobicContact CB-CD2 3.92Å; V169-L199 HydrophobicContact CG1-CD2 3.75Å; L171-L199 HydrophobicContact CB-CD1 3.79Å; L171-L199 HydrophobicContact CD2-CD1 4.25Å; A190-L199 HydrophobicContact CB-CB 3.92Å; A190-L199 HydrophobicContact CB-CD1 4.17Å; A190-L199 HydrophobicContact CB-CG 4.49Å; L193-L199 HydrophobicContact CD1-CD1 3.65Å; L193-L199 HydrophobicContact CD1-CG 4.36Å; V197-L199 HydrophobicContact CG1-CD2 4.49Å; V197-L199 HydrophobicContact CG1-CG 4.38Å; V197-L199 HydrophobicContact CG2-CD2 3.79Å; V197-L199 HydrophobicContact CG2-CG 4.32Å
200E92.5Very high82.8Confident134 Ų13478 Ų7863%0.62637%0.372SS*.BIsolated β-bridgetrans-135.3162.6-175.2-61.8-173.4161.900111.3Q24 I202Q24-E200 PolarHBondContact N-O 3.03Å; Q24-E200 PolarHBondContact O-N 3.27Å; E200-I202 PolarHBondContact O-N 3.35Å
201K89.4Confident82Confident72 Ų7282.1 Ų82.131%0.31339%0.391SS..PPolyproline II helixtrans-69.2121.9167.8176.7173.5-176165.70109H99 A100 L101H99-K201 WeakPolarHBondContact O-CB 3.29Å; A100-K201 WeakPolarHBondContact O-CD 3.38Å; A100-K201 PolarHBondContact O-NZ 2.97Å; L101-K201 HydrophobicContact CB-CG 4.08Å
202I82.6Confident81.1Confident23 Ų2381.7 Ų81.712%0.11839%0.39CS..PPolyproline II helixtrans-72.4144.8176.6-39.4154.4000109.4L22 Q24 E200 P204 R206 L207L22-I202 HydrophobicContact CD2-CD1 4.02Å; Q24-I202 HydrophobicContact CB-CD1 3.94Å; Q24-I202 HydrophobicContact CB-CG1 3.74Å; Q24-I202 HydrophobicContact CG-CD1 3.54Å; Q24-I202 HydrophobicContact CG-CG1 3.94Å; E200-I202 PolarHBondContact O-N 3.35Å; I202-P204 WeakPolarHBondContact O-CD 2.79Å; I202-R206 HydrophobicContact CG2-CB 4.34Å; I202-L207 HydrophobicContact CB-CD1 4.43Å; I202-L207 HydrophobicContact CD1-CD1 4.09Å; I202-L207 HydrophobicContact CD1-CD2 4.2Å; I202-L207 HydrophobicContact CD1-CG 4.35Å; I202-L207 HydrophobicContact CG2-CG 4.45Å
203D71.2Confident80.1Confident78 Ų7881.8 Ų81.842%0.41739%0.39SS..PPolyproline II helixtrans-63.5121.1164.6-173.6-15.9000110.2K205 R206D203-K205 PolarHBondContact O-N 3.02Å; D203-K205 WeakPolarHBondContact OD1-CB 3.47Å; D203-K205 WeakPolarHBondContact OD1-CG 3.37Å; D203-K205 PolarHBondContact OD1-N 2.95Å; D203-R206 HydrophobicContact CB-CG 4.11Å; D203-R206 WeakPolarHBondContact O-CB 3.4Å; D203-R206 PolarHBondContact O-N 2.78Å
204P63.7Low79Confident23 Ų2387.1 Ų87.115%0.14942%0.416CS..G310 helixtrans-49.7-30.3174.8-29.937.7000114.4P91 I202 R206 L207P91-P204 HydrophobicContact CB-CB 4.04Å; P91-P204 HydrophobicContact CB-CG 3.69Å; P91-P204 HydrophobicContact CG-CB 3.81Å; P91-P204 HydrophobicContact CG-CG 3.96Å; I202-P204 WeakPolarHBondContact O-CD 2.79Å; P204-R206 PolarHBondContact O-N 3.28Å; P204-L207 PolarHBondContact O-N 2.86Å
205K59.2Low77.8Confident157 Ų15787.1 Ų87.168%0.68342%0.419SS*.G310 helixtrans-70.1-15.9179.2-63.2178.4-179.51790113.7D203D203-K205 PolarHBondContact O-N 3.02Å; D203-K205 WeakPolarHBondContact OD1-CB 3.47Å; D203-K205 WeakPolarHBondContact OD1-CG 3.37Å; D203-K205 PolarHBondContact OD1-N 2.95Å
206R58.2Low76.4Confident208 Ų20885.5 Ų85.579%0.78540%0.396SS*.G310 helixtrans-91.9-5.5176.9-62.4-178.866.6-170.9-1.1112.8I202 D203 P204I202-R206 HydrophobicContact CG2-CB 4.34Å; D203-R206 HydrophobicContact CB-CG 4.11Å; D203-R206 WeakPolarHBondContact O-CB 3.4Å; D203-R206 PolarHBondContact O-N 2.78Å; P204-R206 PolarHBondContact O-N 3.28Å
207L53.1Low74.9Confident56 Ų5687.3 Ų87.329%0.29340%0.401SS..  trans-98.1-8.8179.5-79.3157.7000113.3L101 I202 P204L101-L207 HydrophobicContact CD1-CD1 3.61Å; I202-L207 HydrophobicContact CB-CD1 4.43Å; I202-L207 HydrophobicContact CD1-CD1 4.09Å; I202-L207 HydrophobicContact CD1-CD2 4.2Å; I202-L207 HydrophobicContact CD1-CG 4.35Å; I202-L207 HydrophobicContact CG2-CG 4.45Å; P204-L207 PolarHBondContact O-N 2.86Å
208M39.1Very low72.9Confident178 Ų17895.1 Ų95.188%0.87744%0.437SS*.  trans-111.80-177.8-65.6-172-177.300111.6Q90Q90-M208 HydrophobicContact CG-CE 4.14Å

Retrieved 208 of 208 residues in 106.6 ms (Link to these results)