A0A087Y2Q5_POEFO Loading...

Integrator complex subunit 9

AlphaFold DB , UniProt , Accession A0A087Y2Q5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 660 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M88.9Confident91.5Very high51 Ų5124.9 Ų24.925%0.25113%0.133SC..  0142.50-172.1-175.5-68.100107.9L17 K18 F19 V236 L509 F511M1-L17 HydrophobicContact CG-CD1 3.76Å; M1-L17 HydrophobicContact CG-CG 4.49Å; M1-L17 HydrophobicContact SD-CD1 3.65Å; M1-L17 HydrophobicContact SD-CD2 4.48Å; M1-L17 HydrophobicContact SD-CG 4.38Å; M1-K18 WeakPolarHBondContact CA-O 3.2Å; M1-K18 VanDerWaalsContact CG-O 3.29Å; M1-K18 WeakPolarHBondContact CG-O 3.45Å; M1-F19 HydrophobicContact CE-CB 4.22Å; M1-F19 HydrophobicContact CE-CD1 4.01Å; M1-F19 HydrophobicContact CE-CD2 3.1Å; M1-F19 HydrophobicContact CE-CE1 4.15Å; M1-F19 HydrophobicContact CE-CE2 3.27Å; M1-F19 HydrophobicContact CE-CG 3.52Å; M1-F19 HydrophobicContact CE-CZ 3.82Å; M1-F19 HydrophobicContact CG-CB 4.38Å; M1-F19 HydrophobicContact SD-CD2 4.43Å; M1-F19 HydrophobicContact SD-CG 4.46Å; M1-V236 HydrophobicContact CE-CG2 3.69Å; M1-V236 HydrophobicContact SD-CG2 3.74Å; M1-L509 HydrophobicContact CB-CB 4.29Å; M1-L509 HydrophobicContact CB-CD1 4.5Å; M1-L509 HydrophobicContact CG-CD1 3.96Å; M1-L509 PolarHBondContact O-N 3.24Å; M1-L509 VanDerWaalsContact O-N 3.11Å; M1-L509 HydrophobicContact SD-CD1 3.59Å; M1-L509 VanDerWaalsContact SD-CD1 3.59Å; M1-F511 HydrophobicContact CB-CD2 3.62Å; M1-F511 HydrophobicContact CB-CE2 3.63Å; M1-F511 HydrophobicContact CE-CD2 4.23Å; M1-F511 HydrophobicContact CE-CE1 4.04Å; M1-F511 HydrophobicContact CE-CE2 3.48Å; M1-F511 VanDerWaalsContact CE-CE2 3.48Å; M1-F511 HydrophobicContact CE-CZ 3.37Å; M1-F511 HydrophobicContact CG-CE2 4.08Å; M1-F511 HydrophobicContact SD-CD2 4.24Å; M1-F511 HydrophobicContact SD-CE2 3.29Å; M1-F511 WeakPolarHBondContact SD-CE2 3.46Å; M1-F511 HydrophobicContact SD-CZ 3.62Å
2K93.7Very high91.5Very high92 Ų9224.1 Ų24.140%0.413%0.128SC..EExtended strand (participates in β ladder)trans-128140.8179.1-68.3-173.8178.7-176.40110.6Y4 K18 V506 L507 N508K2-Y4 HydrophobicContact CB-CD2 4.45Å; K2-Y4 HydrophobicContact CB-CE2 3.75Å; K2-K18 HydrophobicContact CB-CB 4.48Å; K2-K18 PolarHBondContact N-O 3.45Å; K2-K18 VanDerWaalsContact N-O 3.17Å; K2-K18 PolarHBondContact O-N 3.3Å; K2-V506 HydrophobicContact CD-CG1 4.43Å; K2-L507 CarbonylContact C-O 3.57Å; K2-L507 WeakPolarHBondContact CA-O 3.49Å; K2-N508 VanDerWaalsContact CE-OD1 3.25Å; K2-N508 WeakPolarHBondContact CE-OD1 3.23Å; K2-N508 WeakPolarHBondContact CG-OD1 3.48Å
3L96.1Very high91.6Very high0 Ų022.3 Ų22.30%012%0.119CC..EExtended strand (participates in β ladder)trans-114124.4173.2-172.471.5000109N15 V16 L17 I264 V472 V506 L507 L509L3-N15 HydrophobicContact CD1-CB 4.02Å; L3-V16 CarbonylContact C-O 3.44Å; L3-V16 WeakPolarHBondContact CA-O 3.48Å; L3-L17 HydrophobicContact CD1-CB 4.25Å; L3-L17 HydrophobicContact CD1-CD1 4.05Å; L3-I264 HydrophobicContact CD1-CD1 3.91Å; L3-I264 HydrophobicContact CD2-CD1 4.24Å; L3-V472 HydrophobicContact CD2-CG1 3.71Å; L3-V506 CarbonylContact O-C 3.53Å; L3-V506 WeakPolarHBondContact O-CA 3.45Å; L3-L507 HydrophobicContact CB-CB 4.35Å; L3-L507 PolarHBondContact N-O 3.17Å; L3-L507 PolarHBondContact O-N 2.98Å; L3-L509 HydrophobicContact CB-CD1 4.36Å; L3-L509 HydrophobicContact CB-CG 4.48Å
4Y96.6Very high91.9Very high31 Ų3120.7 Ų20.712%0.12211%0.111CC..EExtended strand (participates in β ladder)trans-106.8125.4176.9-61.4-103.9000108.4K2 N15 V16 K18 L92 V506K2-Y4 HydrophobicContact CB-CD2 4.45Å; K2-Y4 HydrophobicContact CB-CE2 3.75Å; Y4-N15 CarbonylContact O-C 3.47Å; Y4-N15 WeakPolarHBondContact O-CA 3.46Å; Y4-V16 PolarHBondContact N-O 3.26Å; Y4-V16 PolarHBondContact O-N 3.49Å; Y4-K18 HydrophobicContact CD2-CG 4.34Å; Y4-K18 HydrophobicContact CE2-CB 4.28Å; Y4-K18 HydrophobicContact CE2-CD 3.66Å; Y4-K18 HydrophobicContact CE2-CG 3.74Å; Y4-L92 HydrophobicContact CD1-CD2 4.09Å; Y4-L92 HydrophobicContact CD1-CG 4.13Å; Y4-V506 HydrophobicContact CD1-CB 4.43Å; Y4-V506 HydrophobicContact CD1-CG1 4.02Å; Y4-V506 HydrophobicContact CD1-CG2 3.59Å; Y4-V506 HydrophobicContact CE1-CG1 3.86Å; Y4-V506 HydrophobicContact CE1-CG2 3.89Å; Y4-V506 HydrophobicContact CG-CG1 4.42Å; Y4-V506 HydrophobicContact CG-CG2 4.4Å
5C95.3Very high92.2Very high0 Ų019.3 Ų19.30%010%0.103CC..EExtended strand (participates in β ladder)trans-106.6104.9-172.6-62.20000110.3N15 Y501 R502 C504 S505C5-N15 PolarHBondContact SG-OD1 3.18Å; C5-N15 VanDerWaalsContact SG-OD1 3.36Å; C5-Y501 HydrophobicContact CB-CD2 3.61Å; C5-Y501 HydrophobicContact CB-CE2 4.16Å; C5-Y501 HydrophobicContact CB-CG 4.29Å; C5-Y501 VanDerWaalsContact SG-CB 3.59Å; C5-Y501 WeakPolarHBondContact SG-CD2 3.25Å; C5-R502 VanDerWaalsContact CB-O 3.3Å; C5-R502 WeakPolarHBondContact CB-O 3.19Å; C5-C504 PolarHBondContact O-N 3.13Å; C5-S505 PolarHBondContact N-O 3.48Å
6L93.8Very high92.5Very high0 Ų018.1 Ų18.10%010%0.097CC..  trans-90.4-24.5-173.9-50.7-177.4000112.9C14 V16 M25 P88 E89 L92 L95L6-C14 WeakPolarHBondContact CA-O 3.47Å; L6-C14 HydrophobicContact CB-CB 3.96Å; L6-C14 WeakPolarHBondContact CB-O 3.46Å; L6-C14 PolarHBondContact N-O 2.85Å; L6-V16 HydrophobicContact CD1-CG2 3.74Å; L6-V16 HydrophobicContact CG-CG2 4.27Å; L6-M25 HydrophobicContact CD1-CE 4.23Å; L6-P88 HydrophobicContact CB-CB 4.06Å; L6-E89 HydrophobicContact CB-CB 4.21Å; L6-E89 HydrophobicContact CD2-CB 4.35Å; L6-E89 WeakPolarHBondContact O-CB 3.25Å; L6-E89 PolarHBondContact O-N 3.34Å; L6-L92 HydrophobicContact CD2-CB 4.14Å; L6-L92 HydrophobicContact CD2-CD2 3.99Å; L6-L95 HydrophobicContact CD1-CD2 3.87Å
7S91.1Very high92.7Very high9 Ų917.1 Ų17.16%0.0639%0.091CC..  trans-110.6144.7175.5179.40000110.7H9 L12 C14S7-H9 PolarHBondContact OG-N 2.87Å; S7-L12 WeakPolarHBondContact CB-O 3.47Å; S7-L12 PolarHBondContact OG-O 3.39Å; S7-C14 PolarHBondContact N-O 2.73Å
8G82.4Confident92.8Very high26 Ų2619.7 Ų19.727%0.26810%0.102SC..  trans-94.7-7168.200000113.4Q476G8-Q476 PolarHBondContact O-NE2 2.96Å
9H88.9Confident92.6Very high33 Ų3319 Ų1915%0.15310%0.098CC..  trans-81.8117.9-174.8-161.7-72.1000110.2S7 T11 L12 D31S7-H9 PolarHBondContact OG-N 2.87Å; H9-T11 VanDerWaalsContact C-N 3.28Å; H9-T11 PolarHBondContact CE1-OG1 2.85Å; H9-T11 PolarHBondContact ND1-N 2.67Å; H9-T11 PolarHBondContact ND1-OG1 2.93Å; H9-T11 PolarHBondContact O-N 3.35Å; H9-L12 HydrophobicContact CB-CB 4.03Å; H9-L12 PolarHBondContact ND1-N 3.48Å; H9-L12 CarbonylContact O-C 3.51Å; H9-L12 PolarHBondContact O-N 3.2Å; H9-D31 IonicContact CD2-OD1 3.83Å
10P88.3Confident92.1Very high26 Ų2622 Ų2217%0.16911%0.11CC..THydrogen-bonded Turntrans-67.8-26.3-169.226.3-35000113.6G267 P474 Y477P10-G267 PolarHBondContact O-N 3.03Å; P10-P474 HydrophobicContact CB-CB 4.04Å; P10-P474 HydrophobicContact CB-CG 4.03Å; P10-Y477 HydrophobicContact CB-CE1 3.78Å; P10-Y477 WeakPolarHBondContact CB-OH 3.31Å; P10-Y477 PolarHBondContact O-OH 3.33Å
11T91.2Very high91.7Very high6 Ų624.4 Ų24.44%0.03713%0.129CC..THydrogen-bonded Turntrans-103.8-5.3178.167.40000114.7H9 P13 L268 Q270 R453H9-T11 VanDerWaalsContact C-N 3.28Å; H9-T11 PolarHBondContact CE1-OG1 2.85Å; H9-T11 PolarHBondContact ND1-N 2.67Å; H9-T11 PolarHBondContact ND1-OG1 2.93Å; H9-T11 PolarHBondContact O-N 3.35Å; T11-P13 WeakPolarHBondContact O-CD 3.4Å; T11-L268 WeakPolarHBondContact CG2-O 3.4Å; T11-Q270 HydrophobicContact CG2-CG 3.93Å; T11-Q270 PolarHBondContact OG1-NE2 3.06Å; T11-R453 VanDerWaalsContact CB-NH1 3.33Å
12L91.8Very high91.8Very high15 Ų1522.1 Ų22.18%0.07912%0.118CC..SBendtrans-127.562.9176.7-62.9167.5000108S7 H9 L30 H107S7-L12 WeakPolarHBondContact CB-O 3.47Å; S7-L12 PolarHBondContact OG-O 3.39Å; H9-L12 HydrophobicContact CB-CB 4.03Å; H9-L12 PolarHBondContact ND1-N 3.48Å; H9-L12 CarbonylContact O-C 3.51Å; H9-L12 PolarHBondContact O-N 3.2Å; L12-L30 WeakPolarHBondContact CD1-O 3.47Å; L12-H107 HydrophobicContact CD2-CB 4.19Å
13P93.2Very high91.9Very high1 Ų118.4 Ų18.41%0.00610%0.103CC..  trans-70155.3-173.931.1-37000111.7T11 D27 G29 Y238 T266T11-P13 WeakPolarHBondContact O-CD 3.4Å; P13-D27 HydrophobicContact CG-CB 4.09Å; P13-D27 WeakPolarHBondContact O-CB 3.46Å; P13-G29 PolarHBondContact O-N 3.28Å; P13-Y238 WeakPolarHBondContact CG-OH 3.48Å; P13-T266 HydrophobicContact CB-CG2 3.88Å; P13-T266 HydrophobicContact CG-CG2 4.1Å
14C95.1Very high92Very high0 Ų018.5 Ų18.50%010%0.103CC..  trans-143.999.1167.1-68.30000105.7L6 S7 M25 C28 G29 P88L6-C14 WeakPolarHBondContact CA-O 3.47Å; L6-C14 HydrophobicContact CB-CB 3.96Å; L6-C14 WeakPolarHBondContact CB-O 3.46Å; L6-C14 PolarHBondContact N-O 2.85Å; S7-C14 PolarHBondContact N-O 2.73Å; C14-M25 HydrophobicContact CB-CE 3.98Å; C14-C28 VanDerWaalsContact SG-CA 3.58Å; C14-G29 PolarHBondContact SG-N 2.95Å; C14-G29 PolarHBondContact SG-O 3.17Å; C14-P88 HydrophobicContact CB-CB 3.97Å; C14-P88 HydrophobicContact CB-CG 4.17Å; C14-P88 WeakPolarHBondContact SG-CG 3.38Å
15N96.1Very high92.1Very high0 Ų017 Ų170%010%0.098CC..EExtended strand (participates in β ladder)trans-123.9139.4-176.4-65.8-54.3000109.7L3 Y4 C5 M25 L26 Y501L3-N15 HydrophobicContact CD1-CB 4.02Å; Y4-N15 CarbonylContact O-C 3.47Å; Y4-N15 WeakPolarHBondContact O-CA 3.46Å; C5-N15 PolarHBondContact SG-OD1 3.18Å; C5-N15 VanDerWaalsContact SG-OD1 3.36Å; N15-M25 CarbonylContact O-C 3.44Å; N15-M25 WeakPolarHBondContact O-CA 3.4Å; N15-L26 HydrophobicContact CB-CB 4.45Å; N15-L26 PolarHBondContact N-O 2.89Å; N15-L26 VanDerWaalsContact N-O 3.09Å; N15-L26 PolarHBondContact O-N 3.49Å; N15-Y501 PolarHBondContact ND2-OH 3.28Å; N15-Y501 VanDerWaalsContact ND2-OH 3.08Å
16V97.4Very high92.2Very high0 Ų017 Ų170%010%0.098CC..EExtended strand (participates in β ladder)trans-113.1117.8175.9-175.90000109.9L3 Y4 L6 T23 I24 M25 L93 I98L3-V16 CarbonylContact C-O 3.44Å; L3-V16 WeakPolarHBondContact CA-O 3.48Å; Y4-V16 PolarHBondContact N-O 3.26Å; Y4-V16 PolarHBondContact O-N 3.49Å; L6-V16 HydrophobicContact CD1-CG2 3.74Å; L6-V16 HydrophobicContact CG-CG2 4.27Å; V16-T23 HydrophobicContact CG1-CG2 3.41Å; V16-T23 VanDerWaalsContact CG1-CG2 3.41Å; V16-I24 CarbonylContact C-O 3.5Å; V16-I24 WeakPolarHBondContact CA-O 3.23Å; V16-M25 HydrophobicContact CG2-CB 4.2Å; V16-M25 HydrophobicContact CG2-CG 4.06Å; V16-L93 HydrophobicContact CB-CD2 3.95Å; V16-L93 HydrophobicContact CG1-CD2 3.61Å; V16-L93 HydrophobicContact CG2-CD2 3.97Å; V16-I98 HydrophobicContact CG1-CG1 4.43Å; V16-I98 HydrophobicContact CG2-CD1 4.04Å
17L96.4Very high92.3Very high0 Ų017 Ų170%010%0.098CC..EExtended strand (participates in β ladder)trans-96112.9177.4-175.168.5000109.8M1 L3 F19 I24 L26 I229 V236 L509M1-L17 HydrophobicContact CG-CD1 3.76Å; M1-L17 HydrophobicContact CG-CG 4.49Å; M1-L17 HydrophobicContact SD-CD1 3.65Å; M1-L17 HydrophobicContact SD-CD2 4.48Å; M1-L17 HydrophobicContact SD-CG 4.38Å; L3-L17 HydrophobicContact CD1-CB 4.25Å; L3-L17 HydrophobicContact CD1-CD1 4.05Å; L17-F19 HydrophobicContact CD2-CB 4.25Å; L17-F19 HydrophobicContact CG-CB 4.17Å; L17-F19 PolarHBondContact O-N 3.3Å; L17-I24 PolarHBondContact N-O 3.15Å; L17-I24 PolarHBondContact O-N 3.1Å; L17-L26 HydrophobicContact CB-CD1 4.38Å; L17-I229 HydrophobicContact CD2-CD1 4.09Å; L17-V236 HydrophobicContact CD2-CG1 4.16Å; L17-V236 HydrophobicContact CD2-CG2 4.46Å; L17-L509 HydrophobicContact CD1-CD1 3.91Å
18K93.9Very high92.5Very high65 Ų6516.6 Ų16.628%0.28310%0.095SC..EExtended strand (participates in β ladder)trans-87.4105165.6-71.6-164.8179-175.60109.4M1 K2 Y4 T23M1-K18 WeakPolarHBondContact CA-O 3.2Å; M1-K18 VanDerWaalsContact CG-O 3.29Å; M1-K18 WeakPolarHBondContact CG-O 3.45Å; K2-K18 HydrophobicContact CB-CB 4.48Å; K2-K18 PolarHBondContact N-O 3.45Å; K2-K18 VanDerWaalsContact N-O 3.17Å; K2-K18 PolarHBondContact O-N 3.3Å; Y4-K18 HydrophobicContact CD2-CG 4.34Å; Y4-K18 HydrophobicContact CE2-CB 4.28Å; Y4-K18 HydrophobicContact CE2-CD 3.66Å; Y4-K18 HydrophobicContact CE2-CG 3.74Å; K18-T23 HydrophobicContact CG-CG2 4.12Å
19F88.7Confident93.1Very high6 Ų615.4 Ų15.43%0.0268%0.083CC..EExtended strand (participates in β ladder)trans-124.4116.7-178.6-174.8-163.4000110.2M1 L17 S21 T22 V211 I229 E234M1-F19 HydrophobicContact CE-CB 4.22Å; M1-F19 HydrophobicContact CE-CD1 4.01Å; M1-F19 HydrophobicContact CE-CD2 3.1Å; M1-F19 HydrophobicContact CE-CE1 4.15Å; M1-F19 HydrophobicContact CE-CE2 3.27Å; M1-F19 HydrophobicContact CE-CG 3.52Å; M1-F19 HydrophobicContact CE-CZ 3.82Å; M1-F19 HydrophobicContact CG-CB 4.38Å; M1-F19 HydrophobicContact SD-CD2 4.43Å; M1-F19 HydrophobicContact SD-CG 4.46Å; L17-F19 HydrophobicContact CD2-CB 4.25Å; L17-F19 HydrophobicContact CG-CB 4.17Å; L17-F19 PolarHBondContact O-N 3.3Å; F19-S21 PolarHBondContact O-N 3.38Å; F19-T22 PolarHBondContact N-O 2.97Å; F19-T22 PolarHBondContact O-N 2.87Å; F19-T22 VanDerWaalsContact O-O 3.06Å; F19-T22 PolarHBondContact O-OG1 3.14Å; F19-V211 HydrophobicContact CD1-CB 4.43Å; F19-V211 HydrophobicContact CD1-CG1 3.52Å; F19-V211 HydrophobicContact CE1-CB 4.39Å; F19-V211 HydrophobicContact CE1-CG1 3.55Å; F19-V211 HydrophobicContact CG-CG1 4.08Å; F19-V211 HydrophobicContact CZ-CG1 4.13Å; F19-I229 HydrophobicContact CD1-CG2 3.83Å; F19-I229 HydrophobicContact CE1-CG2 4.09Å; F19-E234 HydrophobicContact CE2-CB 4.2Å; F19-E234 HydrophobicContact CZ-CB 3.85Å
20K82.1Confident93.3Very high78 Ų7814 Ų1434%0.3398%0.076SC..THydrogen-bonded Turntrans54.3-128-169.9-59.9-166.6169.3-1610110.6T22 S231 E516K20-T22 VanDerWaalsContact C-N 3.32Å; K20-S231 WeakPolarHBondContact CE-OG 3.43Å; K20-S231 PolarHBondContact NZ-OG 2.9Å; K20-E516 IonicContact NZ-OE1 2.6Å; K20-E516 PolarHBondContact NZ-OE1 3.3Å
21S84.4Confident93.5Very high73 Ų7314.3 Ų14.351%0.518%0.076SC..THydrogen-bonded Turntrans-89.96.7176.145.90000113.2F19 N551F19-S21 PolarHBondContact O-N 3.38Å; S21-N551 PolarHBondContact OG-ND2 2.99Å; S21-N551 PolarHBondContact OG-OD1 3.49Å
22T91.6Very high93.5Very high3 Ų314.9 Ų14.92%0.0188%0.08CC..EExtended strand (participates in β ladder)trans-109.7139.4-178.262.20000112.1F19 K20 D99 F208 A210 V211F19-T22 PolarHBondContact N-O 2.97Å; F19-T22 PolarHBondContact O-N 2.87Å; F19-T22 VanDerWaalsContact O-O 3.06Å; F19-T22 PolarHBondContact O-OG1 3.14Å; K20-T22 VanDerWaalsContact C-N 3.32Å; T22-D99 WeakPolarHBondContact CA-OD2 3.28Å; T22-F208 HydrophobicContact CG2-CD2 3.81Å; T22-A210 HydrophobicContact CG2-CB 3.76Å; T22-V211 HydrophobicContact CG2-CG2 4.33Å
23T96.1Very high93.6Very high15 Ų1516.4 Ų16.49%0.0929%0.09CC..EExtended strand (participates in β ladder)trans-112.1107.3175.3-55.60000108.6V16 K18 L93 T97 I98 D99 V100V16-T23 HydrophobicContact CG1-CG2 3.41Å; V16-T23 VanDerWaalsContact CG1-CG2 3.41Å; K18-T23 HydrophobicContact CG-CG2 4.12Å; T23-L93 HydrophobicContact CG2-CD2 4.42Å; T23-T97 WeakPolarHBondContact CB-O 3.36Å; T23-I98 HydrophobicContact CG2-CG1 4.08Å; T23-D99 PolarHBondContact N-OD2 3.46Å; T23-D99 PolarHBondContact O-N 2.82Å; T23-V100 PolarHBondContact O-N 3.39Å
24I97.8Very high93.6Very high1 Ų116.5 Ų16.51%0.0059%0.091CC..EExtended strand (participates in β ladder)trans-111.4120.9-173.6-54.2171.8000109V16 L17 L26 V100 L102 L207 V211 I229V16-I24 CarbonylContact C-O 3.5Å; V16-I24 WeakPolarHBondContact CA-O 3.23Å; L17-I24 PolarHBondContact N-O 3.15Å; L17-I24 PolarHBondContact O-N 3.1Å; I24-L26 HydrophobicContact CG2-CD2 3.96Å; I24-V100 CarbonylContact C-O 3.57Å; I24-V100 WeakPolarHBondContact CA-O 3.31Å; I24-L102 HydrophobicContact CG2-CD1 3.77Å; I24-L102 HydrophobicContact CG2-CG 3.78Å; I24-L207 HydrophobicContact CD1-CD1 4.11Å; I24-L207 HydrophobicContact CG1-CD1 4.46Å; I24-V211 HydrophobicContact CD1-CG2 4.05Å; I24-I229 HydrophobicContact CD1-CG2 3.88Å
25M97.7Very high93.6Very high0 Ų016.5 Ų16.50%09%0.091CC..EExtended strand (participates in β ladder)trans-86.1128.8168.8-172.5166.9-177.900110L6 C14 N15 V16 D27 C28 I98 V100 I101 L102 I115L6-M25 HydrophobicContact CD1-CE 4.23Å; C14-M25 HydrophobicContact CB-CE 3.98Å; N15-M25 CarbonylContact O-C 3.44Å; N15-M25 WeakPolarHBondContact O-CA 3.4Å; V16-M25 HydrophobicContact CG2-CB 4.2Å; V16-M25 HydrophobicContact CG2-CG 4.06Å; M25-D27 WeakPolarHBondContact CE-O 3.42Å; M25-C28 HydrophobicContact CE-CB 3.99Å; M25-I98 HydrophobicContact CB-CD1 4.21Å; M25-I98 HydrophobicContact CB-CG2 3.84Å; M25-I98 HydrophobicContact SD-CD1 3.85Å; M25-V100 PolarHBondContact N-O 2.86Å; M25-I101 HydrophobicContact CB-CB 4.44Å; M25-I101 HydrophobicContact CB-CG1 4.07Å; M25-I101 HydrophobicContact CB-CG2 4.35Å; M25-I101 HydrophobicContact CG-CG2 4.46Å; M25-I101 CarbonylContact O-C 3.6Å; M25-I101 WeakPolarHBondContact O-CA 3.36Å; M25-I101 HydrophobicContact SD-CD1 4.43Å; M25-L102 PolarHBondContact O-N 2.8Å; M25-I115 HydrophobicContact CE-CD1 3.53Å; M25-I115 HydrophobicContact SD-CD1 4.03Å
26L97.5Very high93.6Very high0 Ų017.6 Ų17.60%010%0.096CC..EExtended strand (participates in β ladder)trans-103.5110.5176.5-52177000107.5N15 L17 I24 L102 I229 Y238 I264N15-L26 HydrophobicContact CB-CB 4.45Å; N15-L26 PolarHBondContact N-O 2.89Å; N15-L26 VanDerWaalsContact N-O 3.09Å; N15-L26 PolarHBondContact O-N 3.49Å; L17-L26 HydrophobicContact CB-CD1 4.38Å; I24-L26 HydrophobicContact CG2-CD2 3.96Å; L26-L102 HydrophobicContact CD2-CB 4.42Å; L26-L102 HydrophobicContact CD2-CD1 3.97Å; L26-L102 HydrophobicContact CD2-CG 4.5Å; L26-I229 HydrophobicContact CD2-CD1 3.58Å; L26-Y238 HydrophobicContact CB-CD1 4.19Å; L26-Y238 HydrophobicContact CB-CD2 4.39Å; L26-Y238 HydrophobicContact CB-CE1 3.95Å; L26-Y238 HydrophobicContact CB-CE2 4.17Å; L26-Y238 HydrophobicContact CB-CG 4.4Å; L26-Y238 HydrophobicContact CD1-CD2 3.8Å; L26-Y238 HydrophobicContact CD1-CE2 4.25Å; L26-Y238 HydrophobicContact CD1-CG 3.96Å; L26-Y238 HydrophobicContact CD2-CD1 4.43Å; L26-Y238 HydrophobicContact CD2-CG 4.48Å; L26-I264 HydrophobicContact CD1-CD1 3.89Å
27D97.7Very high93.4Very high0 Ų018.4 Ų18.40%010%0.101CC..  trans59.5154.4-175.6-69.5-33.1000115.1P13 M25 L102 S104 C108 Y238 S240P13-D27 HydrophobicContact CG-CB 4.09Å; P13-D27 WeakPolarHBondContact O-CB 3.46Å; M25-D27 WeakPolarHBondContact CE-O 3.42Å; D27-L102 PolarHBondContact N-O 2.82Å; D27-S104 VanDerWaalsContact OD1-CB 3.27Å; D27-S104 WeakPolarHBondContact OD1-CB 3.2Å; D27-S104 PolarHBondContact OD1-N 3.01Å; D27-C108 HydrophobicContact CB-CB 3.77Å; D27-C108 VanDerWaalsContact CG-CB 3.48Å; D27-C108 WeakPolarHBondContact OD1-CB 3.44Å; D27-Y238 WeakPolarHBondContact OD2-CE1 3.29Å; D27-Y238 VanDerWaalsContact OD2-CZ 3.29Å; D27-Y238 PolarHBondContact OD2-OH 3.08Å; D27-S240 PolarHBondContact OD2-OG 2.85Å
28C94.6Very high93.4Very high0 Ų018.4 Ų18.40%010%0.101CC..  trans-134.264.3170.555.50000110.4C14 M25 I103 C108 M110 A111 I115C14-C28 VanDerWaalsContact SG-CA 3.58Å; M25-C28 HydrophobicContact CE-CB 3.99Å; C28-I103 WeakPolarHBondContact SG-CD1 3.45Å; C28-C108 CarbonylContact C-O 3.07Å; C28-C108 WeakPolarHBondContact CA-O 3.43Å; C28-C108 PolarHBondContact N-O 3.35Å; C28-C108 CarbonylContact O-C 3.55Å; C28-C108 PolarHBondContact SG-O 3.02Å; C28-C108 VanDerWaalsContact SG-O 3.39Å; C28-M110 PolarHBondContact O-N 2.94Å; C28-A111 HydrophobicContact CB-CB 4.3Å; C28-A111 VanDerWaalsContact O-CB 3.26Å; C28-A111 WeakPolarHBondContact O-CB 3.47Å; C28-A111 PolarHBondContact O-N 3.36Å; C28-I115 HydrophobicContact CB-CD1 3.38Å
29G94Very high93.4Very high2 Ų215.5 Ų15.52%0.0219%0.088CC..  trans-62.3142.317300000113P13 C14 C108P13-G29 PolarHBondContact O-N 3.28Å; C14-G29 PolarHBondContact SG-N 2.95Å; C14-G29 PolarHBondContact SG-O 3.17Å; G29-C108 PolarHBondContact N-O 3.47Å
30L94.5Very high93.6Very high2 Ų215.2 Ų15.21%0.019%0.087CC..  trans-107123172.5-17767.3000109.3L12 T32 F85 L87 M110 A111 Y114L12-L30 WeakPolarHBondContact CD1-O 3.47Å; L30-T32 HydrophobicContact CD2-CG2 4.31Å; L30-T32 HydrophobicContact CG-CG2 4.39Å; L30-T32 PolarHBondContact O-N 2.89Å; L30-T32 VanDerWaalsContact O-N 3.08Å; L30-F85 HydrophobicContact CD1-CB 3.76Å; L30-F85 HydrophobicContact CD2-CB 3.93Å; L30-F85 HydrophobicContact CD2-CD1 3.81Å; L30-F85 HydrophobicContact CD2-CG 3.88Å; L30-F85 HydrophobicContact CG-CB 3.97Å; L30-F85 HydrophobicContact CG-CD1 4.36Å; L30-F85 HydrophobicContact CG-CG 4.41Å; L30-L87 HydrophobicContact CD1-CD2 3.62Å; L30-M110 HydrophobicContact CB-CB 3.49Å; L30-M110 VanDerWaalsContact CB-CB 3.49Å; L30-M110 HydrophobicContact CD2-CB 4.25Å; L30-A111 HydrophobicContact CB-CB 4.09Å; L30-A111 HydrophobicContact CD1-CB 4.23Å; L30-Y114 HydrophobicContact CD1-CD2 4.03Å; L30-Y114 HydrophobicContact CD1-CE2 3.76Å; L30-Y114 HydrophobicContact CD2-CE2 3.99Å
31D91.8Very high94Very high33 Ų3311.6 Ų11.618%0.1767%0.071CC..BIsolated β-bridgetrans-77.899.8176.1-179.92.7000110.7H9 T33 S34 C86H9-D31 IonicContact CD2-OD1 3.83Å; D31-T33 WeakPolarHBondContact OD1-CB 3.5Å; D31-T33 WeakPolarHBondContact OD1-CG2 3.48Å; D31-T33 PolarHBondContact OD1-N 3.28Å; D31-T33 PolarHBondContact OD1-OG1 3.45Å; D31-S34 PolarHBondContact O-OG 3.36Å; D31-C86 HydrophobicContact CB-CB 4.05Å; D31-C86 PolarHBondContact N-O 2.65Å; D31-C86 PolarHBondContact O-N 3.49Å
32T92.1Very high94Very high18 Ų188.7 Ų8.711%0.115%0.051CC..  trans-84.9-7.3-179.958.20000113.1L30 S34 V35 F85 F429L30-T32 HydrophobicContact CD2-CG2 4.31Å; L30-T32 HydrophobicContact CG-CG2 4.39Å; L30-T32 PolarHBondContact O-N 2.89Å; L30-T32 VanDerWaalsContact O-N 3.08Å; T32-S34 PolarHBondContact O-N 2.88Å; T32-V35 WeakPolarHBondContact O-CG1 3.49Å; T32-V35 WeakPolarHBondContact O-CG2 3.43Å; T32-V35 PolarHBondContact O-N 3.37Å; T32-V35 VanDerWaalsContact O-N 3.12Å; T32-F85 HydrophobicContact CG2-CD1 4Å; T32-F85 HydrophobicContact CG2-CE1 4.18Å; T32-F429 WeakPolarHBondContact OG1-CZ 3.5Å
33T92.3Very high93.4Very high47 Ų4710.2 Ų10.229%0.2886%0.059SC..G310 helixtrans-62.9-28.2-179.767.10000112.2D31 V35 L36D31-T33 WeakPolarHBondContact OD1-CB 3.5Å; D31-T33 WeakPolarHBondContact OD1-CG2 3.48Å; D31-T33 PolarHBondContact OD1-N 3.28Å; D31-T33 PolarHBondContact OD1-OG1 3.45Å; T33-V35 PolarHBondContact O-N 3.02Å; T33-V35 VanDerWaalsContact O-N 3.08Å; T33-L36 WeakPolarHBondContact O-CB 3.34Å; T33-L36 WeakPolarHBondContact O-CG 3.34Å; T33-L36 PolarHBondContact O-N 3.33Å
34S93.5Very high92.3Very high4 Ų411.5 Ų11.53%0.0287%0.066CC..G310 helixtrans-48.4-32.2172.149.40000114D31 T32 L36 N37 E84 F85 C86D31-S34 PolarHBondContact O-OG 3.36Å; T32-S34 PolarHBondContact O-N 2.88Å; S34-L36 PolarHBondContact O-N 2.81Å; S34-N37 WeakPolarHBondContact O-CB 3.31Å; S34-N37 PolarHBondContact O-N 3.22Å; S34-N37 PolarHBondContact O-ND2 3.36Å; S34-E84 PolarHBondContact OG-O 2.9Å; S34-E84 VanDerWaalsContact OG-O 3.13Å; S34-F85 WeakPolarHBondContact OG-CA 3.48Å; S34-C86 PolarHBondContact OG-N 3.05Å
35V95.2Very high90.6Very high0 Ų018.1 Ų18.10%010%0.097CC..G310 helixtrans-64.7-23.4-180-52.50000113T32 T33 N37 F38 P83 F85 R403 F404 F429T32-V35 WeakPolarHBondContact O-CG1 3.49Å; T32-V35 WeakPolarHBondContact O-CG2 3.43Å; T32-V35 PolarHBondContact O-N 3.37Å; T32-V35 VanDerWaalsContact O-N 3.12Å; T33-V35 PolarHBondContact O-N 3.02Å; T33-V35 VanDerWaalsContact O-N 3.08Å; V35-N37 PolarHBondContact O-N 3.35Å; V35-N37 VanDerWaalsContact O-N 3.12Å; V35-F38 PolarHBondContact O-N 2.9Å; V35-P83 HydrophobicContact CB-CB 4.09Å; V35-P83 HydrophobicContact CG1-CB 3.94Å; V35-F85 HydrophobicContact CG1-CD1 3.87Å; V35-F85 HydrophobicContact CG1-CE1 3.54Å; V35-F85 HydrophobicContact CG1-CZ 4.12Å; V35-R403 HydrophobicContact CB-CG 4.46Å; V35-R403 HydrophobicContact CG2-CB 4.44Å; V35-R403 HydrophobicContact CG2-CG 4.1Å; V35-R403 WeakPolarHBondContact O-CG 3.48Å; V35-F404 HydrophobicContact CB-CE1 4.24Å; V35-F404 HydrophobicContact CG1-CE1 4.16Å; V35-F404 HydrophobicContact CG2-CE1 4.14Å; V35-F429 HydrophobicContact CG2-CE1 4.22Å
36L95.5Very high88.7Confident22 Ų2229.3 Ų29.312%0.11514%0.139CC..G310 helixtrans-61.6-22.1179.1-67.7178.9000112.9T33 S34 F38 R403 F429 D433 A434T33-L36 WeakPolarHBondContact O-CB 3.34Å; T33-L36 WeakPolarHBondContact O-CG 3.34Å; T33-L36 PolarHBondContact O-N 3.33Å; S34-L36 PolarHBondContact O-N 2.81Å; L36-F38 VanDerWaalsContact C-N 3.26Å; L36-F38 PolarHBondContact O-N 3.13Å; L36-R403 PolarHBondContact O-NE 3.26Å; L36-R403 PolarHBondContact O-NH2 2.82Å; L36-F429 HydrophobicContact CD1-CB 4.5Å; L36-F429 HydrophobicContact CD1-CD1 3.93Å; L36-F429 HydrophobicContact CD2-CD1 3.98Å; L36-F429 HydrophobicContact CG-CD1 3.9Å; L36-D433 HydrophobicContact CD1-CB 4.02Å; L36-A434 HydrophobicContact CD2-CB 4.2Å
37N95.1Very high86.7Confident18 Ų1832.4 Ų32.410%0.09616%0.155CC..G310 helixtrans-74.2-13.7176.6-65.2-55.5000113.8S34 V35 F78 V79 L171 W180S34-N37 WeakPolarHBondContact O-CB 3.31Å; S34-N37 PolarHBondContact O-N 3.22Å; S34-N37 PolarHBondContact O-ND2 3.36Å; V35-N37 PolarHBondContact O-N 3.35Å; V35-N37 VanDerWaalsContact O-N 3.12Å; N37-F78 CarbonylContact O-C 3.53Å; N37-F78 WeakPolarHBondContact O-CA 3.43Å; N37-V79 PolarHBondContact O-N 3.33Å; N37-L171 HydrophobicContact CB-CD2 3.69Å; N37-W180 WeakPolarHBondContact ND2-CH2 3.39Å
38F94.7Very high85.2Confident0 Ų032.6 Ų32.60%016%0.157CC..BIsolated β-bridgetrans-97.7156.1-177.7-64.6-98.8000111.1V35 L36 V79 Q82 P83 E84 W158 W180 R403V35-F38 PolarHBondContact O-N 2.9Å; L36-F38 VanDerWaalsContact C-N 3.26Å; L36-F38 PolarHBondContact O-N 3.13Å; F38-V79 WeakPolarHBondContact CA-O 3.4Å; F38-V79 HydrophobicContact CD1-CB 3.7Å; F38-V79 HydrophobicContact CD1-CG1 3.83Å; F38-V79 HydrophobicContact CE1-CB 3.92Å; F38-V79 HydrophobicContact CE1-CG1 3.71Å; F38-V79 HydrophobicContact CG-CB 4.27Å; F38-Q82 WeakPolarHBondContact CD1-O 3.45Å; F38-Q82 WeakPolarHBondContact CE1-O 3.47Å; F38-P83 HydrophobicContact CB-CB 4.43Å; F38-P83 HydrophobicContact CB-CG 4.26Å; F38-P83 HydrophobicContact CD2-CB 4.35Å; F38-P83 HydrophobicContact CG-CB 4.28Å; F38-E84 HydrophobicContact CE1-CG 4.39Å; F38-E84 HydrophobicContact CE2-CB 4.3Å; F38-E84 HydrophobicContact CZ-CB 3.84Å; F38-E84 HydrophobicContact CZ-CG 4Å; F38-W158 HydrophobicContact CZ-CZ2 4.15Å; F38-W180 HydrophobicContact CE2-CE3 4.11Å; F38-W180 AromaticContact CE2-CZ3 3.91Å; F38-W180 HydrophobicContact CE2-CZ3 3.91Å; F38-W180 HydrophobicContact CZ-CE3 4.31Å; F38-W180 HydrophobicContact CZ-CZ3 4.38Å; F38-R403 WeakPolarHBondContact O-CD 3.35Å; F38-R403 PolarHBondContact O-NE 3.18Å
39L93.8Very high83.9Confident3 Ų335.5 Ų35.52%0.01618%0.175CC..PPolyproline II helixtrans-69.9148.4169.2-77.8179.4000111.4L54 K71 F78 V79 D80 P437L39-L54 HydrophobicContact CD1-CD1 4.26Å; L39-L54 HydrophobicContact CD2-CD1 3.72Å; L39-K71 HydrophobicContact CD1-CB 3.72Å; L39-K71 HydrophobicContact CD1-CG 3.65Å; L39-K71 HydrophobicContact CG-CB 4.47Å; L39-F78 HydrophobicContact CD2-CB 3.64Å; L39-F78 HydrophobicContact CD2-CD2 4.15Å; L39-F78 HydrophobicContact CD2-CG 3.95Å; L39-F78 HydrophobicContact CG-CB 3.71Å; L39-V79 PolarHBondContact N-O 2.8Å; L39-D80 HydrophobicContact CD1-CB 4Å; L39-P437 HydrophobicContact CD2-CB 4.47Å
40P93.9Very high83.5Confident1 Ų138.8 Ų38.81%0.00619%0.187CC..PPolyproline II helixtrans-56.5150.4173.2-22.332.2000112.9P42 L51 R403 V408 P437 Y438P40-P42 WeakPolarHBondContact O-CD 3.3Å; P40-L51 HydrophobicContact CB-CD1 4.04Å; P40-L51 HydrophobicContact CG-CD1 4.3Å; P40-R403 CarbonylContact C-O 3.51Å; P40-R403 WeakPolarHBondContact CA-O 3.44Å; P40-V408 HydrophobicContact CB-CG1 3.8Å; P40-V408 HydrophobicContact CB-CG2 4.27Å; P40-P437 HydrophobicContact CG-CB 3.79Å; P40-P437 HydrophobicContact CG-CG 4.17Å; P40-Y438 WeakPolarHBondContact CB-OH 3.44Å; P40-Y438 HydrophobicContact CG-CE1 4.26Å; P40-Y438 HydrophobicContact CG-CE2 3.96Å; P40-Y438 WeakPolarHBondContact CG-OH 3.48Å
41L90.6Very high83Confident1 Ų139.1 Ų39.11%0.00519%0.189CC..  trans-99.192.3175.4-61.4-172.7000109.7L43 P83 M146 V149 K151 R403 F404L41-L43 PolarHBondContact O-N 3.27Å; L41-P83 HydrophobicContact CD1-CG 4.21Å; L41-P83 HydrophobicContact CG-CG 4.39Å; L41-M146 HydrophobicContact CD1-CE 3.92Å; L41-M146 HydrophobicContact CD1-SD 4.34Å; L41-V149 HydrophobicContact CB-CB 4.11Å; L41-V149 HydrophobicContact CB-CG1 4.01Å; L41-K151 HydrophobicContact CD2-CD 3.64Å; L41-K151 VanDerWaalsContact CD2-CE 3.43Å; L41-K151 HydrophobicContact CD2-CG 3.95Å; L41-R403 PolarHBondContact N-O 3.11Å; L41-F404 HydrophobicContact CD1-CB 4.48Å
42P84.6Confident82.4Confident13 Ų1341.3 Ų41.38%0.08421%0.207CC..  trans-73.4125.6179.630.1-35.4000110.9P40 V44 S48 L51 V408P40-P42 WeakPolarHBondContact O-CD 3.3Å; P42-V44 VanDerWaalsContact C-N 3.27Å; P42-V44 PolarHBondContact O-N 2.93Å; P42-S48 WeakPolarHBondContact CB-OG 3.41Å; P42-L51 HydrophobicContact CG-CD1 4.38Å; P42-V408 HydrophobicContact CB-CG1 4.35Å
43L78.7Confident82.2Confident34 Ų3448.3 Ų48.318%0.17824%0.236CC..SBendtrans-59.2-37.9176-70.6161.1000112.6L41 R148 V149 I381 D406L41-L43 PolarHBondContact O-N 3.27Å; L43-R148 HydrophobicContact CD2-CB 4.15Å; L43-V149 HydrophobicContact CD2-CG2 3.58Å; L43-V149 HydrophobicContact CG-CG2 4.19Å; L43-I381 HydrophobicContact CD1-CD1 3.92Å; L43-I381 HydrophobicContact CD1-CG1 4.46Å; L43-D406 HydrophobicContact CD1-CB 4.35Å; L43-D406 WeakPolarHBondContact CD1-OD1 3.28Å
44V72.1Confident82Confident42 Ų4247 Ų4726%0.25523%0.227SC..  trans-117.2101.1-178.2-175.30000109.2P42 R46 I47P42-V44 VanDerWaalsContact C-N 3.27Å; P42-V44 PolarHBondContact O-N 2.93Å; V44-R46 HydrophobicContact CG1-CB 4.29Å; V44-R46 PolarHBondContact O-N 3.16Å; V44-I47 HydrophobicContact CB-CB 4.26Å; V44-I47 HydrophobicContact CB-CD1 3.84Å; V44-I47 HydrophobicContact CB-CG1 4.07Å; V44-I47 HydrophobicContact CG1-CB 4.33Å; V44-I47 HydrophobicContact CG1-CD1 3.78Å; V44-I47 HydrophobicContact CG1-CG1 3.76Å; V44-I47 HydrophobicContact CG2-CD1 4.23Å; V44-I47 PolarHBondContact O-N 3.41Å
45H63.5Low82Confident141 Ų14150.6 Ų50.665%0.65325%0.25SS*.THydrogen-bonded Turntrans-54.8-28.9-179.4-70.4-60.8000114.2I47H45-I47 VanDerWaalsContact C-N 3.32Å; H45-I47 PolarHBondContact O-N 2.97Å
46R56.4Low81.8Confident234 Ų23451.7 Ų51.788%0.88326%0.262SS*.THydrogen-bonded Turntrans-70.5-25.2177.5-69.1-167.4-173.9-1593.6113.8V44V44-R46 HydrophobicContact CG1-CB 4.29Å; V44-R46 PolarHBondContact O-N 3.16Å
47I57.2Low81.5Confident65 Ų6551.7 Ų51.733%0.33326%0.26SS..THydrogen-bonded Turntrans-85.9-22.7-175.9-66.8176.7000111.4V44 H45 P49 H409 E412V44-I47 HydrophobicContact CB-CB 4.26Å; V44-I47 HydrophobicContact CB-CD1 3.84Å; V44-I47 HydrophobicContact CB-CG1 4.07Å; V44-I47 HydrophobicContact CG1-CB 4.33Å; V44-I47 HydrophobicContact CG1-CD1 3.78Å; V44-I47 HydrophobicContact CG1-CG1 3.76Å; V44-I47 HydrophobicContact CG2-CD1 4.23Å; V44-I47 PolarHBondContact O-N 3.41Å; H45-I47 VanDerWaalsContact C-N 3.32Å; H45-I47 PolarHBondContact O-N 2.97Å; I47-P49 WeakPolarHBondContact O-CD 3.46Å; I47-H409 WeakPolarHBondContact CD1-CE1 3.35Å; I47-E412 HydrophobicContact CG2-CB 4.19Å
48S65.4Low81.2Confident4 Ų453.3 Ų53.33%0.02827%0.27CS..  trans-11552.2-178.6-470000113.7P42 R50 L51 E412P42-S48 WeakPolarHBondContact CB-OG 3.41Å; S48-R50 PolarHBondContact O-N 3.23Å; S48-R50 VanDerWaalsContact O-N 3.09Å; S48-L51 PolarHBondContact O-N 2.85Å; S48-E412 WeakPolarHBondContact OG-CG 3.43Å
49P68Low80.8Confident61 Ų6154 Ų5440%0.39628%0.275SS..Hα-helixtrans-64.7-15.7176.930.8-35.1000112I47 S52 K53I47-P49 WeakPolarHBondContact O-CD 3.46Å; P49-S52 PolarHBondContact O-OG 2.77Å; P49-K53 VanDerWaalsContact O-CB 3.29Å; P49-K53 WeakPolarHBondContact O-CB 3.2Å; P49-K53 VanDerWaalsContact O-CD 3.31Å; P49-K53 WeakPolarHBondContact O-CD 3.5Å; P49-K53 WeakPolarHBondContact O-CG 3.35Å; P49-K53 PolarHBondContact O-N 2.88Å
50R84.3Confident80.1Confident72 Ų7264.3 Ų64.327%0.27232%0.32SS..Hα-helixtrans-75-39.8-179.9-164.2-119.684.5175.5-5.9112.5S48 L54 C73 P437 Q439S48-R50 PolarHBondContact O-N 3.23Å; S48-R50 VanDerWaalsContact O-N 3.09Å; R50-L54 VanDerWaalsContact NH2-CD2 3.29Å; R50-L54 PolarHBondContact O-N 2.79Å; R50-C73 PolarHBondContact NH2-SG 2.88Å; R50-C73 VanDerWaalsContact NH2-SG 3.38Å; R50-P437 PolarHBondContact NH1-O 2.71Å; R50-P437 PolarHBondContact NH2-O 2.79Å; R50-Q439 PolarHBondContact NH1-O 3.25Å
51L83.9Confident79.3Confident9 Ų969.9 Ų69.95%0.04735%0.35CS..Hα-helixtrans-67.1-42.2179.5-65.6179.4000111.2P40 P42 S48 K53 L54 E412P40-L51 HydrophobicContact CB-CD1 4.04Å; P40-L51 HydrophobicContact CG-CD1 4.3Å; P42-L51 HydrophobicContact CG-CD1 4.38Å; S48-L51 PolarHBondContact O-N 2.85Å; L51-K53 VanDerWaalsContact C-N 3.35Å; L51-K53 PolarHBondContact O-N 3.27Å; L51-L54 WeakPolarHBondContact O-CB 3.46Å; L51-L54 WeakPolarHBondContact O-CG 3.12Å; L51-L54 PolarHBondContact O-N 3.02Å; L51-E412 WeakPolarHBondContact CD1-OE1 3.24Å; L51-E412 WeakPolarHBondContact CG-OE1 3.5Å
52S80.4Confident78.6Confident79 Ų7972.3 Ų72.355%0.55238%0.376SS*.Hα-helixtrans-71.4-27.8179.256.60000113.8P49 L54P49-S52 PolarHBondContact O-OG 2.77Å; S52-L54 VanDerWaalsContact C-N 3.32Å
53K86.2Confident78.3Confident165 Ų16575.2 Ų75.272%0.71740%0.396SS*.THydrogen-bonded Turntrans-875178-69.9177.4-174.3-175.30114.2P49 L51P49-K53 VanDerWaalsContact O-CB 3.29Å; P49-K53 WeakPolarHBondContact O-CB 3.2Å; P49-K53 VanDerWaalsContact O-CD 3.31Å; P49-K53 WeakPolarHBondContact O-CD 3.5Å; P49-K53 WeakPolarHBondContact O-CG 3.35Å; P49-K53 PolarHBondContact O-N 2.88Å; L51-K53 VanDerWaalsContact C-N 3.35Å; L51-K53 PolarHBondContact O-N 3.27Å
54L89.8Confident78.4Confident18 Ų1875.1 Ų75.19%0.09440%0.396CS..PPolyproline II helixtrans-58.4142.2175.4-76.7-179.9000111.1L39 R50 L51 S52 K71 C73L39-L54 HydrophobicContact CD1-CD1 4.26Å; L39-L54 HydrophobicContact CD2-CD1 3.72Å; R50-L54 VanDerWaalsContact NH2-CD2 3.29Å; R50-L54 PolarHBondContact O-N 2.79Å; L51-L54 WeakPolarHBondContact O-CB 3.46Å; L51-L54 WeakPolarHBondContact O-CG 3.12Å; L51-L54 PolarHBondContact O-N 3.02Å; S52-L54 VanDerWaalsContact C-N 3.32Å; L54-K71 HydrophobicContact CB-CB 4.11Å; L54-K71 HydrophobicContact CB-CD 4.19Å; L54-K71 HydrophobicContact CB-CG 4.42Å; L54-K71 HydrophobicContact CD1-CB 4.24Å; L54-K71 WeakPolarHBondContact O-CD 3.29Å; L54-K71 PolarHBondContact O-NZ 2.82Å; L54-C73 HydrophobicContact CD1-CB 3.98Å; L54-C73 HydrophobicContact CD2-CB 3.95Å
55P92Very high79.1Confident80 Ų8077.9 Ų77.952%0.51941%0.409SS..PPolyproline II helixtrans-61141.5175.126.5-33.8000110.3K71 E72P55-K71 WeakPolarHBondContact O-CA 3.09Å; P55-K71 WeakPolarHBondContact O-CD 3.39Å; P55-E72 WeakPolarHBondContact CD-O 3.23Å; P55-E72 HydrophobicContact CG-CB 4.3Å; P55-E72 WeakPolarHBondContact CG-O 3.24Å; P55-E72 PolarHBondContact O-N 3.22Å
56G91.1Very high80.3Confident24 Ų2471.9 Ų71.925%0.24738%0.381CS..BIsolated β-bridgetrans-70.5152.8169.900000110.9L70G56-L70 WeakPolarHBondContact CA-O 3.37Å
57W90.8Very high81.7Confident22 Ų2265.1 Ų65.18%0.08336%0.36CS..PPolyproline II helixtrans-90.3133.4176.6-176.483.3000111.9L66 E67 L70 V77 L167W57-L66 HydrophobicContact CE3-CB 4.21Å; W57-L66 HydrophobicContact CE3-CD1 4.32Å; W57-L66 HydrophobicContact CZ3-CD1 4.05Å; W57-L66 CarbonylContact O-C 3.56Å; W57-L66 PolarHBondContact O-N 3.11Å; W57-E67 PolarHBondContact O-N 2.87Å; W57-L70 HydrophobicContact CB-CB 3.8Å; W57-L70 HydrophobicContact CD2-CD1 4.39Å; W57-L70 HydrophobicContact CE3-CD1 3.89Å; W57-L70 HydrophobicContact CZ3-CD1 4.47Å; W57-L70 PolarHBondContact N-O 3.28Å; W57-V77 HydrophobicContact CB-CG1 4.12Å; W57-V77 HydrophobicContact CG-CG1 4.03Å; W57-V77 HydrophobicContact CG-CG2 3.93Å; W57-L167 HydrophobicContact CE3-CD2 4.17Å; W57-L167 HydrophobicContact CH2-CD2 3.69Å; W57-L167 HydrophobicContact CZ2-CD2 4.24Å; W57-L167 HydrophobicContact CZ3-CD2 3.65Å
58V87.9Confident83Confident51 Ų5170 Ų7031%0.30938%0.379SS..BIsolated β-bridgetrans-130.9143.7173.3-176.20000107.9E67V58-E67 HydrophobicContact CG2-CG 3.41Å; V58-E67 VanDerWaalsContact CG2-CG 3.41Å; V58-E67 WeakPolarHBondContact CG2-OE1 3.48Å
59S85.7Confident84.3Confident15 Ų1570.7 Ų70.711%0.10538%0.382CS..  trans-61.6148.5175.3-1590000111.3D61 G62 L64S59-D61 WeakPolarHBondContact CB-OD1 3.5Å; S59-D61 PolarHBondContact O-N 3.28Å; S59-D61 VanDerWaalsContact O-N 3.13Å; S59-D61 PolarHBondContact OG-OD1 3.34Å; S59-G62 PolarHBondContact O-N 2.91Å; S59-L64 PolarHBondContact N-O 3.02Å
60K79.7Confident85.5Confident219 Ų21967.8 Ų67.895%0.95236%0.363SS*.THydrogen-bonded Turntrans-59.6-28.7-176.7-67.6-175.6178.6-179.60113.3
61D78Confident85.9Confident118 Ų11866 Ų6663%0.63136%0.357SS*.THydrogen-bonded Turntrans-92-1.1178.449.1-45.6000113S59 S63S59-D61 WeakPolarHBondContact CB-OD1 3.5Å; S59-D61 PolarHBondContact O-N 3.28Å; S59-D61 VanDerWaalsContact O-N 3.13Å; S59-D61 PolarHBondContact OG-OD1 3.34Å; D61-S63 PolarHBondContact O-N 3.22Å; D61-S63 VanDerWaalsContact O-N 3.14Å; D61-S63 WeakPolarHBondContact OD2-CB 3.34Å; D61-S63 PolarHBondContact OD2-OG 2.72Å
62G75.9Confident86.3Confident53 Ų5369 Ų6955%0.54637%0.371SS..SBendtrans70.91.4177.100000115.3S59 L64S59-G62 PolarHBondContact O-N 2.91Å; G62-L64 PolarHBondContact O-N 2.9Å
63S76.6Confident86.9Confident74 Ų7465.7 Ų65.752%0.51735%0.347SS..SBendtrans-67.6-31.5-176.956.80000113.6D61D61-S63 PolarHBondContact O-N 3.22Å; D61-S63 VanDerWaalsContact O-N 3.14Å; D61-S63 WeakPolarHBondContact OD2-CB 3.34Å; D61-S63 PolarHBondContact OD2-OG 2.72Å
64L82.4Confident86.9Confident32 Ų3261.6 Ų61.617%0.16834%0.344CS..  trans-123.9122.7179.9-65.3138.8000110.5S59 G62 I163 M166S59-L64 PolarHBondContact N-O 3.02Å; G62-L64 PolarHBondContact O-N 2.9Å; L64-I163 HydrophobicContact CD2-CD1 4.35Å; L64-I163 HydrophobicContact CD2-CG1 4.08Å; L64-M166 HydrophobicContact CD1-CB 4.18Å; L64-M166 HydrophobicContact CD1-CE 3.25Å; L64-M166 HydrophobicContact CD1-CG 4.48Å; L64-M166 HydrophobicContact CD1-SD 3.51Å; L64-M166 VanDerWaalsContact CD1-SD 3.51Å; L64-M166 HydrophobicContact CD2-CE 4.12Å; L64-M166 HydrophobicContact CG-CE 4.24Å
65N86.1Confident86.7Confident99 Ų9963.6 Ų63.653%0.52937%0.369SS..BIsolated β-bridgetrans-108.6110.5170.7-176-25000109.2E67N65-E67 PolarHBondContact ND2-OE2 3.1Å; N65-E67 WeakPolarHBondContact OD1-CB 3.41Å; N65-E67 WeakPolarHBondContact OD1-CG 3.46Å; N65-E67 PolarHBondContact OD1-N 3.07Å; N65-E67 PolarHBondContact OD1-OE2 3.45Å
66L87.8Confident86.7Confident15 Ų1563.8 Ų63.88%0.07936%0.36CS..  trans-119.527.7174.4-64172.5000111.2W57 K68 E69 L70 C157 W158 I163 L167W57-L66 HydrophobicContact CE3-CB 4.21Å; W57-L66 HydrophobicContact CE3-CD1 4.32Å; W57-L66 HydrophobicContact CZ3-CD1 4.05Å; W57-L66 CarbonylContact O-C 3.56Å; W57-L66 PolarHBondContact O-N 3.11Å; L66-K68 PolarHBondContact O-N 3.31Å; L66-E69 PolarHBondContact O-N 3.36Å; L66-L70 HydrophobicContact CB-CB 4.28Å; L66-L70 HydrophobicContact CB-CD1 3.89Å; L66-L70 HydrophobicContact CB-CG 3.99Å; L66-L70 HydrophobicContact CD1-CD1 3.58Å; L66-L70 HydrophobicContact CD1-CG 4.34Å; L66-L70 HydrophobicContact CG-CD1 4.4Å; L66-L70 PolarHBondContact O-N 2.82Å; L66-C157 HydrophobicContact CD2-CB 3.89Å; L66-W158 HydrophobicContact CD1-CB 4.5Å; L66-I163 HydrophobicContact CD1-CG2 3.64Å; L66-L167 HydrophobicContact CD1-CD2 4.17Å
67E85.6Confident86.8Confident92 Ų9262.9 Ų62.943%0.4335%0.35SS..THydrogen-bonded Turntrans-57.1-25.4-176.1-72172.4156.500114W57 V58 N65W57-E67 PolarHBondContact O-N 2.87Å; V58-E67 HydrophobicContact CG2-CG 3.41Å; V58-E67 VanDerWaalsContact CG2-CG 3.41Å; V58-E67 WeakPolarHBondContact CG2-OE1 3.48Å; N65-E67 PolarHBondContact ND2-OE2 3.1Å; N65-E67 WeakPolarHBondContact OD1-CB 3.41Å; N65-E67 WeakPolarHBondContact OD1-CG 3.46Å; N65-E67 PolarHBondContact OD1-N 3.07Å; N65-E67 PolarHBondContact OD1-OE2 3.45Å
68K86Confident87Confident169 Ų16962.2 Ų62.274%0.73535%0.347SS*.THydrogen-bonded Turntrans-75.1-43.8175.1-63-175.4-178.3177.90110.9L66 Q153L66-K68 PolarHBondContact O-N 3.31Å; K68-Q153 PolarHBondContact O-NE2 2.82Å
69E91.4Very high87.3Confident18 Ų1859.8 Ų59.88%0.08433%0.332CS..THydrogen-bonded Turntrans-90.3-28-172.6-67.2-164.116900113.8L66 D80 A155 T156 C157 W158L66-E69 PolarHBondContact O-N 3.36Å; E69-D80 PolarHBondContact O-N 2.81Å; E69-A155 HydrophobicContact CB-CB 3.8Å; E69-A155 HydrophobicContact CG-CB 3.88Å; E69-T156 VanDerWaalsContact CD-N 3.35Å; E69-T156 PolarHBondContact OE1-N 2.81Å; E69-T156 PolarHBondContact OE2-N 3.42Å; E69-C157 WeakPolarHBondContact OE1-CB 3.26Å; E69-C157 PolarHBondContact OE1-N 2.83Å; E69-C157 PolarHBondContact OE1-SG 3.23Å; E69-C157 WeakPolarHBondContact OE2-CA 3.29Å; E69-C157 WeakPolarHBondContact OE2-CB 3.4Å; E69-C157 PolarHBondContact OE2-N 2.8Å; E69-W158 PolarHBondContact OE2-N 3.44Å
70L93.4Very high87.7Confident0 Ų060.1 Ų60.10%033%0.333CS..EExtended strand (participates in β ladder)trans-125.1138.2-169.8-61.2-175.5000111G56 W57 L66 V77 F78 V79 W158 L167 L171G56-L70 WeakPolarHBondContact CA-O 3.37Å; W57-L70 HydrophobicContact CB-CB 3.8Å; W57-L70 HydrophobicContact CD2-CD1 4.39Å; W57-L70 HydrophobicContact CE3-CD1 3.89Å; W57-L70 HydrophobicContact CZ3-CD1 4.47Å; W57-L70 PolarHBondContact N-O 3.28Å; L66-L70 HydrophobicContact CB-CB 4.28Å; L66-L70 HydrophobicContact CB-CD1 3.89Å; L66-L70 HydrophobicContact CB-CG 3.99Å; L66-L70 HydrophobicContact CD1-CD1 3.58Å; L66-L70 HydrophobicContact CD1-CG 4.34Å; L66-L70 HydrophobicContact CG-CD1 4.4Å; L66-L70 PolarHBondContact O-N 2.82Å; L70-V77 HydrophobicContact CB-CG1 3.9Å; L70-V77 HydrophobicContact CD1-CG1 4.03Å; L70-V77 HydrophobicContact CD2-CG1 4.35Å; L70-V77 HydrophobicContact CG-CG1 4.32Å; L70-F78 WeakPolarHBondContact CA-O 3.26Å; L70-V79 HydrophobicContact CD2-CB 4.36Å; L70-V79 HydrophobicContact CD2-CG2 3.89Å; L70-W158 HydrophobicContact CD1-CB 4.39Å; L70-W158 HydrophobicContact CD2-CB 4.13Å; L70-W158 HydrophobicContact CD2-CG 4.32Å; L70-W158 HydrophobicContact CG-CB 4.48Å; L70-L167 HydrophobicContact CD1-CD1 4.34Å; L70-L167 HydrophobicContact CD1-CD2 3.61Å; L70-L171 HydrophobicContact CD2-CD1 4.21Å
71K93.1Very high88.2Confident33 Ų3349.7 Ų49.714%0.14329%0.288CS..EExtended strand (participates in β ladder)trans-124.3142.9179.2-65.9-64.6-166.8175.70110.5L39 L54 P55 V77 F78 D80L39-K71 HydrophobicContact CD1-CB 3.72Å; L39-K71 HydrophobicContact CD1-CG 3.65Å; L39-K71 HydrophobicContact CG-CB 4.47Å; L54-K71 HydrophobicContact CB-CB 4.11Å; L54-K71 HydrophobicContact CB-CD 4.19Å; L54-K71 HydrophobicContact CB-CG 4.42Å; L54-K71 HydrophobicContact CD1-CB 4.24Å; L54-K71 WeakPolarHBondContact O-CD 3.29Å; L54-K71 PolarHBondContact O-NZ 2.82Å; P55-K71 WeakPolarHBondContact O-CA 3.09Å; P55-K71 WeakPolarHBondContact O-CD 3.39Å; K71-V77 CarbonylContact O-C 3.47Å; K71-V77 WeakPolarHBondContact O-CA 3.46Å; K71-F78 PolarHBondContact N-O 2.85Å; K71-F78 PolarHBondContact O-N 3.35Å; K71-D80 HydrophobicContact CG-CB 3.9Å
72E92.8Very high88.8Confident74 Ų7445.5 Ų45.535%0.34627%0.265SS..EExtended strand (participates in β ladder)trans-103.7135.7177.3-168.8179.2154.100111.2P55 R76P55-E72 WeakPolarHBondContact CD-O 3.23Å; P55-E72 HydrophobicContact CG-CB 4.3Å; P55-E72 WeakPolarHBondContact CG-O 3.24Å; P55-E72 PolarHBondContact O-N 3.22Å; E72-R76 CarbonylContact C-O 3.4Å; E72-R76 WeakPolarHBondContact CA-O 3.48Å
73C92.3Very high89.7Confident8 Ų843 Ų435%0.05424%0.238CC..EExtended strand (participates in β ladder)trans-143120.7173.6178.50000109.5R50 L54 G75 R76 F78R50-C73 PolarHBondContact NH2-SG 2.88Å; R50-C73 VanDerWaalsContact NH2-SG 3.38Å; L54-C73 HydrophobicContact CD1-CB 3.98Å; L54-C73 HydrophobicContact CD2-CB 3.95Å; C73-G75 VanDerWaalsContact C-N 3.27Å; C73-G75 PolarHBondContact O-N 3.04Å; C73-R76 PolarHBondContact N-O 3.41Å; C73-R76 PolarHBondContact O-N 3.43Å; C73-F78 HydrophobicContact CB-CD2 4.18Å; C73-F78 HydrophobicContact CB-CE2 3.92Å
74A86.6Confident90.5Very high80 Ų8040.1 Ų40.166%0.66122%0.217SC*.THydrogen-bonded Turntrans49.742.9178.200000114.1R76 Q439A74-R76 VanDerWaalsContact C-N 3.3Å; A74-R76 PolarHBondContact O-N 2.94Å; A74-Q439 HydrophobicContact CB-CB 3.93Å
75G85.7Confident91.1Very high60 Ų6038.6 Ų38.662%0.61921%0.209SC*.THydrogen-bonded Turntrans77.98178.600000115.2C73C73-G75 VanDerWaalsContact C-N 3.27Å; C73-G75 PolarHBondContact O-N 3.04Å
76R91.8Very high91.4Very high83 Ų8334.1 Ų34.131%0.31319%0.185SC..EExtended strand (participates in β ladder)trans-114.7148172.6-70.2179.5171.4-153.61.4111E72 C73 A74 F78 D433E72-R76 CarbonylContact C-O 3.4Å; E72-R76 WeakPolarHBondContact CA-O 3.48Å; C73-R76 PolarHBondContact N-O 3.41Å; C73-R76 PolarHBondContact O-N 3.43Å; A74-R76 VanDerWaalsContact C-N 3.3Å; A74-R76 PolarHBondContact O-N 2.94Å; R76-F78 HydrophobicContact CB-CE2 3.74Å; R76-F78 HydrophobicContact CB-CZ 3.87Å; R76-D433 IonicContact CZ-OD1 3.55Å; R76-D433 IonicContact NH1-OD1 2.61Å; R76-D433 PolarHBondContact NH1-OD1 3.4Å; R76-D433 IonicContact NH2-OD1 3.35Å; R76-D433 PolarHBondContact NH2-OD1 2.92Å
77V93.8Very high91.6Very high6 Ų633.5 Ų33.54%0.03618%0.182CC..EExtended strand (participates in β ladder)trans-107.2133.5-178.8-177.10000109.7W57 L70 K71 P168 L171W57-V77 HydrophobicContact CB-CG1 4.12Å; W57-V77 HydrophobicContact CG-CG1 4.03Å; W57-V77 HydrophobicContact CG-CG2 3.93Å; L70-V77 HydrophobicContact CB-CG1 3.9Å; L70-V77 HydrophobicContact CD1-CG1 4.03Å; L70-V77 HydrophobicContact CD2-CG1 4.35Å; L70-V77 HydrophobicContact CG-CG1 4.32Å; K71-V77 CarbonylContact O-C 3.47Å; K71-V77 WeakPolarHBondContact O-CA 3.46Å; V77-P168 HydrophobicContact CB-CG 3.96Å; V77-P168 HydrophobicContact CG2-CG 3.38Å; V77-L171 HydrophobicContact CB-CD1 4.18Å; V77-L171 HydrophobicContact CG1-CD1 3.86Å
78F94.9Very high91.8Very high7 Ų729.7 Ų29.73%0.03117%0.165CC..EExtended strand (participates in β ladder)trans-126.2148.6-178.5-60.4-82.7000110.6N37 L39 L70 K71 C73 R76 A436 P437N37-F78 CarbonylContact O-C 3.53Å; N37-F78 WeakPolarHBondContact O-CA 3.43Å; L39-F78 HydrophobicContact CD2-CB 3.64Å; L39-F78 HydrophobicContact CD2-CD2 4.15Å; L39-F78 HydrophobicContact CD2-CG 3.95Å; L39-F78 HydrophobicContact CG-CB 3.71Å; L70-F78 WeakPolarHBondContact CA-O 3.26Å; K71-F78 PolarHBondContact N-O 2.85Å; K71-F78 PolarHBondContact O-N 3.35Å; C73-F78 HydrophobicContact CB-CD2 4.18Å; C73-F78 HydrophobicContact CB-CE2 3.92Å; R76-F78 HydrophobicContact CB-CE2 3.74Å; R76-F78 HydrophobicContact CB-CZ 3.87Å; F78-A436 HydrophobicContact CE1-CB 4.43Å; F78-A436 HydrophobicContact CZ-CB 3.74Å; F78-P437 HydrophobicContact CD1-CG 4.15Å; F78-P437 HydrophobicContact CE1-CG 3.69Å; F78-P437 HydrophobicContact CE2-CG 4.43Å; F78-P437 HydrophobicContact CZ-CG 3.84Å
79V94.7Very high91.9Very high0 Ų022.5 Ų22.50%013%0.134CC..EExtended strand (participates in β ladder)trans-82.4122.8175.3-173.30000109.7N37 F38 L39 L70 S81 A155 W158 L171N37-V79 PolarHBondContact O-N 3.33Å; F38-V79 WeakPolarHBondContact CA-O 3.4Å; F38-V79 HydrophobicContact CD1-CB 3.7Å; F38-V79 HydrophobicContact CD1-CG1 3.83Å; F38-V79 HydrophobicContact CE1-CB 3.92Å; F38-V79 HydrophobicContact CE1-CG1 3.71Å; F38-V79 HydrophobicContact CG-CB 4.27Å; L39-V79 PolarHBondContact N-O 2.8Å; L70-V79 HydrophobicContact CD2-CB 4.36Å; L70-V79 HydrophobicContact CD2-CG2 3.89Å; V79-S81 VanDerWaalsContact C-N 3.32Å; V79-S81 PolarHBondContact O-N 2.82Å; V79-A155 HydrophobicContact CG1-CB 3.47Å; V79-A155 VanDerWaalsContact CG1-CB 3.47Å; V79-W158 HydrophobicContact CG1-CZ2 4.29Å; V79-W158 HydrophobicContact CG2-CD2 3.95Å; V79-W158 HydrophobicContact CG2-CE3 4.24Å; V79-W158 HydrophobicContact CG2-CH2 4.12Å; V79-W158 HydrophobicContact CG2-CZ2 3.85Å; V79-W158 HydrophobicContact CG2-CZ3 4.32Å; V79-L171 HydrophobicContact CG2-CD1 4.36Å; V79-L171 HydrophobicContact CG2-CD2 3.87Å
80D92.7Very high91.5Very high23 Ų2325.8 Ų25.812%0.12315%0.146CC..  trans-89.569.1175.6-162.47.2000110.9L39 E69 K71 K151L39-D80 HydrophobicContact CD1-CB 4Å; E69-D80 PolarHBondContact O-N 2.81Å; K71-D80 HydrophobicContact CG-CB 3.9Å; D80-K151 IonicContact OD1-NZ 2.74Å; D80-K151 PolarHBondContact OD1-NZ 2.85Å
81S91.6Very high91.1Very high0 Ų033.9 Ų33.90%018%0.184CC..SBendtrans-147.1173.1-179.7-178.60000109.7V79 Q153 A155V79-S81 VanDerWaalsContact C-N 3.32Å; V79-S81 PolarHBondContact O-N 2.82Å; S81-Q153 PolarHBondContact OG-O 3.38Å; S81-A155 PolarHBondContact OG-N 3.26Å
82Q90.8Very high90.8Very high30 Ų3034.8 Ų34.814%0.1419%0.19CC..  trans-57.8137.5165.3-170.2176.718.800109.9F38 M146F38-Q82 WeakPolarHBondContact CD1-O 3.45Å; F38-Q82 WeakPolarHBondContact CE1-O 3.47Å; Q82-M146 HydrophobicContact CG-SD 4.42Å
83P93.6Very high90.7Very high0 Ų032 Ų320%018%0.177CC..  trans-57.8145.1174.7-24.334.1000112.6V35 F38 L41 M146 F404V35-P83 HydrophobicContact CB-CB 4.09Å; V35-P83 HydrophobicContact CG1-CB 3.94Å; F38-P83 HydrophobicContact CB-CB 4.43Å; F38-P83 HydrophobicContact CB-CG 4.26Å; F38-P83 HydrophobicContact CD2-CB 4.35Å; F38-P83 HydrophobicContact CG-CB 4.28Å; L41-P83 HydrophobicContact CD1-CG 4.21Å; L41-P83 HydrophobicContact CG-CG 4.39Å; P83-M146 HydrophobicContact CG-SD 4.45Å; P83-F404 HydrophobicContact CG-CD1 4.29Å
84E94.4Very high90.7Very high13 Ų1336.2 Ų36.26%0.06120%0.199CC..EExtended strand (participates in β ladder)trans-126.8154.1175.3-60.9174.1139.500109.7S34 F38 K159 W180 K181 R182S34-E84 PolarHBondContact OG-O 2.9Å; S34-E84 VanDerWaalsContact OG-O 3.13Å; F38-E84 HydrophobicContact CE1-CG 4.39Å; F38-E84 HydrophobicContact CE2-CB 4.3Å; F38-E84 HydrophobicContact CZ-CB 3.84Å; F38-E84 HydrophobicContact CZ-CG 4Å; E84-K159 IonicContact OE1-NZ 3.57Å; E84-K159 PolarHBondContact OE1-NZ 3.43Å; E84-K159 WeakPolarHBondContact OE2-CE 3.44Å; E84-K159 IonicContact OE2-NZ 3.82Å; E84-K159 PolarHBondContact OE2-NZ 2.92Å; E84-W180 HydrophobicContact CB-CB 3.96Å; E84-W180 HydrophobicContact CB-CE3 4.49Å; E84-K181 CarbonylContact C-O 3.54Å; E84-K181 VanDerWaalsContact CA-O 3.26Å; E84-K181 WeakPolarHBondContact CA-O 3.29Å; E84-K181 WeakPolarHBondContact CB-O 3.23Å; E84-R182 HydrophobicContact CG-CG 4.03Å
85F94.3Very high91Very high0 Ų032.7 Ų32.70%017%0.169CC..EExtended strand (participates in β ladder)trans-112.3140.3-171.6-55.5-88.2000110.6L30 T32 S34 V35 L87 L142 W180 K181 C183L30-F85 HydrophobicContact CD1-CB 3.76Å; L30-F85 HydrophobicContact CD2-CB 3.93Å; L30-F85 HydrophobicContact CD2-CD1 3.81Å; L30-F85 HydrophobicContact CD2-CG 3.88Å; L30-F85 HydrophobicContact CG-CB 3.97Å; L30-F85 HydrophobicContact CG-CD1 4.36Å; L30-F85 HydrophobicContact CG-CG 4.41Å; T32-F85 HydrophobicContact CG2-CD1 4Å; T32-F85 HydrophobicContact CG2-CE1 4.18Å; S34-F85 WeakPolarHBondContact OG-CA 3.48Å; V35-F85 HydrophobicContact CG1-CD1 3.87Å; V35-F85 HydrophobicContact CG1-CE1 3.54Å; V35-F85 HydrophobicContact CG1-CZ 4.12Å; F85-L87 PolarHBondContact O-N 3.12Å; F85-L142 HydrophobicContact CE1-CD1 4.29Å; F85-L142 HydrophobicContact CE1-CD2 4.26Å; F85-L142 HydrophobicContact CZ-CD1 3.9Å; F85-L142 HydrophobicContact CZ-CD2 4.04Å; F85-L142 HydrophobicContact CZ-CG 4.36Å; F85-W180 WeakPolarHBondContact O-CA 3.22Å; F85-K181 PolarHBondContact N-O 2.84Å; F85-K181 PolarHBondContact O-N 3.05Å; F85-C183 HydrophobicContact CE2-CB 3.94Å
86C92.3Very high91.4Very high5 Ų532 Ų323%0.03416%0.155CC..BIsolated β-bridgetrans-79.1121.4176.1-178.20000109.7D31 S34 R503D31-C86 HydrophobicContact CB-CB 4.05Å; D31-C86 PolarHBondContact N-O 2.65Å; D31-C86 PolarHBondContact O-N 3.49Å; S34-C86 PolarHBondContact OG-N 3.05Å; C86-R503 PolarHBondContact SG-NH1 2.94Å
87L91.9Very high91.6Very high3 Ų330.9 Ų30.92%0.01616%0.157CC..PPolyproline II helixtrans-89.1156.5-177.7-62.1-171000112L30 F85 Y114 K181 R503L30-L87 HydrophobicContact CD1-CD2 3.62Å; F85-L87 PolarHBondContact O-N 3.12Å; L87-Y114 HydrophobicContact CD1-CD1 4.46Å; L87-Y114 HydrophobicContact CD1-CG 4.37Å; L87-Y114 HydrophobicContact CD2-CD1 4.18Å; L87-Y114 HydrophobicContact CD2-CD2 3.37Å; L87-Y114 HydrophobicContact CD2-CE1 4.44Å; L87-Y114 HydrophobicContact CD2-CE2 3.7Å; L87-Y114 HydrophobicContact CD2-CG 3.64Å; L87-K181 HydrophobicContact CD1-CB 3.97Å; L87-K181 HydrophobicContact CD1-CG 3.38Å; L87-K181 HydrophobicContact CG-CB 4.34Å; L87-K181 HydrophobicContact CG-CG 4.16Å; L87-R503 PolarHBondContact O-NH2 3Å
88P89.3Confident91.7Very high11 Ų1130.7 Ų30.77%0.07116%0.156CC..PPolyproline II helixtrans-57.7151.3167.6-21.633.9000111.5L6 C14 A111L6-P88 HydrophobicContact CB-CB 4.06Å; C14-P88 HydrophobicContact CB-CB 3.97Å; C14-P88 HydrophobicContact CB-CG 4.17Å; C14-P88 WeakPolarHBondContact SG-CG 3.38Å; P88-A111 HydrophobicContact CG-CB 4.12Å
89E88.7Confident91.8Very high18 Ų1832.8 Ų32.88%0.08417%0.167CC..PPolyproline II helixtrans-58.4137.4178.1-172.151.8-113.500112.1L6 E91 L92 R503L6-E89 HydrophobicContact CB-CB 4.21Å; L6-E89 HydrophobicContact CD2-CB 4.35Å; L6-E89 WeakPolarHBondContact O-CB 3.25Å; L6-E89 PolarHBondContact O-N 3.34Å; E89-E91 PolarHBondContact OE1-N 3.34Å; E89-L92 HydrophobicContact CG-CB 4.15Å; E89-R503 IonicContact OE2-NE 2.69Å; E89-R503 IonicContact OE2-NH2 3.99Å
90R83.3Confident91.9Very high88 Ų8832.8 Ų32.833%0.33217%0.168SC..  trans-115.8-22.6-177.4-63.1-178.2177.5-159.6-9.5113L92 Y114R90-L92 VanDerWaalsContact C-N 3.35Å; R90-Y114 PolarHBondContact NH2-O 3.34Å
91E84.4Confident92.2Very high169 Ų16931.7 Ų31.779%0.7916%0.162SC*.SBendtrans-78.6-21.9-175.6-64.9-174.8-179.200112.7E89E89-E91 PolarHBondContact OE1-N 3.34Å
92L87.1Confident92.5Very high52 Ų5231.7 Ų31.727%0.27216%0.162SC..SBendtrans-71.5-32.1-176.5-16871.6000113.2Y4 L6 E89 R90 V506Y4-L92 HydrophobicContact CD1-CD2 4.09Å; Y4-L92 HydrophobicContact CD1-CG 4.13Å; L6-L92 HydrophobicContact CD2-CB 4.14Å; L6-L92 HydrophobicContact CD2-CD2 3.99Å; E89-L92 HydrophobicContact CG-CB 4.15Å; R90-L92 VanDerWaalsContact C-N 3.35Å; L92-V506 HydrophobicContact CD1-CG2 3.9Å; L92-V506 HydrophobicContact CD2-CG2 4.11Å; L92-V506 HydrophobicContact CG-CG2 4.26Å
93L90.4Very high92.9Very high16 Ų1630.3 Ų30.38%0.08416%0.155CC..SBendtrans-152.4133.9-175.6-178.876.7000109.8V16 T23 L95 I98V16-L93 HydrophobicContact CB-CD2 3.95Å; V16-L93 HydrophobicContact CG1-CD2 3.61Å; V16-L93 HydrophobicContact CG2-CD2 3.97Å; T23-L93 HydrophobicContact CG2-CD2 4.42Å; L93-L95 PolarHBondContact O-N 3.43Å; L93-L95 VanDerWaalsContact O-N 3.16Å; L93-I98 HydrophobicContact CD2-CD1 4.45Å; L93-I98 HydrophobicContact CD2-CG1 4.24Å
94D92.7Very high93.1Very high96 Ų9630.4 Ų30.451%0.51316%0.156SC..  trans-66.6110.7167-178-0.9000110.4S96 T97D94-S96 PolarHBondContact O-N 3.38Å; D94-S96 WeakPolarHBondContact OD1-CB 3.31Å; D94-S96 PolarHBondContact OD1-N 3.25Å; D94-S96 PolarHBondContact OD1-OG 3.25Å; D94-S96 PolarHBondContact OD2-OG 2.87Å; D94-T97 HydrophobicContact CB-CG2 4.14Å; D94-T97 WeakPolarHBondContact O-CB 3.48Å; D94-T97 PolarHBondContact O-N 3.3Å; D94-T97 VanDerWaalsContact O-N 3.07Å; D94-T97 PolarHBondContact O-OG1 2.81Å
95L93.3Very high93.2Very high7 Ų730 Ų304%0.03715%0.154CC..G310 helixtrans-69.2-13.4-176.6-54.4-169.9000113L6 L93 T97 I98 I115 T119L6-L95 HydrophobicContact CD1-CD2 3.87Å; L93-L95 PolarHBondContact O-N 3.43Å; L93-L95 VanDerWaalsContact O-N 3.16Å; L95-T97 PolarHBondContact O-N 2.99Å; L95-I98 HydrophobicContact CB-CD1 3.98Å; L95-I98 HydrophobicContact CD2-CD1 3.61Å; L95-I98 HydrophobicContact CG-CD1 4.33Å; L95-I98 WeakPolarHBondContact O-CB 3.45Å; L95-I98 PolarHBondContact O-N 3.39Å; L95-I115 HydrophobicContact CD1-CG1 4.33Å; L95-I115 HydrophobicContact CD1-CG2 4.14Å; L95-T119 VanDerWaalsContact CB-OG1 3.31Å; L95-T119 WeakPolarHBondContact CB-OG1 3.39Å; L95-T119 HydrophobicContact CD1-CG2 3.84Å
96S94.3Very high93.3Very high46 Ų4630.2 Ų30.232%0.32216%0.155SC..G310 helixtrans-65.6-19.8170.574.20000112.5D94 I98 T119D94-S96 PolarHBondContact O-N 3.38Å; D94-S96 WeakPolarHBondContact OD1-CB 3.31Å; D94-S96 PolarHBondContact OD1-N 3.25Å; D94-S96 PolarHBondContact OD1-OG 3.25Å; D94-S96 PolarHBondContact OD2-OG 2.87Å; S96-I98 VanDerWaalsContact C-N 3.29Å; S96-I98 PolarHBondContact O-N 2.91Å; S96-T119 PolarHBondContact N-O 2.81Å
97T94.6Very high93.4Very high58 Ų5830.8 Ų30.836%0.35616%0.157SC..G310 helixtrans-83.7-1.2177.770.30000113.8T23 D94 L95T23-T97 WeakPolarHBondContact CB-O 3.36Å; D94-T97 HydrophobicContact CB-CG2 4.14Å; D94-T97 WeakPolarHBondContact O-CB 3.48Å; D94-T97 PolarHBondContact O-N 3.3Å; D94-T97 VanDerWaalsContact O-N 3.07Å; D94-T97 PolarHBondContact O-OG1 2.81Å; L95-T97 PolarHBondContact O-N 2.99Å
98I96.7Very high93.6Very high2 Ų230.6 Ų30.61%0.0116%0.156CC..  trans-81.8122.3179-62.7171.2000108.8V16 T23 M25 L93 L95 S96 V100 I101 F121V16-I98 HydrophobicContact CG1-CG1 4.43Å; V16-I98 HydrophobicContact CG2-CD1 4.04Å; T23-I98 HydrophobicContact CG2-CG1 4.08Å; M25-I98 HydrophobicContact CB-CD1 4.21Å; M25-I98 HydrophobicContact CB-CG2 3.84Å; M25-I98 HydrophobicContact SD-CD1 3.85Å; L93-I98 HydrophobicContact CD2-CD1 4.45Å; L93-I98 HydrophobicContact CD2-CG1 4.24Å; L95-I98 HydrophobicContact CB-CD1 3.98Å; L95-I98 HydrophobicContact CD2-CD1 3.61Å; L95-I98 HydrophobicContact CG-CD1 4.33Å; L95-I98 WeakPolarHBondContact O-CB 3.45Å; L95-I98 PolarHBondContact O-N 3.39Å; S96-I98 VanDerWaalsContact C-N 3.29Å; S96-I98 PolarHBondContact O-N 2.91Å; I98-V100 WeakPolarHBondContact CG2-O 3.08Å; I98-I101 HydrophobicContact CG2-CG1 4.22Å; I98-F121 HydrophobicContact CB-CD2 4.1Å; I98-F121 HydrophobicContact CB-CE2 4.22Å; I98-F121 HydrophobicContact CG2-CD2 4.24Å; I98-F121 HydrophobicContact CG2-CE2 3.9Å; I98-F121 WeakPolarHBondContact O-CD2 3.37Å; I98-F121 WeakPolarHBondContact O-CE2 3.49Å
99D95.8Very high93.9Very high51 Ų5130.1 Ų30.127%0.27315%0.153SC..  trans-83.8-36.3-178.7-52.7-61.1000111.5T22 T23 G123 T124 F208T22-D99 WeakPolarHBondContact CA-OD2 3.28Å; T23-D99 PolarHBondContact N-OD2 3.46Å; T23-D99 PolarHBondContact O-N 2.82Å; D99-G123 CarbonylContact O-C 3.5Å; D99-G123 WeakPolarHBondContact O-CA 3.44Å; D99-T124 PolarHBondContact O-N 3Å; D99-F208 HydrophobicContact CB-CE2 3.63Å; D99-F208 HydrophobicContact CB-CZ 4Å
100V97.5Very high94.3Very high1 Ų130.1 Ų30.11%0.00615%0.153CC..EExtended strand (participates in β ladder)trans-144.6141.2-172177.80000111.6T23 I24 M25 I98 L102 T124 Y126 L207 F208T23-V100 PolarHBondContact O-N 3.39Å; I24-V100 CarbonylContact C-O 3.57Å; I24-V100 WeakPolarHBondContact CA-O 3.31Å; M25-V100 PolarHBondContact N-O 2.86Å; I98-V100 WeakPolarHBondContact CG2-O 3.08Å; V100-L102 HydrophobicContact CG1-CD2 3.77Å; V100-L102 HydrophobicContact CG1-CG 4.38Å; V100-T124 CarbonylContact C-O 3.51Å; V100-T124 VanDerWaalsContact CA-O 3.24Å; V100-T124 WeakPolarHBondContact CA-O 3.29Å; V100-Y126 HydrophobicContact CG1-CD2 3.46Å; V100-Y126 VanDerWaalsContact CG1-CD2 3.46Å; V100-Y126 HydrophobicContact CG1-CE2 3.66Å; V100-Y126 HydrophobicContact CG2-CE2 4.3Å; V100-L207 HydrophobicContact CB-CD1 4.3Å; V100-L207 HydrophobicContact CG1-CD1 4.13Å; V100-L207 HydrophobicContact CG2-CD1 4.05Å; V100-L207 HydrophobicContact CG2-CD2 4.09Å; V100-F208 HydrophobicContact CG2-CE2 3.96Å; V100-F208 HydrophobicContact CG2-CZ 4.38Å
101I98.4Very high95Very high0 Ų025.9 Ų25.90%014%0.137CC..EExtended strand (participates in β ladder)trans-113.8128.2168.3-52.2-179.1000108.8M25 I98 I103 L112 I115 F121 T124 V125 Y126M25-I101 HydrophobicContact CB-CB 4.44Å; M25-I101 HydrophobicContact CB-CG1 4.07Å; M25-I101 HydrophobicContact CB-CG2 4.35Å; M25-I101 HydrophobicContact CG-CG2 4.46Å; M25-I101 CarbonylContact O-C 3.6Å; M25-I101 WeakPolarHBondContact O-CA 3.36Å; M25-I101 HydrophobicContact SD-CD1 4.43Å; I98-I101 HydrophobicContact CG2-CG1 4.22Å; I101-I103 HydrophobicContact CG2-CD1 3.66Å; I101-I103 HydrophobicContact CG2-CG1 4.42Å; I101-L112 HydrophobicContact CD1-CD1 3.91Å; I101-I115 HydrophobicContact CD1-CG2 4.14Å; I101-F121 HydrophobicContact CD1-CD1 4.47Å; I101-F121 HydrophobicContact CD1-CD2 4.25Å; I101-F121 HydrophobicContact CD1-CE1 4.07Å; I101-F121 HydrophobicContact CD1-CE2 3.85Å; I101-F121 HydrophobicContact CD1-CZ 3.73Å; I101-F121 HydrophobicContact CG1-CD2 4.49Å; I101-F121 HydrophobicContact CG1-CE1 4.48Å; I101-F121 HydrophobicContact CG1-CE2 3.7Å; I101-F121 HydrophobicContact CG1-CZ 3.68Å; I101-T124 PolarHBondContact N-O 2.84Å; I101-V125 HydrophobicContact CB-CB 4.47Å; I101-V125 HydrophobicContact CB-CG1 4.16Å; I101-V125 HydrophobicContact CB-CG2 4.19Å; I101-V125 HydrophobicContact CD1-CG2 4.23Å; I101-V125 HydrophobicContact CG1-CG2 4.44Å; I101-V125 HydrophobicContact CG2-CG1 4.39Å; I101-V125 CarbonylContact O-C 3.58Å; I101-V125 WeakPolarHBondContact O-CA 3.44Å; I101-Y126 PolarHBondContact O-N 3.47Å
102L98.6Very high95.6Very high0 Ų017.9 Ų17.90%010%0.1CC..EExtended strand (participates in β ladder)trans-105.6124.5172.7-55.8-177.5000109.1I24 M25 L26 D27 V100 Y126 V213 W227 I229I24-L102 HydrophobicContact CG2-CD1 3.77Å; I24-L102 HydrophobicContact CG2-CG 3.78Å; M25-L102 PolarHBondContact O-N 2.8Å; L26-L102 HydrophobicContact CD2-CB 4.42Å; L26-L102 HydrophobicContact CD2-CD1 3.97Å; L26-L102 HydrophobicContact CD2-CG 4.5Å; D27-L102 PolarHBondContact N-O 2.82Å; V100-L102 HydrophobicContact CG1-CD2 3.77Å; V100-L102 HydrophobicContact CG1-CG 4.38Å; L102-Y126 HydrophobicContact CD2-CD2 3.9Å; L102-Y126 HydrophobicContact CD2-CG 4.36Å; L102-V213 HydrophobicContact CD1-CB 4.41Å; L102-V213 HydrophobicContact CD1-CG1 4.12Å; L102-V213 HydrophobicContact CD2-CG2 4.26Å; L102-W227 HydrophobicContact CB-CD2 3.95Å; L102-W227 HydrophobicContact CB-CE3 4.46Å; L102-W227 HydrophobicContact CB-CG 4.17Å; L102-W227 HydrophobicContact CB-CZ2 4.3Å; L102-W227 HydrophobicContact CD1-CB 4.19Å; L102-W227 HydrophobicContact CD1-CD2 3.98Å; L102-W227 HydrophobicContact CD1-CE3 3.97Å; L102-W227 HydrophobicContact CD1-CG 4.08Å; L102-W227 HydrophobicContact CD2-CD2 4.41Å; L102-W227 HydrophobicContact CD2-CE3 4.07Å; L102-W227 HydrophobicContact CD2-CH2 4.21Å; L102-W227 HydrophobicContact CD2-CZ3 3.96Å; L102-W227 HydrophobicContact CG-CD2 4.33Å; L102-W227 HydrophobicContact CG-CE3 4.4Å; L102-I229 HydrophobicContact CD1-CD1 3.98Å; L102-I229 HydrophobicContact CD1-CG1 4.05Å
103I98.6Very high96.1Very high1 Ų115.4 Ų15.41%0.0059%0.087CC..  trans-105.2122.2179.5-54.9-59.7000109.6C28 I101 N105 M109 V125 Y126 A127 T131 W227C28-I103 WeakPolarHBondContact SG-CD1 3.45Å; I101-I103 HydrophobicContact CG2-CD1 3.66Å; I101-I103 HydrophobicContact CG2-CG1 4.42Å; I103-N105 WeakPolarHBondContact CG2-O 3.5Å; I103-M109 HydrophobicContact CD1-CB 4.16Å; I103-M109 HydrophobicContact CG1-CB 4.41Å; I103-M109 HydrophobicContact CG2-CB 3.88Å; I103-M109 HydrophobicContact CG2-CG 4.43Å; I103-M109 HydrophobicContact CG2-SD 4.37Å; I103-V125 HydrophobicContact CD1-CG1 4.44Å; I103-V125 HydrophobicContact CG1-CG1 3.85Å; I103-Y126 PolarHBondContact N-O 3.07Å; I103-A127 HydrophobicContact CB-CB 3.96Å; I103-A127 HydrophobicContact CG1-CB 4.43Å; I103-A127 HydrophobicContact CG2-CB 4.5Å; I103-T131 HydrophobicContact CG2-CG2 3.67Å; I103-W227 WeakPolarHBondContact O-CZ2 3.27Å; I103-W227 PolarHBondContact O-NE1 2.64Å; I103-W227 VanDerWaalsContact O-NE1 3.1Å
104S97.9Very high96.4Very high1 Ų115 Ų151%0.0078%0.084CC..  trans-83.8-39.3178.6-84.90000113.6D27 S224 S225 W227 Y238 S240D27-S104 VanDerWaalsContact OD1-CB 3.27Å; D27-S104 WeakPolarHBondContact OD1-CB 3.2Å; D27-S104 PolarHBondContact OD1-N 3.01Å; S104-S224 CarbonylContact O-C 3.56Å; S104-S224 VanDerWaalsContact O-CA 3.26Å; S104-S224 WeakPolarHBondContact O-CA 3.42Å; S104-S225 WeakPolarHBondContact CA-O 3.36Å; S104-S225 WeakPolarHBondContact CB-O 3.49Å; S104-S225 PolarHBondContact O-N 3.21Å; S104-S225 PolarHBondContact O-OG 2.55Å; S104-S225 PolarHBondContact OG-O 3.19Å; S104-W227 VanDerWaalsContact OG-CD1 3.3Å; S104-Y238 WeakPolarHBondContact OG-CE1 3.47Å; S104-S240 WeakPolarHBondContact CB-OG 3.33Å; S104-S240 WeakPolarHBondContact OG-CB 3.3Å
105N96.4Very high96.5Very high4 Ų410.5 Ų10.52%0.0216%0.06CC..SBendtrans-154.1168.3-179.264.968.2000111.5I103 H107 C108 T131I103-N105 WeakPolarHBondContact CG2-O 3.5Å; N105-H107 VanDerWaalsContact C-N 3.28Å; N105-H107 PolarHBondContact O-N 3.41Å; N105-H107 WeakPolarHBondContact OD1-CB 3.45Å; N105-H107 PolarHBondContact OD1-N 3.2Å; N105-C108 PolarHBondContact ND2-SG 2.8Å; N105-C108 WeakPolarHBondContact O-CB 3.36Å; N105-C108 PolarHBondContact O-N 3.07Å; N105-C108 PolarHBondContact OD1-N 2.88Å; N105-C108 VanDerWaalsContact OD1-N 3.11Å; N105-C108 PolarHBondContact OD1-SG 2.87Å; N105-C108 VanDerWaalsContact OD1-SG 3.35Å; N105-T131 VanDerWaalsContact C-CG2 3.46Å
106Y96.4Very high96.7Very high5 Ų510.5 Ų10.52%0.026%0.061CC..G310 helixtrans-66.7-21.2-172.653.2-108000114.7M109 I134 L138 S221 G305Y106-M109 VanDerWaalsContact O-CG 3.29Å; Y106-M109 WeakPolarHBondContact O-CG 3.34Å; Y106-I134 HydrophobicContact CD1-CB 3.93Å; Y106-I134 HydrophobicContact CD1-CD1 4.12Å; Y106-I134 HydrophobicContact CD1-CG2 3.58Å; Y106-I134 HydrophobicContact CD2-CG2 3.86Å; Y106-I134 HydrophobicContact CE1-CD1 4.21Å; Y106-I134 HydrophobicContact CE1-CG2 3.97Å; Y106-I134 HydrophobicContact CE2-CG2 4.19Å; Y106-I134 HydrophobicContact CG-CB 4.06Å; Y106-I134 HydrophobicContact CG-CG2 3.52Å; Y106-L138 HydrophobicContact CD2-CD1 3.47Å; Y106-L138 VanDerWaalsContact CD2-CD1 3.47Å; Y106-L138 HydrophobicContact CE2-CD1 4.06Å; Y106-L138 HydrophobicContact CG-CD1 4.39Å; Y106-S221 VanDerWaalsContact CE1-OG 3.26Å; Y106-S221 WeakPolarHBondContact CE1-OG 3.31Å; Y106-G305 VanDerWaalsContact OH-CA 3.22Å; Y106-G305 WeakPolarHBondContact OH-CA 3.25Å
107H95.3Very high96.7Very high17 Ų1711.4 Ų11.48%0.0796%0.06CC..G310 helixtrans-77.7-29.6171.5-69.9-74.5000111.9L12 N105 M109 M110 Y302L12-H107 HydrophobicContact CD2-CB 4.19Å; N105-H107 VanDerWaalsContact C-N 3.28Å; N105-H107 PolarHBondContact O-N 3.41Å; N105-H107 WeakPolarHBondContact OD1-CB 3.45Å; N105-H107 PolarHBondContact OD1-N 3.2Å; H107-M109 PolarHBondContact O-N 3.14Å; H107-M110 VanDerWaalsContact O-CG 3.31Å; H107-M110 WeakPolarHBondContact O-CG 3.48Å; H107-M110 PolarHBondContact O-N 2.92Å; H107-Y302 AromaticContact CE1-CD2 3.95Å; H107-Y302 AromaticContact CE1-CE2 3.83Å
108C96.4Very high96.7Very high0 Ų012.9 Ų12.90%06%0.062CC..G310 helixtrans-82.212.5-178.2-680000113.8D27 C28 G29 N105D27-C108 HydrophobicContact CB-CB 3.77Å; D27-C108 VanDerWaalsContact CG-CB 3.48Å; D27-C108 WeakPolarHBondContact OD1-CB 3.44Å; C28-C108 CarbonylContact C-O 3.07Å; C28-C108 WeakPolarHBondContact CA-O 3.43Å; C28-C108 PolarHBondContact N-O 3.35Å; C28-C108 CarbonylContact O-C 3.55Å; C28-C108 PolarHBondContact SG-O 3.02Å; C28-C108 VanDerWaalsContact SG-O 3.39Å; G29-C108 PolarHBondContact N-O 3.47Å; N105-C108 PolarHBondContact ND2-SG 2.8Å; N105-C108 WeakPolarHBondContact O-CB 3.36Å; N105-C108 PolarHBondContact O-N 3.07Å; N105-C108 PolarHBondContact OD1-N 2.88Å; N105-C108 VanDerWaalsContact OD1-N 3.11Å; N105-C108 PolarHBondContact OD1-SG 2.87Å; N105-C108 VanDerWaalsContact OD1-SG 3.35Å
109M96Very high96.4Very high1 Ų114 Ų141%0.0057%0.069CC..G310 helixtrans-1153.317160.2-171-69.600114.1I103 Y106 H107 A111 L112 T131 L132 M139 L193I103-M109 HydrophobicContact CD1-CB 4.16Å; I103-M109 HydrophobicContact CG1-CB 4.41Å; I103-M109 HydrophobicContact CG2-CB 3.88Å; I103-M109 HydrophobicContact CG2-CG 4.43Å; I103-M109 HydrophobicContact CG2-SD 4.37Å; Y106-M109 VanDerWaalsContact O-CG 3.29Å; Y106-M109 WeakPolarHBondContact O-CG 3.34Å; H107-M109 PolarHBondContact O-N 3.14Å; M109-A111 PolarHBondContact O-N 3.27Å; M109-L112 HydrophobicContact CB-CB 4.46Å; M109-L112 WeakPolarHBondContact O-CB 3.43Å; M109-L112 PolarHBondContact O-N 3.16Å; M109-T131 HydrophobicContact SD-CG2 4.08Å; M109-T131 VanDerWaalsContact SD-O 3.35Å; M109-L132 HydrophobicContact CE-CD1 4.03Å; M109-M139 HydrophobicContact CB-CE 4.09Å; M109-M139 HydrophobicContact CE-CE 3.43Å; M109-M139 VanDerWaalsContact CE-CE 3.43Å; M109-M139 HydrophobicContact CG-CE 3.63Å; M109-M139 VanDerWaalsContact O-CE 3.27Å; M109-M139 WeakPolarHBondContact O-CE 3.06Å; M109-M139 HydrophobicContact SD-CE 4.23Å; M109-L193 HydrophobicContact CE-CD2 3.29Å
110M96.9Very high96.2Very high17 Ų1713.9 Ų13.98%0.0848%0.08CC..THydrogen-bonded Turntrans-64.9-22.5-175.5-68.5-55.8-5300113.6C28 L30 H107 L138 M139 L142 Y184C28-M110 PolarHBondContact O-N 2.94Å; L30-M110 HydrophobicContact CB-CB 3.49Å; L30-M110 VanDerWaalsContact CB-CB 3.49Å; L30-M110 HydrophobicContact CD2-CB 4.25Å; H107-M110 VanDerWaalsContact O-CG 3.31Å; H107-M110 WeakPolarHBondContact O-CG 3.48Å; H107-M110 PolarHBondContact O-N 2.92Å; M110-L138 HydrophobicContact SD-CB 3.98Å; M110-M139 HydrophobicContact CE-CG 4Å; M110-M139 HydrophobicContact SD-CG 3.93Å; M110-L142 HydrophobicContact CE-CD2 3.81Å; M110-Y184 WeakPolarHBondContact CE-OH 3.46Å; M110-Y184 WeakPolarHBondContact O-CE1 3.45Å
111A96.8Very high96.2Very high0 Ų014.1 Ų14.10%08%0.081CC..THydrogen-bonded Turntrans-92-0.7173.800000113.5C28 L30 P88 M109 Y114 I115C28-A111 HydrophobicContact CB-CB 4.3Å; C28-A111 VanDerWaalsContact O-CB 3.26Å; C28-A111 WeakPolarHBondContact O-CB 3.47Å; C28-A111 PolarHBondContact O-N 3.36Å; L30-A111 HydrophobicContact CB-CB 4.09Å; L30-A111 HydrophobicContact CD1-CB 4.23Å; P88-A111 HydrophobicContact CG-CB 4.12Å; M109-A111 PolarHBondContact O-N 3.27Å; A111-Y114 WeakPolarHBondContact O-CB 3.33Å; A111-Y114 PolarHBondContact O-N 2.58Å; A111-Y114 VanDerWaalsContact O-N 3.1Å; A111-I115 HydrophobicContact CB-CD1 4.44Å; A111-I115 WeakPolarHBondContact O-CG1 3.34Å; A111-I115 PolarHBondContact O-N 3.38Å
112L97.6Very high96Very high0 Ų020.2 Ų20.20%012%0.118CC..Hα-helixtrans-56-48.2-174.5-172.166.5000112.6I101 M109 Y114 I115 T116 V125 A192 L193 V196I101-L112 HydrophobicContact CD1-CD1 3.91Å; M109-L112 HydrophobicContact CB-CB 4.46Å; M109-L112 WeakPolarHBondContact O-CB 3.43Å; M109-L112 PolarHBondContact O-N 3.16Å; L112-Y114 VanDerWaalsContact C-N 3.27Å; L112-Y114 PolarHBondContact O-N 3.34Å; L112-I115 PolarHBondContact O-N 3.39Å; L112-T116 HydrophobicContact CD1-CG2 3.71Å; L112-T116 HydrophobicContact CG-CG2 3.97Å; L112-T116 PolarHBondContact O-N 3.48Å; L112-T116 PolarHBondContact O-OG1 3.07Å; L112-V125 HydrophobicContact CD1-CG1 4.19Å; L112-V125 HydrophobicContact CD1-CG2 4Å; L112-V125 HydrophobicContact CD2-CG1 4.26Å; L112-A192 HydrophobicContact CG-CB 4.4Å; L112-L193 HydrophobicContact CD2-CD2 4.48Å; L112-V196 HydrophobicContact CD2-CG2 4.08Å
113P97.7Very high95.8Very high0 Ų021 Ų210%013%0.126CC..Hα-helixtrans-60.2-36.3178.7-22.935000113I115 E117 H118 M139 Y184 E188 V189 A192P113-I115 PolarHBondContact O-N 3.22Å; P113-E117 WeakPolarHBondContact O-CB 3.22Å; P113-E117 PolarHBondContact O-N 2.65Å; P113-E117 VanDerWaalsContact O-N 3.09Å; P113-H118 PolarHBondContact O-CD2 3.24Å; P113-M139 HydrophobicContact CG-SD 3.86Å; P113-Y184 HydrophobicContact CB-CD1 3.83Å; P113-Y184 HydrophobicContact CB-CD2 4.48Å; P113-Y184 HydrophobicContact CB-CE1 4.43Å; P113-Y184 HydrophobicContact CB-CG 3.87Å; P113-Y184 HydrophobicContact CG-CD1 3.88Å; P113-Y184 HydrophobicContact CG-CD2 4.33Å; P113-Y184 HydrophobicContact CG-CE1 3.98Å; P113-Y184 HydrophobicContact CG-CE2 4.41Å; P113-Y184 HydrophobicContact CG-CG 4.07Å; P113-E188 HydrophobicContact CB-CB 4.32Å; P113-V189 HydrophobicContact CG-CG2 4.41Å; P113-A192 HydrophobicContact CB-CB 4.16Å; P113-A192 HydrophobicContact CG-CB 4.08Å
114Y96.1Very high95.7Very high7 Ų722.7 Ų22.73%0.02714%0.137CC..Hα-helixtrans-65.7-28.3178-64.2-62.3000113.3L30 L87 R90 A111 L112 H118 K181 R182 C183 Y184L30-Y114 HydrophobicContact CD1-CD2 4.03Å; L30-Y114 HydrophobicContact CD1-CE2 3.76Å; L30-Y114 HydrophobicContact CD2-CE2 3.99Å; L87-Y114 HydrophobicContact CD1-CD1 4.46Å; L87-Y114 HydrophobicContact CD1-CG 4.37Å; L87-Y114 HydrophobicContact CD2-CD1 4.18Å; L87-Y114 HydrophobicContact CD2-CD2 3.37Å; L87-Y114 HydrophobicContact CD2-CE1 4.44Å; L87-Y114 HydrophobicContact CD2-CE2 3.7Å; L87-Y114 HydrophobicContact CD2-CG 3.64Å; R90-Y114 PolarHBondContact NH2-O 3.34Å; A111-Y114 WeakPolarHBondContact O-CB 3.33Å; A111-Y114 PolarHBondContact O-N 2.58Å; A111-Y114 VanDerWaalsContact O-N 3.1Å; L112-Y114 VanDerWaalsContact C-N 3.27Å; L112-Y114 PolarHBondContact O-N 3.34Å; Y114-H118 WeakPolarHBondContact O-CB 3.36Å; Y114-H118 PolarHBondContact O-CD2 3Å; Y114-K181 HydrophobicContact CE1-CB 4.08Å; Y114-R182 WeakPolarHBondContact CE1-O 3.34Å; Y114-R182 PolarHBondContact OH-O 2.95Å; Y114-C183 VanDerWaalsContact OH-CA 3.27Å; Y114-C183 WeakPolarHBondContact OH-CA 3.22Å; Y114-Y184 HydrophobicContact CD2-CD1 4.07Å; Y114-Y184 HydrophobicContact CD2-CE1 4.47Å; Y114-Y184 HydrophobicContact CE1-CD1 4.06Å; Y114-Y184 AromaticContact CE2-CD1 3.53Å; Y114-Y184 HydrophobicContact CE2-CD1 3.53Å; Y114-Y184 AromaticContact CE2-CE1 3.87Å; Y114-Y184 HydrophobicContact CE2-CE1 3.87Å; Y114-Y184 AromaticContact CZ-CD1 3.52Å; Y114-Y184 PolarHBondContact OH-N 3.08Å
115I95.4Very high95.7Very high3 Ų322.7 Ų22.72%0.01514%0.137CC..Hα-helixtrans-85.7-54-179.9-62.8165000109M25 C28 L95 I101 A111 L112 P113 E117 T119 F121M25-I115 HydrophobicContact CE-CD1 3.53Å; M25-I115 HydrophobicContact SD-CD1 4.03Å; C28-I115 HydrophobicContact CB-CD1 3.38Å; L95-I115 HydrophobicContact CD1-CG1 4.33Å; L95-I115 HydrophobicContact CD1-CG2 4.14Å; I101-I115 HydrophobicContact CD1-CG2 4.14Å; A111-I115 HydrophobicContact CB-CD1 4.44Å; A111-I115 WeakPolarHBondContact O-CG1 3.34Å; A111-I115 PolarHBondContact O-N 3.38Å; L112-I115 PolarHBondContact O-N 3.39Å; P113-I115 PolarHBondContact O-N 3.22Å; I115-E117 VanDerWaalsContact C-N 3.35Å; I115-E117 PolarHBondContact O-N 2.78Å; I115-T119 PolarHBondContact O-N 2.93Å; I115-T119 PolarHBondContact O-OG1 3.38Å; I115-F121 HydrophobicContact CG2-CB 4.42Å
116T96.2Very high95.8Very high7 Ų723.6 Ų23.64%0.04314%0.14CC..Hα-helixtrans-66.1-36.2-17358.20000112.8L112 F121 A192 K195L112-T116 HydrophobicContact CD1-CG2 3.71Å; L112-T116 HydrophobicContact CG-CG2 3.97Å; L112-T116 PolarHBondContact O-N 3.48Å; L112-T116 PolarHBondContact O-OG1 3.07Å; T116-F121 HydrophobicContact CG2-CD1 3.82Å; T116-F121 HydrophobicContact CG2-CE1 4.13Å; T116-A192 WeakPolarHBondContact OG1-CB 3.42Å; T116-K195 HydrophobicContact CG2-CD 4.23Å
117E95.6Very high95.9Very high65 Ų6523.4 Ų23.430%0.30414%0.139SC..THydrogen-bonded Turntrans-97.6-17.9-174-49.2-40.9125.400114P113 I115 E188 A192 K195P113-E117 WeakPolarHBondContact O-CB 3.22Å; P113-E117 PolarHBondContact O-N 2.65Å; P113-E117 VanDerWaalsContact O-N 3.09Å; I115-E117 VanDerWaalsContact C-N 3.35Å; I115-E117 PolarHBondContact O-N 2.78Å; E117-E188 HydrophobicContact CB-CG 4.34Å; E117-E188 HydrophobicContact CG-CB 4.08Å; E117-E188 HydrophobicContact CG-CG 4.14Å; E117-A192 WeakPolarHBondContact OE1-CA 3.49Å; E117-A192 PolarHBondContact OE1-N 3.26Å; E117-K195 VanDerWaalsContact CD-NZ 3.33Å; E117-K195 IonicContact OE1-NZ 2.82Å; E117-K195 PolarHBondContact OE1-NZ 3.29Å; E117-K195 IonicContact OE2-NZ 3.19Å; E117-K195 PolarHBondContact OE2-NZ 3.49Å
118H94.1Very high96.1Very high89 Ų8922.6 Ų22.641%0.41214%0.136SC..THydrogen-bonded Turntrans-121-0.4-173.4-48.8-96.6000115.9P113 Y114 E188P113-H118 PolarHBondContact O-CD2 3.24Å; Y114-H118 WeakPolarHBondContact O-CB 3.36Å; Y114-H118 PolarHBondContact O-CD2 3Å; H118-E188 IonicContact CE1-OE1 3.36Å; H118-E188 PolarHBondContact CE1-OE1 2.77Å; H118-E188 IonicContact NE2-OE1 3.57Å; H118-E188 PolarHBondContact NE2-OE1 2.99Å; H118-E188 VanDerWaalsContact NE2-OE1 3.1Å
119T90.8Very high96.1Very high24 Ų2424.9 Ų24.915%0.14715%0.146CC..SBendtrans-125.911.8-176.375.10000114.4L95 S96 I115 F121L95-T119 VanDerWaalsContact CB-OG1 3.31Å; L95-T119 WeakPolarHBondContact CB-OG1 3.39Å; L95-T119 HydrophobicContact CD1-CG2 3.84Å; S96-T119 PolarHBondContact N-O 2.81Å; I115-T119 PolarHBondContact O-N 2.93Å; I115-T119 PolarHBondContact O-OG1 3.38Å; T119-F121 VanDerWaalsContact C-N 3.27Å; T119-F121 PolarHBondContact O-N 2.99Å
120G92.4Very high96.2Very high49 Ų4924.8 Ų24.851%0.50515%0.146SC..  trans71.518.2177.400000114.4T122G120-T122 PolarHBondContact O-N 3.36Å
121F95.9Very high96.3Very high7 Ų724 Ų243%0.03114%0.142CC..  trans-64.3125.8176.9170.4-96.6000111I98 I101 I115 T116 T119 G123 V125I98-F121 HydrophobicContact CB-CD2 4.1Å; I98-F121 HydrophobicContact CB-CE2 4.22Å; I98-F121 HydrophobicContact CG2-CD2 4.24Å; I98-F121 HydrophobicContact CG2-CE2 3.9Å; I98-F121 WeakPolarHBondContact O-CD2 3.37Å; I98-F121 WeakPolarHBondContact O-CE2 3.49Å; I101-F121 HydrophobicContact CD1-CD1 4.47Å; I101-F121 HydrophobicContact CD1-CD2 4.25Å; I101-F121 HydrophobicContact CD1-CE1 4.07Å; I101-F121 HydrophobicContact CD1-CE2 3.85Å; I101-F121 HydrophobicContact CD1-CZ 3.73Å; I101-F121 HydrophobicContact CG1-CD2 4.49Å; I101-F121 HydrophobicContact CG1-CE1 4.48Å; I101-F121 HydrophobicContact CG1-CE2 3.7Å; I101-F121 HydrophobicContact CG1-CZ 3.68Å; I115-F121 HydrophobicContact CG2-CB 4.42Å; T116-F121 HydrophobicContact CG2-CD1 3.82Å; T116-F121 HydrophobicContact CG2-CE1 4.13Å; T119-F121 VanDerWaalsContact C-N 3.27Å; T119-F121 PolarHBondContact O-N 2.99Å; F121-G123 VanDerWaalsContact CE1-O 3.26Å; F121-G123 WeakPolarHBondContact CE1-O 3.47Å; F121-G123 WeakPolarHBondContact CZ-O 3.46Å; F121-V125 HydrophobicContact CE1-CG2 3.89Å; F121-V125 HydrophobicContact CZ-CG2 4.11Å
122T94.8Very high96.4Very high127 Ų12724.5 Ų24.578%0.77915%0.145SC*.  trans-121.47.5178.159.50000113.2G120G120-T122 PolarHBondContact O-N 3.36Å
123G95.1Very high96.4Very high16 Ų1626.2 Ų26.217%0.16515%0.153CC..SBendtrans-76.2-170.1-179.300000113.7D99 F121D99-G123 CarbonylContact O-C 3.5Å; D99-G123 WeakPolarHBondContact O-CA 3.44Å; F121-G123 VanDerWaalsContact CE1-O 3.26Å; F121-G123 WeakPolarHBondContact CE1-O 3.47Å; F121-G123 WeakPolarHBondContact CZ-O 3.46Å
124T95.9Very high96.4Very high38 Ų3826.2 Ų26.223%0.23315%0.153CC..EExtended strand (participates in β ladder)trans-106143.3178.9-54.80000111.1D99 V100 I101 Y126 Q197D99-T124 PolarHBondContact O-N 3Å; V100-T124 CarbonylContact C-O 3.51Å; V100-T124 VanDerWaalsContact CA-O 3.24Å; V100-T124 WeakPolarHBondContact CA-O 3.29Å; I101-T124 PolarHBondContact N-O 2.84Å; T124-Y126 HydrophobicContact CG2-CD2 4.48Å; T124-Y126 HydrophobicContact CG2-CE1 4.04Å; T124-Y126 HydrophobicContact CG2-CE2 3.88Å; T124-Q197 HydrophobicContact CG2-CB 4.17Å; T124-Q197 VanDerWaalsContact CG2-CD 3.4Å; T124-Q197 HydrophobicContact CG2-CG 3.68Å
125V98.4Very high96.5Very high0 Ų025.9 Ų25.90%015%0.152CC..EExtended strand (participates in β ladder)trans-107.2134.4175-173.90000108.9I101 I103 L112 F121 K195 V196 Q197I101-V125 HydrophobicContact CB-CB 4.47Å; I101-V125 HydrophobicContact CB-CG1 4.16Å; I101-V125 HydrophobicContact CB-CG2 4.19Å; I101-V125 HydrophobicContact CD1-CG2 4.23Å; I101-V125 HydrophobicContact CG1-CG2 4.44Å; I101-V125 HydrophobicContact CG2-CG1 4.39Å; I101-V125 CarbonylContact O-C 3.58Å; I101-V125 WeakPolarHBondContact O-CA 3.44Å; I103-V125 HydrophobicContact CD1-CG1 4.44Å; I103-V125 HydrophobicContact CG1-CG1 3.85Å; L112-V125 HydrophobicContact CD1-CG1 4.19Å; L112-V125 HydrophobicContact CD1-CG2 4Å; L112-V125 HydrophobicContact CD2-CG1 4.26Å; F121-V125 HydrophobicContact CE1-CG2 3.89Å; F121-V125 HydrophobicContact CZ-CG2 4.11Å; V125-K195 PolarHBondContact N-O 3.09Å; V125-V196 HydrophobicContact CB-CG2 4.04Å; V125-V196 HydrophobicContact CG1-CG1 4.46Å; V125-V196 HydrophobicContact CG1-CG2 3.92Å; V125-V196 CarbonylContact O-C 3.58Å; V125-V196 WeakPolarHBondContact O-CA 3.4Å; V125-Q197 PolarHBondContact O-N 3.36Å
126Y98.6Very high96.6Very high23 Ų2328.3 Ų28.39%0.0916%0.16CC..EExtended strand (participates in β ladder)trans-116.8132175.4-65.1-74000111.4V100 I101 L102 I103 T124 Q197 V199 V205 L207V100-Y126 HydrophobicContact CG1-CD2 3.46Å; V100-Y126 VanDerWaalsContact CG1-CD2 3.46Å; V100-Y126 HydrophobicContact CG1-CE2 3.66Å; V100-Y126 HydrophobicContact CG2-CE2 4.3Å; I101-Y126 PolarHBondContact O-N 3.47Å; L102-Y126 HydrophobicContact CD2-CD2 3.9Å; L102-Y126 HydrophobicContact CD2-CG 4.36Å; I103-Y126 PolarHBondContact N-O 3.07Å; T124-Y126 HydrophobicContact CG2-CD2 4.48Å; T124-Y126 HydrophobicContact CG2-CE1 4.04Å; T124-Y126 HydrophobicContact CG2-CE2 3.88Å; Y126-Q197 WeakPolarHBondContact CA-O 3.39Å; Y126-Q197 HydrophobicContact CD1-CB 3.7Å; Y126-Q197 HydrophobicContact CE1-CB 3.65Å; Y126-Q197 HydrophobicContact CE1-CG 4.39Å; Y126-Q197 PolarHBondContact OH-OE1 3.4Å; Y126-Q197 VanDerWaalsContact OH-OE1 3.13Å; Y126-V199 HydrophobicContact CD1-CG2 3.41Å; Y126-V199 VanDerWaalsContact CD1-CG2 3.41Å; Y126-V199 HydrophobicContact CE1-CG2 4.29Å; Y126-V199 HydrophobicContact CG-CG2 4.07Å; Y126-V205 HydrophobicContact CE1-CG1 3.92Å; Y126-V205 HydrophobicContact CE2-CG1 4.42Å; Y126-L207 HydrophobicContact CD2-CD2 4.46Å; Y126-L207 HydrophobicContact CE2-CD2 3.61Å
127A98.5Very high96.7Very high1 Ų128.2 Ų28.21%0.00816%0.16CC..EExtended strand (participates in β ladder)trans-150.2163.1175.900000110.5I103 T131 V196 Q197 L198 V199I103-A127 HydrophobicContact CB-CB 3.96Å; I103-A127 HydrophobicContact CG1-CB 4.43Å; I103-A127 HydrophobicContact CG2-CB 4.5Å; A127-T131 HydrophobicContact CB-CG2 4.28Å; A127-V196 HydrophobicContact CB-CG1 3.8Å; A127-Q197 PolarHBondContact N-O 2.77Å; A127-L198 WeakPolarHBondContact O-CA 3.49Å; A127-V199 PolarHBondContact O-N 2.79Å
128T98.4Very high96.8Very high0 Ų025.7 Ų25.70%015%0.148CC..  trans-78156.6168.161.20000110.7T131 L132 V199 Y201 P215 G223 W348T128-T131 WeakPolarHBondContact O-CB 3.44Å; T128-T131 PolarHBondContact O-N 3Å; T128-T131 VanDerWaalsContact OG1-CB 3.22Å; T128-T131 WeakPolarHBondContact OG1-CB 3.16Å; T128-T131 PolarHBondContact OG1-OG1 2.87Å; T128-L132 PolarHBondContact O-N 3.49Å; T128-V199 WeakPolarHBondContact CA-O 3.38Å; T128-Y201 HydrophobicContact CG2-CD1 4.37Å; T128-Y201 HydrophobicContact CG2-CE1 4.06Å; T128-P215 HydrophobicContact CG2-CB 4.5Å; T128-G223 WeakPolarHBondContact CG2-O 3.42Å; T128-G223 PolarHBondContact OG1-O 3.06Å; T128-W348 HydrophobicContact CG2-CH2 3.86Å; T128-W348 HydrophobicContact CG2-CZ3 3.65Å
129E97.9Very high97Very high48 Ų4821.4 Ų21.422%0.22413%0.128CC..Hα-helixtrans-57.9-49.6-178.6178.363.4-160.600113.1T131 L132 Q133 L198 F345 W348E129-T131 VanDerWaalsContact C-N 3.28Å; E129-T131 PolarHBondContact O-N 3.04Å; E129-L132 PolarHBondContact O-N 2.93Å; E129-L132 VanDerWaalsContact O-N 3.15Å; E129-Q133 PolarHBondContact O-N 3.18Å; E129-Q133 WeakPolarHBondContact OE1-CG 3.47Å; E129-Q133 PolarHBondContact OE1-NE2 3.08Å; E129-L198 HydrophobicContact CB-CD2 4.29Å; E129-L198 WeakPolarHBondContact OE2-CD1 3.2Å; E129-L198 WeakPolarHBondContact OE2-CD2 3.41Å; E129-L198 WeakPolarHBondContact OE2-CG 3.39Å; E129-F345 HydrophobicContact CG-CE1 3.63Å; E129-F345 HydrophobicContact CG-CZ 3.95Å; E129-W348 HydrophobicContact CB-CZ2 4.48Å
130P98Very high97.4Very high0 Ų022.8 Ų22.80%013%0.133CC..Hα-helixtrans-66.6-33.5-179.5-16.930000112.3L132 Q133 I134 L222 F345 W348P130-L132 VanDerWaalsContact C-N 3.34Å; P130-Q133 PolarHBondContact O-N 3.35Å; P130-I134 WeakPolarHBondContact O-CB 3.35Å; P130-I134 VanDerWaalsContact O-CG1 3.29Å; P130-I134 WeakPolarHBondContact O-CG1 3.43Å; P130-I134 PolarHBondContact O-N 3.05Å; P130-L222 HydrophobicContact CB-CG 3.95Å; P130-F345 HydrophobicContact CB-CB 4.48Å; P130-F345 HydrophobicContact CB-CD2 3.8Å; P130-F345 HydrophobicContact CB-CE2 4.21Å; P130-F345 HydrophobicContact CB-CG 4.1Å; P130-F345 HydrophobicContact CG-CB 4.13Å; P130-F345 HydrophobicContact CG-CD1 4.2Å; P130-F345 HydrophobicContact CG-CD2 4.12Å; P130-F345 HydrophobicContact CG-CG 3.9Å; P130-W348 HydrophobicContact CG-CB 4.16Å; P130-W348 HydrophobicContact CG-CD2 3.55Å; P130-W348 HydrophobicContact CG-CE3 4.14Å; P130-W348 HydrophobicContact CG-CG 3.5Å; P130-W348 VanDerWaalsContact CG-CG 3.5Å; P130-W348 HydrophobicContact CG-CZ2 4.44Å
131T97.9Very high97.6Very high0 Ų020.6 Ų20.60%011%0.11CC..Hα-helixtrans-60.8-45.2174.2-68.90000110.9I103 N105 M109 A127 T128 E129 G135 G223I103-T131 HydrophobicContact CG2-CG2 3.67Å; N105-T131 VanDerWaalsContact C-CG2 3.46Å; M109-T131 HydrophobicContact SD-CG2 4.08Å; M109-T131 VanDerWaalsContact SD-O 3.35Å; A127-T131 HydrophobicContact CB-CG2 4.28Å; T128-T131 WeakPolarHBondContact O-CB 3.44Å; T128-T131 PolarHBondContact O-N 3Å; T128-T131 VanDerWaalsContact OG1-CB 3.22Å; T128-T131 WeakPolarHBondContact OG1-CB 3.16Å; T128-T131 PolarHBondContact OG1-OG1 2.87Å; E129-T131 VanDerWaalsContact C-N 3.28Å; E129-T131 PolarHBondContact O-N 3.04Å; T131-G135 WeakPolarHBondContact O-CA 3.4Å; T131-G135 PolarHBondContact O-N 3.43Å; T131-G223 PolarHBondContact OG1-O 3.05Å; T131-G223 VanDerWaalsContact OG1-O 3.05Å
132L98.3Very high97.6Very high11 Ų1120.8 Ų20.86%0.05811%0.111CC..Hα-helixtrans-61.7-50.2177.6176.561.9000111.8M109 T128 E129 P130 R136 L193 V196 L198M109-L132 HydrophobicContact CE-CD1 4.03Å; T128-L132 PolarHBondContact O-N 3.49Å; E129-L132 PolarHBondContact O-N 2.93Å; E129-L132 VanDerWaalsContact O-N 3.15Å; P130-L132 VanDerWaalsContact C-N 3.34Å; L132-R136 WeakPolarHBondContact O-CB 3.49Å; L132-R136 PolarHBondContact O-N 2.94Å; L132-L193 HydrophobicContact CD1-CB 4.29Å; L132-L193 HydrophobicContact CD1-CD2 3.68Å; L132-L193 HydrophobicContact CD1-CG 4.44Å; L132-V196 HydrophobicContact CD1-CB 4Å; L132-V196 HydrophobicContact CD1-CG1 4.07Å; L132-V196 HydrophobicContact CD1-CG2 3.97Å; L132-V196 HydrophobicContact CD2-CB 4.42Å; L132-V196 HydrophobicContact CD2-CG1 4.33Å; L132-L198 HydrophobicContact CB-CD2 4.19Å; L132-L198 HydrophobicContact CD2-CD2 3.59Å; L132-L198 HydrophobicContact CD2-CG 4.47Å
133Q98.2Very high97.7Very high36 Ų3614.8 Ų14.817%0.1687%0.074CC..Hα-helixtrans-71.5-42.1-174.3-61.6-57.1-19.500112.6E129 P130 R136 L137 F341 F345E129-Q133 PolarHBondContact O-N 3.18Å; E129-Q133 WeakPolarHBondContact OE1-CG 3.47Å; E129-Q133 PolarHBondContact OE1-NE2 3.08Å; P130-Q133 PolarHBondContact O-N 3.35Å; Q133-R136 WeakPolarHBondContact O-CB 3.2Å; Q133-R136 PolarHBondContact O-N 2.97Å; Q133-L137 WeakPolarHBondContact O-CG 3.4Å; Q133-L137 PolarHBondContact O-N 3.46Å; Q133-L137 VanDerWaalsContact O-N 3.08Å; Q133-F341 HydrophobicContact CB-CD2 4.13Å; Q133-F341 HydrophobicContact CB-CE2 3.81Å; Q133-F341 HydrophobicContact CB-CZ 4.07Å; Q133-F341 HydrophobicContact CG-CZ 4.4Å; Q133-F345 HydrophobicContact CB-CE2 4.04Å; Q133-F345 HydrophobicContact CB-CZ 4.12Å; Q133-F345 HydrophobicContact CG-CE2 4.26Å; Q133-F345 HydrophobicContact CG-CZ 3.82Å
134I98.2Very high97.7Very high0 Ų016.8 Ų16.80%08%0.081CC..Hα-helixtrans-67.4-40.8175.7-63.8170.3000110.3Y106 P130 R136 L137 L138 L222Y106-I134 HydrophobicContact CD1-CB 3.93Å; Y106-I134 HydrophobicContact CD1-CD1 4.12Å; Y106-I134 HydrophobicContact CD1-CG2 3.58Å; Y106-I134 HydrophobicContact CD2-CG2 3.86Å; Y106-I134 HydrophobicContact CE1-CD1 4.21Å; Y106-I134 HydrophobicContact CE1-CG2 3.97Å; Y106-I134 HydrophobicContact CE2-CG2 4.19Å; Y106-I134 HydrophobicContact CG-CB 4.06Å; Y106-I134 HydrophobicContact CG-CG2 3.52Å; P130-I134 WeakPolarHBondContact O-CB 3.35Å; P130-I134 VanDerWaalsContact O-CG1 3.29Å; P130-I134 WeakPolarHBondContact O-CG1 3.43Å; P130-I134 PolarHBondContact O-N 3.05Å; I134-R136 VanDerWaalsContact C-N 3.3Å; I134-R136 PolarHBondContact O-N 3.35Å; I134-L137 PolarHBondContact O-N 2.8Å; I134-L137 VanDerWaalsContact O-N 3.14Å; I134-L138 PolarHBondContact O-N 3.28Å; I134-L222 HydrophobicContact CD1-CB 3.96Å; I134-L222 HydrophobicContact CD1-CD2 4.13Å; I134-L222 HydrophobicContact CD1-CG 4.33Å
135G98.1Very high97.5Very high0 Ų015.1 Ų15.10%07%0.071CC..Hα-helixtrans-59.7-41.4174.800000112.1T131 L137 L138 M139T131-G135 WeakPolarHBondContact O-CA 3.4Å; T131-G135 PolarHBondContact O-N 3.43Å; G135-L137 PolarHBondContact O-N 3.18Å; G135-L138 PolarHBondContact O-N 3.36Å; G135-M139 VanDerWaalsContact O-CG 3.3Å; G135-M139 WeakPolarHBondContact O-CG 3.26Å; G135-M139 PolarHBondContact O-N 3.03Å
136R98.4Very high97.3Very high53 Ų5315.3 Ų15.320%0.27%0.072CC..Hα-helixtrans-55-51.2171.1176.7-172.8-63.6-77.6-2.5111.3L132 Q133 I134 L138 M139 E140 N190 L193L132-R136 WeakPolarHBondContact O-CB 3.49Å; L132-R136 PolarHBondContact O-N 2.94Å; Q133-R136 WeakPolarHBondContact O-CB 3.2Å; Q133-R136 PolarHBondContact O-N 2.97Å; I134-R136 VanDerWaalsContact C-N 3.3Å; I134-R136 PolarHBondContact O-N 3.35Å; R136-L138 VanDerWaalsContact C-N 3.31Å; R136-L138 PolarHBondContact O-N 2.89Å; R136-M139 PolarHBondContact O-N 2.97Å; R136-M139 VanDerWaalsContact O-N 3.16Å; R136-E140 WeakPolarHBondContact CD-OE1 3.41Å; R136-E140 HydrophobicContact CG-CG 4.16Å; R136-E140 WeakPolarHBondContact CG-OE1 3.41Å; R136-E140 WeakPolarHBondContact O-CB 3.24Å; R136-E140 VanDerWaalsContact O-CG 3.3Å; R136-E140 WeakPolarHBondContact O-CG 3.45Å; R136-E140 PolarHBondContact O-N 2.91Å; R136-N190 PolarHBondContact NH1-OD1 3.48Å; R136-L193 HydrophobicContact CB-CD1 3.7Å; R136-L193 HydrophobicContact CG-CD1 3.79Å
137L98Very high96.9Very high5 Ų519.9 Ų19.93%0.0269%0.094CC..Hα-helixtrans-58.7-41.7179.9-64.5-171.7000112.2Q133 I134 G135 E140 E141 V334 F341Q133-L137 WeakPolarHBondContact O-CG 3.4Å; Q133-L137 PolarHBondContact O-N 3.46Å; Q133-L137 VanDerWaalsContact O-N 3.08Å; I134-L137 PolarHBondContact O-N 2.8Å; I134-L137 VanDerWaalsContact O-N 3.14Å; G135-L137 PolarHBondContact O-N 3.18Å; L137-E140 PolarHBondContact O-N 2.84Å; L137-E141 VanDerWaalsContact O-CB 3.3Å; L137-E141 WeakPolarHBondContact O-CB 3.46Å; L137-E141 PolarHBondContact O-N 2.97Å; L137-V334 HydrophobicContact CB-CB 4.04Å; L137-V334 HydrophobicContact CB-CG1 4.23Å; L137-V334 HydrophobicContact CB-CG2 4.09Å; L137-V334 HydrophobicContact CD1-CB 4.36Å; L137-V334 HydrophobicContact CD2-CB 3.98Å; L137-V334 HydrophobicContact CD2-CG1 3.95Å; L137-V334 HydrophobicContact CG-CB 4.33Å; L137-F341 HydrophobicContact CD1-CD2 3.65Å; L137-F341 HydrophobicContact CD1-CE2 3.83Å; L137-F341 HydrophobicContact CD2-CE2 4.1Å; L137-F341 HydrophobicContact CG-CD2 4.25Å; L137-F341 HydrophobicContact CG-CE2 3.99Å
138L97.6Very high96.4Very high12 Ų1223.4 Ų23.46%0.06311%0.107CC..Hα-helixtrans-64.3-41.6176.7-69.4179.8000112.4Y106 M110 I134 G135 R136 L142Y106-L138 HydrophobicContact CD2-CD1 3.47Å; Y106-L138 VanDerWaalsContact CD2-CD1 3.47Å; Y106-L138 HydrophobicContact CE2-CD1 4.06Å; Y106-L138 HydrophobicContact CG-CD1 4.39Å; M110-L138 HydrophobicContact SD-CB 3.98Å; I134-L138 PolarHBondContact O-N 3.28Å; G135-L138 PolarHBondContact O-N 3.36Å; R136-L138 VanDerWaalsContact C-N 3.31Å; R136-L138 PolarHBondContact O-N 2.89Å; L138-L142 WeakPolarHBondContact O-CB 3.18Å; L138-L142 PolarHBondContact O-N 2.84Å
139M98.1Very high95.7Very high0 Ų023.9 Ų23.90%011%0.11CC..Hα-helixtrans-67-42.1176.4-63.6-174.1-146.800111.6M109 M110 P113 G135 R136 L142 V143 Y184 V189 L193M109-M139 HydrophobicContact CB-CE 4.09Å; M109-M139 HydrophobicContact CE-CE 3.43Å; M109-M139 VanDerWaalsContact CE-CE 3.43Å; M109-M139 HydrophobicContact CG-CE 3.63Å; M109-M139 VanDerWaalsContact O-CE 3.27Å; M109-M139 WeakPolarHBondContact O-CE 3.06Å; M109-M139 HydrophobicContact SD-CE 4.23Å; M110-M139 HydrophobicContact CE-CG 4Å; M110-M139 HydrophobicContact SD-CG 3.93Å; P113-M139 HydrophobicContact CG-SD 3.86Å; G135-M139 VanDerWaalsContact O-CG 3.3Å; G135-M139 WeakPolarHBondContact O-CG 3.26Å; G135-M139 PolarHBondContact O-N 3.03Å; R136-M139 PolarHBondContact O-N 2.97Å; R136-M139 VanDerWaalsContact O-N 3.16Å; M139-L142 PolarHBondContact O-N 2.96Å; M139-V143 VanDerWaalsContact O-CG2 3.27Å; M139-V143 WeakPolarHBondContact O-CG2 3.33Å; M139-V143 PolarHBondContact O-N 3.47Å; M139-Y184 HydrophobicContact CB-CE2 4.04Å; M139-Y184 WeakPolarHBondContact CB-OH 3.41Å; M139-Y184 HydrophobicContact CG-CE2 4.4Å; M139-Y184 VanDerWaalsContact CG-OH 3.25Å; M139-Y184 WeakPolarHBondContact CG-OH 3.34Å; M139-V189 HydrophobicContact CB-CG1 3.94Å; M139-V189 HydrophobicContact CB-CG2 3.97Å; M139-V189 HydrophobicContact SD-CG1 4.08Å; M139-V189 HydrophobicContact SD-CG2 4.36Å; M139-L193 HydrophobicContact CE-CD2 3.96Å; M139-L193 HydrophobicContact SD-CD2 4.34Å
140E97.8Very high94.6Very high53 Ų5326.5 Ų26.525%0.24813%0.131CC..Hα-helixtrans-63.8-44.4178.2-73.5177.3-178.700111.6R136 L137 V143 N144 M186 V334R136-E140 WeakPolarHBondContact CD-OE1 3.41Å; R136-E140 HydrophobicContact CG-CG 4.16Å; R136-E140 WeakPolarHBondContact CG-OE1 3.41Å; R136-E140 WeakPolarHBondContact O-CB 3.24Å; R136-E140 VanDerWaalsContact O-CG 3.3Å; R136-E140 WeakPolarHBondContact O-CG 3.45Å; R136-E140 PolarHBondContact O-N 2.91Å; L137-E140 PolarHBondContact O-N 2.84Å; E140-V143 PolarHBondContact O-N 2.89Å; E140-N144 VanDerWaalsContact O-CB 3.25Å; E140-N144 WeakPolarHBondContact O-CB 3.48Å; E140-N144 PolarHBondContact O-N 3.17Å; E140-M186 HydrophobicContact CB-CE 4.06Å; E140-M186 HydrophobicContact CG-CE 3.88Å; E140-M186 HydrophobicContact CG-SD 3.8Å; E140-V334 HydrophobicContact CB-CG1 4.34Å
141E96.9Very high93.5Very high3 Ų328.7 Ų28.71%0.01414%0.14CC..Hα-helixtrans-60.1-46.6174.5-179.3176.9-111.800111.2L137 V143 N144 F145 S332 P333 V334L137-E141 VanDerWaalsContact O-CB 3.3Å; L137-E141 WeakPolarHBondContact O-CB 3.46Å; L137-E141 PolarHBondContact O-N 2.97Å; E141-V143 PolarHBondContact O-N 2.8Å; E141-N144 PolarHBondContact O-N 3.46Å; E141-F145 HydrophobicContact CG-CD1 4.26Å; E141-F145 HydrophobicContact CG-CD2 3.82Å; E141-F145 HydrophobicContact CG-CE1 3.85Å; E141-F145 HydrophobicContact CG-CE2 3.33Å; E141-F145 HydrophobicContact CG-CG 4.32Å; E141-F145 HydrophobicContact CG-CZ 3.38Å; E141-F145 WeakPolarHBondContact O-CB 3.35Å; E141-F145 WeakPolarHBondContact O-CD1 3.39Å; E141-F145 WeakPolarHBondContact O-CG 3.36Å; E141-F145 PolarHBondContact O-N 3.17Å; E141-F145 WeakPolarHBondContact OE1-CZ 3.28Å; E141-S332 WeakPolarHBondContact OE1-CB 3.41Å; E141-S332 PolarHBondContact OE1-OG 3.11Å; E141-P333 HydrophobicContact CB-CG 4.28Å; E141-P333 HydrophobicContact CG-CG 3.98Å; E141-V334 HydrophobicContact CB-CG2 3.96Å
142L96.3Very high92Very high11 Ų1134 Ų346%0.05818%0.184CC..Hα-helixtrans-59.6-48.4179-176.263.4000111.6F85 M110 L138 M139 F145 M146 F404F85-L142 HydrophobicContact CE1-CD1 4.29Å; F85-L142 HydrophobicContact CE1-CD2 4.26Å; F85-L142 HydrophobicContact CZ-CD1 3.9Å; F85-L142 HydrophobicContact CZ-CD2 4.04Å; F85-L142 HydrophobicContact CZ-CG 4.36Å; M110-L142 HydrophobicContact CE-CD2 3.81Å; L138-L142 WeakPolarHBondContact O-CB 3.18Å; L138-L142 PolarHBondContact O-N 2.84Å; M139-L142 PolarHBondContact O-N 2.96Å; L142-F145 PolarHBondContact O-N 2.74Å; L142-M146 VanDerWaalsContact O-CG 3.26Å; L142-M146 WeakPolarHBondContact O-CG 3.3Å; L142-M146 PolarHBondContact O-N 2.89Å; L142-F404 HydrophobicContact CD1-CE2 3.71Å; L142-F404 HydrophobicContact CD1-CZ 3.74Å
143V96.5Very high90.9Very high1 Ų137.3 Ų37.31%0.00620%0.199CC..Hα-helixtrans-60.7-47.4177.6173.50000110.2M139 E140 E141 F145 M146 E147 Y184 M186 V189M139-V143 VanDerWaalsContact O-CG2 3.27Å; M139-V143 WeakPolarHBondContact O-CG2 3.33Å; M139-V143 PolarHBondContact O-N 3.47Å; E140-V143 PolarHBondContact O-N 2.89Å; E141-V143 PolarHBondContact O-N 2.8Å; V143-F145 VanDerWaalsContact C-N 3.31Å; V143-F145 PolarHBondContact O-N 2.84Å; V143-M146 PolarHBondContact O-N 3.47Å; V143-M146 VanDerWaalsContact O-N 3.11Å; V143-E147 HydrophobicContact CG1-CG 4.06Å; V143-E147 WeakPolarHBondContact CG1-OE1 2.89Å; V143-E147 WeakPolarHBondContact O-CB 3.48Å; V143-E147 WeakPolarHBondContact O-CG 3.48Å; V143-E147 PolarHBondContact O-N 3.1Å; V143-Y184 HydrophobicContact CG2-CD2 3.69Å; V143-Y184 HydrophobicContact CG2-CE2 3.59Å; V143-Y184 WeakPolarHBondContact CG2-O 3.44Å; V143-M186 HydrophobicContact CB-CE 3.99Å; V143-M186 HydrophobicContact CG1-CB 4.26Å; V143-M186 HydrophobicContact CG1-CE 3.93Å; V143-V189 HydrophobicContact CG2-CG2 4.15Å
144N95.1Very high90.1Very high57 Ų5737.9 Ų37.931%0.30521%0.207SC..Hα-helixtrans-57.5-44.8178.3-174.6-73.8000111.5E140 E141 M146 E147 R148 P333E140-N144 VanDerWaalsContact O-CB 3.25Å; E140-N144 WeakPolarHBondContact O-CB 3.48Å; E140-N144 PolarHBondContact O-N 3.17Å; E141-N144 PolarHBondContact O-N 3.46Å; N144-M146 VanDerWaalsContact C-N 3.31Å; N144-M146 PolarHBondContact O-N 2.93Å; N144-E147 PolarHBondContact O-N 2.99Å; N144-R148 WeakPolarHBondContact O-CB 3.46Å; N144-R148 VanDerWaalsContact O-CG 3.23Å; N144-R148 WeakPolarHBondContact O-CG 3.2Å; N144-R148 PolarHBondContact O-N 3.49Å; N144-R148 WeakPolarHBondContact OD1-CD 3.37Å; N144-R148 PolarHBondContact OD1-NE 3.09Å; N144-P333 HydrophobicContact CB-CG 4.28Å
145F93.3Very high89.6Confident4 Ų437.9 Ų37.92%0.01821%0.207CC..Hα-helixtrans-62.2-37.8177.4-71-7.7000112.8E141 L142 V143 P333 H399 F404E141-F145 HydrophobicContact CG-CD1 4.26Å; E141-F145 HydrophobicContact CG-CD2 3.82Å; E141-F145 HydrophobicContact CG-CE1 3.85Å; E141-F145 HydrophobicContact CG-CE2 3.33Å; E141-F145 HydrophobicContact CG-CG 4.32Å; E141-F145 HydrophobicContact CG-CZ 3.38Å; E141-F145 WeakPolarHBondContact O-CB 3.35Å; E141-F145 WeakPolarHBondContact O-CD1 3.39Å; E141-F145 WeakPolarHBondContact O-CG 3.36Å; E141-F145 PolarHBondContact O-N 3.17Å; E141-F145 WeakPolarHBondContact OE1-CZ 3.28Å; L142-F145 PolarHBondContact O-N 2.74Å; V143-F145 VanDerWaalsContact C-N 3.31Å; V143-F145 PolarHBondContact O-N 2.84Å; F145-P333 HydrophobicContact CE1-CG 4.05Å; F145-H399 HydrophobicContact CE2-CB 4.31Å; F145-F404 HydrophobicContact CB-CB 4.39Å; F145-F404 HydrophobicContact CB-CD2 4.02Å; F145-F404 AromaticContact CD2-CD2 3.67Å; F145-F404 HydrophobicContact CD2-CD2 3.67Å; F145-F404 HydrophobicContact CD2-CE2 4.16Å; F145-F404 HydrophobicContact CG-CD2 4.28Å
146M92.6Very high89.3Confident4 Ų441.8 Ų41.82%0.0223%0.231CC..Hα-helixtrans-75.5-40.3179.8-67.5-64.3102.900112.8L41 Q82 P83 L142 V143 N144 C183 F404L41-M146 HydrophobicContact CD1-CE 3.92Å; L41-M146 HydrophobicContact CD1-SD 4.34Å; Q82-M146 HydrophobicContact CG-SD 4.42Å; P83-M146 HydrophobicContact CG-SD 4.45Å; L142-M146 VanDerWaalsContact O-CG 3.26Å; L142-M146 WeakPolarHBondContact O-CG 3.3Å; L142-M146 PolarHBondContact O-N 2.89Å; V143-M146 PolarHBondContact O-N 3.47Å; V143-M146 VanDerWaalsContact O-N 3.11Å; N144-M146 VanDerWaalsContact C-N 3.31Å; N144-M146 PolarHBondContact O-N 2.93Å; M146-C183 HydrophobicContact CB-CB 4.09Å; M146-C183 HydrophobicContact CG-CB 3.68Å; M146-F404 HydrophobicContact CE-CB 3.34Å; M146-F404 HydrophobicContact CE-CD1 3.31Å; M146-F404 HydrophobicContact CE-CD2 3.87Å; M146-F404 HydrophobicContact CE-CE1 4.01Å; M146-F404 HydrophobicContact CE-CE2 4.47Å; M146-F404 HydrophobicContact CE-CG 3.22Å
147E90.9Very high88.9Confident118 Ų11842.3 Ų42.355%0.55124%0.242SC*.Hα-helixtrans-74.9-27.8-178.8-70.9-177.6168.800112.9V143 N144 V149 P150V143-E147 HydrophobicContact CG1-CG 4.06Å; V143-E147 WeakPolarHBondContact CG1-OE1 2.89Å; V143-E147 WeakPolarHBondContact O-CB 3.48Å; V143-E147 WeakPolarHBondContact O-CG 3.48Å; V143-E147 PolarHBondContact O-N 3.1Å; N144-E147 PolarHBondContact O-N 2.99Å; E147-V149 VanDerWaalsContact C-N 3.3Å; E147-V149 PolarHBondContact O-N 3.46Å; E147-P150 WeakPolarHBondContact O-CD 3.44Å
148R87.9Confident88.6Confident75 Ų7542 Ų4228%0.28324%0.241SC..Hα-helixtrans-66.6-27.3177.4-80-167.2-64.3148.42113.7L43 N144 S380 D406L43-R148 HydrophobicContact CD2-CB 4.15Å; N144-R148 WeakPolarHBondContact O-CB 3.46Å; N144-R148 VanDerWaalsContact O-CG 3.23Å; N144-R148 WeakPolarHBondContact O-CG 3.2Å; N144-R148 PolarHBondContact O-N 3.49Å; N144-R148 WeakPolarHBondContact OD1-CD 3.37Å; N144-R148 PolarHBondContact OD1-NE 3.09Å; R148-S380 PolarHBondContact NH1-OG 3.31Å; R148-D406 IonicContact CZ-OD1 3.74Å; R148-D406 VanDerWaalsContact CZ-OD1 3.23Å; R148-D406 IonicContact NH1-OD1 3.35Å; R148-D406 PolarHBondContact NH1-OD1 2.89Å; R148-D406 IonicContact NH1-OD2 2.89Å; R148-D406 IonicContact NH2-OD1 2.69Å; R148-D406 PolarHBondContact NH2-OD1 3.08Å
149V83.6Confident88.3Confident11 Ų1143.1 Ų43.17%0.06725%0.245CC..SBendtrans-129.968.5-177.9-165.50000110.7L41 L43 E147 K151L41-V149 HydrophobicContact CB-CB 4.11Å; L41-V149 HydrophobicContact CB-CG1 4.01Å; L43-V149 HydrophobicContact CD2-CG2 3.58Å; L43-V149 HydrophobicContact CG-CG2 4.19Å; E147-V149 VanDerWaalsContact C-N 3.3Å; E147-V149 PolarHBondContact O-N 3.46Å; V149-K151 PolarHBondContact O-N 2.9Å
150P75.2Confident88Confident102 Ų10246.9 Ų46.966%0.66227%0.265SS*.  trans-70.7116.9-179.228.9-30.8000109.7E147E147-P150 WeakPolarHBondContact O-CD 3.44Å
151K75.3Confident87.7Confident47 Ų4749.6 Ų49.620%0.20428%0.276CS..  trans-84.1120.9168.5-81.4-169.5174.51800109.6L41 D80 V149 Q153L41-K151 HydrophobicContact CD2-CD 3.64Å; L41-K151 VanDerWaalsContact CD2-CE 3.43Å; L41-K151 HydrophobicContact CD2-CG 3.95Å; D80-K151 IonicContact OD1-NZ 2.74Å; D80-K151 PolarHBondContact OD1-NZ 2.85Å; V149-K151 PolarHBondContact O-N 2.9Å; K151-Q153 PolarHBondContact O-N 3.35Å
152A66.6Low87.3Confident111 Ų11156.2 Ų56.292%0.91731%0.307SS*.  trans-68.2-23.7173.400000112.6
153Q73.8Confident87.1Confident80 Ų8057 Ų5737%0.37431%0.311SS..  trans-80.5127.7-178.7-173163.59.500111.4K68 S81 K151K68-Q153 PolarHBondContact O-NE2 2.82Å; S81-Q153 PolarHBondContact OG-O 3.38Å; K151-Q153 PolarHBondContact O-N 3.35Å
154S82Confident86.8Confident48 Ų4857.8 Ų57.834%0.33632%0.315SS..  trans-113.5120175.7-1750000109.7R182S154-R182 VanDerWaalsContact CB-NH2 3.32Å; S154-R182 PolarHBondContact OG-NH2 3.05Å
155A88.8Confident86.6Confident0 Ų064 Ų640%033%0.334CS..  trans-92.7114.9174.700000110.1E69 V79 S81 W158E69-A155 HydrophobicContact CB-CB 3.8Å; E69-A155 HydrophobicContact CG-CB 3.88Å; V79-A155 HydrophobicContact CG1-CB 3.47Å; V79-A155 VanDerWaalsContact CG1-CB 3.47Å; S81-A155 PolarHBondContact OG-N 3.26Å; A155-W158 PolarHBondContact O-NE1 2.63Å; A155-W158 VanDerWaalsContact O-NE1 3.08Å
156T90.1Very high86.4Confident83 Ų8368.2 Ų68.251%0.50936%0.355SS..  trans-127.8-27.2-175.755.80000113.4E69 W158 K159E69-T156 VanDerWaalsContact CD-N 3.35Å; E69-T156 PolarHBondContact OE1-N 2.81Å; E69-T156 PolarHBondContact OE2-N 3.42Å; T156-W158 PolarHBondContact O-N 2.7Å; T156-K159 WeakPolarHBondContact O-CB 3.36Å; T156-K159 PolarHBondContact O-N 2.9Å
157C89.9Confident86.3Confident63 Ų6368.3 Ų68.343%0.42636%0.355SS..G310 helixtrans-65.3-41.2-176.8-55.40000111.1L66 E69 K159 N160 I163L66-C157 HydrophobicContact CD2-CB 3.89Å; E69-C157 WeakPolarHBondContact OE1-CB 3.26Å; E69-C157 PolarHBondContact OE1-N 2.83Å; E69-C157 PolarHBondContact OE1-SG 3.23Å; E69-C157 WeakPolarHBondContact OE2-CA 3.29Å; E69-C157 WeakPolarHBondContact OE2-CB 3.4Å; E69-C157 PolarHBondContact OE2-N 2.8Å; C157-K159 PolarHBondContact O-N 2.75Å; C157-K159 VanDerWaalsContact O-N 3.08Å; C157-N160 WeakPolarHBondContact O-CB 3.36Å; C157-N160 PolarHBondContact O-N 3.3Å; C157-I163 WeakPolarHBondContact O-CD1 3.45Å
158W91.9Very high86.4Confident0 Ų064.9 Ų64.90%034%0.343CS..G310 helixtrans-58.5-23.1179.575.6-83.3000114.1F38 L66 E69 L70 V79 A155 T156 N160 L167 L171 V177 W180F38-W158 HydrophobicContact CZ-CZ2 4.15Å; L66-W158 HydrophobicContact CD1-CB 4.5Å; E69-W158 PolarHBondContact OE2-N 3.44Å; L70-W158 HydrophobicContact CD1-CB 4.39Å; L70-W158 HydrophobicContact CD2-CB 4.13Å; L70-W158 HydrophobicContact CD2-CG 4.32Å; L70-W158 HydrophobicContact CG-CB 4.48Å; V79-W158 HydrophobicContact CG1-CZ2 4.29Å; V79-W158 HydrophobicContact CG2-CD2 3.95Å; V79-W158 HydrophobicContact CG2-CE3 4.24Å; V79-W158 HydrophobicContact CG2-CH2 4.12Å; V79-W158 HydrophobicContact CG2-CZ2 3.85Å; V79-W158 HydrophobicContact CG2-CZ3 4.32Å; A155-W158 PolarHBondContact O-NE1 2.63Å; A155-W158 VanDerWaalsContact O-NE1 3.08Å; T156-W158 PolarHBondContact O-N 2.7Å; W158-N160 VanDerWaalsContact C-N 3.27Å; W158-N160 PolarHBondContact O-N 3.04Å; W158-L167 HydrophobicContact CB-CD1 4.27Å; W158-L167 HydrophobicContact CE3-CD1 4.39Å; W158-L171 HydrophobicContact CE3-CD2 4.34Å; W158-L171 HydrophobicContact CZ3-CD2 3.93Å; W158-V177 HydrophobicContact CE3-CG1 4.24Å; W158-V177 HydrophobicContact CH2-CG1 3.24Å; W158-V177 HydrophobicContact CZ2-CG1 3.89Å; W158-V177 HydrophobicContact CZ3-CB 4.49Å; W158-V177 HydrophobicContact CZ3-CG1 3.44Å; W158-V177 VanDerWaalsContact CZ3-CG1 3.44Å; W158-V177 HydrophobicContact CZ3-CG2 4.26Å; W158-W180 HydrophobicContact CH2-CE3 4.12Å; W158-W180 AromaticContact CH2-CZ3 3.78Å; W158-W180 HydrophobicContact CH2-CZ3 3.78Å
159K92.3Very high86.4Confident35 Ų3563.2 Ų63.215%0.15235%0.349CS..G310 helixtrans-74.9-13.1178.7-58.7-164.9172-175.60113.8E84 T156 C157 K161 V177E84-K159 IonicContact OE1-NZ 3.57Å; E84-K159 PolarHBondContact OE1-NZ 3.43Å; E84-K159 WeakPolarHBondContact OE2-CE 3.44Å; E84-K159 IonicContact OE2-NZ 3.82Å; E84-K159 PolarHBondContact OE2-NZ 2.92Å; T156-K159 WeakPolarHBondContact O-CB 3.36Å; T156-K159 PolarHBondContact O-N 2.9Å; C157-K159 PolarHBondContact O-N 2.75Å; C157-K159 VanDerWaalsContact O-N 3.08Å; K159-K161 PolarHBondContact O-N 3.45Å; K159-V177 HydrophobicContact CB-CG1 4.1Å; K159-V177 HydrophobicContact CD-CG1 3.99Å; K159-V177 HydrophobicContact CG-CG1 3.67Å
160N92.3Very high86.7Confident78 Ų7865.3 Ų65.342%0.41736%0.363SS..SBendtrans-61.9130.2176.4-178.9-45.2000109.3C157 W158 E162 I163 Q164C157-N160 WeakPolarHBondContact O-CB 3.36Å; C157-N160 PolarHBondContact O-N 3.3Å; W158-N160 VanDerWaalsContact C-N 3.27Å; W158-N160 PolarHBondContact O-N 3.04Å; N160-E162 PolarHBondContact O-N 3.46Å; N160-E162 PolarHBondContact OD1-N 3.31Å; N160-I163 HydrophobicContact CB-CB 4.16Å; N160-I163 HydrophobicContact CB-CD1 4.01Å; N160-I163 HydrophobicContact CB-CG1 4.05Å; N160-I163 PolarHBondContact O-N 3.46Å; N160-Q164 WeakPolarHBondContact O-CB 3.27Å; N160-Q164 PolarHBondContact O-N 2.78Å
161K89.9Confident87.5Confident111 Ų11160.5 Ų60.548%0.48333%0.332SS..Hα-helixtrans-54.9-36.4-176.4-71.2-175.5175.8-178.30113.6K159 R165 W178K159-K161 PolarHBondContact O-N 3.45Å; K161-R165 WeakPolarHBondContact O-CD 3.27Å; K161-R165 VanDerWaalsContact O-CG 3.25Å; K161-R165 WeakPolarHBondContact O-CG 3.46Å; K161-R165 PolarHBondContact O-N 2.98Å; K161-W178 HydrophobicContact CD-CZ3 4.36Å; K161-W178 HydrophobicContact CG-CZ3 4.4Å
162E89.9Confident88.2Confident142 Ų14263.5 Ų63.566%0.66435%0.345SS*.Hα-helixtrans-70.1-44.3178.5-64.4178.417900110.7N160 R165 M166N160-E162 PolarHBondContact O-N 3.46Å; N160-E162 PolarHBondContact OD1-N 3.31Å; E162-R165 PolarHBondContact O-N 3.26Å; E162-M166 VanDerWaalsContact O-CE 3.31Å; E162-M166 WeakPolarHBondContact O-CE 3.33Å
163I90.7Very high89.4Confident28 Ų2864 Ų6414%0.14433%0.332CS..Hα-helixtrans-65.1-49.2178.3-62.7-178.6000110.5L64 L66 C157 N160 R165 M166 L167L64-I163 HydrophobicContact CD2-CD1 4.35Å; L64-I163 HydrophobicContact CD2-CG1 4.08Å; L66-I163 HydrophobicContact CD1-CG2 3.64Å; C157-I163 WeakPolarHBondContact O-CD1 3.45Å; N160-I163 HydrophobicContact CB-CB 4.16Å; N160-I163 HydrophobicContact CB-CD1 4.01Å; N160-I163 HydrophobicContact CB-CG1 4.05Å; N160-I163 PolarHBondContact O-N 3.46Å; I163-R165 PolarHBondContact O-N 3.39Å; I163-M166 WeakPolarHBondContact O-CB 3.39Å; I163-M166 PolarHBondContact O-N 2.85Å; I163-L167 PolarHBondContact O-N 3.2Å
164Q91.4Very high90.1Very high16 Ų1660.9 Ų60.98%0.07532%0.32CS..Hα-helixtrans-54-40.5-179.6-171-169.5-1.100112.1N160 M166 L167 L171 A174N160-Q164 WeakPolarHBondContact O-CB 3.27Å; N160-Q164 PolarHBondContact O-N 2.78Å; Q164-M166 PolarHBondContact O-N 3.22Å; Q164-L167 WeakPolarHBondContact O-CB 3.47Å; Q164-L167 PolarHBondContact O-N 2.92Å; Q164-L167 VanDerWaalsContact O-N 3.13Å; Q164-L171 WeakPolarHBondContact CG-O 3.26Å; Q164-L171 PolarHBondContact NE2-O 3.23Å; Q164-A174 PolarHBondContact NE2-O 2.98Å
165R90.8Very high90.2Very high188 Ų18862.6 Ų62.671%0.70933%0.329SS*.Hα-helixtrans-62.8-26178.7-76.4171.3177.8-176.9-0.1113.7K161 E162 I163K161-R165 WeakPolarHBondContact O-CD 3.27Å; K161-R165 VanDerWaalsContact O-CG 3.25Å; K161-R165 WeakPolarHBondContact O-CG 3.46Å; K161-R165 PolarHBondContact O-N 2.98Å; E162-R165 PolarHBondContact O-N 3.26Å; I163-R165 PolarHBondContact O-N 3.39Å
166M89.3Confident89.9Confident93 Ų9364.1 Ų64.146%0.45834%0.336SS..Hα-helixtrans-89.5-13.3179.3-62.5-175.1-78.800112.8L64 E162 I163 Q164L64-M166 HydrophobicContact CD1-CB 4.18Å; L64-M166 HydrophobicContact CD1-CE 3.25Å; L64-M166 HydrophobicContact CD1-CG 4.48Å; L64-M166 HydrophobicContact CD1-SD 3.51Å; L64-M166 VanDerWaalsContact CD1-SD 3.51Å; L64-M166 HydrophobicContact CD2-CE 4.12Å; L64-M166 HydrophobicContact CG-CE 4.24Å; E162-M166 VanDerWaalsContact O-CE 3.31Å; E162-M166 WeakPolarHBondContact O-CE 3.33Å; I163-M166 WeakPolarHBondContact O-CB 3.39Å; I163-M166 PolarHBondContact O-N 2.85Å; Q164-M166 PolarHBondContact O-N 3.22Å
167L90.9Very high89.9Confident5 Ų560.1 Ų60.13%0.02631%0.312CS..SBendtrans-70.6157.1176.1-59.5-179.9000111.1W57 L66 L70 W158 I163 Q164 L171 K172W57-L167 HydrophobicContact CE3-CD2 4.17Å; W57-L167 HydrophobicContact CH2-CD2 3.69Å; W57-L167 HydrophobicContact CZ2-CD2 4.24Å; W57-L167 HydrophobicContact CZ3-CD2 3.65Å; L66-L167 HydrophobicContact CD1-CD2 4.17Å; L70-L167 HydrophobicContact CD1-CD1 4.34Å; L70-L167 HydrophobicContact CD1-CD2 3.61Å; W158-L167 HydrophobicContact CB-CD1 4.27Å; W158-L167 HydrophobicContact CE3-CD1 4.39Å; I163-L167 PolarHBondContact O-N 3.2Å; Q164-L167 WeakPolarHBondContact O-CB 3.47Å; Q164-L167 PolarHBondContact O-N 2.92Å; Q164-L167 VanDerWaalsContact O-N 3.13Å; L167-L171 HydrophobicContact CB-CB 4.16Å; L167-L171 HydrophobicContact CD1-CB 3.93Å; L167-L171 HydrophobicContact CD1-CD1 4.13Å; L167-K172 WeakPolarHBondContact O-CB 3.4Å
168P91.4Very high89.8Confident47 Ų4762.5 Ų62.531%0.30531%0.312SS..PPolyproline II helixtrans-71.4156.4166.928.6-31.7000111.3V77 L171 K172V77-P168 HydrophobicContact CB-CG 3.96Å; V77-P168 HydrophobicContact CG2-CG 3.38Å; P168-L171 PolarHBondContact O-N 3.12Å; P168-K172 PolarHBondContact O-N 3Å
169G88.5Confident89.6Confident39 Ų3963.9 Ų63.940%0.40232%0.32SS..THydrogen-bonded Turntrans-62.5145.5166.200000110.3
170P89.3Confident89.6Confident56 Ų5662.7 Ų62.736%0.36432%0.315SS..THydrogen-bonded Turncis-83.8-13.411.2-12.730.1000115.9K172 D173 A174P170-K172 VanDerWaalsContact C-N 3.26Å; P170-K172 PolarHBondContact O-N 3.13Å; P170-D173 PolarHBondContact O-N 3.34Å; P170-D173 VanDerWaalsContact O-N 3.08Å; P170-A174 PolarHBondContact O-N 2.66Å; P170-A174 VanDerWaalsContact O-N 3.15Å
171L91.6Very high89.6Confident0 Ų063.9 Ų63.90%032%0.316CS..G310 helixtrans-61.7-35.2-175.6-66.1175.8000112.6N37 L70 V77 V79 W158 Q164 L167 P168 D173 A174N37-L171 HydrophobicContact CB-CD2 3.69Å; L70-L171 HydrophobicContact CD2-CD1 4.21Å; V77-L171 HydrophobicContact CB-CD1 4.18Å; V77-L171 HydrophobicContact CG1-CD1 3.86Å; V79-L171 HydrophobicContact CG2-CD1 4.36Å; V79-L171 HydrophobicContact CG2-CD2 3.87Å; W158-L171 HydrophobicContact CE3-CD2 4.34Å; W158-L171 HydrophobicContact CZ3-CD2 3.93Å; Q164-L171 WeakPolarHBondContact CG-O 3.26Å; Q164-L171 PolarHBondContact NE2-O 3.23Å; L167-L171 HydrophobicContact CB-CB 4.16Å; L167-L171 HydrophobicContact CD1-CB 3.93Å; L167-L171 HydrophobicContact CD1-CD1 4.13Å; P168-L171 PolarHBondContact O-N 3.12Å; L171-D173 VanDerWaalsContact C-N 3.31Å; L171-D173 PolarHBondContact O-N 3.48Å; L171-A174 WeakPolarHBondContact O-CB 3.5Å; L171-A174 PolarHBondContact O-N 2.87Å
172K91.8Very high89.8Confident111 Ų11163.7 Ų63.748%0.48331%0.313SS..G310 helixtrans-59.7-40.2174.4-172.6179.4174.1-178.70113.5L167 P168 P170L167-K172 WeakPolarHBondContact O-CB 3.4Å; P168-K172 PolarHBondContact O-N 3Å; P170-K172 VanDerWaalsContact C-N 3.26Å; P170-K172 PolarHBondContact O-N 3.13Å
173D90.2Very high90Very high120 Ų12058 Ų5864%0.64229%0.288SS*.G310 helixtrans-93-3.3-171.3-52-48.8000111.9P170 L171 V175P170-D173 PolarHBondContact O-N 3.34Å; P170-D173 VanDerWaalsContact O-N 3.08Å; L171-D173 VanDerWaalsContact C-N 3.31Å; L171-D173 PolarHBondContact O-N 3.48Å; D173-V175 PolarHBondContact O-N 3.14Å
174A89.2Confident90.3Very high16 Ų1657 Ų5713%0.13228%0.283CS..  trans-63.1128.2178.200000111.7Q164 P170 L171 V177 W180Q164-A174 PolarHBondContact NE2-O 2.98Å; P170-A174 PolarHBondContact O-N 2.66Å; P170-A174 VanDerWaalsContact O-N 3.15Å; L171-A174 WeakPolarHBondContact O-CB 3.5Å; L171-A174 PolarHBondContact O-N 2.87Å; A174-V177 HydrophobicContact CB-CG2 3.61Å; A174-W180 HydrophobicContact CB-CH2 3.87Å; A174-W180 HydrophobicContact CB-CZ2 3.87Å
175V84.6Confident90.6Very high84 Ų8458.2 Ų58.251%0.50929%0.293SS..SBendtrans-86.9134.7-174.9-179.10000110.8D173 V177 W180D173-V175 PolarHBondContact O-N 3.14Å; V175-V177 VanDerWaalsContact C-N 3.31Å; V175-V177 PolarHBondContact O-N 3.13Å; V175-W180 PolarHBondContact O-NE1 3.32Å
176D82.3Confident90.9Very high31 Ų3152.1 Ų52.117%0.16627%0.273CS..  trans49.143.3171.2-57.3-32.4000115W178 T179 R503D176-W178 HydrophobicContact CB-CH2 4.33Å; D176-W178 HydrophobicContact CB-CZ2 4.16Å; D176-W178 PolarHBondContact O-N 2.97Å; D176-W178 WeakPolarHBondContact OD1-CH2 3.45Å; D176-W178 WeakPolarHBondContact OD1-CZ2 3.45Å; D176-T179 HydrophobicContact CB-CG2 4Å; D176-T179 WeakPolarHBondContact O-CB 3.31Å; D176-T179 PolarHBondContact O-N 3.24Å; D176-T179 PolarHBondContact O-OG1 2.95Å; D176-R503 IonicContact OD2-CZ 3.93Å; D176-R503 IonicContact OD2-NE 3.23Å; D176-R503 PolarHBondContact OD2-NE 3.2Å; D176-R503 IonicContact OD2-NH2 2.64Å
177V89.9Confident91.3Very high0 Ų054.8 Ų54.80%029%0.285CS..G310 helixtrans-53.9-29.7-175.9-179.30000113.8W158 K159 A174 V175 T179 W180W158-V177 HydrophobicContact CE3-CG1 4.24Å; W158-V177 HydrophobicContact CH2-CG1 3.24Å; W158-V177 HydrophobicContact CZ2-CG1 3.89Å; W158-V177 HydrophobicContact CZ3-CB 4.49Å; W158-V177 HydrophobicContact CZ3-CG1 3.44Å; W158-V177 VanDerWaalsContact CZ3-CG1 3.44Å; W158-V177 HydrophobicContact CZ3-CG2 4.26Å; K159-V177 HydrophobicContact CB-CG1 4.1Å; K159-V177 HydrophobicContact CD-CG1 3.99Å; K159-V177 HydrophobicContact CG-CG1 3.67Å; A174-V177 HydrophobicContact CB-CG2 3.61Å; V175-V177 VanDerWaalsContact C-N 3.31Å; V175-V177 PolarHBondContact O-N 3.13Å; V177-T179 PolarHBondContact O-N 3.32Å; V177-W180 HydrophobicContact CG1-CD2 4.31Å; V177-W180 HydrophobicContact CG1-CE3 4.3Å; V177-W180 HydrophobicContact CG2-CH2 4.31Å; V177-W180 HydrophobicContact CG2-CZ2 4Å; V177-W180 WeakPolarHBondContact O-CB 3.44Å; V177-W180 PolarHBondContact O-N 3.46Å; V177-W180 VanDerWaalsContact O-N 3.17Å
178W87.1Confident91.6Very high113 Ų11356.9 Ų56.943%0.42829%0.294SS..G310 helixtrans-67-22.6176.662.985.3000113.3K161 D176 W180K161-W178 HydrophobicContact CD-CZ3 4.36Å; K161-W178 HydrophobicContact CG-CZ3 4.4Å; D176-W178 HydrophobicContact CB-CH2 4.33Å; D176-W178 HydrophobicContact CB-CZ2 4.16Å; D176-W178 PolarHBondContact O-N 2.97Å; D176-W178 WeakPolarHBondContact OD1-CH2 3.45Å; D176-W178 WeakPolarHBondContact OD1-CZ2 3.45Å; W178-W180 VanDerWaalsContact C-N 3.32Å
179T87.9Confident92Very high28 Ų2854.6 Ų54.617%0.17228%0.28CS..G310 helixtrans-82-13.6176.269.40000112.6D176 V177 K181D176-T179 HydrophobicContact CB-CG2 4Å; D176-T179 WeakPolarHBondContact O-CB 3.31Å; D176-T179 PolarHBondContact O-N 3.24Å; D176-T179 PolarHBondContact O-OG1 2.95Å; V177-T179 PolarHBondContact O-N 3.32Å; T179-K181 PolarHBondContact O-N 3.18Å
180W92.7Very high92.4Very high10 Ų1056.2 Ų56.24%0.03828%0.279CS..  trans-66.2136-176.1-63.410.4000110.6N37 F38 E84 F85 W158 A174 V175 V177 W178N37-W180 WeakPolarHBondContact ND2-CH2 3.39Å; F38-W180 HydrophobicContact CE2-CE3 4.11Å; F38-W180 AromaticContact CE2-CZ3 3.91Å; F38-W180 HydrophobicContact CE2-CZ3 3.91Å; F38-W180 HydrophobicContact CZ-CE3 4.31Å; F38-W180 HydrophobicContact CZ-CZ3 4.38Å; E84-W180 HydrophobicContact CB-CB 3.96Å; E84-W180 HydrophobicContact CB-CE3 4.49Å; F85-W180 WeakPolarHBondContact O-CA 3.22Å; W158-W180 HydrophobicContact CH2-CE3 4.12Å; W158-W180 AromaticContact CH2-CZ3 3.78Å; W158-W180 HydrophobicContact CH2-CZ3 3.78Å; A174-W180 HydrophobicContact CB-CH2 3.87Å; A174-W180 HydrophobicContact CB-CZ2 3.87Å; V175-W180 PolarHBondContact O-NE1 3.32Å; V177-W180 HydrophobicContact CG1-CD2 4.31Å; V177-W180 HydrophobicContact CG1-CE3 4.3Å; V177-W180 HydrophobicContact CG2-CH2 4.31Å; V177-W180 HydrophobicContact CG2-CZ2 4Å; V177-W180 WeakPolarHBondContact O-CB 3.44Å; V177-W180 PolarHBondContact O-N 3.46Å; V177-W180 VanDerWaalsContact O-N 3.17Å; W178-W180 VanDerWaalsContact C-N 3.32Å
181K92.9Very high92.8Very high103 Ų10355.7 Ų55.745%0.44828%0.276SS..EExtended strand (participates in β ladder)trans-123.3150.5-178.2-67.1-60.7-175.9177.20111E84 F85 L87 Y114 T179E84-K181 CarbonylContact C-O 3.54Å; E84-K181 VanDerWaalsContact CA-O 3.26Å; E84-K181 WeakPolarHBondContact CA-O 3.29Å; E84-K181 WeakPolarHBondContact CB-O 3.23Å; F85-K181 PolarHBondContact N-O 2.84Å; F85-K181 PolarHBondContact O-N 3.05Å; L87-K181 HydrophobicContact CD1-CB 3.97Å; L87-K181 HydrophobicContact CD1-CG 3.38Å; L87-K181 HydrophobicContact CG-CB 4.34Å; L87-K181 HydrophobicContact CG-CG 4.16Å; Y114-K181 HydrophobicContact CE1-CB 4.08Å; T179-K181 PolarHBondContact O-N 3.18Å
182R93.5Very high93.1Very high108 Ų10855.7 Ų55.741%0.40828%0.276SS..EExtended strand (participates in β ladder)trans-66.7161.6168.2-61.6177.4-175.3-179.81.7109.8E84 Y114 S154E84-R182 HydrophobicContact CG-CG 4.03Å; Y114-R182 WeakPolarHBondContact CE1-O 3.34Å; Y114-R182 PolarHBondContact OH-O 2.95Å; S154-R182 VanDerWaalsContact CB-NH2 3.32Å; S154-R182 PolarHBondContact OG-NH2 3.05Å
183C94.8Very high93.4Very high22 Ų2250.6 Ų50.615%0.14925%0.254CS..PPolyproline II helixtrans-49.6138.6174.5-1670000111.8F85 Y114 M146F85-C183 HydrophobicContact CE2-CB 3.94Å; Y114-C183 VanDerWaalsContact OH-CA 3.27Å; Y114-C183 WeakPolarHBondContact OH-CA 3.22Å; M146-C183 HydrophobicContact CB-CB 4.09Å; M146-C183 HydrophobicContact CG-CB 3.68Å
184Y96.4Very high93.7Very high8 Ų849.4 Ų49.43%0.03126%0.256CS..PPolyproline II helixtrans-63.6166.4166.846.6-108000111.2M110 P113 Y114 M139 V143 E188 V189M110-Y184 WeakPolarHBondContact CE-OH 3.46Å; M110-Y184 WeakPolarHBondContact O-CE1 3.45Å; P113-Y184 HydrophobicContact CB-CD1 3.83Å; P113-Y184 HydrophobicContact CB-CD2 4.48Å; P113-Y184 HydrophobicContact CB-CE1 4.43Å; P113-Y184 HydrophobicContact CB-CG 3.87Å; P113-Y184 HydrophobicContact CG-CD1 3.88Å; P113-Y184 HydrophobicContact CG-CD2 4.33Å; P113-Y184 HydrophobicContact CG-CE1 3.98Å; P113-Y184 HydrophobicContact CG-CE2 4.41Å; P113-Y184 HydrophobicContact CG-CG 4.07Å; Y114-Y184 HydrophobicContact CD2-CD1 4.07Å; Y114-Y184 HydrophobicContact CD2-CE1 4.47Å; Y114-Y184 HydrophobicContact CE1-CD1 4.06Å; Y114-Y184 AromaticContact CE2-CD1 3.53Å; Y114-Y184 HydrophobicContact CE2-CD1 3.53Å; Y114-Y184 AromaticContact CE2-CE1 3.87Å; Y114-Y184 HydrophobicContact CE2-CE1 3.87Å; Y114-Y184 AromaticContact CZ-CD1 3.52Å; Y114-Y184 PolarHBondContact OH-N 3.08Å; M139-Y184 HydrophobicContact CB-CE2 4.04Å; M139-Y184 WeakPolarHBondContact CB-OH 3.41Å; M139-Y184 HydrophobicContact CG-CE2 4.4Å; M139-Y184 VanDerWaalsContact CG-OH 3.25Å; M139-Y184 WeakPolarHBondContact CG-OH 3.34Å; V143-Y184 HydrophobicContact CG2-CD2 3.69Å; V143-Y184 HydrophobicContact CG2-CE2 3.59Å; V143-Y184 WeakPolarHBondContact CG2-O 3.44Å; Y184-E188 WeakPolarHBondContact CA-OE2 3.48Å; Y184-V189 HydrophobicContact CD2-CG2 3.3Å; Y184-V189 HydrophobicContact CE2-CG2 3.25Å; Y184-V189 HydrophobicContact CG-CG2 4.4Å
185S96.9Very high94Very high41 Ų4151.7 Ų51.729%0.28726%0.263SS..PPolyproline II helixtrans-90.2163.1176.464.70000112.7Q187 E188 V189S185-Q187 PolarHBondContact O-N 3Å; S185-E188 WeakPolarHBondContact CB-OE2 3.18Å; S185-E188 PolarHBondContact N-OE2 2.83Å; S185-E188 PolarHBondContact O-N 3.04Å; S185-E188 WeakPolarHBondContact OG-CG 3.46Å; S185-E188 PolarHBondContact OG-N 3.32Å; S185-E188 PolarHBondContact OG-OE2 2.62Å; S185-V189 WeakPolarHBondContact O-CG2 3.41Å; S185-V189 PolarHBondContact O-N 3.17Å
186M97.7Very high94.6Very high59 Ų5948.6 Ų48.629%0.29124%0.244SC..Hα-helixtrans-61.1-29.7173.7-167.959.268.900113E140 V143 V189 N190E140-M186 HydrophobicContact CB-CE 4.06Å; E140-M186 HydrophobicContact CG-CE 3.88Å; E140-M186 HydrophobicContact CG-SD 3.8Å; V143-M186 HydrophobicContact CB-CE 3.99Å; V143-M186 HydrophobicContact CG1-CB 4.26Å; V143-M186 HydrophobicContact CG1-CE 3.93Å; M186-V189 HydrophobicContact SD-CB 4.44Å; M186-N190 PolarHBondContact O-N 3.18Å; M186-N190 PolarHBondContact O-ND2 3.35Å
187Q97.9Very high95.4Very high150 Ų15051.9 Ų51.970%0.70126%0.258SS*.Hα-helixtrans-65.3-47.1175.3-177.8178.8-11.200110.9S185 V189 N190 S191S185-Q187 PolarHBondContact O-N 3Å; Q187-V189 VanDerWaalsContact C-N 3.32Å; Q187-V189 PolarHBondContact O-N 2.64Å; Q187-N190 PolarHBondContact O-N 2.85Å; Q187-S191 WeakPolarHBondContact O-CB 3.22Å; Q187-S191 PolarHBondContact O-N 3.48Å; Q187-S191 PolarHBondContact O-OG 3.22Å
188E97.9Very high95.8Very high48 Ų4856 Ų5622%0.22428%0.28CS..Hα-helixtrans-63.1-39.1177.7-71162.1138.700111.4P113 E117 H118 Y184 S185 S191 A192P113-E188 HydrophobicContact CB-CB 4.32Å; E117-E188 HydrophobicContact CB-CG 4.34Å; E117-E188 HydrophobicContact CG-CB 4.08Å; E117-E188 HydrophobicContact CG-CG 4.14Å; H118-E188 IonicContact CE1-OE1 3.36Å; H118-E188 PolarHBondContact CE1-OE1 2.77Å; H118-E188 IonicContact NE2-OE1 3.57Å; H118-E188 PolarHBondContact NE2-OE1 2.99Å; H118-E188 VanDerWaalsContact NE2-OE1 3.1Å; Y184-E188 WeakPolarHBondContact CA-OE2 3.48Å; S185-E188 WeakPolarHBondContact CB-OE2 3.18Å; S185-E188 PolarHBondContact N-OE2 2.83Å; S185-E188 PolarHBondContact O-N 3.04Å; S185-E188 WeakPolarHBondContact OG-CG 3.46Å; S185-E188 PolarHBondContact OG-N 3.32Å; S185-E188 PolarHBondContact OG-OE2 2.62Å; E188-S191 PolarHBondContact O-N 3.11Å; E188-A192 VanDerWaalsContact O-CB 3.22Å; E188-A192 WeakPolarHBondContact O-CB 3.37Å; E188-A192 PolarHBondContact O-N 3.47Å
189V98.2Very high96.3Very high0 Ų050.9 Ų50.90%026%0.261CS..Hα-helixtrans-56.5-54.4172.2174.30000110.5P113 M139 V143 Y184 S185 M186 Q187 S191 A192 L193P113-V189 HydrophobicContact CG-CG2 4.41Å; M139-V189 HydrophobicContact CB-CG1 3.94Å; M139-V189 HydrophobicContact CB-CG2 3.97Å; M139-V189 HydrophobicContact SD-CG1 4.08Å; M139-V189 HydrophobicContact SD-CG2 4.36Å; V143-V189 HydrophobicContact CG2-CG2 4.15Å; Y184-V189 HydrophobicContact CD2-CG2 3.3Å; Y184-V189 HydrophobicContact CE2-CG2 3.25Å; Y184-V189 HydrophobicContact CG-CG2 4.4Å; S185-V189 WeakPolarHBondContact O-CG2 3.41Å; S185-V189 PolarHBondContact O-N 3.17Å; M186-V189 HydrophobicContact SD-CB 4.44Å; Q187-V189 VanDerWaalsContact C-N 3.32Å; Q187-V189 PolarHBondContact O-N 2.64Å; V189-S191 PolarHBondContact O-N 2.61Å; V189-A192 PolarHBondContact O-N 3.06Å; V189-L193 HydrophobicContact CG1-CD1 3.64Å; V189-L193 HydrophobicContact CG1-CG 4.25Å; V189-L193 WeakPolarHBondContact O-CB 3.25Å; V189-L193 VanDerWaalsContact O-CG 3.22Å; V189-L193 WeakPolarHBondContact O-CG 3.35Å; V189-L193 PolarHBondContact O-N 3.05Å
190N98.1Very high96.8Very high73 Ų7350.8 Ų50.839%0.3927%0.266SS..Hα-helixtrans-63-40.8-177.4-74.3-47.5000112.7R136 M186 Q187 S194R136-N190 PolarHBondContact NH1-OD1 3.48Å; M186-N190 PolarHBondContact O-N 3.18Å; M186-N190 PolarHBondContact O-ND2 3.35Å; Q187-N190 PolarHBondContact O-N 2.85Å; N190-S194 PolarHBondContact O-N 3.32Å; N190-S194 VanDerWaalsContact O-N 3.09Å
191S97.6Very high97Very high44 Ų4452.3 Ų52.331%0.30827%0.272SS..Hα-helixtrans-68.2-32176.7-66.50000113.5Q187 E188 V189 S194 K195Q187-S191 WeakPolarHBondContact O-CB 3.22Å; Q187-S191 PolarHBondContact O-N 3.48Å; Q187-S191 PolarHBondContact O-OG 3.22Å; E188-S191 PolarHBondContact O-N 3.11Å; V189-S191 PolarHBondContact O-N 2.61Å; S191-S194 PolarHBondContact O-OG 2.89Å; S191-K195 PolarHBondContact O-NZ 2.83Å
192A97.6Very high97.2Very high0 Ų050.9 Ų50.90%027%0.274CS..Hα-helixtrans-72.1-48.3174.900000111L112 P113 T116 E117 E188 V189 S194 K195L112-A192 HydrophobicContact CG-CB 4.4Å; P113-A192 HydrophobicContact CB-CB 4.16Å; P113-A192 HydrophobicContact CG-CB 4.08Å; T116-A192 WeakPolarHBondContact OG1-CB 3.42Å; E117-A192 WeakPolarHBondContact OE1-CA 3.49Å; E117-A192 PolarHBondContact OE1-N 3.26Å; E188-A192 VanDerWaalsContact O-CB 3.22Å; E188-A192 WeakPolarHBondContact O-CB 3.37Å; E188-A192 PolarHBondContact O-N 3.47Å; V189-A192 PolarHBondContact O-N 3.06Å; A192-S194 VanDerWaalsContact C-N 3.29Å; A192-S194 PolarHBondContact O-N 3.04Å; A192-K195 WeakPolarHBondContact O-CB 3.12Å; A192-K195 PolarHBondContact O-N 3.4Å; A192-K195 VanDerWaalsContact O-N 3.12Å
193L97.6Very high97.4Very high4 Ų450.2 Ų50.22%0.02128%0.276CS..Hα-helixtrans-67.9-27-176.9-62.2178.5000112.9M109 L112 L132 R136 M139 V189 K195 V196M109-L193 HydrophobicContact CE-CD2 3.29Å; L112-L193 HydrophobicContact CD2-CD2 4.48Å; L132-L193 HydrophobicContact CD1-CB 4.29Å; L132-L193 HydrophobicContact CD1-CD2 3.68Å; L132-L193 HydrophobicContact CD1-CG 4.44Å; R136-L193 HydrophobicContact CB-CD1 3.7Å; R136-L193 HydrophobicContact CG-CD1 3.79Å; M139-L193 HydrophobicContact CE-CD2 3.96Å; M139-L193 HydrophobicContact SD-CD2 4.34Å; V189-L193 HydrophobicContact CG1-CD1 3.64Å; V189-L193 HydrophobicContact CG1-CG 4.25Å; V189-L193 WeakPolarHBondContact O-CB 3.25Å; V189-L193 VanDerWaalsContact O-CG 3.22Å; V189-L193 WeakPolarHBondContact O-CG 3.35Å; V189-L193 PolarHBondContact O-N 3.05Å; L193-K195 PolarHBondContact O-N 3.28Å; L193-V196 WeakPolarHBondContact O-CB 3.27Å; L193-V196 PolarHBondContact O-N 3.49Å; L193-V196 VanDerWaalsContact O-N 3.15Å
194S96.4Very high97.4Very high95 Ų9555.7 Ų55.766%0.66430%0.297SS*.THydrogen-bonded Turntrans-66.8-14.8174.467.90000113.8N190 S191 A192 V196N190-S194 PolarHBondContact O-N 3.32Å; N190-S194 VanDerWaalsContact O-N 3.09Å; S191-S194 PolarHBondContact O-OG 2.89Å; A192-S194 VanDerWaalsContact C-N 3.29Å; A192-S194 PolarHBondContact O-N 3.04Å; S194-V196 VanDerWaalsContact C-N 3.34Å
195K95.6Very high97.4Very high65 Ų6556.2 Ų56.228%0.28330%0.301SS..THydrogen-bonded Turntrans-87.3-4.8176.5-57.7178.2179.879.60112.7T116 E117 V125 S191 A192 L193T116-K195 HydrophobicContact CG2-CD 4.23Å; E117-K195 VanDerWaalsContact CD-NZ 3.33Å; E117-K195 IonicContact OE1-NZ 2.82Å; E117-K195 PolarHBondContact OE1-NZ 3.29Å; E117-K195 IonicContact OE2-NZ 3.19Å; E117-K195 PolarHBondContact OE2-NZ 3.49Å; V125-K195 PolarHBondContact N-O 3.09Å; S191-K195 PolarHBondContact O-NZ 2.83Å; A192-K195 WeakPolarHBondContact O-CB 3.12Å; A192-K195 PolarHBondContact O-N 3.4Å; A192-K195 VanDerWaalsContact O-N 3.12Å; L193-K195 PolarHBondContact O-N 3.28Å
196V98.2Very high97.3Very high19 Ų1958.5 Ų58.512%0.11531%0.307CS..EExtended strand (participates in β ladder)trans-83.2125.9-177.2-174.80000110.6L112 V125 A127 L132 L193 S194L112-V196 HydrophobicContact CD2-CG2 4.08Å; V125-V196 HydrophobicContact CB-CG2 4.04Å; V125-V196 HydrophobicContact CG1-CG1 4.46Å; V125-V196 HydrophobicContact CG1-CG2 3.92Å; V125-V196 CarbonylContact O-C 3.58Å; V125-V196 WeakPolarHBondContact O-CA 3.4Å; A127-V196 HydrophobicContact CB-CG1 3.8Å; L132-V196 HydrophobicContact CD1-CB 4Å; L132-V196 HydrophobicContact CD1-CG1 4.07Å; L132-V196 HydrophobicContact CD1-CG2 3.97Å; L132-V196 HydrophobicContact CD2-CB 4.42Å; L132-V196 HydrophobicContact CD2-CG1 4.33Å; L193-V196 WeakPolarHBondContact O-CB 3.27Å; L193-V196 PolarHBondContact O-N 3.49Å; L193-V196 VanDerWaalsContact O-N 3.15Å; S194-V196 VanDerWaalsContact C-N 3.34Å
197Q98.1Very high97Very high100 Ų10055.8 Ų55.847%0.46729%0.294SS..EExtended strand (participates in β ladder)trans-98.1131.5169.4-68.4-170-11.700109.9T124 V125 Y126 A127T124-Q197 HydrophobicContact CG2-CB 4.17Å; T124-Q197 VanDerWaalsContact CG2-CD 3.4Å; T124-Q197 HydrophobicContact CG2-CG 3.68Å; V125-Q197 PolarHBondContact O-N 3.36Å; Y126-Q197 WeakPolarHBondContact CA-O 3.39Å; Y126-Q197 HydrophobicContact CD1-CB 3.7Å; Y126-Q197 HydrophobicContact CE1-CB 3.65Å; Y126-Q197 HydrophobicContact CE1-CG 4.39Å; Y126-Q197 PolarHBondContact OH-OE1 3.4Å; Y126-Q197 VanDerWaalsContact OH-OE1 3.13Å; A127-Q197 PolarHBondContact N-O 2.77Å
198L98.3Very high96.4Very high87 Ų8753.9 Ų53.946%0.45528%0.284SS..EExtended strand (participates in β ladder)trans-82135.3-176.5-62170.2000111.2A127 E129 L132A127-L198 WeakPolarHBondContact O-CA 3.49Å; E129-L198 HydrophobicContact CB-CD2 4.29Å; E129-L198 WeakPolarHBondContact OE2-CD1 3.2Å; E129-L198 WeakPolarHBondContact OE2-CD2 3.41Å; E129-L198 WeakPolarHBondContact OE2-CG 3.39Å; L132-L198 HydrophobicContact CB-CD2 4.19Å; L132-L198 HydrophobicContact CD2-CD2 3.59Å; L132-L198 HydrophobicContact CD2-CG 4.47Å
199V98.1Very high95.6Very high5 Ų552 Ų523%0.0328%0.277CS..  trans-132.8127.9179.5-169.10000109.7Y126 A127 T128 Q203 V205 P215Y126-V199 HydrophobicContact CD1-CG2 3.41Å; Y126-V199 VanDerWaalsContact CD1-CG2 3.41Å; Y126-V199 HydrophobicContact CE1-CG2 4.29Å; Y126-V199 HydrophobicContact CG-CG2 4.07Å; A127-V199 PolarHBondContact O-N 2.79Å; T128-V199 WeakPolarHBondContact CA-O 3.38Å; V199-Q203 HydrophobicContact CG1-CB 3.78Å; V199-Q203 HydrophobicContact CG1-CG 4.08Å; V199-V205 HydrophobicContact CG1-CG2 3.82Å; V199-V205 HydrophobicContact CG2-CG2 4.06Å; V199-P215 HydrophobicContact CB-CG 4.16Å; V199-P215 HydrophobicContact CG1-CG 3.64Å
200G97.8Very high94.9Very high26 Ų2652 Ų5227%0.26828%0.278SS..  trans-77.9159.3173.200000112.4S202 Q203 P215G200-S202 PolarHBondContact O-N 3.28Å; G200-Q203 WeakPolarHBondContact O-CB 3.47Å; G200-Q203 PolarHBondContact O-N 3.28Å; G200-Q203 VanDerWaalsContact O-N 3.14Å; G200-P215 WeakPolarHBondContact O-CG 3.5Å
201Y97.6Very high94.6Very high42 Ų4248.6 Ų48.617%0.16526%0.259CS..THydrogen-bonded Turntrans-56.2139.6172.6-68.4-39.5000111.9T128 Q203 P215 G223 S224 W348T128-Y201 HydrophobicContact CG2-CD1 4.37Å; T128-Y201 HydrophobicContact CG2-CE1 4.06Å; Y201-Q203 PolarHBondContact O-N 3.09Å; Y201-P215 CarbonylContact C-O 3.53Å; Y201-P215 WeakPolarHBondContact CA-O 3.43Å; Y201-G223 VanDerWaalsContact OH-C 3.29Å; Y201-G223 WeakPolarHBondContact OH-CA 3.26Å; Y201-S224 PolarHBondContact OH-O 2.95Å; Y201-S224 VanDerWaalsContact OH-O 3.05Å; Y201-W348 AromaticContact CD1-CZ3 3.81Å; Y201-W348 HydrophobicContact CD1-CZ3 3.81Å; Y201-W348 AromaticContact CD2-CE3 3.73Å; Y201-W348 HydrophobicContact CD2-CE3 3.73Å; Y201-W348 AromaticContact CD2-CZ3 3.63Å; Y201-W348 HydrophobicContact CD2-CZ3 3.63Å; Y201-W348 HydrophobicContact CE1-CE3 4.07Å; Y201-W348 AromaticContact CE1-CZ3 3.61Å; Y201-W348 HydrophobicContact CE1-CZ3 3.61Å; Y201-W348 HydrophobicContact CE2-CD2 4.32Å; Y201-W348 AromaticContact CE2-CE3 3.2Å; Y201-W348 HydrophobicContact CE2-CE3 3.2Å; Y201-W348 AromaticContact CE2-CZ3 3.47Å; Y201-W348 HydrophobicContact CE2-CZ3 3.47Å; Y201-W348 VanDerWaalsContact CE2-CZ3 3.47Å; Y201-W348 HydrophobicContact CG-CE3 4.37Å; Y201-W348 AromaticContact CG-CZ3 3.8Å; Y201-W348 HydrophobicContact CG-CZ3 3.8Å; Y201-W348 AromaticContact CZ-CE3 3.38Å; Y201-W348 AromaticContact CZ-CZ3 3.43Å; Y201-W348 VanDerWaalsContact CZ-CZ3 3.43Å
202S96.4Very high94.5Very high72 Ų7248.4 Ų48.450%0.50325%0.254SS..THydrogen-bonded Turntrans60.55.2-177.7-56.70000115.2G200 K204 P215G200-S202 PolarHBondContact O-N 3.28Å; S202-K204 PolarHBondContact O-N 2.72Å; S202-P215 PolarHBondContact N-O 2.83Å
203Q97.3Very high94.5Very high94 Ų9448.4 Ų48.444%0.43925%0.254SS..  trans-67.9127.4171.5-177.9-178-7.800109.2V199 G200 Y201 V205 S214V199-Q203 HydrophobicContact CG1-CB 3.78Å; V199-Q203 HydrophobicContact CG1-CG 4.08Å; G200-Q203 WeakPolarHBondContact O-CB 3.47Å; G200-Q203 PolarHBondContact O-N 3.28Å; G200-Q203 VanDerWaalsContact O-N 3.14Å; Y201-Q203 PolarHBondContact O-N 3.09Å; Q203-V205 HydrophobicContact CG-CG2 4.47Å; Q203-S214 WeakPolarHBondContact O-CA 3.38Å; Q203-S214 WeakPolarHBondContact O-CB 3.32Å
204K96.6Very high94.5Very high137 Ų13748.8 Ų48.860%0.59626%0.256SS*.  trans-91.5116.2179.7-69.3174.3174.9-172.70109.6S202 Q212S202-K204 PolarHBondContact O-N 2.72Å; K204-Q212 HydrophobicContact CB-CG 4.02Å; K204-Q212 VanDerWaalsContact CD-OE1 3.29Å; K204-Q212 HydrophobicContact CG-CG 4.36Å
205V96.6Very high94.6Very high19 Ų1944.2 Ų44.212%0.11523%0.225CC..EExtended strand (participates in β ladder)trans-108.7122.6176.3-176.90000108.7Y126 V199 Q203 L207 Q212 V213Y126-V205 HydrophobicContact CE1-CG1 3.92Å; Y126-V205 HydrophobicContact CE2-CG1 4.42Å; V199-V205 HydrophobicContact CG1-CG2 3.82Å; V199-V205 HydrophobicContact CG2-CG2 4.06Å; Q203-V205 HydrophobicContact CG-CG2 4.47Å; V205-L207 HydrophobicContact CG1-CD2 4Å; V205-Q212 CarbonylContact O-C 3.58Å; V205-Q212 WeakPolarHBondContact O-CA 3.44Å; V205-V213 HydrophobicContact CB-CG2 3.86Å; V205-V213 HydrophobicContact CG1-CG2 4.45Å; V205-V213 PolarHBondContact N-O 2.82Å; V205-V213 PolarHBondContact O-N 3.39Å
206E93.1Very high94.7Very high89 Ų8941.3 Ų41.342%0.41621%0.212SC..EExtended strand (participates in β ladder)trans-88.5116179-166.176.7-167.100109.8Q212E206-Q212 PolarHBondContact OE2-NE2 2.74Å
207L91.4Very high94.7Very high3 Ų340.5 Ų40.52%0.01621%0.207CC..EExtended strand (participates in β ladder)trans-94.3106.2177.9-52.8-176.4000109.6I24 V100 Y126 V205 G209 A210 V211 V213I24-L207 HydrophobicContact CD1-CD1 4.11Å; I24-L207 HydrophobicContact CG1-CD1 4.46Å; V100-L207 HydrophobicContact CB-CD1 4.3Å; V100-L207 HydrophobicContact CG1-CD1 4.13Å; V100-L207 HydrophobicContact CG2-CD1 4.05Å; V100-L207 HydrophobicContact CG2-CD2 4.09Å; Y126-L207 HydrophobicContact CD2-CD2 4.46Å; Y126-L207 HydrophobicContact CE2-CD2 3.61Å; V205-L207 HydrophobicContact CG1-CD2 4Å; L207-G209 PolarHBondContact O-N 3.34Å; L207-A210 PolarHBondContact O-N 2.85Å; L207-V211 HydrophobicContact CB-CG2 3.79Å; L207-V211 HydrophobicContact CD1-CG2 4.05Å; L207-V211 HydrophobicContact CG-CG2 4.29Å; L207-V211 PolarHBondContact N-O 3.14Å; L207-V211 PolarHBondContact O-N 3.1Å; L207-V213 HydrophobicContact CD1-CB 4.45Å; L207-V213 HydrophobicContact CD1-CG1 3.52Å; L207-V213 HydrophobicContact CD1-CG2 4.04Å; L207-V213 HydrophobicContact CD2-CG2 4.2Å; L207-V213 HydrophobicContact CG-CG1 4.13Å; L207-V213 HydrophobicContact CG-CG2 4.07Å
208F86.8Confident94.6Very high109 Ų10935.8 Ų35.848%0.47819%0.186SC..THydrogen-bonded Turntrans51.828.1173.8-43-74.4000114.7T22 D99 V100 A210 D550 N551T22-F208 HydrophobicContact CG2-CD2 3.81Å; D99-F208 HydrophobicContact CB-CE2 3.63Å; D99-F208 HydrophobicContact CB-CZ 4Å; V100-F208 HydrophobicContact CG2-CE2 3.96Å; V100-F208 HydrophobicContact CG2-CZ 4.38Å; F208-A210 PolarHBondContact O-N 3.27Å; F208-D550 CarbonylContact O-C 3.53Å; F208-N551 PolarHBondContact O-ND2 3.39Å
209G81.1Confident94.5Very high9 Ų931.8 Ų31.89%0.09317%0.165CC..THydrogen-bonded Turntrans64.55.3-176.500000115.6L207 D550L207-G209 PolarHBondContact O-N 3.34Å; G209-D550 CarbonylContact C-O 3.58Å; G209-D550 WeakPolarHBondContact CA-O 3.38Å
210A83.3Confident94.3Very high1 Ų132.5 Ų32.51%0.00817%0.167CC..THydrogen-bonded Turntrans-92.1-45.8-176.100000112.1T22 L207 F208 S231 N551T22-A210 HydrophobicContact CG2-CB 3.76Å; L207-A210 PolarHBondContact O-N 2.85Å; F208-A210 PolarHBondContact O-N 3.27Å; A210-S231 PolarHBondContact O-OG 3.01Å; A210-N551 HydrophobicContact CB-CB 4.1Å; A210-N551 WeakPolarHBondContact CB-ND2 3.42Å
211V91.3Very high94.2Very high1 Ų131.3 Ų31.31%0.00616%0.155CC..EExtended strand (participates in β ladder)trans-144.7146.2-170.6-59.90000109.2F19 T22 I24 L207 Q230F19-V211 HydrophobicContact CD1-CB 4.43Å; F19-V211 HydrophobicContact CD1-CG1 3.52Å; F19-V211 HydrophobicContact CE1-CB 4.39Å; F19-V211 HydrophobicContact CE1-CG1 3.55Å; F19-V211 HydrophobicContact CG-CG1 4.08Å; F19-V211 HydrophobicContact CZ-CG1 4.13Å; T22-V211 HydrophobicContact CG2-CG2 4.33Å; I24-V211 HydrophobicContact CD1-CG2 4.05Å; L207-V211 HydrophobicContact CB-CG2 3.79Å; L207-V211 HydrophobicContact CD1-CG2 4.05Å; L207-V211 HydrophobicContact CG-CG2 4.29Å; L207-V211 PolarHBondContact N-O 3.14Å; L207-V211 PolarHBondContact O-N 3.1Å; V211-Q230 CarbonylContact C-O 3.46Å; V211-Q230 WeakPolarHBondContact CA-O 3.15Å
212Q95.2Very high94Very high40 Ų4029.4 Ų29.419%0.18715%0.147CC..EExtended strand (participates in β ladder)trans-108.4135.4174.2179.2173.897.100108.9K204 V205 E206 I229 Q230K204-Q212 HydrophobicContact CB-CG 4.02Å; K204-Q212 VanDerWaalsContact CD-OE1 3.29Å; K204-Q212 HydrophobicContact CG-CG 4.36Å; V205-Q212 CarbonylContact O-C 3.58Å; V205-Q212 WeakPolarHBondContact O-CA 3.44Å; E206-Q212 PolarHBondContact OE2-NE2 2.74Å; Q212-I229 WeakPolarHBondContact O-CA 3.28Å; Q212-Q230 HydrophobicContact CB-CG 4.05Å; Q212-Q230 PolarHBondContact N-O 2.95Å; Q212-Q230 PolarHBondContact O-N 3.27Å
213V97.5Very high94Very high0 Ų026 Ų260%012%0.123CC..EExtended strand (participates in β ladder)trans-117.4143.3175.9-57.90000110.6L102 V205 L207 W227 V228 I229L102-V213 HydrophobicContact CD1-CB 4.41Å; L102-V213 HydrophobicContact CD1-CG1 4.12Å; L102-V213 HydrophobicContact CD2-CG2 4.26Å; V205-V213 HydrophobicContact CB-CG2 3.86Å; V205-V213 HydrophobicContact CG1-CG2 4.45Å; V205-V213 PolarHBondContact N-O 2.82Å; V205-V213 PolarHBondContact O-N 3.39Å; L207-V213 HydrophobicContact CD1-CB 4.45Å; L207-V213 HydrophobicContact CD1-CG1 3.52Å; L207-V213 HydrophobicContact CD1-CG2 4.04Å; L207-V213 HydrophobicContact CD2-CG2 4.2Å; L207-V213 HydrophobicContact CG-CG1 4.13Å; L207-V213 HydrophobicContact CG-CG2 4.07Å; V213-W227 HydrophobicContact CB-CE3 4.34Å; V213-W227 HydrophobicContact CG2-CZ3 4.33Å; V213-V228 CarbonylContact C-O 3.58Å; V213-V228 VanDerWaalsContact CA-O 3.29Å; V213-V228 WeakPolarHBondContact CA-O 3.38Å; V213-I229 HydrophobicContact CG1-CB 4.36Å; V213-I229 HydrophobicContact CG1-CG1 4.04Å; V213-I229 HydrophobicContact CG1-CG2 4.08Å
214S97.9Very high93.9Very high11 Ų1121.5 Ų21.58%0.07710%0.103CC..EExtended strand (participates in β ladder)trans-145.9126.7174.657.50000111Q203 V228Q203-S214 WeakPolarHBondContact O-CA 3.38Å; Q203-S214 WeakPolarHBondContact O-CB 3.32Å; S214-V228 PolarHBondContact N-O 3.08Å; S214-V228 PolarHBondContact O-N 3.42Å
215P98.3Very high94Very high0 Ų015 Ų150%08%0.075CC..EExtended strand (participates in β ladder)trans-80.3141.1174.132-31000110.4T128 V199 G200 Y201 S202 N226 W227T128-P215 HydrophobicContact CG2-CB 4.5Å; V199-P215 HydrophobicContact CB-CG 4.16Å; V199-P215 HydrophobicContact CG1-CG 3.64Å; G200-P215 WeakPolarHBondContact O-CG 3.5Å; Y201-P215 CarbonylContact C-O 3.53Å; Y201-P215 WeakPolarHBondContact CA-O 3.43Å; S202-P215 PolarHBondContact N-O 2.83Å; P215-N226 CarbonylContact C-O 3.52Å; P215-W227 HydrophobicContact CB-CD2 4.13Å; P215-W227 HydrophobicContact CB-CE3 3.95Å; P215-W227 HydrophobicContact CB-CH2 3.84Å; P215-W227 HydrophobicContact CB-CZ2 4.01Å; P215-W227 HydrophobicContact CB-CZ3 3.81Å; P215-W227 HydrophobicContact CG-CE3 4.46Å; P215-W227 HydrophobicContact CG-CH2 3.97Å; P215-W227 HydrophobicContact CG-CZ3 3.91Å
216L97.9Very high94.1Very high3 Ų314.1 Ų14.12%0.0167%0.069CC..EExtended strand (participates in β ladder)trans-121.8149.5176.6-58.9173.7000108.8S218 S225 N226 V228 D253 L257L216-S218 PolarHBondContact O-N 2.8Å; L216-S225 CarbonylContact O-C 3.58Å; L216-S225 WeakPolarHBondContact O-CA 3.27Å; L216-S225 WeakPolarHBondContact O-CB 3.08Å; L216-N226 PolarHBondContact N-O 3.25Å; L216-N226 PolarHBondContact O-N 3.13Å; L216-V228 HydrophobicContact CD1-CG2 3.5Å; L216-V228 HydrophobicContact CG-CG2 4.27Å; L216-D253 HydrophobicContact CB-CB 4.41Å; L216-L257 HydrophobicContact CD1-CD2 3.83Å; L216-L257 HydrophobicContact CD1-CG 4.39Å
217S97.6Very high94.3Very high3 Ų39.9 Ų9.92%0.0215%0.05CC..EExtended strand (participates in β ladder)trans-59.4132.8175.7-171.10000111.4G219 Q250 P251 M252 D253S217-G219 PolarHBondContact OG-N 2.85Å; S217-Q250 PolarHBondContact OG-O 3.27Å; S217-P251 WeakPolarHBondContact CB-O 3.45Å; S217-P251 PolarHBondContact OG-O 3.18Å; S217-M252 WeakPolarHBondContact O-CA 3.46Å; S217-D253 PolarHBondContact O-N 3.43Å; S217-D253 VanDerWaalsContact O-N 3.09Å
218S97Very high94.6Very high1 Ų110 Ų101%0.0075%0.05CC..  trans-92-15.5175.889.70000113.5L216 Y220 S224 G241 S242 S243 M252L216-S218 PolarHBondContact O-N 2.8Å; S218-Y220 PolarHBondContact O-N 3.06Å; S218-Y220 PolarHBondContact OG-N 3.46Å; S218-S224 PolarHBondContact N-O 3.35Å; S218-S224 WeakPolarHBondContact OG-CB 3.43Å; S218-S224 PolarHBondContact OG-OG 2.81Å; S218-G241 PolarHBondContact OG-O 3.05Å; S218-S242 WeakPolarHBondContact O-CA 3.41Å; S218-S242 WeakPolarHBondContact O-CB 3.46Å; S218-S243 PolarHBondContact O-N 2.88Å; S218-M252 WeakPolarHBondContact O-CB 3.08Å
219G95.6Very high95.1Very high2 Ų24.8 Ų4.82%0.0213%0.027CC..SBendtrans74.5-3.3-176.600000116.1S217 S243 Q250S217-G219 PolarHBondContact OG-N 2.85Å; G219-S243 WeakPolarHBondContact O-CB 3.32Å; G219-Q250 VanDerWaalsContact CA-O 3.31Å; G219-Q250 WeakPolarHBondContact CA-O 3.43Å
220Y94.8Very high95.7Very high20 Ų206.8 Ų6.88%0.0783%0.034CC..SBendtrans-85.2-57.3-172.7170.6-123.1000114.2S218 G241 T452 R453S218-Y220 PolarHBondContact O-N 3.06Å; S218-Y220 PolarHBondContact OG-N 3.46Å; Y220-G241 WeakPolarHBondContact CB-O 3.36Å; Y220-G241 WeakPolarHBondContact CD1-O 3.21Å; Y220-T452 WeakPolarHBondContact CD2-OG1 3.43Å; Y220-R453 HydrophobicContact CD2-CG 3.76Å; Y220-R453 HydrophobicContact CE1-CG 4.45Å; Y220-R453 HydrophobicContact CE2-CG 3.48Å; Y220-R453 VanDerWaalsContact CE2-CG 3.48Å; Y220-R453 HydrophobicContact CG-CG 4.38Å; Y220-R453 VanDerWaalsContact CZ-NE 3.33Å; Y220-R453 PolarHBondContact OH-NE 3.09Å; Y220-R453 VanDerWaalsContact OH-NE 3.14Å; Y220-R453 PolarHBondContact OH-NH2 3.42Å
221S94.1Very high95.9Very high2 Ų27.6 Ų7.61%0.0144%0.04CC..SBendtrans-135.4164.3-178.9730000111.9Y106 G223 S224Y106-S221 VanDerWaalsContact CE1-OG 3.26Å; Y106-S221 WeakPolarHBondContact CE1-OG 3.31Å; S221-G223 PolarHBondContact O-N 2.75Å; S221-G223 VanDerWaalsContact O-N 3.13Å; S221-S224 PolarHBondContact N-OG 3.15Å; S221-S224 VanDerWaalsContact O-CB 3.28Å; S221-S224 WeakPolarHBondContact O-CB 3.05Å; S221-S224 PolarHBondContact O-N 3.09Å; S221-S224 PolarHBondContact O-OG 2.74Å; S221-S224 WeakPolarHBondContact OG-CB 3.34Å
222L94.9Very high95.4Very high1 Ų112 Ų121%0.0056%0.06CC..THydrogen-bonded Turntrans-58.4118.2-177.3-169.458.9000111.4P130 I134 S224 F345 W348 L349P130-L222 HydrophobicContact CB-CG 3.95Å; I134-L222 HydrophobicContact CD1-CB 3.96Å; I134-L222 HydrophobicContact CD1-CD2 4.13Å; I134-L222 HydrophobicContact CD1-CG 4.33Å; L222-S224 VanDerWaalsContact C-N 3.29Å; L222-S224 PolarHBondContact O-N 2.96Å; L222-F345 HydrophobicContact CD2-CB 4.11Å; L222-F345 HydrophobicContact CD2-CD2 4.38Å; L222-F345 HydrophobicContact CG-CB 4.48Å; L222-W348 HydrophobicContact CD1-CB 3.73Å; L222-L349 HydrophobicContact CD1-CD2 3.55Å; L222-L349 HydrophobicContact CD1-CG 4.32Å
223G94.9Very high94.7Very high0 Ų015.4 Ų15.40%08%0.076CC..THydrogen-bonded Turntrans79.6-2.1-175.900000115.8T128 T131 Y201 S221T128-G223 WeakPolarHBondContact CG2-O 3.42Å; T128-G223 PolarHBondContact OG1-O 3.06Å; T131-G223 PolarHBondContact OG1-O 3.05Å; T131-G223 VanDerWaalsContact OG1-O 3.05Å; Y201-G223 VanDerWaalsContact OH-C 3.29Å; Y201-G223 WeakPolarHBondContact OH-CA 3.26Å; S221-G223 PolarHBondContact O-N 2.75Å; S221-G223 VanDerWaalsContact O-N 3.13Å
224S96.9Very high94.3Very high1 Ų117 Ų171%0.0078%0.083CC..  trans-64.2139.1-178.759.60000113.3S104 Y201 S218 S221 L222S104-S224 CarbonylContact O-C 3.56Å; S104-S224 VanDerWaalsContact O-CA 3.26Å; S104-S224 WeakPolarHBondContact O-CA 3.42Å; Y201-S224 PolarHBondContact OH-O 2.95Å; Y201-S224 VanDerWaalsContact OH-O 3.05Å; S218-S224 PolarHBondContact N-O 3.35Å; S218-S224 WeakPolarHBondContact OG-CB 3.43Å; S218-S224 PolarHBondContact OG-OG 2.81Å; S221-S224 PolarHBondContact N-OG 3.15Å; S221-S224 VanDerWaalsContact O-CB 3.28Å; S221-S224 WeakPolarHBondContact O-CB 3.05Å; S221-S224 PolarHBondContact O-N 3.09Å; S221-S224 PolarHBondContact O-OG 2.74Å; S221-S224 WeakPolarHBondContact OG-CB 3.34Å; L222-S224 VanDerWaalsContact C-N 3.29Å; L222-S224 PolarHBondContact O-N 2.96Å
225S97.7Very high94Very high1 Ų118.3 Ų18.31%0.0079%0.087CC..EExtended strand (participates in β ladder)trans-134.1144.7-171.464.20000115.6S104 L216 W227S104-S225 WeakPolarHBondContact CA-O 3.36Å; S104-S225 WeakPolarHBondContact CB-O 3.49Å; S104-S225 PolarHBondContact O-N 3.21Å; S104-S225 PolarHBondContact O-OG 2.55Å; S104-S225 PolarHBondContact OG-O 3.19Å; L216-S225 CarbonylContact O-C 3.58Å; L216-S225 WeakPolarHBondContact O-CA 3.27Å; L216-S225 WeakPolarHBondContact O-CB 3.08Å; S225-W227 PolarHBondContact OG-NE1 3.01Å
226N98.2Very high93.9Very high0 Ų018.3 Ų18.30%09%0.087CC..EExtended strand (participates in β ladder)trans-97.1134.8162.4-67.6-35.5000108.7P215 L216 Y238 V239 S240 S242P215-N226 CarbonylContact C-O 3.52Å; L216-N226 PolarHBondContact N-O 3.25Å; L216-N226 PolarHBondContact O-N 3.13Å; N226-Y238 CarbonylContact C-O 3.55Å; N226-Y238 WeakPolarHBondContact CA-O 3.48Å; N226-Y238 WeakPolarHBondContact CB-O 3.3Å; N226-V239 WeakPolarHBondContact OD1-CA 3.39Å; N226-S240 PolarHBondContact OD1-N 2.6Å; N226-S240 PolarHBondContact OD1-O 2.81Å; N226-S240 VanDerWaalsContact OD1-O 3.09Å; N226-S242 PolarHBondContact ND2-OG 2.93Å; N226-S242 PolarHBondContact OD1-OG 3.26Å; N226-S242 VanDerWaalsContact OD1-OG 3.05Å
227W98.4Very high93.9Very high0 Ų018.1 Ų18.10%09%0.087CC..EExtended strand (participates in β ladder)trans-100.8126.8-175.5-69.390.5000111L102 I103 S104 V213 P215 S225 Y238L102-W227 HydrophobicContact CB-CD2 3.95Å; L102-W227 HydrophobicContact CB-CE3 4.46Å; L102-W227 HydrophobicContact CB-CG 4.17Å; L102-W227 HydrophobicContact CB-CZ2 4.3Å; L102-W227 HydrophobicContact CD1-CB 4.19Å; L102-W227 HydrophobicContact CD1-CD2 3.98Å; L102-W227 HydrophobicContact CD1-CE3 3.97Å; L102-W227 HydrophobicContact CD1-CG 4.08Å; L102-W227 HydrophobicContact CD2-CD2 4.41Å; L102-W227 HydrophobicContact CD2-CE3 4.07Å; L102-W227 HydrophobicContact CD2-CH2 4.21Å; L102-W227 HydrophobicContact CD2-CZ3 3.96Å; L102-W227 HydrophobicContact CG-CD2 4.33Å; L102-W227 HydrophobicContact CG-CE3 4.4Å; I103-W227 WeakPolarHBondContact O-CZ2 3.27Å; I103-W227 PolarHBondContact O-NE1 2.64Å; I103-W227 VanDerWaalsContact O-NE1 3.1Å; S104-W227 VanDerWaalsContact OG-CD1 3.3Å; V213-W227 HydrophobicContact CB-CE3 4.34Å; V213-W227 HydrophobicContact CG2-CZ3 4.33Å; P215-W227 HydrophobicContact CB-CD2 4.13Å; P215-W227 HydrophobicContact CB-CE3 3.95Å; P215-W227 HydrophobicContact CB-CH2 3.84Å; P215-W227 HydrophobicContact CB-CZ2 4.01Å; P215-W227 HydrophobicContact CB-CZ3 3.81Å; P215-W227 HydrophobicContact CG-CE3 4.46Å; P215-W227 HydrophobicContact CG-CH2 3.97Å; P215-W227 HydrophobicContact CG-CZ3 3.91Å; S225-W227 PolarHBondContact OG-NE1 3.01Å; W227-Y238 HydrophobicContact CB-CD1 4.47Å; W227-Y238 PolarHBondContact N-O 3.46Å; W227-Y238 PolarHBondContact O-N 3.15Å
228V98.1Very high93.9Very high4 Ų418 Ų182%0.0249%0.086CC..EExtended strand (participates in β ladder)trans-96.9123.3165.9175.30000108.2V213 S214 L216 Q230 K235 L257V213-V228 CarbonylContact C-O 3.58Å; V213-V228 VanDerWaalsContact CA-O 3.29Å; V213-V228 WeakPolarHBondContact CA-O 3.38Å; S214-V228 PolarHBondContact N-O 3.08Å; S214-V228 PolarHBondContact O-N 3.42Å; L216-V228 HydrophobicContact CD1-CG2 3.5Å; L216-V228 HydrophobicContact CG-CG2 4.27Å; V228-Q230 HydrophobicContact CG1-CB 4.44Å; V228-K235 HydrophobicContact CG1-CG 4.16Å; V228-L257 HydrophobicContact CG2-CD2 4.09Å
229I96.8Very high94Very high0 Ų018 Ų180%09%0.086CC..EExtended strand (participates in β ladder)trans-118.1105.2-179-53.7163.6000106.5L17 F19 I24 L26 L102 Q212 V213 V236L17-I229 HydrophobicContact CD2-CD1 4.09Å; F19-I229 HydrophobicContact CD1-CG2 3.83Å; F19-I229 HydrophobicContact CE1-CG2 4.09Å; I24-I229 HydrophobicContact CD1-CG2 3.88Å; L26-I229 HydrophobicContact CD2-CD1 3.58Å; L102-I229 HydrophobicContact CD1-CD1 3.98Å; L102-I229 HydrophobicContact CD1-CG1 4.05Å; Q212-I229 WeakPolarHBondContact O-CA 3.28Å; V213-I229 HydrophobicContact CG1-CB 4.36Å; V213-I229 HydrophobicContact CG1-CG1 4.04Å; V213-I229 HydrophobicContact CG1-CG2 4.08Å; I229-V236 HydrophobicContact CB-CB 4.32Å; I229-V236 PolarHBondContact N-O 3.5Å; I229-V236 PolarHBondContact O-N 3.28Å
230Q92.5Very high93.8Very high52 Ų5218 Ų1824%0.2439%0.085CC..EExtended strand (participates in β ladder)trans-125.2136.5-171.864-171-6.600111.6V211 Q212 V228 E234 K235V211-Q230 CarbonylContact C-O 3.46Å; V211-Q230 WeakPolarHBondContact CA-O 3.15Å; Q212-Q230 HydrophobicContact CB-CG 4.05Å; Q212-Q230 PolarHBondContact N-O 2.95Å; Q212-Q230 PolarHBondContact O-N 3.27Å; V228-Q230 HydrophobicContact CG1-CB 4.44Å; Q230-E234 CarbonylContact C-O 3.54Å; Q230-E234 VanDerWaalsContact CA-O 3.31Å; Q230-E234 WeakPolarHBondContact CA-O 3.47Å; Q230-K235 HydrophobicContact CB-CG 4.49Å
231S87.9Confident93.6Very high18 Ų1817.1 Ų17.113%0.1268%0.083CC..  trans-99.3-163.7158.6-160.60000108.9K20 A210 H233 E234K20-S231 WeakPolarHBondContact CE-OG 3.43Å; K20-S231 PolarHBondContact NZ-OG 2.9Å; A210-S231 PolarHBondContact O-OG 3.01Å; S231-H233 VanDerWaalsContact C-N 3.3Å; S231-H233 PolarHBondContact O-N 2.82Å; S231-E234 WeakPolarHBondContact CB-OE2 3.42Å; S231-E234 PolarHBondContact N-O 2.96Å
232H80.6Confident93.7Very high93 Ų9317.1 Ų17.143%0.4318%0.083SC..SBendtrans-68.5-29-177.7-6782000113.5
233H81.8Confident93.7Very high111 Ų11117.1 Ų17.151%0.5148%0.083SC..SBendtrans-127.6-10.4-174.5-65.9-69.2000113.7S231S231-H233 VanDerWaalsContact C-N 3.3Å; S231-H233 PolarHBondContact O-N 2.82Å
234E87.8Confident93.6Very high33 Ų3319.9 Ų19.915%0.15410%0.097CC..  trans-126.7140.2-175.6-51.195.3154.900110.7F19 Q230 S231 D261 F511F19-E234 HydrophobicContact CE2-CB 4.2Å; F19-E234 HydrophobicContact CZ-CB 3.85Å; Q230-E234 CarbonylContact C-O 3.54Å; Q230-E234 VanDerWaalsContact CA-O 3.31Å; Q230-E234 WeakPolarHBondContact CA-O 3.47Å; S231-E234 WeakPolarHBondContact CB-OE2 3.42Å; S231-E234 PolarHBondContact N-O 2.96Å; E234-D261 VanDerWaalsContact CA-OD2 3.27Å; E234-D261 WeakPolarHBondContact CA-OD2 3.4Å; E234-F511 HydrophobicContact CB-CE1 4.23Å; E234-F511 HydrophobicContact CG-CD1 4.29Å; E234-F511 HydrophobicContact CG-CE1 4.29Å
235K92.9Very high93.3Very high39 Ų3922.9 Ų22.917%0.1711%0.113CC..EExtended strand (participates in β ladder)trans-132118.7-179.3-178.2-179.9177.1-178.90110.4V228 Q230 S256 K258 D261 V262V228-K235 HydrophobicContact CG1-CG 4.16Å; Q230-K235 HydrophobicContact CB-CG 4.49Å; K235-S256 VanDerWaalsContact CE-O 3.28Å; K235-S256 WeakPolarHBondContact CE-O 3.27Å; K235-S256 PolarHBondContact NZ-O 2.87Å; K235-K258 PolarHBondContact NZ-O 2.86Å; K235-D261 PolarHBondContact N-OD2 3.28Å; K235-D261 PolarHBondContact O-N 3.22Å; K235-V262 PolarHBondContact O-N 2.57Å
236V96.1Very high92.5Very high0 Ų028.9 Ų28.90%015%0.149CC..EExtended strand (participates in β ladder)trans-107.3125.4171.3-1770000108.3M1 L17 I229 V262 I264 F511M1-V236 HydrophobicContact CE-CG2 3.69Å; M1-V236 HydrophobicContact SD-CG2 3.74Å; L17-V236 HydrophobicContact CD2-CG1 4.16Å; L17-V236 HydrophobicContact CD2-CG2 4.46Å; I229-V236 HydrophobicContact CB-CB 4.32Å; I229-V236 PolarHBondContact N-O 3.5Å; I229-V236 PolarHBondContact O-N 3.28Å; V236-V262 CarbonylContact C-O 3.57Å; V236-V262 WeakPolarHBondContact CA-O 3.47Å; V236-V262 HydrophobicContact CG1-CB 4.48Å; V236-V262 HydrophobicContact CG2-CB 4.47Å; V236-I264 HydrophobicContact CG1-CD1 4.03Å; V236-I264 HydrophobicContact CG1-CG1 4.41Å; V236-F511 HydrophobicContact CG2-CZ 4.4Å
237S97.5Very high91.9Very high0 Ų030.6 Ų30.60%016%0.16CC..EExtended strand (participates in β ladder)trans-106.1123.9172.2-71.30000109.7S260 V262 L263 I264S237-S260 WeakPolarHBondContact CB-OG 3.25Å; S237-S260 PolarHBondContact OG-OG 3.08Å; S237-V262 PolarHBondContact N-O 2.78Å; S237-L263 CarbonylContact O-C 3.41Å; S237-L263 WeakPolarHBondContact O-CA 3.41Å; S237-I264 PolarHBondContact O-N 2.91Å
238Y98.1Very high91.6Very high0 Ų030.7 Ų30.70%016%0.161CC..EExtended strand (participates in β ladder)trans-102.5108173.9-179.7-120.6000109.2P13 L26 D27 S104 N226 W227 I264 T266P13-Y238 WeakPolarHBondContact CG-OH 3.48Å; L26-Y238 HydrophobicContact CB-CD1 4.19Å; L26-Y238 HydrophobicContact CB-CD2 4.39Å; L26-Y238 HydrophobicContact CB-CE1 3.95Å; L26-Y238 HydrophobicContact CB-CE2 4.17Å; L26-Y238 HydrophobicContact CB-CG 4.4Å; L26-Y238 HydrophobicContact CD1-CD2 3.8Å; L26-Y238 HydrophobicContact CD1-CE2 4.25Å; L26-Y238 HydrophobicContact CD1-CG 3.96Å; L26-Y238 HydrophobicContact CD2-CD1 4.43Å; L26-Y238 HydrophobicContact CD2-CG 4.48Å; D27-Y238 WeakPolarHBondContact OD2-CE1 3.29Å; D27-Y238 VanDerWaalsContact OD2-CZ 3.29Å; D27-Y238 PolarHBondContact OD2-OH 3.08Å; S104-Y238 WeakPolarHBondContact OG-CE1 3.47Å; N226-Y238 CarbonylContact C-O 3.55Å; N226-Y238 WeakPolarHBondContact CA-O 3.48Å; N226-Y238 WeakPolarHBondContact CB-O 3.3Å; W227-Y238 HydrophobicContact CB-CD1 4.47Å; W227-Y238 PolarHBondContact N-O 3.46Å; W227-Y238 PolarHBondContact O-N 3.15Å; Y238-I264 HydrophobicContact CD2-CB 3.88Å; Y238-I264 HydrophobicContact CD2-CG2 3.71Å; Y238-I264 HydrophobicContact CE2-CG2 3.91Å; Y238-T266 HydrophobicContact CE2-CG2 4.09Å; Y238-T266 PolarHBondContact OH-OG1 3.42Å
239V97.6Very high91.5Very high1 Ų130.7 Ų30.71%0.00616%0.161CC..EExtended strand (participates in β ladder)trans-99.7102.3176.7-178.80000107.7N226 S242 M252 L257 L263 I264 L265 T266N226-V239 WeakPolarHBondContact OD1-CA 3.39Å; V239-S242 WeakPolarHBondContact CG1-OG 3.37Å; V239-M252 HydrophobicContact CG1-CE 4.38Å; V239-L257 HydrophobicContact CG2-CD1 4.03Å; V239-L257 HydrophobicContact CG2-CD2 4.49Å; V239-L263 HydrophobicContact CB-CD2 4.49Å; V239-L263 HydrophobicContact CG2-CD1 4.19Å; V239-L263 HydrophobicContact CG2-CD2 4.16Å; V239-L263 HydrophobicContact CG2-CG 4.15Å; V239-I264 PolarHBondContact N-O 2.81Å; V239-L265 HydrophobicContact CB-CD1 3.98Å; V239-L265 HydrophobicContact CG1-CD1 3.8Å; V239-T266 PolarHBondContact O-N 2.89Å; V239-T266 PolarHBondContact O-OG1 3.19Å
240S92.1Very high91.4Very high2 Ų234 Ų341%0.01418%0.176CC..  trans-96.8172.2172.3-168.10000109D27 S104 N226 S242 T266D27-S240 PolarHBondContact OD2-OG 2.85Å; S104-S240 WeakPolarHBondContact CB-OG 3.33Å; S104-S240 WeakPolarHBondContact OG-CB 3.3Å; N226-S240 PolarHBondContact OD1-N 2.6Å; N226-S240 PolarHBondContact OD1-O 2.81Å; N226-S240 VanDerWaalsContact OD1-O 3.09Å; S240-S242 WeakPolarHBondContact O-CB 3.13Å; S240-S242 PolarHBondContact O-N 2.94Å; S240-S242 PolarHBondContact O-OG 2.63Å; S240-T266 WeakPolarHBondContact CA-OG1 3.39Å
241G91.1Very high91.6Very high2 Ų235 Ų352%0.02119%0.187CC..SBendtrans-32104-17100000113.4S218 Y220 G267S218-G241 PolarHBondContact OG-O 3.05Å; Y220-G241 WeakPolarHBondContact CB-O 3.36Å; Y220-G241 WeakPolarHBondContact CD1-O 3.21Å; G241-G267 WeakPolarHBondContact CA-O 3.13Å
242S96.1Very high92Very high2 Ų234.9 Ų34.91%0.01419%0.185CC..  trans-122.5159.5-169.6-71.50000110.3S218 N226 V239 S240 R453 L454S218-S242 WeakPolarHBondContact O-CA 3.41Å; S218-S242 WeakPolarHBondContact O-CB 3.46Å; N226-S242 PolarHBondContact ND2-OG 2.93Å; N226-S242 PolarHBondContact OD1-OG 3.26Å; N226-S242 VanDerWaalsContact OD1-OG 3.05Å; V239-S242 WeakPolarHBondContact CG1-OG 3.37Å; S240-S242 WeakPolarHBondContact O-CB 3.13Å; S240-S242 PolarHBondContact O-N 2.94Å; S240-S242 PolarHBondContact O-OG 2.63Å; S242-R453 CarbonylContact O-C 3.5Å; S242-R453 VanDerWaalsContact O-CA 3.25Å; S242-R453 WeakPolarHBondContact O-CA 3.47Å; S242-L454 WeakPolarHBondContact O-CG 3.4Å; S242-L454 PolarHBondContact O-N 2.88Å
243S95.3Very high92.6Very high1 Ų132.3 Ų32.31%0.00717%0.174CC..  trans-140.4142.1177173.20000111.1S218 G219 L245 T452S218-S243 PolarHBondContact O-N 2.88Å; G219-S243 WeakPolarHBondContact O-CB 3.32Å; S243-L245 PolarHBondContact OG-N 2.94Å; S243-L245 PolarHBondContact OG-O 3.12Å; S243-T452 WeakPolarHBondContact CB-O 3.42Å; S243-T452 PolarHBondContact OG-O 2.96Å
244L92.8Very high93.2Very high58 Ų5829.7 Ų29.730%0.30416%0.162SC..  trans-99.3-5.7167.4-66.7177.8000112.4M252 L454 Q458L244-M252 HydrophobicContact CD2-CB 4.43Å; L244-M252 HydrophobicContact CD2-SD 4.04Å; L244-L454 HydrophobicContact CB-CD2 4.2Å; L244-L454 HydrophobicContact CD1-CD2 4.14Å; L244-L454 HydrophobicContact CG-CD2 3.62Å; L244-Q458 HydrophobicContact CD1-CB 4.29Å
245L89.4Confident93.5Very high64 Ų6431.8 Ų31.834%0.33518%0.181SC..SBendtrans-75136.6175.4-61.2177.4000109.4S243 T247 P276 T452S243-L245 PolarHBondContact OG-N 2.94Å; S243-L245 PolarHBondContact OG-O 3.12Å; L245-T247 PolarHBondContact O-N 2.78Å; L245-P276 HydrophobicContact CD1-CB 4.44Å; L245-P276 HydrophobicContact CD1-CG 4Å; L245-T452 HydrophobicContact CD1-CG2 4.29Å
246T82Confident93.6Very high126 Ų12632 Ų3277%0.77319%0.187SC*.  trans-86.888.117853.10000109.9
247T85.9Confident93.5Very high37 Ų3732 Ų3223%0.22719%0.187CC..SBendtrans-99.1-134.8169.761.10000110L245 P249 C350 T452L245-T247 PolarHBondContact O-N 2.78Å; T247-P249 WeakPolarHBondContact OG1-CD 2.88Å; T247-C350 PolarHBondContact O-SG 2.69Å; T247-T452 HydrophobicContact CG2-CG2 4.32Å
248H91.6Very high93.4Very high2 Ų237 Ų371%0.00921%0.209CC..SBendtrans-80.6-33.9-179.965.4-88.6000116.5D309 L349 C350 K353 F364H248-D309 IonicContact CE1-OD1 3.25Å; H248-D309 IonicContact CE1-OD2 3.11Å; H248-D309 PolarHBondContact CE1-OD2 3.18Å; H248-D309 IonicContact CG-OD1 2.92Å; H248-D309 IonicContact ND1-OD1 2.64Å; H248-D309 PolarHBondContact ND1-OD1 2.65Å; H248-D309 IonicContact ND1-OD2 3.79Å; H248-D309 PolarHBondContact ND1-OD2 2.63Å; H248-L349 HydrophobicContact CB-CD2 4.35Å; H248-L349 CarbonylContact O-C 3.53Å; H248-L349 VanDerWaalsContact O-CA 3.29Å; H248-L349 WeakPolarHBondContact O-CA 3.29Å; H248-L349 WeakPolarHBondContact O-CB 3.4Å; H248-L349 WeakPolarHBondContact O-CD2 3.34Å; H248-C350 PolarHBondContact O-N 3.41Å; H248-K353 HydrophobicContact CB-CD 3.97Å; H248-F364 HydrophobicContact CB-CE1 3.48Å; H248-F364 VanDerWaalsContact CB-CE1 3.48Å; H248-F364 HydrophobicContact CB-CZ 3.58Å; H248-F364 AromaticContact CD2-CZ 3.87Å; H248-F364 AromaticContact CG-CE1 3.83Å; H248-F364 AromaticContact CG-CZ 3.84Å
249P95.3Very high93Very high4 Ų443.1 Ų43.13%0.02624%0.241CC..BIsolated β-bridgetrans-71.6161.8-176.7-16.231.7000113.3T247 C350T247-P249 WeakPolarHBondContact OG1-CD 2.88Å; P249-C350 WeakPolarHBondContact O-CB 3Å; P249-C350 PolarHBondContact O-N 2.94Å
250Q95.8Very high92.8Very high68 Ų6843 Ų4332%0.31824%0.241SC..PPolyproline II helixtrans-55.8131.6168.2-178.9176.7-19.300110.6S217 G219 W348S217-Q250 PolarHBondContact OG-O 3.27Å; G219-Q250 VanDerWaalsContact CA-O 3.31Å; G219-Q250 WeakPolarHBondContact CA-O 3.43Å; Q250-W348 WeakPolarHBondContact CB-O 3.1Å; Q250-W348 PolarHBondContact N-O 3.41Å
251P95.9Very high92.8Very high73 Ų7344.8 Ų44.847%0.47425%0.25SC..PPolyproline II helixtrans-55.8154-179.8-26.734.6000114.1S217 D253S217-P251 WeakPolarHBondContact CB-O 3.45Å; S217-P251 PolarHBondContact OG-O 3.18Å; P251-D253 PolarHBondContact O-N 3.13Å
252M95.8Very high93Very high17 Ų1744.7 Ų44.78%0.08425%0.249CC..PPolyproline II helixtrans-61.7131179.5-175.7-179.5171.600112.5S217 S218 V239 L244 Q254 L257 L462S217-M252 WeakPolarHBondContact O-CA 3.46Å; S218-M252 WeakPolarHBondContact O-CB 3.08Å; V239-M252 HydrophobicContact CG1-CE 4.38Å; L244-M252 HydrophobicContact CD2-CB 4.43Å; L244-M252 HydrophobicContact CD2-SD 4.04Å; M252-Q254 HydrophobicContact CE-CG 4.37Å; M252-Q254 HydrophobicContact CG-CG 4.25Å; M252-Q254 PolarHBondContact O-N 2.96Å; M252-Q254 HydrophobicContact SD-CG 4.31Å; M252-L257 HydrophobicContact CE-CD1 3.52Å; M252-L462 HydrophobicContact CE-CD1 4.14Å; M252-L462 HydrophobicContact CE-CD2 3.78Å
253D94.9Very high93.1Very high39 Ų3944.6 Ų44.621%0.20925%0.248CC..  trans-85.9105.9169.917913.4000110.9L216 S217 P251 S255 S256L216-D253 HydrophobicContact CB-CB 4.41Å; S217-D253 PolarHBondContact O-N 3.43Å; S217-D253 VanDerWaalsContact O-N 3.09Å; P251-D253 PolarHBondContact O-N 3.13Å; D253-S255 WeakPolarHBondContact OD1-CB 3.4Å; D253-S255 PolarHBondContact OD1-N 3.21Å; D253-S255 PolarHBondContact OD1-OG 3.19Å; D253-S256 PolarHBondContact OD1-N 3.22Å; D253-S256 VanDerWaalsContact OD2-CB 3.31Å; D253-S256 WeakPolarHBondContact OD2-CB 3.35Å; D253-S256 PolarHBondContact OD2-OG 3.08Å
254Q94.1Very high93.1Very high55 Ų5544.6 Ų44.626%0.25725%0.248SC..  trans-91-22.5178.9-59.4175.761.800112.7M252 S256 L257 L462M252-Q254 HydrophobicContact CE-CG 4.37Å; M252-Q254 HydrophobicContact CG-CG 4.25Å; M252-Q254 PolarHBondContact O-N 2.96Å; M252-Q254 HydrophobicContact SD-CG 4.31Å; Q254-S256 PolarHBondContact O-N 3.05Å; Q254-L257 PolarHBondContact O-N 2.84Å; Q254-L462 HydrophobicContact CB-CD1 4.3Å; Q254-L462 HydrophobicContact CG-CD1 3.81Å; Q254-L462 VanDerWaalsContact OE1-CD1 3.27Å
255S93.8Very high93.3Very high78 Ų7841.9 Ų41.955%0.54523%0.234SC..G310 helixtrans-66.7-41.8-171.868.80000111.4D253 L257 K258D253-S255 WeakPolarHBondContact OD1-CB 3.4Å; D253-S255 PolarHBondContact OD1-N 3.21Å; D253-S255 PolarHBondContact OD1-OG 3.19Å; S255-L257 PolarHBondContact O-N 2.85Å; S255-K258 WeakPolarHBondContact O-CG 3.43Å; S255-K258 PolarHBondContact O-N 2.83Å
256S93.9Very high93.7Very high43 Ų4338.9 Ų38.930%0.30122%0.218SC..G310 helixtrans-71.5-11179.2-61.20000113.3K235 D253 Q254K235-S256 VanDerWaalsContact CE-O 3.28Å; K235-S256 WeakPolarHBondContact CE-O 3.27Å; K235-S256 PolarHBondContact NZ-O 2.87Å; D253-S256 PolarHBondContact OD1-N 3.22Å; D253-S256 VanDerWaalsContact OD2-CB 3.31Å; D253-S256 WeakPolarHBondContact OD2-CB 3.35Å; D253-S256 PolarHBondContact OD2-OG 3.08Å; Q254-S256 PolarHBondContact O-N 3.05Å
257L95Very high94.2Very high0 Ų033 Ų330%018%0.182CC..G310 helixtrans-87.3-18.1177.3-58178.6000113.2L216 V228 V239 M252 Q254 S255 S260 V466L216-L257 HydrophobicContact CD1-CD2 3.83Å; L216-L257 HydrophobicContact CD1-CG 4.39Å; V228-L257 HydrophobicContact CG2-CD2 4.09Å; V239-L257 HydrophobicContact CG2-CD1 4.03Å; V239-L257 HydrophobicContact CG2-CD2 4.49Å; M252-L257 HydrophobicContact CE-CD1 3.52Å; Q254-L257 PolarHBondContact O-N 2.84Å; S255-L257 PolarHBondContact O-N 2.85Å; L257-S260 PolarHBondContact O-OG 3.5Å; L257-V466 HydrophobicContact CB-CG1 3.99Å; L257-V466 HydrophobicContact CB-CG2 4.06Å; L257-V466 VanDerWaalsContact O-CG1 3.24Å; L257-V466 WeakPolarHBondContact O-CG1 3.5Å
258K94.5Very high94.7Very high106 Ų10631.3 Ų31.346%0.46117%0.172SC..SBendtrans-56149.7-176.6-68.9-176.8174.8-176.40112.9K235 S255 S260 V466K235-K258 PolarHBondContact NZ-O 2.86Å; S255-K258 WeakPolarHBondContact O-CG 3.43Å; S255-K258 PolarHBondContact O-N 2.83Å; K258-S260 VanDerWaalsContact C-N 3.3Å; K258-S260 PolarHBondContact O-N 3.4Å; K258-V466 WeakPolarHBondContact CA-O 3.34Å
259N89.6Confident94.7Very high127 Ų12731.8 Ų31.868%0.67918%0.175SC*.SBendtrans56.940.7176.4-50.7-32.4000112.9V466N259-V466 PolarHBondContact N-O 3.06Å
260S93.3Very high94.2Very high0 Ų034.4 Ų34.40%019%0.187CC..  trans-81.3134.9173.7-64.10000110.5S237 L257 K258 P468 L469S237-S260 WeakPolarHBondContact CB-OG 3.25Å; S237-S260 PolarHBondContact OG-OG 3.08Å; L257-S260 PolarHBondContact O-OG 3.5Å; K258-S260 VanDerWaalsContact C-N 3.3Å; K258-S260 PolarHBondContact O-N 3.4Å; S260-P468 CarbonylContact O-C 3.47Å; S260-P468 WeakPolarHBondContact O-CA 3.45Å; S260-L469 PolarHBondContact O-N 3.17Å
261D93.4Very high93.8Very high38 Ų3833.6 Ų33.620%0.20318%0.184CC..SBendtrans-68.7-40.7174.6-59.5-70.9000110.7E234 K235 L469 H470 F511E234-D261 VanDerWaalsContact CA-OD2 3.27Å; E234-D261 WeakPolarHBondContact CA-OD2 3.4Å; K235-D261 PolarHBondContact N-OD2 3.28Å; K235-D261 PolarHBondContact O-N 3.22Å; D261-L469 HydrophobicContact CB-CD1 4.48Å; D261-L469 WeakPolarHBondContact O-CB 3.49Å; D261-L469 WeakPolarHBondContact OD1-CD1 3.33Å; D261-H470 PolarHBondContact O-N 2.79Å; D261-F511 HydrophobicContact CB-CE1 3.79Å; D261-F511 HydrophobicContact CB-CZ 4.34Å
262V94.9Very high93.3Very high0 Ų032 Ų320%017%0.173CC..EExtended strand (participates in β ladder)trans-132.8129.2174.5179.60000109K235 V236 S237 I264 H470 V472 L509 F511K235-V262 PolarHBondContact O-N 2.57Å; V236-V262 CarbonylContact C-O 3.57Å; V236-V262 WeakPolarHBondContact CA-O 3.47Å; V236-V262 HydrophobicContact CG1-CB 4.48Å; V236-V262 HydrophobicContact CG2-CB 4.47Å; S237-V262 PolarHBondContact N-O 2.78Å; V262-I264 HydrophobicContact CG1-CG1 4.09Å; V262-H470 CarbonylContact C-O 3.57Å; V262-H470 WeakPolarHBondContact CA-O 3.28Å; V262-H470 HydrophobicContact CG2-CB 4.34Å; V262-V472 HydrophobicContact CG1-CG2 3.72Å; V262-L509 HydrophobicContact CG1-CD1 4.22Å; V262-L509 HydrophobicContact CG1-CD2 4.39Å; V262-L509 HydrophobicContact CG2-CB 4.48Å; V262-F511 HydrophobicContact CB-CZ 4.31Å; V262-F511 HydrophobicContact CG2-CE1 4.32Å; V262-F511 HydrophobicContact CG2-CE2 3.67Å; V262-F511 HydrophobicContact CG2-CZ 3.39Å
263L96.9Very high92.8Very high1 Ų135 Ų351%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-110.7115169.1-171152.6000108.9S237 V239 L265 L463 V466 P468 H470 V471 V472S237-L263 CarbonylContact O-C 3.41Å; S237-L263 WeakPolarHBondContact O-CA 3.41Å; V239-L263 HydrophobicContact CB-CD2 4.49Å; V239-L263 HydrophobicContact CG2-CD1 4.19Å; V239-L263 HydrophobicContact CG2-CD2 4.16Å; V239-L263 HydrophobicContact CG2-CG 4.15Å; L263-L265 HydrophobicContact CD2-CB 3.86Å; L263-L463 HydrophobicContact CD1-CD2 3.97Å; L263-L463 HydrophobicContact CD2-CD2 4.04Å; L263-V466 HydrophobicContact CD1-CG1 3.89Å; L263-P468 HydrophobicContact CB-CB 3.72Å; L263-P468 HydrophobicContact CB-CG 4.03Å; L263-P468 HydrophobicContact CD1-CB 4.4Å; L263-P468 HydrophobicContact CD1-CG 4.24Å; L263-H470 PolarHBondContact N-O 2.99Å; L263-V471 CarbonylContact O-C 3.49Å; L263-V471 WeakPolarHBondContact O-CA 3.35Å; L263-V472 PolarHBondContact O-N 3.06Å
264I97.2Very high92.6Very high0 Ų034.3 Ų34.30%019%0.193CC..EExtended strand (participates in β ladder)trans-93.6118.3174.1-58.4170.3000107.2L3 L26 V236 S237 Y238 V239 V262 V472L3-I264 HydrophobicContact CD1-CD1 3.91Å; L3-I264 HydrophobicContact CD2-CD1 4.24Å; L26-I264 HydrophobicContact CD1-CD1 3.89Å; V236-I264 HydrophobicContact CG1-CD1 4.03Å; V236-I264 HydrophobicContact CG1-CG1 4.41Å; S237-I264 PolarHBondContact O-N 2.91Å; Y238-I264 HydrophobicContact CD2-CB 3.88Å; Y238-I264 HydrophobicContact CD2-CG2 3.71Å; Y238-I264 HydrophobicContact CE2-CG2 3.91Å; V239-I264 PolarHBondContact N-O 2.81Å; V262-I264 HydrophobicContact CG1-CG1 4.09Å; I264-V472 WeakPolarHBondContact CA-O 3.42Å; I264-V472 HydrophobicContact CG1-CB 4.18Å
265L96.9Very high92.5Very high1 Ų136.3 Ų36.31%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-112.1125.3-175.1-178.968000111V239 L263 L268 V459 V472 C473 P474 L492V239-L265 HydrophobicContact CB-CD1 3.98Å; V239-L265 HydrophobicContact CG1-CD1 3.8Å; L263-L265 HydrophobicContact CD2-CB 3.86Å; L265-L268 HydrophobicContact CD1-CD2 4.11Å; L265-L268 HydrophobicContact CD2-CD1 4.33Å; L265-L268 HydrophobicContact CD2-CD2 4.22Å; L265-L268 HydrophobicContact CG-CD2 4.22Å; L265-V459 HydrophobicContact CD2-CG1 3.49Å; L265-V459 VanDerWaalsContact CD2-CG1 3.49Å; L265-V459 HydrophobicContact CD2-CG2 4.35Å; L265-V472 PolarHBondContact N-O 3.48Å; L265-C473 HydrophobicContact CB-CB 4.45Å; L265-P474 WeakPolarHBondContact O-CD 3.48Å; L265-L492 HydrophobicContact CD2-CD1 3.8Å
266T96.1Very high92.4Very high2 Ų233.3 Ų33.31%0.01218%0.184CC..  trans-138.6171.3175.859.60000110.5P13 Y238 V239 S240 Y501P13-T266 HydrophobicContact CB-CG2 3.88Å; P13-T266 HydrophobicContact CG-CG2 4.1Å; Y238-T266 HydrophobicContact CE2-CG2 4.09Å; Y238-T266 PolarHBondContact OH-OG1 3.42Å; V239-T266 PolarHBondContact O-N 2.89Å; V239-T266 PolarHBondContact O-OG1 3.19Å; S240-T266 WeakPolarHBondContact CA-OG1 3.39Å; T266-Y501 WeakPolarHBondContact CG2-OH 3.26Å
267G94.2Very high92.3Very high1 Ų136.8 Ų36.81%0.0120%0.199CC..  trans70.836.6169.200000115.5P10 G241 R453 Y477P10-G267 PolarHBondContact O-N 3.03Å; G241-G267 WeakPolarHBondContact CA-O 3.13Å; G267-R453 WeakPolarHBondContact O-CB 3.48Å; G267-R453 VanDerWaalsContact O-CD 3.32Å; G267-R453 WeakPolarHBondContact O-CD 3.35Å; G267-Y477 PolarHBondContact N-OH 3.19Å
268L94.7Very high92.2Very high2 Ų238.5 Ų38.51%0.0122%0.217CC..  trans-73.2162.3168.8-55.2-171000111.9T11 L265 L454 F456 V459 Y477 L492T11-L268 WeakPolarHBondContact CG2-O 3.4Å; L265-L268 HydrophobicContact CD1-CD2 4.11Å; L265-L268 HydrophobicContact CD2-CD1 4.33Å; L265-L268 HydrophobicContact CD2-CD2 4.22Å; L265-L268 HydrophobicContact CG-CD2 4.22Å; L268-L454 HydrophobicContact CD2-CB 4.12Å; L268-F456 HydrophobicContact CD1-CD1 4.15Å; L268-F456 HydrophobicContact CD1-CE1 3.92Å; L268-F456 HydrophobicContact CD1-CZ 4.45Å; L268-V459 HydrophobicContact CD1-CG2 4.11Å; L268-V459 HydrophobicContact CD2-CG2 3.36Å; L268-V459 HydrophobicContact CG-CG2 4.38Å; L268-Y477 HydrophobicContact CB-CE1 3.94Å; L268-Y477 HydrophobicContact CB-CE2 4.14Å; L268-Y477 WeakPolarHBondContact CB-OH 3.41Å; L268-Y477 HydrophobicContact CD1-CD1 4.14Å; L268-Y477 HydrophobicContact CD1-CD2 3.67Å; L268-Y477 HydrophobicContact CD1-CE1 4.17Å; L268-Y477 HydrophobicContact CD1-CE2 3.72Å; L268-Y477 HydrophobicContact CD1-CG 3.9Å; L268-Y477 HydrophobicContact CG-CD2 4.05Å; L268-Y477 HydrophobicContact CG-CE1 4.18Å; L268-Y477 HydrophobicContact CG-CE2 3.55Å; L268-Y477 PolarHBondContact N-OH 2.88Å; L268-L492 HydrophobicContact CD1-CD1 4.34Å
269T92.4Very high92.2Very high12 Ų1234.8 Ų34.87%0.07420%0.201CC..  trans-60.4140.6178-177.60000112.3M271 P272 D451 L454 N455T269-M271 PolarHBondContact OG1-N 3.46Å; T269-M271 VanDerWaalsContact OG1-N 3.13Å; T269-P272 HydrophobicContact CG2-CB 3.95Å; T269-D451 WeakPolarHBondContact CA-OD2 3.38Å; T269-D451 WeakPolarHBondContact CB-OD2 3.36Å; T269-D451 VanDerWaalsContact OG1-CG 3.23Å; T269-D451 PolarHBondContact OG1-OD2 3.41Å; T269-L454 PolarHBondContact N-O 2.91Å; T269-N455 HydrophobicContact CG2-CB 3.84Å
270Q85.4Confident92.5Very high60 Ų6030 Ų3028%0.2818%0.175SC..SBendtrans-85.8-15.2174-59.2-176.87.900112.2T11 P272 P427 D451T11-Q270 HydrophobicContact CG2-CG 3.93Å; T11-Q270 PolarHBondContact OG1-NE2 3.06Å; Q270-P272 VanDerWaalsContact C-CD 3.47Å; Q270-P272 WeakPolarHBondContact O-CD 3.13Å; Q270-P427 HydrophobicContact CB-CB 4.34Å; Q270-P427 PolarHBondContact OE1-O 3.49Å; Q270-P427 VanDerWaalsContact OE1-O 3.09Å; Q270-D451 PolarHBondContact N-OD2 3.03Å
271M87.7Confident92.5Very high51 Ų5132 Ų3225%0.25120%0.196SC..  trans-124.964.3-176.6-66.1-59.2-56.400111.4T269 T273 A274 P427 Y447 P449T269-M271 PolarHBondContact OG1-N 3.46Å; T269-M271 VanDerWaalsContact OG1-N 3.13Å; M271-T273 PolarHBondContact O-N 3.24Å; M271-A274 HydrophobicContact CB-CB 4.02Å; M271-A274 PolarHBondContact O-N 2.77Å; M271-P427 HydrophobicContact CG-CB 4.01Å; M271-Y447 HydrophobicContact CE-CE1 4.01Å; M271-Y447 HydrophobicContact SD-CE1 4.37Å; M271-P449 HydrophobicContact CB-CB 4.41Å; M271-P449 HydrophobicContact CB-CG 4.35Å; M271-P449 HydrophobicContact CE-CG 4.12Å; M271-P449 HydrophobicContact CG-CB 3.88Å; M271-P449 HydrophobicContact CG-CG 4Å
272P84Confident92.6Very high39 Ų3934.7 Ų34.725%0.25321%0.207SC..THydrogen-bonded Turntrans-66.3-16.4-17128.4-37.4000114.6T269 Q270 F456 L490T269-P272 HydrophobicContact CG2-CB 3.95Å; Q270-P272 VanDerWaalsContact C-CD 3.47Å; Q270-P272 WeakPolarHBondContact O-CD 3.13Å; P272-F456 HydrophobicContact CB-CD2 4.23Å; P272-F456 HydrophobicContact CB-CE2 4.42Å; P272-F456 HydrophobicContact CG-CE2 4.4Å; P272-L490 HydrophobicContact CB-CD2 3.59Å; P272-L490 HydrophobicContact CG-CD1 4.07Å; P272-L490 HydrophobicContact CG-CD2 3.49Å; P272-L490 VanDerWaalsContact CG-CD2 3.49Å; P272-L490 HydrophobicContact CG-CG 4.29Å
273T86.1Confident92.7Very high81 Ų8134.7 Ų34.750%0.49721%0.207SC..THydrogen-bonded Turntrans-87.9-14.317656.30000113.4M271 L490M271-T273 PolarHBondContact O-N 3.24Å; T273-L490 HydrophobicContact CG2-CD1 4.46Å
274A89.9Confident92.6Very high24 Ų2434.9 Ų34.920%0.19821%0.209CC..  trans-89124.1-179.400000109.4M271 M279 P449M271-A274 HydrophobicContact CB-CB 4.02Å; M271-A274 PolarHBondContact O-N 2.77Å; A274-M279 HydrophobicContact CB-CG 4Å; A274-M279 HydrophobicContact CB-SD 4.32Å; A274-P449 HydrophobicContact CB-CG 4.11Å
275N91.9Very high92.5Very high96 Ų9637.6 Ų37.651%0.51323%0.228SC..  trans-85.9120.8171.7-179.7-19.5000109D277 G278 M279N275-D277 VanDerWaalsContact C-N 3.32Å; N275-D277 PolarHBondContact O-N 2.74Å; N275-D277 PolarHBondContact OD1-N 3.05Å; N275-G278 PolarHBondContact O-N 2.86Å; N275-G278 VanDerWaalsContact O-N 3.13Å; N275-M279 VanDerWaalsContact O-CG 3.3Å; N275-M279 WeakPolarHBondContact O-CG 3.09Å; N275-M279 PolarHBondContact O-N 2.8Å
276P92.1Very high92.5Very high16 Ų1638.6 Ų38.610%0.10423%0.233CC..Hα-helixtrans-52.5-43.6-179.6-29.938000114.4L245 G278 M279 L280 D451L245-P276 HydrophobicContact CD1-CB 4.44Å; L245-P276 HydrophobicContact CD1-CG 4Å; P276-G278 PolarHBondContact O-N 2.95Å; P276-M279 PolarHBondContact O-N 3.4Å; P276-L280 WeakPolarHBondContact O-CB 3.33Å; P276-L280 WeakPolarHBondContact O-CG 3.44Å; P276-L280 PolarHBondContact O-N 3.3Å; P276-D451 WeakPolarHBondContact CG-O 3.35Å
277D91.3Very high92.6Very high116 Ų11638.5 Ų38.562%0.6223%0.233SC*.Hα-helixtrans-66.3-40.4-179.1-66.7-20.5000111.5N275 L280 G281N275-D277 VanDerWaalsContact C-N 3.32Å; N275-D277 PolarHBondContact O-N 2.74Å; N275-D277 PolarHBondContact OD1-N 3.05Å; D277-L280 PolarHBondContact O-N 2.9Å; D277-G281 PolarHBondContact O-N 3.48Å
278G93.8Very high92.6Very high36 Ų3638.6 Ų38.637%0.37123%0.233SC..Hα-helixtrans-64.8-43.8175.600000111.9N275 P276 L280 G281 E282N275-G278 PolarHBondContact O-N 2.86Å; N275-G278 VanDerWaalsContact O-N 3.13Å; P276-G278 PolarHBondContact O-N 2.95Å; G278-L280 PolarHBondContact O-N 3.35Å; G278-G281 PolarHBondContact O-N 3.44Å; G278-E282 PolarHBondContact O-N 2.84Å
279M95.5Very high92.7Very high28 Ų2843 Ų4314%0.13826%0.255CS..Hα-helixtrans-65.9-36.1177.9-64.7-63.296.200112.2A274 N275 P276 E282 F283 C448 P449 I450A274-M279 HydrophobicContact CB-CG 4Å; A274-M279 HydrophobicContact CB-SD 4.32Å; N275-M279 VanDerWaalsContact O-CG 3.3Å; N275-M279 WeakPolarHBondContact O-CG 3.09Å; N275-M279 PolarHBondContact O-N 2.8Å; P276-M279 PolarHBondContact O-N 3.4Å; M279-E282 VanDerWaalsContact CE-CD 3.49Å; M279-E282 HydrophobicContact CE-CG 4.39Å; M279-E282 VanDerWaalsContact CE-OE1 3.3Å; M279-E282 WeakPolarHBondContact CE-OE1 3.41Å; M279-E282 PolarHBondContact O-N 3.49Å; M279-F283 WeakPolarHBondContact O-CB 3.32Å; M279-F283 PolarHBondContact O-N 2.87Å; M279-C448 HydrophobicContact CB-CB 4.5Å; M279-P449 WeakPolarHBondContact CG-O 3.38Å; M279-I450 HydrophobicContact CB-CG1 4.42Å
280L94.1Very high92.9Very high26 Ų2642.8 Ų42.814%0.13625%0.254CS..Hα-helixtrans-62.4-42.4170.7-79.5169.2000111.8P276 D277 G278 F283 C284 L310 C313 I450P276-L280 WeakPolarHBondContact O-CB 3.33Å; P276-L280 WeakPolarHBondContact O-CG 3.44Å; P276-L280 PolarHBondContact O-N 3.3Å; D277-L280 PolarHBondContact O-N 2.9Å; G278-L280 PolarHBondContact O-N 3.35Å; L280-F283 WeakPolarHBondContact O-CB 3.44Å; L280-F283 PolarHBondContact O-N 3.36Å; L280-C284 PolarHBondContact O-N 2.98Å; L280-L310 HydrophobicContact CD2-CD2 3.74Å; L280-C313 HydrophobicContact CD2-CB 4.36Å; L280-I450 HydrophobicContact CD2-CD1 3.53Å; L280-I450 HydrophobicContact CD2-CG1 4.32Å; L280-I450 HydrophobicContact CG-CD1 4.07Å; L280-I450 HydrophobicContact CG-CG1 4.34Å
281G93.9Very high93.5Very high42 Ų4240.5 Ų40.543%0.43324%0.243SC..Hα-helixtrans-61.6-44.4174.100000112.8D277 G278 C284 S285D277-G281 PolarHBondContact O-N 3.48Å; G278-G281 PolarHBondContact O-N 3.44Å; G281-C284 PolarHBondContact O-N 3.41Å; G281-S285 WeakPolarHBondContact O-CB 3.41Å; G281-S285 PolarHBondContact O-N 3.1Å
282E95.6Very high93.8Very high94 Ų9445.7 Ų45.744%0.43926%0.26SS..Hα-helixtrans-63.8-40175.2-73.9-173.8-158.300112.5G278 M279 S285 N286G278-E282 PolarHBondContact O-N 2.84Å; M279-E282 VanDerWaalsContact CE-CD 3.49Å; M279-E282 HydrophobicContact CE-CG 4.39Å; M279-E282 VanDerWaalsContact CE-OE1 3.3Å; M279-E282 WeakPolarHBondContact CE-OE1 3.41Å; M279-E282 PolarHBondContact O-N 3.49Å; E282-S285 PolarHBondContact O-N 3.31Å; E282-N286 WeakPolarHBondContact O-CB 3.41Å; E282-N286 PolarHBondContact O-N 2.87Å; E282-N286 PolarHBondContact O-ND2 3.01Å
283F96.9Very high94.3Very high0 Ų046.9 Ų46.90%027%0.273CS..Hα-helixtrans-57.3-54.4173.8167-93.5000110.8M279 L280 S285 N286 L287 V299 L310 L314 F396 I423 T425 C448M279-F283 WeakPolarHBondContact O-CB 3.32Å; M279-F283 PolarHBondContact O-N 2.87Å; L280-F283 WeakPolarHBondContact O-CB 3.44Å; L280-F283 PolarHBondContact O-N 3.36Å; F283-S285 VanDerWaalsContact C-N 3.35Å; F283-S285 PolarHBondContact O-N 2.92Å; F283-N286 PolarHBondContact O-N 2.92Å; F283-L287 HydrophobicContact CE1-CD1 4.07Å; F283-L287 HydrophobicContact CZ-CD1 3.83Å; F283-L287 VanDerWaalsContact O-CB 3.27Å; F283-L287 WeakPolarHBondContact O-CB 3.21Å; F283-L287 PolarHBondContact O-N 3.14Å; F283-V299 HydrophobicContact CE2-CG1 4.15Å; F283-V299 HydrophobicContact CE2-CG2 3.84Å; F283-V299 HydrophobicContact CZ-CG2 4.22Å; F283-L310 HydrophobicContact CD1-CD2 3.92Å; F283-L310 HydrophobicContact CD2-CD2 4.37Å; F283-L310 HydrophobicContact CE1-CD2 3.81Å; F283-L310 HydrophobicContact CE2-CD2 4.29Å; F283-L310 HydrophobicContact CG-CD2 4.22Å; F283-L310 HydrophobicContact CZ-CD2 4.02Å; F283-L314 HydrophobicContact CE1-CD1 3.93Å; F283-L314 HydrophobicContact CE1-CD2 3.92Å; F283-L314 HydrophobicContact CE1-CG 3.98Å; F283-L314 HydrophobicContact CZ-CD1 4.23Å; F283-F396 HydrophobicContact CZ-CE1 4.2Å; F283-F396 HydrophobicContact CZ-CZ 4.48Å; F283-I423 HydrophobicContact CD2-CB 4.35Å; F283-I423 HydrophobicContact CD2-CD1 4.37Å; F283-I423 HydrophobicContact CD2-CG2 3.69Å; F283-I423 HydrophobicContact CE2-CB 4.48Å; F283-I423 HydrophobicContact CE2-CD1 4.49Å; F283-I423 HydrophobicContact CE2-CG2 4.29Å; F283-T425 HydrophobicContact CD2-CG2 3.94Å; F283-T425 HydrophobicContact CE2-CG2 4.12Å; F283-C448 HydrophobicContact CB-CB 4.23Å
284C95.7Very high94.8Very high5 Ų545.1 Ų45.13%0.03427%0.271CS..Hα-helixtrans-60.4-42.5179.5-76.50000112.2L280 G281 L287 A288 C313 F317L280-C284 PolarHBondContact O-N 2.98Å; G281-C284 PolarHBondContact O-N 3.41Å; C284-L287 PolarHBondContact O-N 2.9Å; C284-A288 WeakPolarHBondContact O-CB 3.1Å; C284-A288 PolarHBondContact O-N 3.15Å; C284-C313 VanDerWaalsContact SG-SG 3.63Å; C284-F317 HydrophobicContact CB-CD1 3.76Å; C284-F317 HydrophobicContact CB-CD2 4.23Å; C284-F317 HydrophobicContact CB-CE1 3.7Å; C284-F317 HydrophobicContact CB-CE2 4.2Å; C284-F317 HydrophobicContact CB-CG 4.01Å; C284-F317 HydrophobicContact CB-CZ 3.93Å; C284-F317 VanDerWaalsContact O-CE1 3.25Å; C284-F317 WeakPolarHBondContact O-CE1 3.37Å
285S95.2Very high95.1Very high58 Ų5844 Ų4441%0.40626%0.262SS..Hα-helixtrans-63.5-49.7178.2-176.80000112.2G281 E282 F283 L287 A288 M289G281-S285 WeakPolarHBondContact O-CB 3.41Å; G281-S285 PolarHBondContact O-N 3.1Å; E282-S285 PolarHBondContact O-N 3.31Å; F283-S285 VanDerWaalsContact C-N 3.35Å; F283-S285 PolarHBondContact O-N 2.92Å; S285-L287 VanDerWaalsContact C-N 3.33Å; S285-L287 PolarHBondContact O-N 2.71Å; S285-A288 PolarHBondContact O-N 2.95Å; S285-M289 WeakPolarHBondContact O-CG 3.43Å; S285-M289 PolarHBondContact O-N 2.97Å
286N96.8Very high95.4Very high22 Ų2239.6 Ų39.612%0.11824%0.238CC..Hα-helixtrans-64.5-37.8178.7-80.7-76.2000112.3E282 F283 T290 I423 K444 V446E282-N286 WeakPolarHBondContact O-CB 3.41Å; E282-N286 PolarHBondContact O-N 2.87Å; E282-N286 PolarHBondContact O-ND2 3.01Å; F283-N286 PolarHBondContact O-N 2.92Å; N286-T290 WeakPolarHBondContact O-CB 3.32Å; N286-T290 PolarHBondContact O-N 3.39Å; N286-T290 VanDerWaalsContact O-N 3.08Å; N286-T290 PolarHBondContact O-OG1 3.24Å; N286-I423 HydrophobicContact CB-CD1 4.15Å; N286-K444 PolarHBondContact OD1-NZ 2.96Å; N286-V446 HydrophobicContact CB-CG1 4.36Å; N286-V446 HydrophobicContact CB-CG2 4.38Å
287L96.8Very high95.7Very high0 Ų038.8 Ų38.80%023%0.233CC..Hα-helixtrans-61-53.1174-177.8155.2000110.6F283 C284 S285 M289 T290 I291 V297 L314 L323 V394 I423F283-L287 HydrophobicContact CE1-CD1 4.07Å; F283-L287 HydrophobicContact CZ-CD1 3.83Å; F283-L287 VanDerWaalsContact O-CB 3.27Å; F283-L287 WeakPolarHBondContact O-CB 3.21Å; F283-L287 PolarHBondContact O-N 3.14Å; C284-L287 PolarHBondContact O-N 2.9Å; S285-L287 VanDerWaalsContact C-N 3.33Å; S285-L287 PolarHBondContact O-N 2.71Å; L287-M289 PolarHBondContact O-N 3.04Å; L287-T290 PolarHBondContact O-N 2.82Å; L287-I291 HydrophobicContact CD2-CG1 4.22Å; L287-I291 WeakPolarHBondContact O-CG1 3.36Å; L287-I291 PolarHBondContact O-N 2.85Å; L287-V297 HydrophobicContact CD1-CG1 4.35Å; L287-V297 HydrophobicContact CG-CG1 4.3Å; L287-V297 HydrophobicContact CG-CG2 4.21Å; L287-L314 HydrophobicContact CD1-CD1 4.48Å; L287-L314 HydrophobicContact CD1-CD2 3.95Å; L287-L314 HydrophobicContact CD2-CD2 4.49Å; L287-L323 HydrophobicContact CD2-CD1 3.71Å; L287-V394 HydrophobicContact CD1-CG1 3.88Å; L287-V394 HydrophobicContact CD1-CG2 3.95Å; L287-V394 HydrophobicContact CD2-CG2 4.06Å; L287-V394 HydrophobicContact CG-CG2 4.01Å; L287-I423 HydrophobicContact CB-CD1 4.22Å
288A96.1Very high96.1Very high3 Ų333.3 Ų33.33%0.02520%0.204CC..Hα-helixtrans-60-43.1179.800000112.7C284 S285 T290 I291 R292 F317 A321 L323C284-A288 WeakPolarHBondContact O-CB 3.1Å; C284-A288 PolarHBondContact O-N 3.15Å; S285-A288 PolarHBondContact O-N 2.95Å; A288-T290 VanDerWaalsContact C-N 3.32Å; A288-T290 PolarHBondContact O-N 3.12Å; A288-I291 PolarHBondContact O-N 2.85Å; A288-R292 WeakPolarHBondContact O-CB 3.45Å; A288-R292 VanDerWaalsContact O-CG 3.23Å; A288-R292 WeakPolarHBondContact O-CG 3.47Å; A288-R292 PolarHBondContact O-N 3.32Å; A288-F317 HydrophobicContact CB-CE1 3.85Å; A288-F317 HydrophobicContact CB-CZ 3.98Å; A288-A321 HydrophobicContact CB-CB 4.43Å; A288-L323 HydrophobicContact CB-CD1 4.31Å
289M95.8Very high96.3Very high94 Ų9431.6 Ų31.646%0.46319%0.186SC..Hα-helixtrans-59.8-42.7177-74.6-171.8-70.400111.9S285 L287 A293S285-M289 WeakPolarHBondContact O-CG 3.43Å; S285-M289 PolarHBondContact O-N 2.97Å; L287-M289 PolarHBondContact O-N 3.04Å; M289-A293 WeakPolarHBondContact O-CB 3.5Å; M289-A293 PolarHBondContact O-N 2.87Å; M289-A293 VanDerWaalsContact O-N 3.14Å
290T97.1Very high96.4Very high8 Ų830.3 Ų30.35%0.04918%0.18CC..Hα-helixtrans-66.2-47.3-179.7-55.20000111.4N286 L287 A288 R292 A293 G294 G295 V297 L419 T421N286-T290 WeakPolarHBondContact O-CB 3.32Å; N286-T290 PolarHBondContact O-N 3.39Å; N286-T290 VanDerWaalsContact O-N 3.08Å; N286-T290 PolarHBondContact O-OG1 3.24Å; L287-T290 PolarHBondContact O-N 2.82Å; A288-T290 VanDerWaalsContact C-N 3.32Å; A288-T290 PolarHBondContact O-N 3.12Å; T290-R292 PolarHBondContact O-N 3.44Å; T290-A293 WeakPolarHBondContact O-CB 3.24Å; T290-A293 PolarHBondContact O-N 2.89Å; T290-G294 PolarHBondContact O-N 3.01Å; T290-G295 PolarHBondContact O-N 3.2Å; T290-V297 HydrophobicContact CG2-CG2 3.63Å; T290-L419 WeakPolarHBondContact CG2-O 3.44Å; T290-T421 WeakPolarHBondContact CG2-OG1 3.28Å; T290-T421 WeakPolarHBondContact OG1-CB 3.44Å; T290-T421 PolarHBondContact OG1-OG1 3.23Å
291I96.8Very high96.5Very high11 Ų1129.1 Ų29.16%0.05617%0.173CC..Hα-helixtrans-64.3-42-180-63-60.1000111.3L287 A288 A293 G294 V297 L323 T326 P392 V394L287-I291 HydrophobicContact CD2-CG1 4.22Å; L287-I291 WeakPolarHBondContact O-CG1 3.36Å; L287-I291 PolarHBondContact O-N 2.85Å; A288-I291 PolarHBondContact O-N 2.85Å; I291-A293 PolarHBondContact O-N 3.01Å; I291-G294 WeakPolarHBondContact O-CA 3.43Å; I291-G294 PolarHBondContact O-N 3.08Å; I291-V297 HydrophobicContact CD1-CG2 3.97Å; I291-V297 HydrophobicContact CG1-CG2 4.16Å; I291-L323 HydrophobicContact CB-CD2 4.07Å; I291-L323 HydrophobicContact CG2-CD2 3.79Å; I291-T326 HydrophobicContact CD1-CG2 3.99Å; I291-T326 HydrophobicContact CG1-CG2 4.26Å; I291-T326 HydrophobicContact CG2-CG2 3.89Å; I291-T326 WeakPolarHBondContact CG2-OG1 3.44Å; I291-P392 HydrophobicContact CD1-CB 4.32Å; I291-P392 HydrophobicContact CG2-CG 4.47Å; I291-V394 HydrophobicContact CD1-CG2 3.9Å; I291-V394 HydrophobicContact CG1-CG2 4.18Å
292R94.8Very high96.6Very high161 Ų16127.8 Ų27.861%0.60816%0.156SC*.Hα-helixtrans-63.5-28.4176.2-72.3173.6-1731662.2113A288 T290 G294 A321A288-R292 WeakPolarHBondContact O-CB 3.45Å; A288-R292 VanDerWaalsContact O-CG 3.23Å; A288-R292 WeakPolarHBondContact O-CG 3.47Å; A288-R292 PolarHBondContact O-N 3.32Å; T290-R292 PolarHBondContact O-N 3.44Å; R292-G294 PolarHBondContact O-N 3.12Å; R292-A321 PolarHBondContact NH2-O 3.03Å
293A95.1Very high96.6Very high64 Ų6423.4 Ų23.453%0.52914%0.135SC..THydrogen-bonded Turntrans-78.50.9172.900000113.4M289 T290 I291 G295M289-A293 WeakPolarHBondContact O-CB 3.5Å; M289-A293 PolarHBondContact O-N 2.87Å; M289-A293 VanDerWaalsContact O-N 3.14Å; T290-A293 WeakPolarHBondContact O-CB 3.24Å; T290-A293 PolarHBondContact O-N 2.89Å; I291-A293 PolarHBondContact O-N 3.01Å; A293-G295 VanDerWaalsContact C-N 3.32Å
294G95.3Very high96.4Very high44 Ų4423.5 Ų23.545%0.45414%0.136SC..THydrogen-bonded Turntrans7912.2-178.400000114.2T290 I291 R292T290-G294 PolarHBondContact O-N 3.01Å; I291-G294 WeakPolarHBondContact O-CA 3.43Å; I291-G294 PolarHBondContact O-N 3.08Å; R292-G294 PolarHBondContact O-N 3.12Å
295G97Very high96.2Very high0 Ų023.4 Ų23.40%014%0.136CC..  trans-88.9168.5177.800000113.8T290 A293 P392 L419T290-G295 PolarHBondContact O-N 3.2Å; A293-G295 VanDerWaalsContact C-N 3.32Å; G295-P392 VanDerWaalsContact O-CB 3.22Å; G295-P392 WeakPolarHBondContact O-CB 3.36Å; G295-L419 VanDerWaalsContact CA-O 3.29Å; G295-L419 WeakPolarHBondContact CA-O 3.31Å
296N98.1Very high96.1Very high3 Ų321.5 Ų21.52%0.01612%0.122CC..  trans-99.8149.8172.8-54.2-74.5000111.4Q391 P392 C393 W414 N420 T421N296-Q391 VanDerWaalsContact ND2-CD 3.31Å; N296-Q391 PolarHBondContact ND2-OE1 3.03Å; N296-Q391 WeakPolarHBondContact OD1-CB 3.31Å; N296-Q391 WeakPolarHBondContact OD1-CG 3.45Å; N296-P392 WeakPolarHBondContact OD1-CA 3.42Å; N296-C393 WeakPolarHBondContact CA-O 3.05Å; N296-C393 PolarHBondContact OD1-N 2.61Å; N296-C393 VanDerWaalsContact OD1-N 3.15Å; N296-C393 PolarHBondContact OD1-SG 2.95Å; N296-W414 HydrophobicContact CB-CD2 4.04Å; N296-W414 HydrophobicContact CB-CE3 3.93Å; N296-W414 HydrophobicContact CB-CH2 3.64Å; N296-W414 HydrophobicContact CB-CZ2 3.74Å; N296-W414 HydrophobicContact CB-CZ3 3.74Å; N296-N420 WeakPolarHBondContact CB-OD1 3.41Å; N296-N420 PolarHBondContact N-OD1 3.28Å; N296-N420 PolarHBondContact ND2-OD1 3.25Å; N296-N420 VanDerWaalsContact O-CA 3.31Å; N296-N420 WeakPolarHBondContact O-CA 3.25Å; N296-T421 PolarHBondContact O-N 3.05Å
297V98.4Very high96Very high0 Ų020.5 Ų20.50%012%0.116CC..EExtended strand (participates in β ladder)trans-112.5124.4176.4179.60000109.6L287 T290 I291 V299 C393 V394 V395 T421 I423L287-V297 HydrophobicContact CD1-CG1 4.35Å; L287-V297 HydrophobicContact CG-CG1 4.3Å; L287-V297 HydrophobicContact CG-CG2 4.21Å; T290-V297 HydrophobicContact CG2-CG2 3.63Å; I291-V297 HydrophobicContact CD1-CG2 3.97Å; I291-V297 HydrophobicContact CG1-CG2 4.16Å; V297-V299 HydrophobicContact CG1-CG2 4.01Å; V297-C393 PolarHBondContact N-O 3.39Å; V297-V394 HydrophobicContact CB-CG1 4.29Å; V297-V394 HydrophobicContact CB-CG2 4.22Å; V297-V394 HydrophobicContact CG1-CG1 4.31Å; V297-V394 WeakPolarHBondContact O-CA 3.2Å; V297-V395 PolarHBondContact O-N 3.01Å; V297-T421 WeakPolarHBondContact CA-O 3.48Å; V297-I423 HydrophobicContact CG1-CD1 3.67Å; V297-I423 HydrophobicContact CG1-CG1 4.05Å
298L98.6Very high95.9Very high0 Ų020.5 Ų20.50%012%0.116CC..EExtended strand (participates in β ladder)trans-106125.9173.4-174.361.2000109.6P300 V395 T397 V407 F410 M411 W414 T421 V422 I423 M443L298-P300 WeakPolarHBondContact O-CD 3.14Å; L298-V395 HydrophobicContact CD1-CB 4.24Å; L298-V395 HydrophobicContact CD1-CG1 4.21Å; L298-T397 HydrophobicContact CD1-CG2 3.82Å; L298-V407 HydrophobicContact CD1-CG2 4.27Å; L298-V407 HydrophobicContact CD2-CG2 3.89Å; L298-V407 HydrophobicContact CG-CG2 4.21Å; L298-F410 HydrophobicContact CD1-CB 3.73Å; L298-F410 HydrophobicContact CD1-CD2 4.19Å; L298-F410 HydrophobicContact CD1-CG 4.08Å; L298-F410 HydrophobicContact CD2-CB 3.73Å; L298-F410 HydrophobicContact CG-CB 4.37Å; L298-M411 HydrophobicContact CD2-CG 4.04Å; L298-M411 HydrophobicContact CD2-SD 3.73Å; L298-W414 HydrophobicContact CB-CE3 3.88Å; L298-W414 HydrophobicContact CB-CZ3 3.76Å; L298-W414 HydrophobicContact CD1-CZ3 4.14Å; L298-W414 HydrophobicContact CG-CZ3 4.47Å; L298-T421 PolarHBondContact N-O 3.5Å; L298-V422 HydrophobicContact CB-CB 4.47Å; L298-V422 HydrophobicContact CB-CG2 4.43Å; L298-V422 HydrophobicContact CD2-CG2 4.46Å; L298-V422 CarbonylContact O-C 3.49Å; L298-V422 WeakPolarHBondContact O-CA 3.48Å; L298-I423 PolarHBondContact O-N 3.17Å; L298-M443 HydrophobicContact CB-CE 3.84Å; L298-M443 HydrophobicContact CD2-CE 4.41Å
299V98.5Very high95.8Very high0 Ų021.5 Ų21.50%012%0.121CC..EExtended strand (participates in β ladder)trans-117.996.3177.7-171.50000108.9F283 V297 C301 V394 V395 F396 T397 T425F283-V299 HydrophobicContact CE2-CG1 4.15Å; F283-V299 HydrophobicContact CE2-CG2 3.84Å; F283-V299 HydrophobicContact CZ-CG2 4.22Å; V297-V299 HydrophobicContact CG1-CG2 4.01Å; V299-C301 HydrophobicContact CG1-CB 4.4Å; V299-C301 PolarHBondContact O-N 3.3Å; V299-V394 HydrophobicContact CG2-CG1 4.34Å; V299-V395 PolarHBondContact N-O 2.74Å; V299-F396 HydrophobicContact CB-CD1 3.63Å; V299-F396 HydrophobicContact CB-CE1 3.89Å; V299-F396 HydrophobicContact CB-CG 4.47Å; V299-F396 HydrophobicContact CG1-CD1 3.8Å; V299-F396 HydrophobicContact CG1-CE1 3.95Å; V299-F396 HydrophobicContact CG2-CD1 4.08Å; V299-F396 HydrophobicContact CG2-CE1 3.85Å; V299-T397 PolarHBondContact O-N 3.05Å; V299-T425 HydrophobicContact CG1-CG2 4.08Å
300P97.8Very high95.7Very high1 Ų117 Ų171%0.00610%0.099CC..EExtended strand (participates in β ladder)trans-68.8106.7171.227.4-35.6000110.7L298 T397 L402 V407 V422 I423 F424L298-P300 WeakPolarHBondContact O-CD 3.14Å; P300-T397 WeakPolarHBondContact CA-O 3.21Å; P300-L402 HydrophobicContact CB-CD2 3.76Å; P300-L402 HydrophobicContact CG-CD2 4.28Å; P300-V407 HydrophobicContact CB-CG2 4.04Å; P300-V422 HydrophobicContact CG-CG2 3.99Å; P300-I423 WeakPolarHBondContact CD-O 3.49Å; P300-F424 HydrophobicContact CG-CD1 3.68Å; P300-F424 HydrophobicContact CG-CE1 3.84Å; P300-F424 HydrophobicContact CG-CG 4.09Å; P300-F424 HydrophobicContact CG-CZ 4.38Å
301C96.6Very high95.6Very high1 Ų116.7 Ų16.71%0.00710%0.097CC..  trans-140.7164.7-176.264.20000112V299 T397 G398V299-C301 HydrophobicContact CG1-CB 4.4Å; V299-C301 PolarHBondContact O-N 3.3Å; C301-T397 PolarHBondContact N-O 3.33Å; C301-G398 WeakPolarHBondContact O-CA 3.22Å
302Y96.6Very high95.4Very high15 Ų1518.2 Ų18.26%0.05910%0.104CC..  trans-71.7161.8169.9-63.9-67.7000111.6H107 S304 H399 P400 E426 D428 F429H107-Y302 AromaticContact CE1-CD2 3.95Å; H107-Y302 AromaticContact CE1-CE2 3.83Å; Y302-S304 VanDerWaalsContact C-N 3.27Å; Y302-S304 PolarHBondContact O-N 3.37Å; Y302-H399 AromaticContact CD1-NE2 3.98Å; Y302-H399 AromaticContact CE1-CE1 3.97Å; Y302-H399 AromaticContact CE1-NE2 3.4Å; Y302-H399 WeakPolarHBondContact CE1-NE2 3.28Å; Y302-P400 HydrophobicContact CD1-CG 4Å; Y302-P400 HydrophobicContact CD2-CG 4.15Å; Y302-P400 HydrophobicContact CE1-CG 3.95Å; Y302-P400 HydrophobicContact CE2-CG 4.1Å; Y302-P400 HydrophobicContact CG-CG 4.11Å; Y302-E426 HydrophobicContact CD2-CG 3.81Å; Y302-E426 HydrophobicContact CE2-CB 4.28Å; Y302-E426 HydrophobicContact CE2-CG 3.87Å; Y302-D428 VanDerWaalsContact CE2-OD2 3.3Å; Y302-D428 WeakPolarHBondContact CE2-OD2 3.19Å; Y302-D428 PolarHBondContact OH-OD2 3.4Å; Y302-F429 WeakPolarHBondContact OH-CE2 3.39Å
303S94.1Very high95.3Very high1 Ų112.1 Ų12.11%0.0079%0.086CC..SBendtrans-72.2-17.4-179.963.50000114.1F330 S338S303-F330 WeakPolarHBondContact O-CZ 3.47Å; S303-S338 WeakPolarHBondContact O-CB 3.32Å; S303-S338 PolarHBondContact O-OG 3.24Å
304S94.1Very high95.2Very high2 Ų29.1 Ų9.11%0.0146%0.061CC..SBendtrans-145.9157.9-177.5-54.40000110.2Y302 Y308 S338Y302-S304 VanDerWaalsContact C-N 3.27Å; Y302-S304 PolarHBondContact O-N 3.37Å; S304-Y308 PolarHBondContact OG-OH 2.93Å; S304-S338 WeakPolarHBondContact OG-CB 3.35Å; S304-S338 PolarHBondContact OG-OG 3.25Å
305G91.8Very high95Very high4 Ų410.8 Ų10.84%0.0415%0.054CC..SBendtrans104.1-119.9178.800000112.8Y106 I307 Y308Y106-G305 VanDerWaalsContact OH-CA 3.22Å; Y106-G305 WeakPolarHBondContact OH-CA 3.25Å; G305-I307 PolarHBondContact O-N 3.38Å; G305-Y308 WeakPolarHBondContact O-CB 3.23Å; G305-Y308 VanDerWaalsContact O-CD2 3.27Å; G305-Y308 WeakPolarHBondContact O-CD2 3.37Å; G305-Y308 PolarHBondContact O-N 2.92Å
306V92.1Very high94.7Very high17 Ų1717.5 Ų17.510%0.1039%0.085CC..Hα-helixtrans-54.5-28.5-175.6174.20000112.6Y308 D309 L310 I450V306-Y308 PolarHBondContact O-N 3.4Å; V306-D309 PolarHBondContact O-N 2.85Å; V306-D309 VanDerWaalsContact O-N 3.09Å; V306-L310 HydrophobicContact CG1-CD1 4.25Å; V306-L310 HydrophobicContact CG1-CG 4.17Å; V306-L310 PolarHBondContact O-N 3.38Å; V306-I450 HydrophobicContact CG1-CB 3.93Å; V306-I450 HydrophobicContact CG1-CD1 4.22Å; V306-I450 HydrophobicContact CG1-CG2 3.77Å
307I95.3Very high94.3Very high1 Ų119.8 Ų19.81%0.00510%0.095CC..Hα-helixtrans-55.5-32.3175.3-170.5162.5000113.3G305 L310 L311 F330 F396G305-I307 PolarHBondContact O-N 3.38Å; I307-L310 PolarHBondContact O-N 2.98Å; I307-L311 HydrophobicContact CG1-CD1 4.1Å; I307-L311 HydrophobicContact CG1-CG 4.22Å; I307-L311 WeakPolarHBondContact O-CB 3.49Å; I307-L311 VanDerWaalsContact O-CG 3.24Å; I307-L311 WeakPolarHBondContact O-CG 3.49Å; I307-L311 PolarHBondContact O-N 2.78Å; I307-F330 HydrophobicContact CD1-CD1 4.28Å; I307-F330 HydrophobicContact CD1-CD2 3.75Å; I307-F330 HydrophobicContact CD1-CE1 4.04Å; I307-F330 HydrophobicContact CD1-CE2 3.5Å; I307-F330 VanDerWaalsContact CD1-CE2 3.5Å; I307-F330 HydrophobicContact CD1-CG 4.17Å; I307-F330 HydrophobicContact CD1-CZ 3.67Å; I307-F396 HydrophobicContact CD1-CB 4.03Å; I307-F396 HydrophobicContact CD1-CD1 4.43Å; I307-F396 HydrophobicContact CD1-CG 4.3Å
308Y94.8Very high93.8Very high1 Ų119.9 Ų19.90%0.00410%0.096CC..Hα-helixtrans-66.1-42.5177.7-54.6-40.8000111.6S304 G305 V306 L311 E312 S338 F364S304-Y308 PolarHBondContact OG-OH 2.93Å; G305-Y308 WeakPolarHBondContact O-CB 3.23Å; G305-Y308 VanDerWaalsContact O-CD2 3.27Å; G305-Y308 WeakPolarHBondContact O-CD2 3.37Å; G305-Y308 PolarHBondContact O-N 2.92Å; V306-Y308 PolarHBondContact O-N 3.4Å; Y308-L311 PolarHBondContact O-N 2.96Å; Y308-E312 WeakPolarHBondContact O-CB 3.21Å; Y308-E312 PolarHBondContact O-N 3.01Å; Y308-S338 PolarHBondContact OH-O 3.33Å; Y308-S338 PolarHBondContact OH-OG 2.92Å; Y308-F364 HydrophobicContact CG-CE1 4.42Å
309D92.7Very high93.3Very high23 Ų2325.1 Ų25.112%0.12312%0.124CC..Hα-helixtrans-69.9-37.3177.8-57.2-52.6000110.9H248 V306 E312 C313H248-D309 IonicContact CE1-OD1 3.25Å; H248-D309 IonicContact CE1-OD2 3.11Å; H248-D309 PolarHBondContact CE1-OD2 3.18Å; H248-D309 IonicContact CG-OD1 2.92Å; H248-D309 IonicContact ND1-OD1 2.64Å; H248-D309 PolarHBondContact ND1-OD1 2.65Å; H248-D309 IonicContact ND1-OD2 3.79Å; H248-D309 PolarHBondContact ND1-OD2 2.63Å; V306-D309 PolarHBondContact O-N 2.85Å; V306-D309 VanDerWaalsContact O-N 3.09Å; D309-E312 PolarHBondContact O-N 3.11Å; D309-C313 WeakPolarHBondContact O-CB 3.48Å; D309-C313 PolarHBondContact O-N 3.06Å
310L94.4Very high92.8Very high0 Ų029.2 Ų29.20%015%0.152CC..Hα-helixtrans-59.4-48.7172.5-73.7174.9000112L280 F283 V306 I307 E312 C313 L314 T425 I450L280-L310 HydrophobicContact CD2-CD2 3.74Å; F283-L310 HydrophobicContact CD1-CD2 3.92Å; F283-L310 HydrophobicContact CD2-CD2 4.37Å; F283-L310 HydrophobicContact CE1-CD2 3.81Å; F283-L310 HydrophobicContact CE2-CD2 4.29Å; F283-L310 HydrophobicContact CG-CD2 4.22Å; F283-L310 HydrophobicContact CZ-CD2 4.02Å; V306-L310 HydrophobicContact CG1-CD1 4.25Å; V306-L310 HydrophobicContact CG1-CG 4.17Å; V306-L310 PolarHBondContact O-N 3.38Å; I307-L310 PolarHBondContact O-N 2.98Å; L310-E312 VanDerWaalsContact C-N 3.31Å; L310-E312 PolarHBondContact O-N 3.23Å; L310-C313 PolarHBondContact O-N 3.36Å; L310-L314 WeakPolarHBondContact O-CB 3.3Å; L310-L314 VanDerWaalsContact O-CG 3.27Å; L310-L314 WeakPolarHBondContact O-CG 3.06Å; L310-L314 PolarHBondContact O-N 3.41Å; L310-T425 HydrophobicContact CD1-CG2 4.01Å; L310-T425 HydrophobicContact CD2-CG2 4.31Å; L310-I450 HydrophobicContact CD2-CD1 3.41Å; L310-I450 VanDerWaalsContact CD2-CD1 3.41Å; L310-I450 HydrophobicContact CG-CD1 4.2Å
311L95.2Very high92.3Very high2 Ų229.3 Ų29.31%0.0115%0.153CC..Hα-helixtrans-65.3-36179.4-69.9173.5000111.8I307 Y308 L314 Y315 L339 H366 L375 F396I307-L311 HydrophobicContact CG1-CD1 4.1Å; I307-L311 HydrophobicContact CG1-CG 4.22Å; I307-L311 WeakPolarHBondContact O-CB 3.49Å; I307-L311 VanDerWaalsContact O-CG 3.24Å; I307-L311 WeakPolarHBondContact O-CG 3.49Å; I307-L311 PolarHBondContact O-N 2.78Å; Y308-L311 PolarHBondContact O-N 2.96Å; L311-L314 PolarHBondContact O-N 2.77Å; L311-Y315 WeakPolarHBondContact O-CB 3.25Å; L311-Y315 PolarHBondContact O-N 3.05Å; L311-L339 HydrophobicContact CD1-CD2 4.13Å; L311-H366 HydrophobicContact CB-CB 4.19Å; L311-H366 HydrophobicContact CD1-CB 3.97Å; L311-L375 HydrophobicContact CD1-CD2 4Å; L311-L375 HydrophobicContact CD2-CD1 4.19Å; L311-L375 HydrophobicContact CD2-CD2 4Å; L311-F396 HydrophobicContact CD2-CE2 4.15Å; L311-F396 HydrophobicContact CD2-CZ 4.49Å
312E92.9Very high91.8Very high42 Ų4236 Ų3620%0.19619%0.189CC..Hα-helixtrans-68-42.6175.8-177.3154.9-169.900112.3Y308 D309 L310 Y315 Q316 K353 P365Y308-E312 WeakPolarHBondContact O-CB 3.21Å; Y308-E312 PolarHBondContact O-N 3.01Å; D309-E312 PolarHBondContact O-N 3.11Å; L310-E312 VanDerWaalsContact C-N 3.31Å; L310-E312 PolarHBondContact O-N 3.23Å; E312-Y315 PolarHBondContact O-N 3.11Å; E312-Q316 PolarHBondContact O-N 2.99Å; E312-K353 IonicContact OE1-NZ 3.01Å; E312-K353 PolarHBondContact OE1-NZ 2.8Å; E312-K353 WeakPolarHBondContact OE2-CE 3.3Å; E312-K353 IonicContact OE2-NZ 2.64Å; E312-K353 PolarHBondContact OE2-NZ 3.15Å; E312-P365 HydrophobicContact CB-CG 4Å; E312-P365 HydrophobicContact CG-CG 3.92Å
313C92.6Very high91.4Very high33 Ų3335.4 Ų35.422%0.22319%0.187CC..Hα-helixtrans-62.6-44.3173.3-173.10000111.4L280 C284 D309 L310 Y315 Q316 F317L280-C313 HydrophobicContact CD2-CB 4.36Å; C284-C313 VanDerWaalsContact SG-SG 3.63Å; D309-C313 WeakPolarHBondContact O-CB 3.48Å; D309-C313 PolarHBondContact O-N 3.06Å; L310-C313 PolarHBondContact O-N 3.36Å; C313-Y315 PolarHBondContact O-N 3.25Å; C313-Q316 PolarHBondContact O-N 3.35Å; C313-F317 WeakPolarHBondContact O-CB 3.22Å; C313-F317 PolarHBondContact O-N 3.33Å; C313-F317 VanDerWaalsContact O-N 3.1Å
314L92.6Very high90.8Very high1 Ų137.3 Ų37.31%0.00521%0.206CC..Hα-helixtrans-65-40178.6-75.2171.3000112.7F283 L287 L310 L311 Q316 F317 I318 F328 F396F283-L314 HydrophobicContact CE1-CD1 3.93Å; F283-L314 HydrophobicContact CE1-CD2 3.92Å; F283-L314 HydrophobicContact CE1-CG 3.98Å; F283-L314 HydrophobicContact CZ-CD1 4.23Å; L287-L314 HydrophobicContact CD1-CD1 4.48Å; L287-L314 HydrophobicContact CD1-CD2 3.95Å; L287-L314 HydrophobicContact CD2-CD2 4.49Å; L310-L314 WeakPolarHBondContact O-CB 3.3Å; L310-L314 VanDerWaalsContact O-CG 3.27Å; L310-L314 WeakPolarHBondContact O-CG 3.06Å; L310-L314 PolarHBondContact O-N 3.41Å; L311-L314 PolarHBondContact O-N 2.77Å; L314-Q316 PolarHBondContact O-N 2.92Å; L314-F317 PolarHBondContact O-N 3.05Å; L314-I318 WeakPolarHBondContact O-CD1 3.37Å; L314-I318 WeakPolarHBondContact O-CG1 3.46Å; L314-I318 PolarHBondContact O-N 2.81Å; L314-F328 HydrophobicContact CD1-CD1 4.45Å; L314-F328 HydrophobicContact CD1-CE1 4.09Å; L314-F328 HydrophobicContact CD2-CE1 4.45Å; L314-F396 HydrophobicContact CD1-CE1 4.42Å; L314-F396 HydrophobicContact CD1-CE2 4.31Å; L314-F396 HydrophobicContact CD1-CZ 3.53Å
315Y91.9Very high90.4Very high80 Ų8043.7 Ų43.731%0.31425%0.245SC..Hα-helixtrans-53.3-44.5176176.4-93.2000111.7L311 E312 C313 P365 E368 L369L311-Y315 WeakPolarHBondContact O-CB 3.25Å; L311-Y315 PolarHBondContact O-N 3.05Å; E312-Y315 PolarHBondContact O-N 3.11Å; C313-Y315 PolarHBondContact O-N 3.25Å; Y315-P365 HydrophobicContact CD1-CB 3.7Å; Y315-P365 HydrophobicContact CD1-CG 4.27Å; Y315-P365 HydrophobicContact CD2-CB 3.84Å; Y315-P365 HydrophobicContact CE1-CB 4.03Å; Y315-P365 HydrophobicContact CE2-CB 4.12Å; Y315-P365 HydrophobicContact CG-CB 3.6Å; Y315-P365 HydrophobicContact CG-CG 4.13Å; Y315-E368 HydrophobicContact CE2-CB 4.26Å; Y315-E368 HydrophobicContact CE2-CG 4.47Å; Y315-E368 WeakPolarHBondContact CE2-OE2 3.4Å; Y315-E368 PolarHBondContact OH-OE2 2.86Å; Y315-L369 HydrophobicContact CD2-CD1 4.33Å; Y315-L369 HydrophobicContact CD2-CD2 3.69Å; Y315-L369 HydrophobicContact CD2-CG 3.79Å; Y315-L369 HydrophobicContact CE2-CD2 4.39Å
316Q89.8Confident90.4Very high141 Ų14144 Ų4466%0.65925%0.247SC*.Hα-helixtrans-71.4-31.6177.8-61.9174.28.600112.6E312 C313 L314E312-Q316 PolarHBondContact O-N 2.99Å; C313-Q316 PolarHBondContact O-N 3.35Å; L314-Q316 PolarHBondContact O-N 2.92Å
317F90Very high90.5Very high50 Ų5044.2 Ų44.222%0.21925%0.248CC..Hα-helixtrans-84.7-31.4-173.5-176.8-111.4000114.1C284 A288 C313 L314 D319 S320 A321 L323C284-F317 HydrophobicContact CB-CD1 3.76Å; C284-F317 HydrophobicContact CB-CD2 4.23Å; C284-F317 HydrophobicContact CB-CE1 3.7Å; C284-F317 HydrophobicContact CB-CE2 4.2Å; C284-F317 HydrophobicContact CB-CG 4.01Å; C284-F317 HydrophobicContact CB-CZ 3.93Å; C284-F317 VanDerWaalsContact O-CE1 3.25Å; C284-F317 WeakPolarHBondContact O-CE1 3.37Å; A288-F317 HydrophobicContact CB-CE1 3.85Å; A288-F317 HydrophobicContact CB-CZ 3.98Å; C313-F317 WeakPolarHBondContact O-CB 3.22Å; C313-F317 PolarHBondContact O-N 3.33Å; C313-F317 VanDerWaalsContact O-N 3.1Å; L314-F317 PolarHBondContact O-N 3.05Å; F317-D319 VanDerWaalsContact C-N 3.33Å; F317-D319 PolarHBondContact O-N 2.77Å; F317-S320 PolarHBondContact O-N 3.35Å; F317-S320 VanDerWaalsContact O-N 3.17Å; F317-S320 PolarHBondContact O-OG 2.82Å; F317-A321 HydrophobicContact CD1-CB 3.88Å; F317-A321 HydrophobicContact CD2-CB 4.45Å; F317-A321 HydrophobicContact CE1-CB 3.5Å; F317-A321 HydrophobicContact CE2-CB 4.11Å; F317-A321 HydrophobicContact CG-CB 4.35Å; F317-A321 HydrophobicContact CZ-CB 3.63Å; F317-A321 WeakPolarHBondContact O-CB 3.26Å; F317-A321 PolarHBondContact O-N 3.26Å; F317-L323 HydrophobicContact CD1-CD1 4.46Å; F317-L323 HydrophobicContact CE1-CD1 4.28Å
318I88.5Confident90.5Very high2 Ų244.4 Ų44.41%0.0125%0.249CC..Hα-helixtrans-51.4-47.7-172.3-79.1157.9000112.7L314 A321 N322 L323 F328 L369L314-I318 WeakPolarHBondContact O-CD1 3.37Å; L314-I318 WeakPolarHBondContact O-CG1 3.46Å; L314-I318 PolarHBondContact O-N 2.81Å; I318-A321 PolarHBondContact O-N 3.21Å; I318-N322 PolarHBondContact O-N 2.7Å; I318-L323 HydrophobicContact CG2-CB 4.34Å; I318-L323 PolarHBondContact O-N 3.01Å; I318-F328 HydrophobicContact CD1-CD2 4.3Å; I318-F328 HydrophobicContact CD1-CE2 3.46Å; I318-F328 VanDerWaalsContact CD1-CE2 3.46Å; I318-F328 HydrophobicContact CD1-CZ 3.69Å; I318-F328 HydrophobicContact CG1-CE2 3.8Å; I318-F328 HydrophobicContact CG1-CZ 3.68Å; I318-L369 HydrophobicContact CD1-CD2 4.11Å
319D86.3Confident90.7Very high111 Ų11144.4 Ų44.459%0.59425%0.249SC*.Hα-helixtrans-71.5-41.7-175.9-66.7-20.8000111.1F317 A321 N322 K374F317-D319 VanDerWaalsContact C-N 3.33Å; F317-D319 PolarHBondContact O-N 2.77Å; D319-A321 PolarHBondContact O-N 3.31Å; D319-N322 PolarHBondContact O-N 2.87Å; D319-K374 IonicContact OD1-NZ 3.8Å
320S88.8Confident90.9Very high86 Ų8643.4 Ų43.460%0.60124%0.243SC*.Hα-helixtrans-63.5-29175.976.30000113.1F317F317-S320 PolarHBondContact O-N 3.35Å; F317-S320 VanDerWaalsContact O-N 3.17Å; F317-S320 PolarHBondContact O-OG 2.82Å
321A87.9Confident91.1Very high2 Ų243.4 Ų43.42%0.01724%0.243CC..THydrogen-bonded Turntrans-93.90.2-175.400000113.6A288 R292 F317 I318 D319 L323A288-A321 HydrophobicContact CB-CB 4.43Å; R292-A321 PolarHBondContact NH2-O 3.03Å; F317-A321 HydrophobicContact CD1-CB 3.88Å; F317-A321 HydrophobicContact CD2-CB 4.45Å; F317-A321 HydrophobicContact CE1-CB 3.5Å; F317-A321 HydrophobicContact CE2-CB 4.11Å; F317-A321 HydrophobicContact CG-CB 4.35Å; F317-A321 HydrophobicContact CZ-CB 3.63Å; F317-A321 WeakPolarHBondContact O-CB 3.26Å; F317-A321 PolarHBondContact O-N 3.26Å; I318-A321 PolarHBondContact O-N 3.21Å; D319-A321 PolarHBondContact O-N 3.31Å; A321-L323 VanDerWaalsContact C-N 3.25Å; A321-L323 HydrophobicContact CB-CD1 3.81Å; A321-L323 HydrophobicContact CB-CG 3.71Å; A321-L323 PolarHBondContact O-N 2.88Å
322N86.3Confident91.1Very high142 Ų14243.3 Ų43.376%0.75924%0.243SC*.THydrogen-bonded Turntrans54.938.4-172-68.1-22.6000112.9I318 D319I318-N322 PolarHBondContact O-N 2.7Å; D319-N322 PolarHBondContact O-N 2.87Å
323L87.3Confident91.3Very high3 Ų343.1 Ų43.12%0.01625%0.246CC..  trans-95.612179.4-59.8178.5000112.9L287 A288 I291 F317 I318 A321 T325 T326L287-L323 HydrophobicContact CD2-CD1 3.71Å; A288-L323 HydrophobicContact CB-CD1 4.31Å; I291-L323 HydrophobicContact CB-CD2 4.07Å; I291-L323 HydrophobicContact CG2-CD2 3.79Å; F317-L323 HydrophobicContact CD1-CD1 4.46Å; F317-L323 HydrophobicContact CE1-CD1 4.28Å; I318-L323 HydrophobicContact CG2-CB 4.34Å; I318-L323 PolarHBondContact O-N 3.01Å; A321-L323 VanDerWaalsContact C-N 3.25Å; A321-L323 HydrophobicContact CB-CD1 3.81Å; A321-L323 HydrophobicContact CB-CG 3.71Å; A321-L323 PolarHBondContact O-N 2.88Å; L323-T325 PolarHBondContact O-N 2.99Å; L323-T326 WeakPolarHBondContact O-CB 3.43Å; L323-T326 PolarHBondContact O-N 3.16Å; L323-T326 PolarHBondContact O-OG1 3.3Å
324G81.4Confident91.5Very high40 Ų4042 Ų4241%0.41224%0.237SC..THydrogen-bonded Turntrans-58.9-21.9-170.700000116
325T86.2Confident91.7Very high136 Ų13642 Ų4283%0.83424%0.237SC*.THydrogen-bonded Turntrans-93.8-7.3176.755.70000113.9L323L323-T325 PolarHBondContact O-N 2.99Å
326T91.6Very high91.9Very high12 Ų1241.2 Ų41.27%0.07424%0.239CC..PPolyproline II helixtrans-82.2122.9-174.6-54.70000109.9I291 L323 F328 V394I291-T326 HydrophobicContact CD1-CG2 3.99Å; I291-T326 HydrophobicContact CG1-CG2 4.26Å; I291-T326 HydrophobicContact CG2-CG2 3.89Å; I291-T326 WeakPolarHBondContact CG2-OG1 3.44Å; L323-T326 WeakPolarHBondContact O-CB 3.43Å; L323-T326 PolarHBondContact O-N 3.16Å; L323-T326 PolarHBondContact O-OG1 3.3Å; T326-F328 WeakPolarHBondContact O-CD2 3.31Å; T326-V394 HydrophobicContact CG2-CG2 4.37Å
327P93.8Very high92.3Very high21 Ų2136.7 Ų36.714%0.13622%0.223CC..PPolyproline II helixtrans-76.1137.5175.630.8-33.4000111.2Y329 R390 P392 C393 V394P327-Y329 HydrophobicContact CB-CE2 3.77Å; P327-Y329 HydrophobicContact CG-CE2 3.77Å; P327-R390 HydrophobicContact CG-CB 4.39Å; P327-P392 WeakPolarHBondContact CD-O 3.36Å; P327-C393 HydrophobicContact CG-CB 3.87Å; P327-V394 PolarHBondContact O-N 3.39Å; P327-V394 VanDerWaalsContact O-N 3.15Å
328F96.4Very high92.6Very high4 Ų434.3 Ų34.32%0.01821%0.212CC..EExtended strand (participates in β ladder)trans-104129.9168.8-61.2-94.3000108.9L314 I318 T326 K374 L375 K376 V394 F396L314-F328 HydrophobicContact CD1-CD1 4.45Å; L314-F328 HydrophobicContact CD1-CE1 4.09Å; L314-F328 HydrophobicContact CD2-CE1 4.45Å; I318-F328 HydrophobicContact CD1-CD2 4.3Å; I318-F328 HydrophobicContact CD1-CE2 3.46Å; I318-F328 VanDerWaalsContact CD1-CE2 3.46Å; I318-F328 HydrophobicContact CD1-CZ 3.69Å; I318-F328 HydrophobicContact CG1-CE2 3.8Å; I318-F328 HydrophobicContact CG1-CZ 3.68Å; T326-F328 WeakPolarHBondContact O-CD2 3.31Å; F328-K374 PolarHBondContact N-O 3.35Å; F328-L375 HydrophobicContact CB-CD1 3.76Å; F328-L375 WeakPolarHBondContact O-CA 3.46Å; F328-K376 PolarHBondContact O-N 3.01Å; F328-V394 CarbonylContact C-O 3.59Å; F328-V394 WeakPolarHBondContact CA-O 3.21Å; F328-V394 HydrophobicContact CD1-CB 3.61Å; F328-V394 HydrophobicContact CD1-CG1 3.97Å; F328-V394 HydrophobicContact CD1-CG2 3.92Å; F328-V394 HydrophobicContact CE1-CB 3.95Å; F328-V394 HydrophobicContact CE1-CG1 4.29Å; F328-V394 HydrophobicContact CE1-CG2 3.73Å; F328-V394 HydrophobicContact CG-CB 4.46Å; F328-F396 HydrophobicContact CD1-CE2 4.01Å
329Y97.8Very high93Very high2 Ų234.4 Ų34.41%0.00821%0.213CC..EExtended strand (participates in β ladder)trans-116.5130.5178.8-62-74.2000110.1P327 K376 Y378 F385 E388 F389 R390 C393 V394 V395 F396P327-Y329 HydrophobicContact CB-CE2 3.77Å; P327-Y329 HydrophobicContact CG-CE2 3.77Å; Y329-K376 CarbonylContact C-O 3.59Å; Y329-K376 VanDerWaalsContact CA-O 3.26Å; Y329-K376 WeakPolarHBondContact CA-O 3.48Å; Y329-K376 HydrophobicContact CD1-CB 4.08Å; Y329-K376 HydrophobicContact CE1-CB 4.33Å; Y329-K376 HydrophobicContact CE1-CD 4.22Å; Y329-Y378 HydrophobicContact CD1-CD2 4.28Å; Y329-Y378 AromaticContact CD1-CE2 3.76Å; Y329-Y378 HydrophobicContact CD1-CE2 3.76Å; Y329-Y378 HydrophobicContact CE1-CE2 4.04Å; Y329-F385 HydrophobicContact CD1-CD2 4.16Å; Y329-F385 AromaticContact CD1-CE2 3.8Å; Y329-F385 HydrophobicContact CD1-CE2 3.8Å; Y329-F385 HydrophobicContact CD2-CE2 4.28Å; Y329-F385 HydrophobicContact CE1-CD2 4.47Å; Y329-F385 HydrophobicContact CE1-CE2 4.18Å; Y329-F385 AromaticContact CG-CE2 3.84Å; Y329-F385 HydrophobicContact CG-CE2 3.84Å; Y329-E388 PolarHBondContact OH-O 3.09Å; Y329-F389 HydrophobicContact CE2-CD2 4.25Å; Y329-R390 PolarHBondContact OH-N 3.49Å; Y329-R390 VanDerWaalsContact OH-N 3.09Å; Y329-C393 HydrophobicContact CD2-CB 3.85Å; Y329-C393 HydrophobicContact CE2-CB 3.64Å; Y329-V394 PolarHBondContact N-O 3.24Å; Y329-V395 HydrophobicContact CD2-CG2 4.13Å; Y329-V395 CarbonylContact O-C 3.47Å; Y329-V395 WeakPolarHBondContact O-CA 3.48Å; Y329-F396 PolarHBondContact O-N 3.5Å
330F97.9Very high93.4Very high1 Ų133.5 Ų33.50%0.00421%0.205CC..EExtended strand (participates in β ladder)trans-115.1107.8171.8-178.8-153.9000110.1S303 I307 A335 L339 L375 K376 H377 Y378 F396S303-F330 WeakPolarHBondContact O-CZ 3.47Å; I307-F330 HydrophobicContact CD1-CD1 4.28Å; I307-F330 HydrophobicContact CD1-CD2 3.75Å; I307-F330 HydrophobicContact CD1-CE1 4.04Å; I307-F330 HydrophobicContact CD1-CE2 3.5Å; I307-F330 VanDerWaalsContact CD1-CE2 3.5Å; I307-F330 HydrophobicContact CD1-CG 4.17Å; I307-F330 HydrophobicContact CD1-CZ 3.67Å; F330-A335 HydrophobicContact CD1-CB 3.73Å; F330-A335 HydrophobicContact CE1-CB 3.68Å; F330-A335 HydrophobicContact CE2-CB 4.48Å; F330-A335 HydrophobicContact CG-CB 4.16Å; F330-A335 HydrophobicContact CZ-CB 4.05Å; F330-L339 HydrophobicContact CD1-CD1 3.93Å; F330-L339 HydrophobicContact CD1-CD2 4.44Å; F330-L339 HydrophobicContact CD1-CG 4.24Å; F330-L339 HydrophobicContact CE1-CD1 4.32Å; F330-L339 HydrophobicContact CE1-CD2 4.4Å; F330-L339 HydrophobicContact CE1-CG 4.17Å; F330-L375 HydrophobicContact CB-CD1 4.25Å; F330-K376 PolarHBondContact N-O 3.47Å; F330-H377 HydrophobicContact CB-CB 4.24Å; F330-H377 CarbonylContact O-C 3.55Å; F330-H377 WeakPolarHBondContact O-CA 3.29Å; F330-Y378 PolarHBondContact O-N 2.93Å; F330-F396 WeakPolarHBondContact CA-O 3.5Å; F330-F396 HydrophobicContact CD2-CB 3.88Å
331I97.1Very high93.7Very high0 Ų031.4 Ų31.40%019%0.185CC..EExtended strand (participates in β ladder)trans-111.5107.1-171-52174.7000109.6Y378 I381 F385 V395 F396 T397 D406 F410I331-Y378 WeakPolarHBondContact CA-O 3.32Å; I331-I381 HydrophobicContact CD1-CG2 4.12Å; I331-I381 HydrophobicContact CG2-CG2 4.29Å; I331-F385 HydrophobicContact CD1-CD2 4.01Å; I331-F385 HydrophobicContact CD1-CE1 4.14Å; I331-F385 HydrophobicContact CD1-CE2 3.6Å; I331-F385 HydrophobicContact CD1-CG 4.43Å; I331-F385 HydrophobicContact CD1-CZ 3.65Å; I331-F385 HydrophobicContact CG1-CE2 4.41Å; I331-V395 HydrophobicContact CD1-CG1 3.8Å; I331-V395 HydrophobicContact CG1-CG1 4.33Å; I331-F396 PolarHBondContact N-O 3.5Å; I331-T397 WeakPolarHBondContact O-CA 3.18Å; I331-T397 WeakPolarHBondContact O-CB 3.46Å; I331-T397 PolarHBondContact O-OG1 3.45Å; I331-D406 HydrophobicContact CG2-CB 4.17Å; I331-D406 WeakPolarHBondContact CG2-OD2 3.24Å; I331-F410 HydrophobicContact CD1-CE2 3.72Å; I331-F410 HydrophobicContact CD1-CZ 3.68Å
332S97Very high94Very high1 Ų131.3 Ų31.31%0.00718%0.184CC..  trans-162.9141.3176.1160.30000109.1E141 V334 A335 Y378 P379E141-S332 WeakPolarHBondContact OE1-CB 3.41Å; E141-S332 PolarHBondContact OE1-OG 3.11Å; S332-V334 PolarHBondContact O-N 2.94Å; S332-V334 VanDerWaalsContact OG-CG2 3.24Å; S332-V334 WeakPolarHBondContact OG-CG2 3.17Å; S332-V334 PolarHBondContact OG-N 3.14Å; S332-A335 VanDerWaalsContact O-CB 3.28Å; S332-A335 WeakPolarHBondContact O-CB 3.32Å; S332-A335 PolarHBondContact O-N 3.42Å; S332-Y378 PolarHBondContact N-O 2.73Å; S332-P379 CarbonylContact C-O 3.57Å; S332-P379 WeakPolarHBondContact O-CA 3.46Å
333P96.1Very high94.3Very high38 Ų3826.6 Ų26.625%0.24716%0.158CC..THydrogen-bonded Turntrans-58.6-20.8178.125.1-35.2000113E141 N144 F145 P379E141-P333 HydrophobicContact CB-CG 4.28Å; E141-P333 HydrophobicContact CG-CG 3.98Å; N144-P333 HydrophobicContact CB-CG 4.28Å; F145-P333 HydrophobicContact CE1-CG 4.05Å; P333-P379 WeakPolarHBondContact CA-O 3.5Å; P333-P379 VanDerWaalsContact N-O 3.14Å
334V97.3Very high94.7Very high8 Ų831.4 Ų31.45%0.04818%0.183CC..THydrogen-bonded Turntrans-11311.1-178.7-630000112.8L137 E140 E141 S332 N336 S337 S338L137-V334 HydrophobicContact CB-CB 4.04Å; L137-V334 HydrophobicContact CB-CG1 4.23Å; L137-V334 HydrophobicContact CB-CG2 4.09Å; L137-V334 HydrophobicContact CD1-CB 4.36Å; L137-V334 HydrophobicContact CD2-CB 3.98Å; L137-V334 HydrophobicContact CD2-CG1 3.95Å; L137-V334 HydrophobicContact CG-CB 4.33Å; E140-V334 HydrophobicContact CB-CG1 4.34Å; E141-V334 HydrophobicContact CB-CG2 3.96Å; S332-V334 PolarHBondContact O-N 2.94Å; S332-V334 VanDerWaalsContact OG-CG2 3.24Å; S332-V334 WeakPolarHBondContact OG-CG2 3.17Å; S332-V334 PolarHBondContact OG-N 3.14Å; V334-N336 PolarHBondContact O-N 2.86Å; V334-S337 PolarHBondContact O-N 3.05Å; V334-S338 WeakPolarHBondContact O-CB 3.2Å; V334-S338 PolarHBondContact O-N 3.46Å
335A96.4Very high95.3Very high1 Ų130.1 Ų30.11%0.00817%0.165CC..Hα-helixtrans-56.5-47.9-175.600000113F330 S332 S338 L339 H377F330-A335 HydrophobicContact CD1-CB 3.73Å; F330-A335 HydrophobicContact CE1-CB 3.68Å; F330-A335 HydrophobicContact CE2-CB 4.48Å; F330-A335 HydrophobicContact CG-CB 4.16Å; F330-A335 HydrophobicContact CZ-CB 4.05Å; S332-A335 VanDerWaalsContact O-CB 3.28Å; S332-A335 WeakPolarHBondContact O-CB 3.32Å; S332-A335 PolarHBondContact O-N 3.42Å; A335-S338 PolarHBondContact O-N 2.74Å; A335-L339 VanDerWaalsContact O-CG 3.31Å; A335-L339 WeakPolarHBondContact O-CG 3.45Å; A335-L339 PolarHBondContact O-N 2.58Å; A335-L339 VanDerWaalsContact O-N 3.09Å; A335-H377 HydrophobicContact CB-CB 4.07Å
336N96.4Very high95.7Very high65 Ų6524 Ų2435%0.34813%0.129SC..Hα-helixtrans-61.1-52.9-179.4-174.659.8000111.1V334 S338 L339 E340 H377V334-N336 PolarHBondContact O-N 2.86Å; N336-S338 VanDerWaalsContact C-N 3.3Å; N336-S338 PolarHBondContact O-N 3.08Å; N336-L339 PolarHBondContact O-N 3.46Å; N336-L339 VanDerWaalsContact O-N 3.16Å; N336-E340 PolarHBondContact ND2-OE1 2.76Å; N336-E340 PolarHBondContact ND2-OE2 3Å; N336-E340 WeakPolarHBondContact O-CG 3.47Å; N336-E340 PolarHBondContact O-N 3.03Å; N336-E340 PolarHBondContact OD1-OE1 3.33Å; N336-H377 PolarHBondContact OD1-NE2 3.45Å; N336-H377 VanDerWaalsContact OD1-NE2 3.13Å
337S97.3Very high95.8Very high45 Ų4528.7 Ų28.732%0.31515%0.15SC..Hα-helixtrans-60.6-38.3179.8-55.10000112.4V334 E340 F341V334-S337 PolarHBondContact O-N 3.05Å; S337-E340 PolarHBondContact O-N 2.78Å; S337-F341 WeakPolarHBondContact O-CB 2.9Å; S337-F341 VanDerWaalsContact O-CD2 3.31Å; S337-F341 WeakPolarHBondContact O-CD2 3.49Å; S337-F341 VanDerWaalsContact O-CG 3.28Å; S337-F341 WeakPolarHBondContact O-CG 3.41Å; S337-F341 PolarHBondContact O-N 2.69Å
338S96.8Very high95.9Very high0 Ų028.8 Ų28.80%015%0.148CC..Hα-helixtrans-61.7-45.2175.61740000112.3S303 S304 Y308 V334 A335 N336 S342S303-S338 WeakPolarHBondContact O-CB 3.32Å; S303-S338 PolarHBondContact O-OG 3.24Å; S304-S338 WeakPolarHBondContact OG-CB 3.35Å; S304-S338 PolarHBondContact OG-OG 3.25Å; Y308-S338 PolarHBondContact OH-O 3.33Å; Y308-S338 PolarHBondContact OH-OG 2.92Å; V334-S338 WeakPolarHBondContact O-CB 3.2Å; V334-S338 PolarHBondContact O-N 3.46Å; A335-S338 PolarHBondContact O-N 2.74Å; N336-S338 VanDerWaalsContact C-N 3.3Å; N336-S338 PolarHBondContact O-N 3.08Å; S338-S342 PolarHBondContact O-N 2.88Å
339L96.4Very high95.8Very high5 Ų528.6 Ų28.63%0.02615%0.147CC..Hα-helixtrans-67.7-43.6178.2-66.7167000110.8L311 F330 A335 N336 S342 Q343 I370 H377L311-L339 HydrophobicContact CD1-CD2 4.13Å; F330-L339 HydrophobicContact CD1-CD1 3.93Å; F330-L339 HydrophobicContact CD1-CD2 4.44Å; F330-L339 HydrophobicContact CD1-CG 4.24Å; F330-L339 HydrophobicContact CE1-CD1 4.32Å; F330-L339 HydrophobicContact CE1-CD2 4.4Å; F330-L339 HydrophobicContact CE1-CG 4.17Å; A335-L339 VanDerWaalsContact O-CG 3.31Å; A335-L339 WeakPolarHBondContact O-CG 3.45Å; A335-L339 PolarHBondContact O-N 2.58Å; A335-L339 VanDerWaalsContact O-N 3.09Å; N336-L339 PolarHBondContact O-N 3.46Å; N336-L339 VanDerWaalsContact O-N 3.16Å; L339-S342 PolarHBondContact O-N 3.44Å; L339-S342 PolarHBondContact O-OG 3.39Å; L339-Q343 PolarHBondContact O-N 3.02Å; L339-I370 HydrophobicContact CD1-CD1 3.87Å; L339-H377 HydrophobicContact CD1-CB 4.34Å
340E95.5Very high95.7Very high91 Ų9129.3 Ų29.343%0.42515%0.152SC..Hα-helixtrans-61.3-45.8176.5-72.7175.5173.100112.3N336 S337 S342 Q343 I344N336-E340 PolarHBondContact ND2-OE1 2.76Å; N336-E340 PolarHBondContact ND2-OE2 3Å; N336-E340 WeakPolarHBondContact O-CG 3.47Å; N336-E340 PolarHBondContact O-N 3.03Å; N336-E340 PolarHBondContact OD1-OE1 3.33Å; S337-E340 PolarHBondContact O-N 2.78Å; E340-S342 VanDerWaalsContact C-N 3.26Å; E340-S342 PolarHBondContact O-N 2.77Å; E340-Q343 WeakPolarHBondContact O-CA 3.4Å; E340-Q343 WeakPolarHBondContact O-CB 3.48Å; E340-Q343 PolarHBondContact O-N 3.42Å; E340-I344 HydrophobicContact CB-CD1 4.38Å; E340-I344 WeakPolarHBondContact O-CG1 3.27Å; E340-I344 PolarHBondContact O-N 3.15Å
341F95.7Very high95.5Very high43 Ų4335.2 Ų35.219%0.18918%0.179CC..Hα-helixtrans-61.1-34.7177.6-74.7-29.9000113.1Q133 L137 S337 Q343 I344 F345Q133-F341 HydrophobicContact CB-CD2 4.13Å; Q133-F341 HydrophobicContact CB-CE2 3.81Å; Q133-F341 HydrophobicContact CB-CZ 4.07Å; Q133-F341 HydrophobicContact CG-CZ 4.4Å; L137-F341 HydrophobicContact CD1-CD2 3.65Å; L137-F341 HydrophobicContact CD1-CE2 3.83Å; L137-F341 HydrophobicContact CD2-CE2 4.1Å; L137-F341 HydrophobicContact CG-CD2 4.25Å; L137-F341 HydrophobicContact CG-CE2 3.99Å; S337-F341 WeakPolarHBondContact O-CB 2.9Å; S337-F341 VanDerWaalsContact O-CD2 3.31Å; S337-F341 WeakPolarHBondContact O-CD2 3.49Å; S337-F341 VanDerWaalsContact O-CG 3.28Å; S337-F341 WeakPolarHBondContact O-CG 3.41Å; S337-F341 PolarHBondContact O-N 2.69Å; F341-Q343 PolarHBondContact O-N 3.22Å; F341-I344 HydrophobicContact CD1-CD1 4.24Å; F341-I344 PolarHBondContact O-N 3.33Å; F341-F345 HydrophobicContact CB-CD2 3.95Å; F341-F345 HydrophobicContact CB-CE2 3.76Å; F341-F345 AromaticContact CD1-CE2 3.83Å; F341-F345 HydrophobicContact CD1-CE2 3.83Å; F341-F345 HydrophobicContact CD1-CZ 4.13Å; F341-F345 HydrophobicContact CG-CD2 4.48Å; F341-F345 AromaticContact CG-CE2 3.81Å; F341-F345 HydrophobicContact CG-CE2 3.81Å; F341-F345 VanDerWaalsContact O-CD2 3.24Å; F341-F345 WeakPolarHBondContact O-CD2 3.03Å; F341-F345 PolarHBondContact O-N 3.27Å
342S94Very high95.2Very high0 Ų041.2 Ų41.20%021%0.211CC..Hα-helixtrans-62.2-31.2174.179.70000112.4S338 L339 E340 F364 H366S338-S342 PolarHBondContact O-N 2.88Å; L339-S342 PolarHBondContact O-N 3.44Å; L339-S342 PolarHBondContact O-OG 3.39Å; E340-S342 VanDerWaalsContact C-N 3.26Å; E340-S342 PolarHBondContact O-N 2.77Å; S342-F364 WeakPolarHBondContact O-CD2 3.14Å; S342-F364 WeakPolarHBondContact O-CE2 3.2Å; S342-H366 PolarHBondContact OG-CE1 3.26Å; S342-H366 PolarHBondContact OG-NE2 2.86Å
343Q92.9Very high95Very high43 Ų4341.6 Ų41.620%0.20121%0.213CC..Hα-helixtrans-82.7-35.9176.9-54.5-68.2-4.200111.9L339 E340 F341 F364 H366L339-Q343 PolarHBondContact O-N 3.02Å; E340-Q343 WeakPolarHBondContact O-CA 3.4Å; E340-Q343 WeakPolarHBondContact O-CB 3.48Å; E340-Q343 PolarHBondContact O-N 3.42Å; F341-Q343 PolarHBondContact O-N 3.22Å; Q343-F364 PolarHBondContact NE2-O 2.82Å; Q343-H366 PolarHBondContact NE2-NE2 3Å
344I94Very high94.9Very high104 Ų10441.7 Ų41.753%0.53321%0.21SC..Hα-helixtrans-70.8-45.3-177.5-68.7164.5000111.5E340 F341 A346E340-I344 HydrophobicContact CB-CD1 4.38Å; E340-I344 WeakPolarHBondContact O-CG1 3.27Å; E340-I344 PolarHBondContact O-N 3.15Å; F341-I344 HydrophobicContact CD1-CD1 4.24Å; F341-I344 PolarHBondContact O-N 3.33Å; I344-A346 PolarHBondContact O-N 3.47Å
345F95.4Very high94.6Very high12 Ų1243.8 Ų43.85%0.05322%0.223CC..THydrogen-bonded Turntrans-82.141.2-175.8-63-47.7000113.5E129 P130 Q133 L222 F341 E347 W348E129-F345 HydrophobicContact CG-CE1 3.63Å; E129-F345 HydrophobicContact CG-CZ 3.95Å; P130-F345 HydrophobicContact CB-CB 4.48Å; P130-F345 HydrophobicContact CB-CD2 3.8Å; P130-F345 HydrophobicContact CB-CE2 4.21Å; P130-F345 HydrophobicContact CB-CG 4.1Å; P130-F345 HydrophobicContact CG-CB 4.13Å; P130-F345 HydrophobicContact CG-CD1 4.2Å; P130-F345 HydrophobicContact CG-CD2 4.12Å; P130-F345 HydrophobicContact CG-CG 3.9Å; Q133-F345 HydrophobicContact CB-CE2 4.04Å; Q133-F345 HydrophobicContact CB-CZ 4.12Å; Q133-F345 HydrophobicContact CG-CE2 4.26Å; Q133-F345 HydrophobicContact CG-CZ 3.82Å; L222-F345 HydrophobicContact CD2-CB 4.11Å; L222-F345 HydrophobicContact CD2-CD2 4.38Å; L222-F345 HydrophobicContact CG-CB 4.48Å; F341-F345 HydrophobicContact CB-CD2 3.95Å; F341-F345 HydrophobicContact CB-CE2 3.76Å; F341-F345 AromaticContact CD1-CE2 3.83Å; F341-F345 HydrophobicContact CD1-CE2 3.83Å; F341-F345 HydrophobicContact CD1-CZ 4.13Å; F341-F345 HydrophobicContact CG-CD2 4.48Å; F341-F345 AromaticContact CG-CE2 3.81Å; F341-F345 HydrophobicContact CG-CE2 3.81Å; F341-F345 VanDerWaalsContact O-CD2 3.24Å; F341-F345 WeakPolarHBondContact O-CD2 3.03Å; F341-F345 PolarHBondContact O-N 3.27Å; F345-E347 VanDerWaalsContact C-OE2 3.31Å; F345-E347 WeakPolarHBondContact CA-OE2 3.38Å; F345-E347 PolarHBondContact O-N 2.64Å; F345-W348 PolarHBondContact O-N 2.78Å; F345-W348 VanDerWaalsContact O-N 3.1Å
346A93.6Very high94.3Very high8 Ų847 Ų477%0.06624%0.237CC..G310 helixtrans-62.3-28.9-176.100000113.2I344 W348 L349 Q354 V357 P363I344-A346 PolarHBondContact O-N 3.47Å; A346-W348 PolarHBondContact O-N 3.44Å; A346-W348 VanDerWaalsContact O-N 3.17Å; A346-L349 HydrophobicContact CB-CD1 4.25Å; A346-L349 WeakPolarHBondContact O-CB 3.38Å; A346-L349 PolarHBondContact O-N 3.38Å; A346-L349 VanDerWaalsContact O-N 3.08Å; A346-Q354 VanDerWaalsContact O-CG 3.28Å; A346-Q354 WeakPolarHBondContact O-CG 3.31Å; A346-V357 HydrophobicContact CB-CB 4.48Å; A346-V357 HydrophobicContact CB-CG2 3.5Å; A346-V357 VanDerWaalsContact CB-CG2 3.5Å; A346-P363 HydrophobicContact CB-CG 4.32Å
347E93.6Very high94Very high111 Ų11147.1 Ų47.152%0.51924%0.239SC..G310 helixtrans-64.5-16.5177.573.4-79.6-168.800113.6F345 Q354F345-E347 VanDerWaalsContact C-OE2 3.31Å; F345-E347 WeakPolarHBondContact CA-OE2 3.38Å; F345-E347 PolarHBondContact O-N 2.64Å; E347-Q354 PolarHBondContact O-NE2 2.83Å
348W95.9Very high93.5Very high23 Ų2353.6 Ų53.69%0.08726%0.258CS..G310 helixtrans-96.91.1177.5-58.783.5000113.3T128 E129 P130 Y201 L222 Q250 F345 A346T128-W348 HydrophobicContact CG2-CH2 3.86Å; T128-W348 HydrophobicContact CG2-CZ3 3.65Å; E129-W348 HydrophobicContact CB-CZ2 4.48Å; P130-W348 HydrophobicContact CG-CB 4.16Å; P130-W348 HydrophobicContact CG-CD2 3.55Å; P130-W348 HydrophobicContact CG-CE3 4.14Å; P130-W348 HydrophobicContact CG-CG 3.5Å; P130-W348 VanDerWaalsContact CG-CG 3.5Å; P130-W348 HydrophobicContact CG-CZ2 4.44Å; Y201-W348 AromaticContact CD1-CZ3 3.81Å; Y201-W348 HydrophobicContact CD1-CZ3 3.81Å; Y201-W348 AromaticContact CD2-CE3 3.73Å; Y201-W348 HydrophobicContact CD2-CE3 3.73Å; Y201-W348 AromaticContact CD2-CZ3 3.63Å; Y201-W348 HydrophobicContact CD2-CZ3 3.63Å; Y201-W348 HydrophobicContact CE1-CE3 4.07Å; Y201-W348 AromaticContact CE1-CZ3 3.61Å; Y201-W348 HydrophobicContact CE1-CZ3 3.61Å; Y201-W348 HydrophobicContact CE2-CD2 4.32Å; Y201-W348 AromaticContact CE2-CE3 3.2Å; Y201-W348 HydrophobicContact CE2-CE3 3.2Å; Y201-W348 AromaticContact CE2-CZ3 3.47Å; Y201-W348 HydrophobicContact CE2-CZ3 3.47Å; Y201-W348 VanDerWaalsContact CE2-CZ3 3.47Å; Y201-W348 HydrophobicContact CG-CE3 4.37Å; Y201-W348 AromaticContact CG-CZ3 3.8Å; Y201-W348 HydrophobicContact CG-CZ3 3.8Å; Y201-W348 AromaticContact CZ-CE3 3.38Å; Y201-W348 AromaticContact CZ-CZ3 3.43Å; Y201-W348 VanDerWaalsContact CZ-CZ3 3.43Å; L222-W348 HydrophobicContact CD1-CB 3.73Å; Q250-W348 WeakPolarHBondContact CB-O 3.1Å; Q250-W348 PolarHBondContact N-O 3.41Å; F345-W348 PolarHBondContact O-N 2.78Å; F345-W348 VanDerWaalsContact O-N 3.1Å; A346-W348 PolarHBondContact O-N 3.44Å; A346-W348 VanDerWaalsContact O-N 3.17Å
349L95.4Very high93.1Very high0 Ų059.1 Ų59.10%029%0.287CS..BIsolated β-bridgetrans-89173.4-178.8-59.5175.9000112.5L222 H248 A346 K353 Q354 P363 F364L222-L349 HydrophobicContact CD1-CD2 3.55Å; L222-L349 HydrophobicContact CD1-CG 4.32Å; H248-L349 HydrophobicContact CB-CD2 4.35Å; H248-L349 CarbonylContact O-C 3.53Å; H248-L349 VanDerWaalsContact O-CA 3.29Å; H248-L349 WeakPolarHBondContact O-CA 3.29Å; H248-L349 WeakPolarHBondContact O-CB 3.4Å; H248-L349 WeakPolarHBondContact O-CD2 3.34Å; A346-L349 HydrophobicContact CB-CD1 4.25Å; A346-L349 WeakPolarHBondContact O-CB 3.38Å; A346-L349 PolarHBondContact O-N 3.38Å; A346-L349 VanDerWaalsContact O-N 3.08Å; L349-K353 HydrophobicContact CB-CB 3.9Å; L349-K353 HydrophobicContact CB-CD 4.46Å; L349-K353 HydrophobicContact CD1-CB 3.88Å; L349-K353 HydrophobicContact CD1-CD 4.11Å; L349-Q354 PolarHBondContact O-NE2 2.71Å; L349-P363 HydrophobicContact CD1-CB 3.63Å; L349-P363 HydrophobicContact CD1-CG 4.06Å; L349-F364 HydrophobicContact CD1-CD2 4.34Å; L349-F364 HydrophobicContact CD1-CE2 3.6Å; L349-F364 HydrophobicContact CD1-CZ 4.26Å; L349-F364 HydrophobicContact CD2-CE2 3.73Å; L349-F364 HydrophobicContact CD2-CZ 3.66Å; L349-F364 HydrophobicContact CG-CE2 4.34Å
350C94.6Very high92.6Very high17 Ų1764.7 Ų64.712%0.11532%0.324CS..  trans-65155.6171.369.10000111.8T247 H248 P249 N352 K353 Q354T247-C350 PolarHBondContact O-SG 2.69Å; H248-C350 PolarHBondContact O-N 3.41Å; P249-C350 WeakPolarHBondContact O-CB 3Å; P249-C350 PolarHBondContact O-N 2.94Å; C350-N352 PolarHBondContact O-N 2.88Å; C350-N352 VanDerWaalsContact O-N 3.13Å; C350-K353 PolarHBondContact O-N 2.75Å; C350-Q354 PolarHBondContact O-N 3.32Å
351H93.2Very high92.4Very high125 Ų12565.2 Ų65.258%0.57933%0.326SS*.Hα-helixtrans-54.2-38.5-175.3-172.762.7000113.1K353 Q354 T355H351-K353 VanDerWaalsContact C-N 3.27Å; H351-K353 PolarHBondContact O-N 3.33Å; H351-Q354 PolarHBondContact O-N 3.09Å; H351-T355 WeakPolarHBondContact O-CG2 3.49Å; H351-T355 PolarHBondContact O-N 3.38Å; H351-T355 PolarHBondContact O-OG1 3.49Å
352N91.9Very high92.2Very high125 Ų12566 Ų6667%0.66834%0.335SS*.Hα-helixtrans-63-29.4178.5-67.2-9.8000113.8C350 T355C350-N352 PolarHBondContact O-N 2.88Å; C350-N352 VanDerWaalsContact O-N 3.13Å; N352-T355 PolarHBondContact O-OG1 3.23Å
353K92.8Very high92.1Very high10 Ų1066.2 Ų66.24%0.04334%0.337CS..Hα-helixtrans-87.4-36.1176.1-72.3-175.8-178.8-72.20111.2H248 E312 L349 C350 H351 T355 K356 P363 F364H248-K353 HydrophobicContact CB-CD 3.97Å; E312-K353 IonicContact OE1-NZ 3.01Å; E312-K353 PolarHBondContact OE1-NZ 2.8Å; E312-K353 WeakPolarHBondContact OE2-CE 3.3Å; E312-K353 IonicContact OE2-NZ 2.64Å; E312-K353 PolarHBondContact OE2-NZ 3.15Å; L349-K353 HydrophobicContact CB-CB 3.9Å; L349-K353 HydrophobicContact CB-CD 4.46Å; L349-K353 HydrophobicContact CD1-CB 3.88Å; L349-K353 HydrophobicContact CD1-CD 4.11Å; C350-K353 PolarHBondContact O-N 2.75Å; H351-K353 VanDerWaalsContact C-N 3.27Å; H351-K353 PolarHBondContact O-N 3.33Å; K353-T355 VanDerWaalsContact C-N 3.26Å; K353-T355 PolarHBondContact O-N 3.09Å; K353-K356 WeakPolarHBondContact O-CB 3.34Å; K353-K356 PolarHBondContact O-N 3.14Å; K353-P363 HydrophobicContact CB-CB 4.03Å; K353-P363 PolarHBondContact NZ-O 3.07Å; K353-P363 VanDerWaalsContact NZ-O 3.08Å; K353-F364 HydrophobicContact CD-CE1 4.33Å; K353-F364 HydrophobicContact CD-CZ 4.27Å
354Q92.8Very high92.2Very high40 Ų4064.2 Ų64.219%0.18733%0.328CS..Hα-helixtrans-56.9-41.5172.7-69.4178.95.600111.7A346 E347 L349 C350 H351 K356 V357A346-Q354 VanDerWaalsContact O-CG 3.28Å; A346-Q354 WeakPolarHBondContact O-CG 3.31Å; E347-Q354 PolarHBondContact O-NE2 2.83Å; L349-Q354 PolarHBondContact O-NE2 2.71Å; C350-Q354 PolarHBondContact O-N 3.32Å; H351-Q354 PolarHBondContact O-N 3.09Å; Q354-K356 VanDerWaalsContact C-N 3.28Å; Q354-K356 PolarHBondContact O-N 2.91Å; Q354-V357 PolarHBondContact O-N 3.16Å
355T92.1Very high92.2Very high51 Ų5160.1 Ų60.131%0.31331%0.308SS..Hα-helixtrans-64.5-30.4-178.950.40000113.8H351 N352 K353 V357 Y358H351-T355 WeakPolarHBondContact O-CG2 3.49Å; H351-T355 PolarHBondContact O-N 3.38Å; H351-T355 PolarHBondContact O-OG1 3.49Å; N352-T355 PolarHBondContact O-OG1 3.23Å; K353-T355 VanDerWaalsContact C-N 3.26Å; K353-T355 PolarHBondContact O-N 3.09Å; T355-V357 VanDerWaalsContact C-N 3.26Å; T355-V357 PolarHBondContact O-N 3.38Å; T355-Y358 PolarHBondContact O-N 3.49Å
356K90.2Very high92.1Very high70 Ų7059.7 Ų59.730%0.30431%0.306SS..Hα-helixtrans-62.1-35.3175.6-65.9-172.7175.6-171.70112.3K353 Q354 Y358 L359 E361K353-K356 WeakPolarHBondContact O-CB 3.34Å; K353-K356 PolarHBondContact O-N 3.14Å; Q354-K356 VanDerWaalsContact C-N 3.28Å; Q354-K356 PolarHBondContact O-N 2.91Å; K356-Y358 VanDerWaalsContact C-N 3.26Å; K356-Y358 PolarHBondContact O-N 2.65Å; K356-L359 CarbonylContact O-C 3.05Å; K356-L359 WeakPolarHBondContact O-CA 3.46Å; K356-L359 PolarHBondContact O-N 2.92Å; K356-E361 CarbonylContact C-O 3.5Å; K356-E361 HydrophobicContact CB-CB 4.04Å; K356-E361 PolarHBondContact O-N 3.4Å
357V89.3Confident92.2Very high67 Ų6760.1 Ų60.141%0.40631%0.31SS..Hα-helixtrans-67.3-28.7179.1-175.90000112.1A346 Q354 T355 L359 P363A346-V357 HydrophobicContact CB-CB 4.48Å; A346-V357 HydrophobicContact CB-CG2 3.5Å; A346-V357 VanDerWaalsContact CB-CG2 3.5Å; Q354-V357 PolarHBondContact O-N 3.16Å; T355-V357 VanDerWaalsContact C-N 3.26Å; T355-V357 PolarHBondContact O-N 3.38Å; V357-L359 PolarHBondContact O-N 3.3Å; V357-P363 HydrophobicContact CG2-CB 4.32Å; V357-P363 HydrophobicContact CG2-CG 4.12Å
358Y87.5Confident92.1Very high180 Ų18058.9 Ų58.971%0.70630%0.304SS*.Hα-helixtrans-71-18.8171.5-57.2-52.2000113T355 K356 P360T355-Y358 PolarHBondContact O-N 3.49Å; K356-Y358 VanDerWaalsContact C-N 3.26Å; K356-Y358 PolarHBondContact O-N 2.65Å; Y358-P360 VanDerWaalsContact C-CD 3.44Å; Y358-P360 VanDerWaalsContact O-CD 3.25Å; Y358-P360 WeakPolarHBondContact O-CD 3.46Å
359L88.6Confident92Very high116 Ų11658 Ų5861%0.60730%0.301SS*.THydrogen-bonded Turntrans-100.626.5178.6-61.9178.2000113.2K356 V357 E361K356-L359 CarbonylContact O-C 3.05Å; K356-L359 WeakPolarHBondContact O-CA 3.46Å; K356-L359 PolarHBondContact O-N 2.92Å; V357-L359 PolarHBondContact O-N 3.3Å; L359-E361 HydrophobicContact CB-CG 4.33Å; L359-E361 PolarHBondContact O-N 3.27Å; L359-E361 VanDerWaalsContact O-N 3.07Å
360P86.3Confident92Very high123 Ų12360.2 Ų60.280%0.79931%0.312SS*.THydrogen-bonded Turntrans32.432-160.7-6-18.9000117.9Y358Y358-P360 VanDerWaalsContact C-CD 3.44Å; Y358-P360 VanDerWaalsContact O-CD 3.25Å; Y358-P360 WeakPolarHBondContact O-CD 3.46Å
361E89.8Confident91.9Very high102 Ų10266.7 Ų66.748%0.47734%0.341SS..  trans-99.1142.8179.2-73.2176.3-168.600111.1K356 L359K356-E361 CarbonylContact C-O 3.5Å; K356-E361 HydrophobicContact CB-CB 4.04Å; K356-E361 PolarHBondContact O-N 3.4Å; L359-E361 HydrophobicContact CB-CG 4.33Å; L359-E361 PolarHBondContact O-N 3.27Å; L359-E361 VanDerWaalsContact O-N 3.07Å
362P91.6Very high91.8Very high58 Ų5864 Ų6438%0.37733%0.334SS..  trans-65.8130.4177.226.5-32.7000110.9F364 A367P362-F364 PolarHBondContact O-N 2.9Å; P362-A367 HydrophobicContact CB-CB 3.69Å; P362-A367 HydrophobicContact CG-CB 4.02Å
363P93.3Very high91.7Very high6 Ų663.4 Ų63.44%0.03933%0.33CS..SBendtrans-63.8-25.9-179.721.6-33.1000113.5A346 L349 K353 V357A346-P363 HydrophobicContact CB-CG 4.32Å; L349-P363 HydrophobicContact CD1-CB 3.63Å; L349-P363 HydrophobicContact CD1-CG 4.06Å; K353-P363 HydrophobicContact CB-CB 4.03Å; K353-P363 PolarHBondContact NZ-O 3.07Å; K353-P363 VanDerWaalsContact NZ-O 3.08Å; V357-P363 HydrophobicContact CG2-CB 4.32Å; V357-P363 HydrophobicContact CG2-CG 4.12Å
364F94.8Very high91.6Very high0 Ų065.8 Ų65.80%034%0.341CS..SBendtrans-116.8137175.5-66.2-92.6000113H248 Y308 S342 Q343 L349 K353 P362 H366 A367H248-F364 HydrophobicContact CB-CE1 3.48Å; H248-F364 VanDerWaalsContact CB-CE1 3.48Å; H248-F364 HydrophobicContact CB-CZ 3.58Å; H248-F364 AromaticContact CD2-CZ 3.87Å; H248-F364 AromaticContact CG-CE1 3.83Å; H248-F364 AromaticContact CG-CZ 3.84Å; Y308-F364 HydrophobicContact CG-CE1 4.42Å; S342-F364 WeakPolarHBondContact O-CD2 3.14Å; S342-F364 WeakPolarHBondContact O-CE2 3.2Å; Q343-F364 PolarHBondContact NE2-O 2.82Å; L349-F364 HydrophobicContact CD1-CD2 4.34Å; L349-F364 HydrophobicContact CD1-CE2 3.6Å; L349-F364 HydrophobicContact CD1-CZ 4.26Å; L349-F364 HydrophobicContact CD2-CE2 3.73Å; L349-F364 HydrophobicContact CD2-CZ 3.66Å; L349-F364 HydrophobicContact CG-CE2 4.34Å; K353-F364 HydrophobicContact CD-CE1 4.33Å; K353-F364 HydrophobicContact CD-CZ 4.27Å; P362-F364 PolarHBondContact O-N 2.9Å; F364-H366 VanDerWaalsContact C-N 3.26Å; F364-H366 WeakPolarHBondContact CB-CE1 3.49Å; F364-H366 VanDerWaalsContact CB-ND1 3.34Å; F364-H366 WeakPolarHBondContact CB-ND1 3.37Å; F364-H366 AromaticContact CG-CE1 3.7Å; F364-H366 PolarHBondContact O-N 2.94Å; F364-A367 PolarHBondContact O-N 2.7Å
365P93.4Very high91.8Very high19 Ų1964 Ų6412%0.12333%0.332CS..THydrogen-bonded Turntrans-72.6-15.4-174.130.7-37.1000114E312 Y315 A367 E368 L369E312-P365 HydrophobicContact CB-CG 4Å; E312-P365 HydrophobicContact CG-CG 3.92Å; Y315-P365 HydrophobicContact CD1-CB 3.7Å; Y315-P365 HydrophobicContact CD1-CG 4.27Å; Y315-P365 HydrophobicContact CD2-CB 3.84Å; Y315-P365 HydrophobicContact CE1-CB 4.03Å; Y315-P365 HydrophobicContact CE2-CB 4.12Å; Y315-P365 HydrophobicContact CG-CB 3.6Å; Y315-P365 HydrophobicContact CG-CG 4.13Å; P365-A367 PolarHBondContact O-N 2.94Å; P365-A367 VanDerWaalsContact O-N 3.12Å; P365-E368 WeakPolarHBondContact O-CB 3.36Å; P365-E368 PolarHBondContact O-N 3.14Å; P365-L369 PolarHBondContact O-N 3.05Å
366H94.5Very high92Very high2 Ų263.5 Ų63.51%0.00933%0.326CS..Hα-helixtrans-61.3-21.6176.764.2-109.1000112.6L311 S342 Q343 F364 E368 L369 I370 L375L311-H366 HydrophobicContact CB-CB 4.19Å; L311-H366 HydrophobicContact CD1-CB 3.97Å; S342-H366 PolarHBondContact OG-CE1 3.26Å; S342-H366 PolarHBondContact OG-NE2 2.86Å; Q343-H366 PolarHBondContact NE2-NE2 3Å; F364-H366 VanDerWaalsContact C-N 3.26Å; F364-H366 WeakPolarHBondContact CB-CE1 3.49Å; F364-H366 VanDerWaalsContact CB-ND1 3.34Å; F364-H366 WeakPolarHBondContact CB-ND1 3.37Å; F364-H366 AromaticContact CG-CE1 3.7Å; F364-H366 PolarHBondContact O-N 2.94Å; H366-E368 VanDerWaalsContact C-N 3.28Å; H366-E368 PolarHBondContact O-N 2.9Å; H366-L369 PolarHBondContact O-N 2.94Å; H366-I370 WeakPolarHBondContact O-CD1 3.47Å; H366-I370 VanDerWaalsContact O-CG1 3.26Å; H366-I370 WeakPolarHBondContact O-CG1 3.32Å; H366-I370 PolarHBondContact O-N 3.22Å; H366-L375 HydrophobicContact CB-CD2 4.05Å
367A94.2Very high92.2Very high18 Ų1862.7 Ų62.715%0.14932%0.323CS..Hα-helixtrans-57.6-41.7170.900000111.8P362 F364 P365 I370 Q371P362-A367 HydrophobicContact CB-CB 3.69Å; P362-A367 HydrophobicContact CG-CB 4.02Å; F364-A367 PolarHBondContact O-N 2.7Å; P365-A367 PolarHBondContact O-N 2.94Å; P365-A367 VanDerWaalsContact O-N 3.12Å; A367-I370 PolarHBondContact O-N 3.22Å; A367-Q371 WeakPolarHBondContact O-CG 3.48Å; A367-Q371 PolarHBondContact O-N 3.29Å
368E92.5Very high92.6Very high84 Ų8460.5 Ų60.539%0.39331%0.308SS..Hα-helixtrans-71.9-37.4176.9-170-176.3162.700111.7Y315 P365 H366 I370 Q371 T372Y315-E368 HydrophobicContact CE2-CB 4.26Å; Y315-E368 HydrophobicContact CE2-CG 4.47Å; Y315-E368 WeakPolarHBondContact CE2-OE2 3.4Å; Y315-E368 PolarHBondContact OH-OE2 2.86Å; P365-E368 WeakPolarHBondContact O-CB 3.36Å; P365-E368 PolarHBondContact O-N 3.14Å; H366-E368 VanDerWaalsContact C-N 3.28Å; H366-E368 PolarHBondContact O-N 2.9Å; E368-I370 PolarHBondContact O-N 3.16Å; E368-Q371 PolarHBondContact O-N 2.68Å; E368-T372 HydrophobicContact CG-CG2 4.25Å; E368-T372 WeakPolarHBondContact O-CB 3.45Å; E368-T372 WeakPolarHBondContact O-CG2 3.3Å; E368-T372 PolarHBondContact O-N 3.09Å; E368-T372 PolarHBondContact O-OG1 2.66Å
369L93.3Very high92.9Very high4 Ų456 Ų562%0.02130%0.3CS..Hα-helixtrans-59.3-36.3174-65.4178.2000111.9Y315 I318 P365 H366 T372 N373 K374 L375Y315-L369 HydrophobicContact CD2-CD1 4.33Å; Y315-L369 HydrophobicContact CD2-CD2 3.69Å; Y315-L369 HydrophobicContact CD2-CG 3.79Å; Y315-L369 HydrophobicContact CE2-CD2 4.39Å; I318-L369 HydrophobicContact CD1-CD2 4.11Å; P365-L369 PolarHBondContact O-N 3.05Å; H366-L369 PolarHBondContact O-N 2.94Å; L369-T372 PolarHBondContact O-OG1 3.42Å; L369-N373 PolarHBondContact O-N 3.4Å; L369-K374 HydrophobicContact CD2-CB 4.08Å; L369-K374 HydrophobicContact CD2-CD 4.04Å; L369-K374 PolarHBondContact O-N 3.28Å; L369-L375 HydrophobicContact CB-CB 3.57Å; L369-L375 HydrophobicContact CB-CD2 4.46Å; L369-L375 PolarHBondContact O-N 3.43Å
370I94.8Very high93Very high48 Ų4851.4 Ų51.425%0.24628%0.278CS..Hα-helixtrans-70.5-48.7175.9-65.1161000110.3L339 H366 A367 E368 T372 N373 L375L339-I370 HydrophobicContact CD1-CD1 3.87Å; H366-I370 WeakPolarHBondContact O-CD1 3.47Å; H366-I370 VanDerWaalsContact O-CG1 3.26Å; H366-I370 WeakPolarHBondContact O-CG1 3.32Å; H366-I370 PolarHBondContact O-N 3.22Å; A367-I370 PolarHBondContact O-N 3.22Å; E368-I370 PolarHBondContact O-N 3.16Å; I370-T372 VanDerWaalsContact C-N 3.26Å; I370-T372 PolarHBondContact O-N 3.19Å; I370-N373 PolarHBondContact O-N 2.9Å; I370-L375 WeakPolarHBondContact CA-O 3.47Å; I370-L375 HydrophobicContact CD1-CD2 4.47Å; I370-L375 HydrophobicContact CG1-CB 4.31Å; I370-L375 HydrophobicContact CG1-CD2 4.07Å; I370-L375 HydrophobicContact CG1-CG 4.27Å
371Q92.6Very high93.2Very high153 Ų15345.9 Ų45.972%0.71524%0.242SC*.Hα-helixtrans-59.6-36.4178.8-71.817412.200112.8A367 E368 N373A367-Q371 WeakPolarHBondContact O-CG 3.48Å; A367-Q371 PolarHBondContact O-N 3.29Å; E368-Q371 PolarHBondContact O-N 2.68Å; Q371-N373 VanDerWaalsContact C-N 3.26Å; Q371-N373 PolarHBondContact O-N 2.98Å
372T90.9Very high93Very high69 Ų6946.4 Ų46.442%0.42324%0.244SC..THydrogen-bonded Turntrans-83.94.5177.757.60000113.7E368 L369 I370 K374E368-T372 HydrophobicContact CG-CG2 4.25Å; E368-T372 WeakPolarHBondContact O-CB 3.45Å; E368-T372 WeakPolarHBondContact O-CG2 3.3Å; E368-T372 PolarHBondContact O-N 3.09Å; E368-T372 PolarHBondContact O-OG1 2.66Å; L369-T372 PolarHBondContact O-OG1 3.42Å; I370-T372 VanDerWaalsContact C-N 3.26Å; I370-T372 PolarHBondContact O-N 3.19Å; T372-K374 PolarHBondContact O-N 3.29Å; T372-K374 VanDerWaalsContact O-N 3.15Å
373N90.6Very high92.7Very high112 Ų11246.2 Ų46.260%0.59925%0.252SS*.THydrogen-bonded Turntrans57.319.3-176.3-68.8-63.3000114.9L369 I370 Q371L369-N373 PolarHBondContact O-N 3.4Å; I370-N373 PolarHBondContact O-N 2.9Å; Q371-N373 VanDerWaalsContact C-N 3.26Å; Q371-N373 PolarHBondContact O-N 2.98Å
374K91.8Very high92.3Very high60 Ų6051.6 Ų51.626%0.26128%0.28SS..SBendtrans-77.3-39.7173.6-72.4-176.8177178.80111.2D319 F328 L369 T372D319-K374 IonicContact OD1-NZ 3.8Å; F328-K374 PolarHBondContact N-O 3.35Å; L369-K374 HydrophobicContact CD2-CB 4.08Å; L369-K374 HydrophobicContact CD2-CD 4.04Å; L369-K374 PolarHBondContact O-N 3.28Å; T372-K374 PolarHBondContact O-N 3.29Å; T372-K374 VanDerWaalsContact O-N 3.15Å
375L95.7Very high92.1Very high1 Ų152 Ų521%0.00528%0.282CS..EExtended strand (participates in β ladder)trans-107117.7172.3178.965.7000109.5L311 F328 F330 H366 L369 I370L311-L375 HydrophobicContact CD1-CD2 4Å; L311-L375 HydrophobicContact CD2-CD1 4.19Å; L311-L375 HydrophobicContact CD2-CD2 4Å; F328-L375 HydrophobicContact CB-CD1 3.76Å; F328-L375 WeakPolarHBondContact O-CA 3.46Å; F330-L375 HydrophobicContact CB-CD1 4.25Å; H366-L375 HydrophobicContact CB-CD2 4.05Å; L369-L375 HydrophobicContact CB-CB 3.57Å; L369-L375 HydrophobicContact CB-CD2 4.46Å; L369-L375 PolarHBondContact O-N 3.43Å; I370-L375 WeakPolarHBondContact CA-O 3.47Å; I370-L375 HydrophobicContact CD1-CD2 4.47Å; I370-L375 HydrophobicContact CG1-CB 4.31Å; I370-L375 HydrophobicContact CG1-CD2 4.07Å; I370-L375 HydrophobicContact CG1-CG 4.27Å
376K95.9Very high91.7Very high41 Ų4155 Ų5518%0.17830%0.304CS..EExtended strand (participates in β ladder)trans-113.4136.1175.3-60.9-175.3177.2-1700109.2F328 Y329 F330 Y378 E388F328-K376 PolarHBondContact O-N 3.01Å; Y329-K376 CarbonylContact C-O 3.59Å; Y329-K376 VanDerWaalsContact CA-O 3.26Å; Y329-K376 WeakPolarHBondContact CA-O 3.48Å; Y329-K376 HydrophobicContact CD1-CB 4.08Å; Y329-K376 HydrophobicContact CE1-CB 4.33Å; Y329-K376 HydrophobicContact CE1-CD 4.22Å; F330-K376 PolarHBondContact N-O 3.47Å; K376-Y378 HydrophobicContact CB-CE2 3.69Å; K376-E388 IonicContact NZ-OE2 2.65Å; K376-E388 PolarHBondContact NZ-OE2 2.67Å
377H95.8Very high91.4Very high53 Ų5359.6 Ų59.625%0.24534%0.336CS..EExtended strand (participates in β ladder)trans-117.4143178.462.4-90.8000110.5F330 A335 N336 L339F330-H377 HydrophobicContact CB-CB 4.24Å; F330-H377 CarbonylContact O-C 3.55Å; F330-H377 WeakPolarHBondContact O-CA 3.29Å; A335-H377 HydrophobicContact CB-CB 4.07Å; N336-H377 PolarHBondContact OD1-NE2 3.45Å; N336-H377 VanDerWaalsContact OD1-NE2 3.13Å; L339-H377 HydrophobicContact CD1-CB 4.34Å
378Y96.2Very high91.2Very high22 Ų2262.2 Ų62.29%0.08635%0.345CS..EExtended strand (participates in β ladder)trans-139.5145-178.8-61.8-81.2000110.5Y329 F330 I331 S332 K376 S380 D384 F385 E388Y329-Y378 HydrophobicContact CD1-CD2 4.28Å; Y329-Y378 AromaticContact CD1-CE2 3.76Å; Y329-Y378 HydrophobicContact CD1-CE2 3.76Å; Y329-Y378 HydrophobicContact CE1-CE2 4.04Å; F330-Y378 PolarHBondContact O-N 2.93Å; I331-Y378 WeakPolarHBondContact CA-O 3.32Å; S332-Y378 PolarHBondContact N-O 2.73Å; K376-Y378 HydrophobicContact CB-CE2 3.69Å; Y378-S380 VanDerWaalsContact C-N 3.27Å; Y378-S380 PolarHBondContact O-N 3.24Å; Y378-D384 HydrophobicContact CD1-CB 4.18Å; Y378-D384 HydrophobicContact CE1-CB 3.91Å; Y378-F385 HydrophobicContact CD1-CB 4.18Å; Y378-F385 HydrophobicContact CD2-CB 4.11Å; Y378-F385 AromaticContact CD2-CD2 3.62Å; Y378-F385 HydrophobicContact CD2-CD2 3.62Å; Y378-F385 HydrophobicContact CD2-CG 4.33Å; Y378-F385 AromaticContact CE2-CD2 3.88Å; Y378-F385 HydrophobicContact CE2-CD2 3.88Å; Y378-F385 HydrophobicContact CG-CB 3.91Å; Y378-F385 HydrophobicContact CG-CD2 4.26Å; Y378-E388 WeakPolarHBondContact OH-CB 3.41Å; Y378-E388 VanDerWaalsContact OH-CD 3.27Å; Y378-E388 PolarHBondContact OH-OE2 2.74Å
379P94.3Very high91.2Very high85 Ų8560.9 Ų60.955%0.55234%0.338SS*.SBendtrans-69.4-26.9178.727.8-34.3000112.8S332 P333S332-P379 CarbonylContact C-O 3.57Å; S332-P379 WeakPolarHBondContact O-CA 3.46Å; P333-P379 WeakPolarHBondContact CA-O 3.5Å; P333-P379 VanDerWaalsContact N-O 3.14Å
380S91.4Very high91.1Very high19 Ų1969.2 Ų69.213%0.13337%0.369CS..  trans-158.5165.1178.4-171.40000111.4R148 Y378 H382 D406R148-S380 PolarHBondContact NH1-OG 3.31Å; Y378-S380 VanDerWaalsContact C-N 3.27Å; Y378-S380 PolarHBondContact O-N 3.24Å; S380-H382 PolarHBondContact O-N 2.52Å; S380-D406 VanDerWaalsContact CA-OD2 3.3Å; S380-D406 WeakPolarHBondContact CA-OD2 3.34Å; S380-D406 PolarHBondContact OG-OD2 3.41Å
381I90.9Very high91Very high8 Ų871.9 Ų71.94%0.04138%0.381CS..SBendtrans-60.9-18.7167.458.5171.7000114.3L43 I331 F385 S386 D406 H409 F410L43-I381 HydrophobicContact CD1-CD1 3.92Å; L43-I381 HydrophobicContact CD1-CG1 4.46Å; I331-I381 HydrophobicContact CD1-CG2 4.12Å; I331-I381 HydrophobicContact CG2-CG2 4.29Å; I381-F385 HydrophobicContact CB-CD1 4.17Å; I381-F385 HydrophobicContact CB-CE1 4.47Å; I381-F385 HydrophobicContact CG2-CD1 4.32Å; I381-F385 HydrophobicContact CG2-CE1 4.24Å; I381-S386 PolarHBondContact O-OG 3.48Å; I381-D406 HydrophobicContact CG2-CB 3.9Å; I381-D406 PolarHBondContact N-OD2 3.42Å; I381-H409 HydrophobicContact CD1-CB 3.9Å; I381-F410 HydrophobicContact CG2-CE2 3.63Å; I381-F410 HydrophobicContact CG2-CZ 3.76Å
382H84.8Confident91.2Very high113 Ų11366.9 Ų66.952%0.52336%0.362SS..SBendtrans-87147.5176.4-60.8-59.1000111.6S380S380-H382 PolarHBondContact O-N 2.52Å
383G85.4Confident91.4Very high53 Ų5363.6 Ų63.655%0.54634%0.342SS..SBendtrans88.7-134179.400000112.3F385 S386G383-F385 PolarHBondContact O-N 3.45Å; G383-F385 VanDerWaalsContact O-N 3.13Å; G383-S386 WeakPolarHBondContact O-CB 3.4Å; G383-S386 PolarHBondContact O-N 2.93Å
384D84.9Confident91.8Very high119 Ų11958.3 Ų58.364%0.63631%0.313SS*.THydrogen-bonded Turntrans-60.2-27-169-57.8-31.6000113.9Y378 S386 S387 E388Y378-D384 HydrophobicContact CD1-CB 4.18Å; Y378-D384 HydrophobicContact CE1-CB 3.91Å; D384-S386 PolarHBondContact O-N 3.13Å; D384-S387 PolarHBondContact O-N 3.44Å; D384-S387 PolarHBondContact O-OG 2.72Å; D384-E388 PolarHBondContact O-N 2.62Å
385F90.5Very high92.1Very high9 Ų955.4 Ų55.44%0.03930%0.301CS..Hα-helixtrans-57.1-39.9174.3176.6-107000112Y329 I331 Y378 I381 G383 S387 E388 F389 F410Y329-F385 HydrophobicContact CD1-CD2 4.16Å; Y329-F385 AromaticContact CD1-CE2 3.8Å; Y329-F385 HydrophobicContact CD1-CE2 3.8Å; Y329-F385 HydrophobicContact CD2-CE2 4.28Å; Y329-F385 HydrophobicContact CE1-CD2 4.47Å; Y329-F385 HydrophobicContact CE1-CE2 4.18Å; Y329-F385 AromaticContact CG-CE2 3.84Å; Y329-F385 HydrophobicContact CG-CE2 3.84Å; I331-F385 HydrophobicContact CD1-CD2 4.01Å; I331-F385 HydrophobicContact CD1-CE1 4.14Å; I331-F385 HydrophobicContact CD1-CE2 3.6Å; I331-F385 HydrophobicContact CD1-CG 4.43Å; I331-F385 HydrophobicContact CD1-CZ 3.65Å; I331-F385 HydrophobicContact CG1-CE2 4.41Å; Y378-F385 HydrophobicContact CD1-CB 4.18Å; Y378-F385 HydrophobicContact CD2-CB 4.11Å; Y378-F385 AromaticContact CD2-CD2 3.62Å; Y378-F385 HydrophobicContact CD2-CD2 3.62Å; Y378-F385 HydrophobicContact CD2-CG 4.33Å; Y378-F385 AromaticContact CE2-CD2 3.88Å; Y378-F385 HydrophobicContact CE2-CD2 3.88Å; Y378-F385 HydrophobicContact CG-CB 3.91Å; Y378-F385 HydrophobicContact CG-CD2 4.26Å; I381-F385 HydrophobicContact CB-CD1 4.17Å; I381-F385 HydrophobicContact CB-CE1 4.47Å; I381-F385 HydrophobicContact CG2-CD1 4.32Å; I381-F385 HydrophobicContact CG2-CE1 4.24Å; G383-F385 PolarHBondContact O-N 3.45Å; G383-F385 VanDerWaalsContact O-N 3.13Å; F385-S387 VanDerWaalsContact C-N 3.31Å; F385-S387 PolarHBondContact O-N 2.92Å; F385-E388 PolarHBondContact O-N 3.05Å; F385-F389 HydrophobicContact CE1-CB 4.21Å; F385-F389 AromaticContact CE1-CD2 3.85Å; F385-F389 HydrophobicContact CE1-CD2 3.85Å; F385-F389 HydrophobicContact CE1-CE2 4.37Å; F385-F389 HydrophobicContact CE1-CG 4.07Å; F385-F389 HydrophobicContact CE2-CB 4.34Å; F385-F389 AromaticContact CE2-CD2 3.74Å; F385-F389 HydrophobicContact CE2-CD2 3.74Å; F385-F389 HydrophobicContact CE2-CE2 4.5Å; F385-F389 HydrophobicContact CE2-CG 4.42Å; F385-F389 HydrophobicContact CZ-CB 4.11Å; F385-F389 AromaticContact CZ-CD2 3.18Å; F385-F389 HydrophobicContact CZ-CD2 3.18Å; F385-F389 AromaticContact CZ-CE2 3.69Å; F385-F389 HydrophobicContact CZ-CE2 3.69Å; F385-F389 AromaticContact CZ-CG 3.83Å; F385-F389 HydrophobicContact CZ-CG 3.83Å; F385-F389 VanDerWaalsContact O-CB 3.25Å; F385-F389 WeakPolarHBondContact O-CB 3.39Å; F385-F389 PolarHBondContact O-N 3.01Å; F385-F410 HydrophobicContact CE1-CE1 4.41Å; F385-F410 AromaticContact CE1-CZ 3.89Å; F385-F410 HydrophobicContact CE1-CZ 3.89Å; F385-F410 HydrophobicContact CZ-CE1 4.28Å; F385-F410 AromaticContact CZ-CZ 3.79Å; F385-F410 HydrophobicContact CZ-CZ 3.79Å
386S85.8Confident92.2Very high83 Ų8355.4 Ų55.458%0.5830%0.3SS*.Hα-helixtrans-66.9-29-173.5-66.60000113.6I381 G383 D384I381-S386 PolarHBondContact O-OG 3.48Å; G383-S386 WeakPolarHBondContact O-CB 3.4Å; G383-S386 PolarHBondContact O-N 2.93Å; D384-S386 PolarHBondContact O-N 3.13Å
387S87.4Confident92.3Very high98 Ų9853.4 Ų53.469%0.68529%0.292SS*.Hα-helixtrans-82.9-26.9178.755.80000112.6D384 F385D384-S387 PolarHBondContact O-N 3.44Å; D384-S387 PolarHBondContact O-OG 2.72Å; F385-S387 VanDerWaalsContact C-N 3.31Å; F385-S387 PolarHBondContact O-N 2.92Å
388E89.5Confident92.1Very high72 Ų7251 Ų5134%0.33628%0.281SS..Hα-helixtrans-103.9-6.1-175.4-66.8-167.5-149.800114.3Y329 K376 Y378 D384 F385 R390Y329-E388 PolarHBondContact OH-O 3.09Å; K376-E388 IonicContact NZ-OE2 2.65Å; K376-E388 PolarHBondContact NZ-OE2 2.67Å; Y378-E388 WeakPolarHBondContact OH-CB 3.41Å; Y378-E388 VanDerWaalsContact OH-CD 3.27Å; Y378-E388 PolarHBondContact OH-OE2 2.74Å; D384-E388 PolarHBondContact O-N 2.62Å; F385-E388 PolarHBondContact O-N 3.05Å; E388-R390 PolarHBondContact O-N 3.02Å
389F92.2Very high92.1Very high57 Ų5750.6 Ų50.625%0.2528%0.28CS..  trans-64123.3179.3179.1-120000111.9Y329 F385 Q391 F410 W414Y329-F389 HydrophobicContact CE2-CD2 4.25Å; F385-F389 HydrophobicContact CE1-CB 4.21Å; F385-F389 AromaticContact CE1-CD2 3.85Å; F385-F389 HydrophobicContact CE1-CD2 3.85Å; F385-F389 HydrophobicContact CE1-CE2 4.37Å; F385-F389 HydrophobicContact CE1-CG 4.07Å; F385-F389 HydrophobicContact CE2-CB 4.34Å; F385-F389 AromaticContact CE2-CD2 3.74Å; F385-F389 HydrophobicContact CE2-CD2 3.74Å; F385-F389 HydrophobicContact CE2-CE2 4.5Å; F385-F389 HydrophobicContact CE2-CG 4.42Å; F385-F389 HydrophobicContact CZ-CB 4.11Å; F385-F389 AromaticContact CZ-CD2 3.18Å; F385-F389 HydrophobicContact CZ-CD2 3.18Å; F385-F389 AromaticContact CZ-CE2 3.69Å; F385-F389 HydrophobicContact CZ-CE2 3.69Å; F385-F389 AromaticContact CZ-CG 3.83Å; F385-F389 HydrophobicContact CZ-CG 3.83Å; F385-F389 VanDerWaalsContact O-CB 3.25Å; F385-F389 WeakPolarHBondContact O-CB 3.39Å; F385-F389 PolarHBondContact O-N 3.01Å; F389-Q391 HydrophobicContact CE1-CG 4.05Å; F389-Q391 HydrophobicContact CE2-CG 4.38Å; F389-Q391 HydrophobicContact CZ-CG 3.8Å; F389-F410 HydrophobicContact CE2-CE1 4.43Å; F389-W414 HydrophobicContact CE2-CZ2 4.22Å; F389-W414 AromaticContact CZ-CZ2 3.97Å; F389-W414 HydrophobicContact CZ-CZ2 3.97Å
390R92.8Very high92.2Very high178 Ų17846.7 Ų46.767%0.67225%0.254SS*.  trans-132.7149.7179-63.9178.2-171.4-1762110P327 Y329 E388 C393P327-R390 HydrophobicContact CG-CB 4.39Å; Y329-R390 PolarHBondContact OH-N 3.49Å; Y329-R390 VanDerWaalsContact OH-N 3.09Å; E388-R390 PolarHBondContact O-N 3.02Å; R390-C393 WeakPolarHBondContact O-CB 3.37Å; R390-C393 PolarHBondContact O-SG 2.91Å
391Q92.5Very high92.5Very high105 Ų10545.8 Ų45.849%0.49125%0.248SC..SBendtrans-124.4145.4175.5-60.7-173.48.700109.7N296 F389N296-Q391 VanDerWaalsContact ND2-CD 3.31Å; N296-Q391 PolarHBondContact ND2-OE1 3.03Å; N296-Q391 WeakPolarHBondContact OD1-CB 3.31Å; N296-Q391 WeakPolarHBondContact OD1-CG 3.45Å; F389-Q391 HydrophobicContact CE1-CG 4.05Å; F389-Q391 HydrophobicContact CE2-CG 4.38Å; F389-Q391 HydrophobicContact CZ-CG 3.8Å
392P95.1Very high92.7Very high48 Ų4845.4 Ų45.431%0.31225%0.246SC..SBendcis-71.7147.9130.9-35.9000112.8I291 G295 N296 P327I291-P392 HydrophobicContact CD1-CB 4.32Å; I291-P392 HydrophobicContact CG2-CG 4.47Å; G295-P392 VanDerWaalsContact O-CB 3.22Å; G295-P392 WeakPolarHBondContact O-CB 3.36Å; N296-P392 WeakPolarHBondContact OD1-CA 3.42Å; P327-P392 WeakPolarHBondContact CD-O 3.36Å
393C96.5Very high93.2Very high0 Ų040 Ų400%022%0.221CC..  trans-148.3167.9-179.464.20000113.3N296 V297 P327 Y329 R390N296-C393 WeakPolarHBondContact CA-O 3.05Å; N296-C393 PolarHBondContact OD1-N 2.61Å; N296-C393 VanDerWaalsContact OD1-N 3.15Å; N296-C393 PolarHBondContact OD1-SG 2.95Å; V297-C393 PolarHBondContact N-O 3.39Å; P327-C393 HydrophobicContact CG-CB 3.87Å; Y329-C393 HydrophobicContact CD2-CB 3.85Å; Y329-C393 HydrophobicContact CE2-CB 3.64Å; R390-C393 WeakPolarHBondContact O-CB 3.37Å; R390-C393 PolarHBondContact O-SG 2.91Å
394V97.8Very high93.6Very high0 Ų037.5 Ų37.50%020%0.195CC..EExtended strand (participates in β ladder)trans-112.8126.4170.1-175.80000108.5L287 I291 V297 V299 T326 P327 F328 Y329 F396L287-V394 HydrophobicContact CD1-CG1 3.88Å; L287-V394 HydrophobicContact CD1-CG2 3.95Å; L287-V394 HydrophobicContact CD2-CG2 4.06Å; L287-V394 HydrophobicContact CG-CG2 4.01Å; I291-V394 HydrophobicContact CD1-CG2 3.9Å; I291-V394 HydrophobicContact CG1-CG2 4.18Å; V297-V394 HydrophobicContact CB-CG1 4.29Å; V297-V394 HydrophobicContact CB-CG2 4.22Å; V297-V394 HydrophobicContact CG1-CG1 4.31Å; V297-V394 WeakPolarHBondContact O-CA 3.2Å; V299-V394 HydrophobicContact CG2-CG1 4.34Å; T326-V394 HydrophobicContact CG2-CG2 4.37Å; P327-V394 PolarHBondContact O-N 3.39Å; P327-V394 VanDerWaalsContact O-N 3.15Å; F328-V394 CarbonylContact C-O 3.59Å; F328-V394 WeakPolarHBondContact CA-O 3.21Å; F328-V394 HydrophobicContact CD1-CB 3.61Å; F328-V394 HydrophobicContact CD1-CG1 3.97Å; F328-V394 HydrophobicContact CD1-CG2 3.92Å; F328-V394 HydrophobicContact CE1-CB 3.95Å; F328-V394 HydrophobicContact CE1-CG1 4.29Å; F328-V394 HydrophobicContact CE1-CG2 3.73Å; F328-V394 HydrophobicContact CG-CB 4.46Å; Y329-V394 PolarHBondContact N-O 3.24Å; V394-F396 HydrophobicContact CG1-CD2 4.49Å; V394-F396 HydrophobicContact CG1-CE2 3.83Å; V394-F396 HydrophobicContact CG1-CZ 3.87Å
395V98.2Very high94.1Very high0 Ų032 Ų320%017%0.166CC..EExtended strand (participates in β ladder)trans-118.3118.1178.51770000109.9V297 L298 V299 Y329 I331 T397 F410 W414V297-V395 PolarHBondContact O-N 3.01Å; L298-V395 HydrophobicContact CD1-CB 4.24Å; L298-V395 HydrophobicContact CD1-CG1 4.21Å; V299-V395 PolarHBondContact N-O 2.74Å; Y329-V395 HydrophobicContact CD2-CG2 4.13Å; Y329-V395 CarbonylContact O-C 3.47Å; Y329-V395 WeakPolarHBondContact O-CA 3.48Å; I331-V395 HydrophobicContact CD1-CG1 3.8Å; I331-V395 HydrophobicContact CG1-CG1 4.33Å; V395-T397 HydrophobicContact CG1-CG2 3.92Å; V395-F410 HydrophobicContact CG1-CD2 4.22Å; V395-F410 HydrophobicContact CG1-CE2 3.85Å; V395-F410 HydrophobicContact CG1-CZ 4.11Å; V395-F410 HydrophobicContact CG2-CE1 4.46Å; V395-F410 HydrophobicContact CG2-CZ 4.44Å; V395-W414 HydrophobicContact CB-CH2 4.06Å; V395-W414 HydrophobicContact CB-CZ3 4.41Å; V395-W414 HydrophobicContact CG2-CH2 3.56Å; V395-W414 HydrophobicContact CG2-CZ2 4.38Å; V395-W414 HydrophobicContact CG2-CZ3 4.38Å
396F98.4Very high94.2Very high0 Ų031.6 Ų31.60%017%0.165CC..EExtended strand (participates in β ladder)trans-92121.9165.2-58.3-84000108.3F283 V299 I307 L311 L314 F328 Y329 F330 I331 V394F283-F396 HydrophobicContact CZ-CE1 4.2Å; F283-F396 HydrophobicContact CZ-CZ 4.48Å; V299-F396 HydrophobicContact CB-CD1 3.63Å; V299-F396 HydrophobicContact CB-CE1 3.89Å; V299-F396 HydrophobicContact CB-CG 4.47Å; V299-F396 HydrophobicContact CG1-CD1 3.8Å; V299-F396 HydrophobicContact CG1-CE1 3.95Å; V299-F396 HydrophobicContact CG2-CD1 4.08Å; V299-F396 HydrophobicContact CG2-CE1 3.85Å; I307-F396 HydrophobicContact CD1-CB 4.03Å; I307-F396 HydrophobicContact CD1-CD1 4.43Å; I307-F396 HydrophobicContact CD1-CG 4.3Å; L311-F396 HydrophobicContact CD2-CE2 4.15Å; L311-F396 HydrophobicContact CD2-CZ 4.49Å; L314-F396 HydrophobicContact CD1-CE1 4.42Å; L314-F396 HydrophobicContact CD1-CE2 4.31Å; L314-F396 HydrophobicContact CD1-CZ 3.53Å; F328-F396 HydrophobicContact CD1-CE2 4.01Å; Y329-F396 PolarHBondContact O-N 3.5Å; F330-F396 WeakPolarHBondContact CA-O 3.5Å; F330-F396 HydrophobicContact CD2-CB 3.88Å; I331-F396 PolarHBondContact N-O 3.5Å; V394-F396 HydrophobicContact CG1-CD2 4.49Å; V394-F396 HydrophobicContact CG1-CE2 3.83Å; V394-F396 HydrophobicContact CG1-CZ 3.87Å
397T97.4Very high94.7Very high0 Ų027.7 Ų27.70%014%0.137CC..EExtended strand (participates in β ladder)trans-157.6144.3178.6-171.60000112L298 V299 P300 C301 I331 V395 V407 F410L298-T397 HydrophobicContact CD1-CG2 3.82Å; V299-T397 PolarHBondContact O-N 3.05Å; P300-T397 WeakPolarHBondContact CA-O 3.21Å; C301-T397 PolarHBondContact N-O 3.33Å; I331-T397 WeakPolarHBondContact O-CA 3.18Å; I331-T397 WeakPolarHBondContact O-CB 3.46Å; I331-T397 PolarHBondContact O-OG1 3.45Å; V395-T397 HydrophobicContact CG1-CG2 3.92Å; T397-V407 HydrophobicContact CG2-CB 3.84Å; T397-V407 HydrophobicContact CG2-CG2 4.13Å; T397-F410 HydrophobicContact CG2-CD2 4.04Å; T397-F410 HydrophobicContact CG2-CE2 4.38Å
398G93.3Very high95Very high1 Ų123 Ų231%0.0110%0.104CC..SBendtrans-73.9154.4174.700000112.5C301 G405 D406 V407C301-G398 WeakPolarHBondContact O-CA 3.22Å; G398-G405 CarbonylContact O-C 3.58Å; G398-G405 WeakPolarHBondContact O-CA 3.36Å; G398-D406 PolarHBondContact O-N 3.22Å; G398-V407 WeakPolarHBondContact O-CB 3.26Å; G398-V407 WeakPolarHBondContact O-CG1 3.38Å; G398-V407 PolarHBondContact O-N 2.88Å; G398-V407 VanDerWaalsContact O-N 3.16Å
399H95.6Very high95.2Very high15 Ų1521 Ų217%0.06910%0.095CC..  cis-118.5148.37.3-173.4-91.2000112.5F145 Y302 S401 L402 F404 F429F145-H399 HydrophobicContact CE2-CB 4.31Å; Y302-H399 AromaticContact CD1-NE2 3.98Å; Y302-H399 AromaticContact CE1-CE1 3.97Å; Y302-H399 AromaticContact CE1-NE2 3.4Å; Y302-H399 WeakPolarHBondContact CE1-NE2 3.28Å; H399-S401 PolarHBondContact ND1-N 3.12Å; H399-S401 PolarHBondContact ND1-OG 2.97Å; H399-S401 PolarHBondContact O-N 3.46Å; H399-L402 PolarHBondContact O-N 3.01Å; H399-F404 HydrophobicContact CB-CD2 3.66Å; H399-F404 HydrophobicContact CB-CE2 3.48Å; H399-F404 VanDerWaalsContact CB-CE2 3.48Å; H399-F404 HydrophobicContact CB-CZ 4.35Å; H399-F404 AromaticContact CD2-CE2 3.6Å; H399-F404 AromaticContact CE1-CZ 3.97Å; H399-F404 AromaticContact CG-CE2 3.3Å; H399-F404 AromaticContact CG-CZ 3.85Å; H399-F404 PolarHBondContact N-O 2.92Å; H399-F404 AromaticContact ND1-CE2 3.66Å; H399-F404 AromaticContact ND1-CZ 3.71Å; H399-F429 AromaticContact CE1-CE2 3.67Å; H399-F429 AromaticContact CE1-CZ 3.67Å
400P96.4Very high95.3Very high2 Ų218.3 Ų18.31%0.0138%0.083CC..THydrogen-bonded Turntrans-49.6-30.9179.8-32.137.5000116.3Y302 L402 E426 F429Y302-P400 HydrophobicContact CD1-CG 4Å; Y302-P400 HydrophobicContact CD2-CG 4.15Å; Y302-P400 HydrophobicContact CE1-CG 3.95Å; Y302-P400 HydrophobicContact CE2-CG 4.1Å; Y302-P400 HydrophobicContact CG-CG 4.11Å; P400-L402 PolarHBondContact O-N 2.84Å; P400-E426 HydrophobicContact CB-CB 4.12Å; P400-E426 HydrophobicContact CB-CG 4.07Å; P400-E426 HydrophobicContact CG-CB 4.25Å; P400-E426 HydrophobicContact CG-CG 3.67Å; P400-F429 HydrophobicContact CB-CD2 3.72Å; P400-F429 HydrophobicContact CB-CE2 3.97Å
401S96.4Very high95.4Very high0 Ų010 Ų100%05%0.052CC..THydrogen-bonded Turntrans-67.9-15.3177.267.20000114.6H399 R403H399-S401 PolarHBondContact ND1-N 3.12Å; H399-S401 PolarHBondContact ND1-OG 2.97Å; H399-S401 PolarHBondContact O-N 3.46Å; S401-R403 PolarHBondContact O-N 3.17Å; S401-R403 VanDerWaalsContact O-N 3.15Å; S401-R403 PolarHBondContact O-NH1 3.33Å; S401-R403 VanDerWaalsContact O-NH1 3.14Å; S401-R403 PolarHBondContact OG-N 3.23Å
402L96.9Very high95.4Very high0 Ų06.1 Ų6.10%03%0.034CC..SBendtrans54.525.1-171.6-53.8-173.3000114.3P300 H399 P400 V407 M411 F424 A434 L435 Y438P300-L402 HydrophobicContact CB-CD2 3.76Å; P300-L402 HydrophobicContact CG-CD2 4.28Å; H399-L402 PolarHBondContact O-N 3.01Å; P400-L402 PolarHBondContact O-N 2.84Å; L402-V407 HydrophobicContact CD2-CB 4.16Å; L402-V407 HydrophobicContact CD2-CG1 3.69Å; L402-V407 HydrophobicContact CD2-CG2 3.35Å; L402-M411 HydrophobicContact CD1-CE 4.09Å; L402-M411 HydrophobicContact CD1-CG 4.17Å; L402-M411 HydrophobicContact CD1-SD 4.07Å; L402-M411 HydrophobicContact CD2-CG 4.2Å; L402-F424 HydrophobicContact CD1-CE1 3.92Å; L402-F424 HydrophobicContact CD1-CZ 3.56Å; L402-F424 HydrophobicContact CG-CE1 4.09Å; L402-F424 HydrophobicContact CG-CZ 4.25Å; L402-A434 HydrophobicContact CD1-CB 4.27Å; L402-A434 HydrophobicContact CG-CB 4.25Å; L402-L435 HydrophobicContact CD1-CD2 3.9Å; L402-Y438 HydrophobicContact CB-CE2 3.73Å; L402-Y438 HydrophobicContact CD1-CD2 4.4Å; L402-Y438 HydrophobicContact CD1-CE2 4.09Å; L402-Y438 PolarHBondContact O-OH 2.98Å
403R94.8Very high95.2Very high0 Ų07.8 Ų7.80%04%0.04CC..SBendtrans-99.2-23.4178.8-63.5-60.1-178.5-93.61.7113.3V35 L36 F38 P40 L41 S401 D433 A434 P437V35-R403 HydrophobicContact CB-CG 4.46Å; V35-R403 HydrophobicContact CG2-CB 4.44Å; V35-R403 HydrophobicContact CG2-CG 4.1Å; V35-R403 WeakPolarHBondContact O-CG 3.48Å; L36-R403 PolarHBondContact O-NE 3.26Å; L36-R403 PolarHBondContact O-NH2 2.82Å; F38-R403 WeakPolarHBondContact O-CD 3.35Å; F38-R403 PolarHBondContact O-NE 3.18Å; P40-R403 CarbonylContact C-O 3.51Å; P40-R403 WeakPolarHBondContact CA-O 3.44Å; L41-R403 PolarHBondContact N-O 3.11Å; S401-R403 PolarHBondContact O-N 3.17Å; S401-R403 VanDerWaalsContact O-N 3.15Å; S401-R403 PolarHBondContact O-NH1 3.33Å; S401-R403 VanDerWaalsContact O-NH1 3.14Å; S401-R403 PolarHBondContact OG-N 3.23Å; R403-D433 PolarHBondContact NH2-O 3.19Å; R403-A434 PolarHBondContact NH1-O 3.24Å; R403-P437 VanDerWaalsContact CZ-CG 3.44Å
404F94.1Very high95.2Very high1 Ų18 Ų80%0.0044%0.041CC..SBendtrans-157.8175.1-176.847.6-101.8000109.4V35 L41 P83 L142 F145 M146 H399V35-F404 HydrophobicContact CB-CE1 4.24Å; V35-F404 HydrophobicContact CG1-CE1 4.16Å; V35-F404 HydrophobicContact CG2-CE1 4.14Å; L41-F404 HydrophobicContact CD1-CB 4.48Å; P83-F404 HydrophobicContact CG-CD1 4.29Å; L142-F404 HydrophobicContact CD1-CE2 3.71Å; L142-F404 HydrophobicContact CD1-CZ 3.74Å; F145-F404 HydrophobicContact CB-CB 4.39Å; F145-F404 HydrophobicContact CB-CD2 4.02Å; F145-F404 AromaticContact CD2-CD2 3.67Å; F145-F404 HydrophobicContact CD2-CD2 3.67Å; F145-F404 HydrophobicContact CD2-CE2 4.16Å; F145-F404 HydrophobicContact CG-CD2 4.28Å; M146-F404 HydrophobicContact CE-CB 3.34Å; M146-F404 HydrophobicContact CE-CD1 3.31Å; M146-F404 HydrophobicContact CE-CD2 3.87Å; M146-F404 HydrophobicContact CE-CE1 4.01Å; M146-F404 HydrophobicContact CE-CE2 4.47Å; M146-F404 HydrophobicContact CE-CG 3.22Å; H399-F404 HydrophobicContact CB-CD2 3.66Å; H399-F404 HydrophobicContact CB-CE2 3.48Å; H399-F404 VanDerWaalsContact CB-CE2 3.48Å; H399-F404 HydrophobicContact CB-CZ 4.35Å; H399-F404 AromaticContact CD2-CE2 3.6Å; H399-F404 AromaticContact CE1-CZ 3.97Å; H399-F404 AromaticContact CG-CE2 3.3Å; H399-F404 AromaticContact CG-CZ 3.85Å; H399-F404 PolarHBondContact N-O 2.92Å; H399-F404 AromaticContact ND1-CE2 3.66Å; H399-F404 AromaticContact ND1-CZ 3.71Å
405G93.8Very high94.9Very high3 Ų38.4 Ų8.43%0.0314%0.044CC..SBendtrans81.8178.5-169.600000112.4G398 V407 V408G398-G405 CarbonylContact O-C 3.58Å; G398-G405 WeakPolarHBondContact O-CA 3.36Å; G405-V407 PolarHBondContact O-N 2.71Å; G405-V408 PolarHBondContact O-N 3.46Å
406D93.9Very high94.6Very high1 Ų117 Ų171%0.0058%0.082CC..THydrogen-bonded Turntrans-73.3-16.2-172.2-68.612.5000111.6L43 R148 I331 S380 I381 G398 V408 H409 F410L43-D406 HydrophobicContact CD1-CB 4.35Å; L43-D406 WeakPolarHBondContact CD1-OD1 3.28Å; R148-D406 IonicContact CZ-OD1 3.74Å; R148-D406 VanDerWaalsContact CZ-OD1 3.23Å; R148-D406 IonicContact NH1-OD1 3.35Å; R148-D406 PolarHBondContact NH1-OD1 2.89Å; R148-D406 IonicContact NH1-OD2 2.89Å; R148-D406 IonicContact NH2-OD1 2.69Å; R148-D406 PolarHBondContact NH2-OD1 3.08Å; I331-D406 HydrophobicContact CG2-CB 4.17Å; I331-D406 WeakPolarHBondContact CG2-OD2 3.24Å; S380-D406 VanDerWaalsContact CA-OD2 3.3Å; S380-D406 WeakPolarHBondContact CA-OD2 3.34Å; S380-D406 PolarHBondContact OG-OD2 3.41Å; I381-D406 HydrophobicContact CG2-CB 3.9Å; I381-D406 PolarHBondContact N-OD2 3.42Å; G398-D406 PolarHBondContact O-N 3.22Å; D406-V408 PolarHBondContact O-N 3.04Å; D406-H409 WeakPolarHBondContact O-CB 3.46Å; D406-H409 PolarHBondContact O-N 3.23Å; D406-H409 VanDerWaalsContact O-N 3.1Å; D406-F410 WeakPolarHBondContact O-CD2 3.35Å; D406-F410 PolarHBondContact O-N 3.19Å
407V95.7Very high94.5Very high0 Ų019 Ų190%010%0.096CC..Hα-helixtrans-56-34.7173.876.50000113.6L298 P300 T397 G398 L402 G405 H409 F410 M411L298-V407 HydrophobicContact CD1-CG2 4.27Å; L298-V407 HydrophobicContact CD2-CG2 3.89Å; L298-V407 HydrophobicContact CG-CG2 4.21Å; P300-V407 HydrophobicContact CB-CG2 4.04Å; T397-V407 HydrophobicContact CG2-CB 3.84Å; T397-V407 HydrophobicContact CG2-CG2 4.13Å; G398-V407 WeakPolarHBondContact O-CB 3.26Å; G398-V407 WeakPolarHBondContact O-CG1 3.38Å; G398-V407 PolarHBondContact O-N 2.88Å; G398-V407 VanDerWaalsContact O-N 3.16Å; L402-V407 HydrophobicContact CD2-CB 4.16Å; L402-V407 HydrophobicContact CD2-CG1 3.69Å; L402-V407 HydrophobicContact CD2-CG2 3.35Å; G405-V407 PolarHBondContact O-N 2.71Å; V407-H409 PolarHBondContact O-N 2.91Å; V407-F410 PolarHBondContact O-N 3.19Å; V407-M411 HydrophobicContact CG2-CG 4.46Å; V407-M411 WeakPolarHBondContact O-CG 3.28Å; V407-M411 PolarHBondContact O-N 3.02Å
408V94.6Very high94.5Very high0 Ų023.4 Ų23.40%013%0.127CC..Hα-helixtrans-61.9-37.4-179.5178.40000110.3P40 P42 G405 D406 E412P40-V408 HydrophobicContact CB-CG1 3.8Å; P40-V408 HydrophobicContact CB-CG2 4.27Å; P42-V408 HydrophobicContact CB-CG1 4.35Å; G405-V408 PolarHBondContact O-N 3.46Å; D406-V408 PolarHBondContact O-N 3.04Å; V408-E412 WeakPolarHBondContact O-CG 3.38Å; V408-E412 PolarHBondContact O-N 2.82Å
409H92.7Very high94.6Very high30 Ų3027.9 Ų27.914%0.13915%0.15CC..Hα-helixtrans-65.1-46.6176.7175.888.3000111.4I47 I381 D406 V407 E412 L413I47-H409 WeakPolarHBondContact CD1-CE1 3.35Å; I381-H409 HydrophobicContact CD1-CB 3.9Å; D406-H409 WeakPolarHBondContact O-CB 3.46Å; D406-H409 PolarHBondContact O-N 3.23Å; D406-H409 VanDerWaalsContact O-N 3.1Å; V407-H409 PolarHBondContact O-N 2.91Å; H409-E412 PolarHBondContact O-N 2.94Å; H409-L413 WeakPolarHBondContact O-CB 3.45Å; H409-L413 PolarHBondContact O-N 3.07Å
410F94.8Very high94.7Very high1 Ų127.7 Ų27.70%0.00415%0.149CC..Hα-helixtrans-67.2-36.1178.9-69.3-70.7000112.7L298 I331 I381 F385 F389 V395 T397 D406 V407 E412 L413 W414L298-F410 HydrophobicContact CD1-CB 3.73Å; L298-F410 HydrophobicContact CD1-CD2 4.19Å; L298-F410 HydrophobicContact CD1-CG 4.08Å; L298-F410 HydrophobicContact CD2-CB 3.73Å; L298-F410 HydrophobicContact CG-CB 4.37Å; I331-F410 HydrophobicContact CD1-CE2 3.72Å; I331-F410 HydrophobicContact CD1-CZ 3.68Å; I381-F410 HydrophobicContact CG2-CE2 3.63Å; I381-F410 HydrophobicContact CG2-CZ 3.76Å; F385-F410 HydrophobicContact CE1-CE1 4.41Å; F385-F410 AromaticContact CE1-CZ 3.89Å; F385-F410 HydrophobicContact CE1-CZ 3.89Å; F385-F410 HydrophobicContact CZ-CE1 4.28Å; F385-F410 AromaticContact CZ-CZ 3.79Å; F385-F410 HydrophobicContact CZ-CZ 3.79Å; F389-F410 HydrophobicContact CE2-CE1 4.43Å; V395-F410 HydrophobicContact CG1-CD2 4.22Å; V395-F410 HydrophobicContact CG1-CE2 3.85Å; V395-F410 HydrophobicContact CG1-CZ 4.11Å; V395-F410 HydrophobicContact CG2-CE1 4.46Å; V395-F410 HydrophobicContact CG2-CZ 4.44Å; T397-F410 HydrophobicContact CG2-CD2 4.04Å; T397-F410 HydrophobicContact CG2-CE2 4.38Å; D406-F410 WeakPolarHBondContact O-CD2 3.35Å; D406-F410 PolarHBondContact O-N 3.19Å; V407-F410 PolarHBondContact O-N 3.19Å; F410-E412 VanDerWaalsContact C-N 3.32Å; F410-E412 PolarHBondContact O-N 3.42Å; F410-L413 PolarHBondContact O-N 3Å; F410-W414 HydrophobicContact CB-CD2 4.45Å; F410-W414 HydrophobicContact CB-CE3 4.3Å; F410-W414 HydrophobicContact CD1-CD2 4.2Å; F410-W414 AromaticContact CD1-CE2 3.78Å; F410-W414 HydrophobicContact CD1-CE3 4.42Å; F410-W414 AromaticContact CD1-CH2 3.91Å; F410-W414 HydrophobicContact CD1-CH2 3.91Å; F410-W414 AromaticContact CD1-CZ2 3.63Å; F410-W414 HydrophobicContact CD1-CZ2 3.63Å; F410-W414 HydrophobicContact CD1-CZ3 4.28Å; F410-W414 HydrophobicContact CE1-CH2 4.26Å; F410-W414 AromaticContact CE1-CZ2 3.92Å; F410-W414 HydrophobicContact CE1-CZ2 3.92Å; F410-W414 VanDerWaalsContact O-CB 3.28Å; F410-W414 WeakPolarHBondContact O-CB 3.31Å; F410-W414 PolarHBondContact O-N 2.74Å
411M95.1Very high94.8Very high2 Ų227.8 Ų27.81%0.0115%0.149CC..Hα-helixtrans-59.4-42.9174.2-74.7-60.5-59.500112L298 L402 V407 G415 V422 L435 Y438 L441L298-M411 HydrophobicContact CD2-CG 4.04Å; L298-M411 HydrophobicContact CD2-SD 3.73Å; L402-M411 HydrophobicContact CD1-CE 4.09Å; L402-M411 HydrophobicContact CD1-CG 4.17Å; L402-M411 HydrophobicContact CD1-SD 4.07Å; L402-M411 HydrophobicContact CD2-CG 4.2Å; V407-M411 HydrophobicContact CG2-CG 4.46Å; V407-M411 WeakPolarHBondContact O-CG 3.28Å; V407-M411 PolarHBondContact O-N 3.02Å; M411-G415 VanDerWaalsContact O-CA 3.25Å; M411-G415 WeakPolarHBondContact O-CA 3.48Å; M411-G415 PolarHBondContact O-N 3.13Å; M411-V422 HydrophobicContact SD-CB 4.41Å; M411-V422 HydrophobicContact SD-CG2 4.21Å; M411-L435 HydrophobicContact CE-CD2 3.55Å; M411-Y438 HydrophobicContact CB-CD1 3.85Å; M411-Y438 HydrophobicContact CB-CE1 3.54Å; M411-Y438 HydrophobicContact CE-CD1 4.39Å; M411-Y438 HydrophobicContact CE-CD2 4.16Å; M411-Y438 HydrophobicContact CE-CG 4Å; M411-Y438 HydrophobicContact CG-CE1 4.3Å; M411-L441 HydrophobicContact CE-CD1 4.26Å; M411-L441 HydrophobicContact CE-CD2 4.01Å
412E91.7Very high95Very high25 Ų2527.8 Ų27.812%0.11715%0.149CC..Hα-helixtrans-72.1-34.1177.7-70.6-77.8158.500112.5I47 S48 L51 V408 H409 F410 Y438I47-E412 HydrophobicContact CG2-CB 4.19Å; S48-E412 WeakPolarHBondContact OG-CG 3.43Å; L51-E412 WeakPolarHBondContact CD1-OE1 3.24Å; L51-E412 WeakPolarHBondContact CG-OE1 3.5Å; V408-E412 WeakPolarHBondContact O-CG 3.38Å; V408-E412 PolarHBondContact O-N 2.82Å; H409-E412 PolarHBondContact O-N 2.94Å; F410-E412 VanDerWaalsContact C-N 3.32Å; F410-E412 PolarHBondContact O-N 3.42Å; E412-Y438 HydrophobicContact CG-CE1 4.4Å
413L91.9Very high95Very high83 Ų8327.8 Ų27.844%0.43515%0.149SC..Hα-helixtrans-74.4-45.2179.3-174.764.1000112.5H409 F410H409-L413 WeakPolarHBondContact O-CB 3.45Å; H409-L413 PolarHBondContact O-N 3.07Å; F410-L413 PolarHBondContact O-N 3Å
414W95Very high95.2Very high5 Ų528.1 Ų28.12%0.01915%0.151CC..Hα-helixtrans-97.8-17.3-170.9-65.6-10.3000113.7N296 L298 F389 V395 F410 K416 S417 N420 M443N296-W414 HydrophobicContact CB-CD2 4.04Å; N296-W414 HydrophobicContact CB-CE3 3.93Å; N296-W414 HydrophobicContact CB-CH2 3.64Å; N296-W414 HydrophobicContact CB-CZ2 3.74Å; N296-W414 HydrophobicContact CB-CZ3 3.74Å; L298-W414 HydrophobicContact CB-CE3 3.88Å; L298-W414 HydrophobicContact CB-CZ3 3.76Å; L298-W414 HydrophobicContact CD1-CZ3 4.14Å; L298-W414 HydrophobicContact CG-CZ3 4.47Å; F389-W414 HydrophobicContact CE2-CZ2 4.22Å; F389-W414 AromaticContact CZ-CZ2 3.97Å; F389-W414 HydrophobicContact CZ-CZ2 3.97Å; V395-W414 HydrophobicContact CB-CH2 4.06Å; V395-W414 HydrophobicContact CB-CZ3 4.41Å; V395-W414 HydrophobicContact CG2-CH2 3.56Å; V395-W414 HydrophobicContact CG2-CZ2 4.38Å; V395-W414 HydrophobicContact CG2-CZ3 4.38Å; F410-W414 HydrophobicContact CB-CD2 4.45Å; F410-W414 HydrophobicContact CB-CE3 4.3Å; F410-W414 HydrophobicContact CD1-CD2 4.2Å; F410-W414 AromaticContact CD1-CE2 3.78Å; F410-W414 HydrophobicContact CD1-CE3 4.42Å; F410-W414 AromaticContact CD1-CH2 3.91Å; F410-W414 HydrophobicContact CD1-CH2 3.91Å; F410-W414 AromaticContact CD1-CZ2 3.63Å; F410-W414 HydrophobicContact CD1-CZ2 3.63Å; F410-W414 HydrophobicContact CD1-CZ3 4.28Å; F410-W414 HydrophobicContact CE1-CH2 4.26Å; F410-W414 AromaticContact CE1-CZ2 3.92Å; F410-W414 HydrophobicContact CE1-CZ2 3.92Å; F410-W414 VanDerWaalsContact O-CB 3.28Å; F410-W414 WeakPolarHBondContact O-CB 3.31Å; F410-W414 PolarHBondContact O-N 2.74Å; W414-K416 PolarHBondContact O-N 2.93Å; W414-K416 VanDerWaalsContact O-N 3.08Å; W414-S417 PolarHBondContact O-N 3.49Å; W414-S417 VanDerWaalsContact O-N 3.15Å; W414-N420 HydrophobicContact CB-CB 4.08Å; W414-N420 VanDerWaalsContact CB-ND2 3.33Å; W414-N420 WeakPolarHBondContact CB-ND2 3.48Å; W414-N420 PolarHBondContact O-ND2 2.87Å; W414-M443 HydrophobicContact CB-CE 4.08Å; W414-M443 HydrophobicContact CB-SD 4.06Å; W414-M443 HydrophobicContact CE3-CE 4.13Å
415G93.4Very high95.3Very high7 Ų728.1 Ų28.17%0.07215%0.151CC..THydrogen-bonded Turntrans-59.7-22.6-17300000116M411 L441 A442 M443M411-G415 VanDerWaalsContact O-CA 3.25Å; M411-G415 WeakPolarHBondContact O-CA 3.48Å; M411-G415 PolarHBondContact O-N 3.13Å; G415-L441 VanDerWaalsContact CA-CD1 3.4Å; G415-L441 WeakPolarHBondContact O-CD1 3.14Å; G415-A442 PolarHBondContact O-N 3.04Å; G415-M443 PolarHBondContact O-N 3.35Å
416K91.4Very high95.3Very high182 Ų18228.7 Ų28.779%0.79115%0.153SC*.THydrogen-bonded Turntrans-86-10.8-178.2-61.7179.4-173.6170.60114.2W414W414-K416 PolarHBondContact O-N 2.93Å; W414-K416 VanDerWaalsContact O-N 3.08Å
417S95.7Very high95.2Very high41 Ų4129.1 Ų29.129%0.28716%0.156SC..  trans-108.6125.1-177.2177.90000110.8W414 L419 N420 M443W414-S417 PolarHBondContact O-N 3.49Å; W414-S417 VanDerWaalsContact O-N 3.15Å; S417-L419 PolarHBondContact O-N 3.15Å; S417-L419 WeakPolarHBondContact OG-CB 3.42Å; S417-L419 PolarHBondContact OG-N 3.15Å; S417-N420 PolarHBondContact O-N 2.83Å; S417-M443 WeakPolarHBondContact O-CA 3.39Å
418S96.6Very high95Very high93 Ų9330 Ų3065%0.6516%0.16SC*.THydrogen-bonded Turntrans-72.6-7.1173.860.60000113.7N420 A442S418-N420 VanDerWaalsContact C-N 3.33Å; S418-A442 WeakPolarHBondContact CA-O 3.46Å
419L96.8Very high94.9Very high95 Ų9530.2 Ų30.250%0.49716%0.161SC..THydrogen-bonded Turntrans-73.6-28.5172.4-63.8175.8000111.6T290 G295 S417T290-L419 WeakPolarHBondContact CG2-O 3.44Å; G295-L419 VanDerWaalsContact CA-O 3.29Å; G295-L419 WeakPolarHBondContact CA-O 3.31Å; S417-L419 PolarHBondContact O-N 3.15Å; S417-L419 WeakPolarHBondContact OG-CB 3.42Å; S417-L419 PolarHBondContact OG-N 3.15Å
420N98.2Very high94.9Very high11 Ų1131.1 Ų31.16%0.05917%0.171CC..  trans-86.7153-177.5-57.9-40.8000111N296 W414 S417 S418 M443 K444N296-N420 WeakPolarHBondContact CB-OD1 3.41Å; N296-N420 PolarHBondContact N-OD1 3.28Å; N296-N420 PolarHBondContact ND2-OD1 3.25Å; N296-N420 VanDerWaalsContact O-CA 3.31Å; N296-N420 WeakPolarHBondContact O-CA 3.25Å; W414-N420 HydrophobicContact CB-CB 4.08Å; W414-N420 VanDerWaalsContact CB-ND2 3.33Å; W414-N420 WeakPolarHBondContact CB-ND2 3.48Å; W414-N420 PolarHBondContact O-ND2 2.87Å; S417-N420 PolarHBondContact O-N 2.83Å; S418-N420 VanDerWaalsContact C-N 3.33Å; N420-M443 HydrophobicContact CB-CE 3.94Å; N420-M443 HydrophobicContact CB-CG 4.03Å; N420-M443 HydrophobicContact CB-SD 4.37Å; N420-M443 VanDerWaalsContact O-CG 3.29Å; N420-M443 WeakPolarHBondContact O-CG 3.22Å; N420-K444 PolarHBondContact O-N 3.39Å
421T98.6Very high94.8Very high3 Ų334.3 Ų34.32%0.01818%0.184CC..EExtended strand (participates in β ladder)trans-129.3133.8178-57.20000110.8T290 N296 V297 L298 I423 M443 K444 V446T290-T421 WeakPolarHBondContact CG2-OG1 3.28Å; T290-T421 WeakPolarHBondContact OG1-CB 3.44Å; T290-T421 PolarHBondContact OG1-OG1 3.23Å; N296-T421 PolarHBondContact O-N 3.05Å; V297-T421 WeakPolarHBondContact CA-O 3.48Å; L298-T421 PolarHBondContact N-O 3.5Å; T421-I423 HydrophobicContact CG2-CD1 4.38Å; T421-I423 HydrophobicContact CG2-CG1 3.74Å; T421-M443 WeakPolarHBondContact O-CE 3.26Å; T421-K444 CarbonylContact C-O 3.55Å; T421-K444 VanDerWaalsContact CA-O 3.27Å; T421-K444 WeakPolarHBondContact CA-O 3.25Å; T421-K444 HydrophobicContact CG2-CB 4.24Å; T421-K444 HydrophobicContact CG2-CD 4.36Å; T421-K444 HydrophobicContact CG2-CG 4.31Å; T421-V446 HydrophobicContact CG2-CB 4.4Å; T421-V446 HydrophobicContact CG2-CG2 3.73Å
422V98.6Very high94.8Very high0 Ų038.9 Ų38.90%021%0.208CC..EExtended strand (participates in β ladder)trans-100.8127.1165.858.60000108.4L298 P300 M411 F424 L435 M443 K444 C445 V446L298-V422 HydrophobicContact CB-CB 4.47Å; L298-V422 HydrophobicContact CB-CG2 4.43Å; L298-V422 HydrophobicContact CD2-CG2 4.46Å; L298-V422 CarbonylContact O-C 3.49Å; L298-V422 WeakPolarHBondContact O-CA 3.48Å; P300-V422 HydrophobicContact CG-CG2 3.99Å; M411-V422 HydrophobicContact SD-CB 4.41Å; M411-V422 HydrophobicContact SD-CG2 4.21Å; V422-F424 HydrophobicContact CB-CE2 4.45Å; V422-F424 HydrophobicContact CG1-CE2 3.93Å; V422-F424 HydrophobicContact CG2-CD2 4.14Å; V422-F424 HydrophobicContact CG2-CE2 3.71Å; V422-F424 HydrophobicContact CG2-CZ 4.16Å; V422-L435 HydrophobicContact CG1-CD2 4.35Å; V422-M443 HydrophobicContact CB-CE 3.81Å; V422-M443 HydrophobicContact CB-SD 4.26Å; V422-M443 HydrophobicContact CG1-SD 4.45Å; V422-K444 PolarHBondContact N-O 2.59Å; V422-C445 HydrophobicContact CG1-CB 4.13Å; V422-C445 VanDerWaalsContact CG1-SG 3.6Å; V422-V446 PolarHBondContact O-N 3.36Å
423I98.3Very high95Very high0 Ų040 Ų400%021%0.214CC..EExtended strand (participates in β ladder)trans-119111.2-178.7-47.7178.9000109.3F283 N286 L287 V297 L298 P300 T421 V446 C448F283-I423 HydrophobicContact CD2-CB 4.35Å; F283-I423 HydrophobicContact CD2-CD1 4.37Å; F283-I423 HydrophobicContact CD2-CG2 3.69Å; F283-I423 HydrophobicContact CE2-CB 4.48Å; F283-I423 HydrophobicContact CE2-CD1 4.49Å; F283-I423 HydrophobicContact CE2-CG2 4.29Å; N286-I423 HydrophobicContact CB-CD1 4.15Å; L287-I423 HydrophobicContact CB-CD1 4.22Å; V297-I423 HydrophobicContact CG1-CD1 3.67Å; V297-I423 HydrophobicContact CG1-CG1 4.05Å; L298-I423 PolarHBondContact O-N 3.17Å; P300-I423 WeakPolarHBondContact CD-O 3.49Å; T421-I423 HydrophobicContact CG2-CD1 4.38Å; T421-I423 HydrophobicContact CG2-CG1 3.74Å; I423-V446 WeakPolarHBondContact CA-O 3.16Å; I423-V446 HydrophobicContact CG1-CB 4.23Å; I423-V446 HydrophobicContact CG2-CB 4.23Å; I423-V446 HydrophobicContact CG2-CG1 4.17Å; I423-C448 HydrophobicContact CG2-CB 4.31Å
424F97.8Very high95.1Very high8 Ų836 Ų364%0.03519%0.193CC..EExtended strand (participates in β ladder)trans-86.9127.7178.6-70.8-96.7000110.5P300 L402 V422 Y431 A434 L435 V446 Y447 C448P300-F424 HydrophobicContact CG-CD1 3.68Å; P300-F424 HydrophobicContact CG-CE1 3.84Å; P300-F424 HydrophobicContact CG-CG 4.09Å; P300-F424 HydrophobicContact CG-CZ 4.38Å; L402-F424 HydrophobicContact CD1-CE1 3.92Å; L402-F424 HydrophobicContact CD1-CZ 3.56Å; L402-F424 HydrophobicContact CG-CE1 4.09Å; L402-F424 HydrophobicContact CG-CZ 4.25Å; V422-F424 HydrophobicContact CB-CE2 4.45Å; V422-F424 HydrophobicContact CG1-CE2 3.93Å; V422-F424 HydrophobicContact CG2-CD2 4.14Å; V422-F424 HydrophobicContact CG2-CE2 3.71Å; V422-F424 HydrophobicContact CG2-CZ 4.16Å; F424-Y431 HydrophobicContact CD2-CD2 4.42Å; F424-Y431 HydrophobicContact CE2-CD2 4.5Å; F424-A434 HydrophobicContact CE1-CB 4.06Å; F424-A434 HydrophobicContact CZ-CB 4.44Å; F424-L435 HydrophobicContact CE2-CD1 3.91Å; F424-L435 HydrophobicContact CE2-CD2 3.96Å; F424-L435 HydrophobicContact CE2-CG 3.93Å; F424-L435 HydrophobicContact CZ-CD1 4.25Å; F424-L435 HydrophobicContact CZ-CD2 3.79Å; F424-L435 HydrophobicContact CZ-CG 3.76Å; F424-V446 PolarHBondContact N-O 3.49Å; F424-Y447 HydrophobicContact CB-CD2 3.78Å; F424-Y447 HydrophobicContact CB-CE2 4.44Å; F424-C448 CarbonylContact O-C 3.41Å; F424-C448 PolarHBondContact O-N 3.23Å
425T95.9Very high95.2Very high0 Ų036 Ų360%019%0.194CC..  trans-111.3-24.2-179.555.50000113.5F283 V299 L310 C448 P449 I450F283-T425 HydrophobicContact CD2-CG2 3.94Å; F283-T425 HydrophobicContact CE2-CG2 4.12Å; V299-T425 HydrophobicContact CG1-CG2 4.08Å; L310-T425 HydrophobicContact CD1-CG2 4.01Å; L310-T425 HydrophobicContact CD2-CG2 4.31Å; T425-C448 WeakPolarHBondContact CA-O 3.37Å; T425-P449 CarbonylContact O-C 3.56Å; T425-P449 WeakPolarHBondContact O-CA 3.29Å; T425-I450 HydrophobicContact CG2-CD1 4.08Å; T425-I450 PolarHBondContact O-N 3.19Å
426E94Very high95.3Very high16 Ų1636 Ų368%0.07519%0.194CC..  trans-87.8133.1-177-56.5-58152.200111.5Y302 P400Y302-E426 HydrophobicContact CD2-CG 3.81Å; Y302-E426 HydrophobicContact CE2-CB 4.28Å; Y302-E426 HydrophobicContact CE2-CG 3.87Å; P400-E426 HydrophobicContact CB-CB 4.12Å; P400-E426 HydrophobicContact CB-CG 4.07Å; P400-E426 HydrophobicContact CG-CB 4.25Å; P400-E426 HydrophobicContact CG-CG 3.67Å
427P92.5Very high95.4Very high10 Ų1027.4 Ų27.47%0.06516%0.156CC..SBendtrans-81.5-15.5177.735.5-39.2000113.6Q270 M271 F429 P449 D451Q270-P427 HydrophobicContact CB-CB 4.34Å; Q270-P427 PolarHBondContact OE1-O 3.49Å; Q270-P427 VanDerWaalsContact OE1-O 3.09Å; M271-P427 HydrophobicContact CG-CB 4.01Å; P427-F429 PolarHBondContact O-N 3.09Å; P427-P449 HydrophobicContact CB-CB 4.44Å; P427-D451 HydrophobicContact CG-CB 3.99Å
428D91.4Very high95.3Very high17 Ų1725.9 Ų25.99%0.09114%0.144CC..SBendtrans-62.5-20.5-170.5-67.6-25.1000114.1Y302 R453Y302-D428 VanDerWaalsContact CE2-OD2 3.3Å; Y302-D428 WeakPolarHBondContact CE2-OD2 3.19Å; Y302-D428 PolarHBondContact OH-OD2 3.4Å; D428-R453 IonicContact OD1-NH1 3.36Å
429F92.5Very high95.1Very high5 Ų524.9 Ų24.92%0.02213%0.129CC..SBendtrans-124.9135.8177.9-59.2-84000110.6T32 V35 L36 Y302 H399 P400 P427 Y431T32-F429 WeakPolarHBondContact OG1-CZ 3.5Å; V35-F429 HydrophobicContact CG2-CE1 4.22Å; L36-F429 HydrophobicContact CD1-CB 4.5Å; L36-F429 HydrophobicContact CD1-CD1 3.93Å; L36-F429 HydrophobicContact CD2-CD1 3.98Å; L36-F429 HydrophobicContact CG-CD1 3.9Å; Y302-F429 WeakPolarHBondContact OH-CE2 3.39Å; H399-F429 AromaticContact CE1-CE2 3.67Å; H399-F429 AromaticContact CE1-CZ 3.67Å; P400-F429 HydrophobicContact CB-CD2 3.72Å; P400-F429 HydrophobicContact CB-CE2 3.97Å; P427-F429 PolarHBondContact O-N 3.09Å; F429-Y431 PolarHBondContact O-N 3.43Å; F429-Y431 VanDerWaalsContact O-N 3.07Å
430S92.7Very high94.8Very high50 Ų5026.4 Ų26.435%0.3515%0.145SC..  trans-60.7112.8165.1165.80000109.5L432 D433 A434S430-L432 PolarHBondContact O-N 3.24Å; S430-D433 WeakPolarHBondContact CB-OD2 3.32Å; S430-D433 PolarHBondContact O-N 2.9Å; S430-D433 PolarHBondContact OG-N 3.01Å; S430-D433 PolarHBondContact OG-OD2 3.32Å; S430-A434 PolarHBondContact O-N 3.33Å
431Y93.9Very high94.6Very high68 Ų6827.4 Ų27.427%0.26715%0.15SC..Hα-helixtrans-60.5-32.3-177.981-83000112F424 F429 A434 L435 Y447F424-Y431 HydrophobicContact CD2-CD2 4.42Å; F424-Y431 HydrophobicContact CE2-CD2 4.5Å; F429-Y431 PolarHBondContact O-N 3.43Å; F429-Y431 VanDerWaalsContact O-N 3.07Å; Y431-A434 PolarHBondContact O-N 3.1Å; Y431-L435 HydrophobicContact CD2-CD1 3.91Å; Y431-L435 HydrophobicContact CE2-CD1 4.47Å; Y431-L435 WeakPolarHBondContact O-CB 3.12Å; Y431-L435 WeakPolarHBondContact O-CG 3.5Å; Y431-L435 PolarHBondContact O-N 3.22Å; Y431-Y447 AromaticContact CD1-CD1 3.79Å; Y431-Y447 HydrophobicContact CD1-CD1 3.79Å; Y431-Y447 AromaticContact CD1-CD2 3.8Å; Y431-Y447 HydrophobicContact CD1-CD2 3.8Å; Y431-Y447 HydrophobicContact CD1-CE1 4.25Å; Y431-Y447 HydrophobicContact CD1-CE2 4.27Å; Y431-Y447 AromaticContact CD1-CG 3.53Å; Y431-Y447 HydrophobicContact CD1-CG 3.53Å; Y431-Y447 AromaticContact CE1-CD1 3.84Å; Y431-Y447 HydrophobicContact CE1-CD1 3.84Å; Y431-Y447 AromaticContact CE1-CG 3.86Å; Y431-Y447 HydrophobicContact CE1-CG 3.86Å; Y431-Y447 HydrophobicContact CG-CD2 4.08Å; Y431-Y447 HydrophobicContact CG-CG 4.08Å
432L94.4Very high94.4Very high98 Ų9829.8 Ų29.851%0.51317%0.17SC..Hα-helixtrans-65.1-41175.3-66.7176.1000111.7S430 L435 A436S430-L432 PolarHBondContact O-N 3.24Å; L432-L435 PolarHBondContact O-N 3.09Å; L432-A436 PolarHBondContact O-N 3.22Å; L432-A436 VanDerWaalsContact O-N 3.08Å
433D94.6Very high94.3Very high47 Ų4730 Ų3025%0.25117%0.171SC..Hα-helixtrans-73.6-34.5178.2-59-35.9000111.6L36 R76 R403 S430 L435 A436L36-D433 HydrophobicContact CD1-CB 4.02Å; R76-D433 IonicContact CZ-OD1 3.55Å; R76-D433 IonicContact NH1-OD1 2.61Å; R76-D433 PolarHBondContact NH1-OD1 3.4Å; R76-D433 IonicContact NH2-OD1 3.35Å; R76-D433 PolarHBondContact NH2-OD1 2.92Å; R403-D433 PolarHBondContact NH2-O 3.19Å; S430-D433 WeakPolarHBondContact CB-OD2 3.32Å; S430-D433 PolarHBondContact O-N 2.9Å; S430-D433 PolarHBondContact OG-N 3.01Å; S430-D433 PolarHBondContact OG-OD2 3.32Å; D433-L435 VanDerWaalsContact C-N 3.35Å; D433-A436 PolarHBondContact O-N 3.45Å
434A96Very high94.3Very high0 Ų034.4 Ų34.40%019%0.19CC..Hα-helixtrans-61.6-42171.200000111.6L36 L402 R403 F424 S430 Y431 P437L36-A434 HydrophobicContact CD2-CB 4.2Å; L402-A434 HydrophobicContact CD1-CB 4.27Å; L402-A434 HydrophobicContact CG-CB 4.25Å; R403-A434 PolarHBondContact NH1-O 3.24Å; F424-A434 HydrophobicContact CE1-CB 4.06Å; F424-A434 HydrophobicContact CZ-CB 4.44Å; S430-A434 PolarHBondContact O-N 3.33Å; Y431-A434 PolarHBondContact O-N 3.1Å; A434-P437 WeakPolarHBondContact O-CD 3.43Å
435L96.1Very high94.3Very high4 Ų436.2 Ų36.22%0.02120%0.204CC..Hα-helixtrans-78.4-16.1-180-69.7171.2000114.5L402 M411 V422 F424 Y431 L432 D433 Y438 L441 C445L402-L435 HydrophobicContact CD1-CD2 3.9Å; M411-L435 HydrophobicContact CE-CD2 3.55Å; V422-L435 HydrophobicContact CG1-CD2 4.35Å; F424-L435 HydrophobicContact CE2-CD1 3.91Å; F424-L435 HydrophobicContact CE2-CD2 3.96Å; F424-L435 HydrophobicContact CE2-CG 3.93Å; F424-L435 HydrophobicContact CZ-CD1 4.25Å; F424-L435 HydrophobicContact CZ-CD2 3.79Å; F424-L435 HydrophobicContact CZ-CG 3.76Å; Y431-L435 HydrophobicContact CD2-CD1 3.91Å; Y431-L435 HydrophobicContact CE2-CD1 4.47Å; Y431-L435 WeakPolarHBondContact O-CB 3.12Å; Y431-L435 WeakPolarHBondContact O-CG 3.5Å; Y431-L435 PolarHBondContact O-N 3.22Å; L432-L435 PolarHBondContact O-N 3.09Å; D433-L435 VanDerWaalsContact C-N 3.35Å; L435-Y438 WeakPolarHBondContact O-CB 3.44Å; L435-Y438 PolarHBondContact O-N 3.36Å; L435-L441 HydrophobicContact CD2-CD2 3.81Å; L435-C445 HydrophobicContact CD1-CB 3.92Å; L435-C445 VanDerWaalsContact CD1-SG 3.53Å
436A95.3Very high94.3Very high9 Ų937 Ų377%0.07421%0.208CC..G310 helixtrans-55.1-40.8-172.600000114.7F78 L432 D433 Y438 Q439F78-A436 HydrophobicContact CE1-CB 4.43Å; F78-A436 HydrophobicContact CZ-CB 3.74Å; L432-A436 PolarHBondContact O-N 3.22Å; L432-A436 VanDerWaalsContact O-N 3.08Å; D433-A436 PolarHBondContact O-N 3.45Å; A436-Y438 PolarHBondContact O-N 3.43Å; A436-Q439 PolarHBondContact O-N 2.93Å
437P94.3Very high94.4Very high0 Ų038.9 Ų38.90%022%0.215CC..G310 helixtrans-66.9-16.7175.4-20.933.6000114L39 P40 R50 F78 R403 A434L39-P437 HydrophobicContact CD2-CB 4.47Å; P40-P437 HydrophobicContact CG-CB 3.79Å; P40-P437 HydrophobicContact CG-CG 4.17Å; R50-P437 PolarHBondContact NH1-O 2.71Å; R50-P437 PolarHBondContact NH2-O 2.79Å; F78-P437 HydrophobicContact CD1-CG 4.15Å; F78-P437 HydrophobicContact CE1-CG 3.69Å; F78-P437 HydrophobicContact CE2-CG 4.43Å; F78-P437 HydrophobicContact CZ-CG 3.84Å; R403-P437 VanDerWaalsContact CZ-CG 3.44Å; A434-P437 WeakPolarHBondContact O-CD 3.43Å
438Y93.6Very high94.6Very high10 Ų1038.4 Ų38.44%0.03921%0.212CC..G310 helixtrans-96.11.6-174.9-60.2-81.7000113.4P40 L402 M411 E412 L435 A436 P440P40-Y438 WeakPolarHBondContact CB-OH 3.44Å; P40-Y438 HydrophobicContact CG-CE1 4.26Å; P40-Y438 HydrophobicContact CG-CE2 3.96Å; P40-Y438 WeakPolarHBondContact CG-OH 3.48Å; L402-Y438 HydrophobicContact CB-CE2 3.73Å; L402-Y438 HydrophobicContact CD1-CD2 4.4Å; L402-Y438 HydrophobicContact CD1-CE2 4.09Å; L402-Y438 PolarHBondContact O-OH 2.98Å; M411-Y438 HydrophobicContact CB-CD1 3.85Å; M411-Y438 HydrophobicContact CB-CE1 3.54Å; M411-Y438 HydrophobicContact CE-CD1 4.39Å; M411-Y438 HydrophobicContact CE-CD2 4.16Å; M411-Y438 HydrophobicContact CE-CG 4Å; M411-Y438 HydrophobicContact CG-CE1 4.3Å; E412-Y438 HydrophobicContact CG-CE1 4.4Å; L435-Y438 WeakPolarHBondContact O-CB 3.44Å; L435-Y438 PolarHBondContact O-N 3.36Å; A436-Y438 PolarHBondContact O-N 3.43Å; Y438-P440 CarbonylContact O-C 3.6Å
439Q91.6Very high94.8Very high71 Ų7137.8 Ų37.833%0.33221%0.209SC..  trans-72.7145.9179.3-63.6-59.2-33.500112.4R50 A74 A436R50-Q439 PolarHBondContact NH1-O 3.25Å; A74-Q439 HydrophobicContact CB-CB 3.93Å; A436-Q439 PolarHBondContact O-N 2.93Å
440P91.4Very high94.9Very high128 Ų12837.8 Ų37.883%0.83121%0.209SC*.SBendcis-72.5138.5-7.831.2-34.5000111.9Y438Y438-P440 CarbonylContact O-C 3.6Å
441L92.8Very high94.9Very high32 Ų3236 Ų3617%0.16820%0.195CC..  trans-117.7126.1-176.9-170.270.5000110.9M411 G415 L435 M443 C445M411-L441 HydrophobicContact CE-CD1 4.26Å; M411-L441 HydrophobicContact CE-CD2 4.01Å; G415-L441 VanDerWaalsContact CA-CD1 3.4Å; G415-L441 WeakPolarHBondContact O-CD1 3.14Å; L435-L441 HydrophobicContact CD2-CD2 3.81Å; L441-M443 HydrophobicContact CD1-CB 4.17Å; L441-M443 HydrophobicContact CD2-CB 4.44Å; L441-M443 HydrophobicContact CG-CB 4.05Å; L441-C445 VanDerWaalsContact CD2-SG 3.54Å
442A95.4Very high94.9Very high53 Ų5333.2 Ų33.244%0.43819%0.185SC..  trans-90.9-25.5177.600000112.7G415 S418G415-A442 PolarHBondContact O-N 3.04Å; S418-A442 WeakPolarHBondContact CA-O 3.46Å
443M96.3Very high95Very high5 Ų529 Ų293%0.02516%0.163CC..SBendtrans-56.9135.2175.2-176.9175.1-168.700111.4L298 W414 G415 S417 N420 T421 V422 L441 C445L298-M443 HydrophobicContact CB-CE 3.84Å; L298-M443 HydrophobicContact CD2-CE 4.41Å; W414-M443 HydrophobicContact CB-CE 4.08Å; W414-M443 HydrophobicContact CB-SD 4.06Å; W414-M443 HydrophobicContact CE3-CE 4.13Å; G415-M443 PolarHBondContact O-N 3.35Å; S417-M443 WeakPolarHBondContact O-CA 3.39Å; N420-M443 HydrophobicContact CB-CE 3.94Å; N420-M443 HydrophobicContact CB-CG 4.03Å; N420-M443 HydrophobicContact CB-SD 4.37Å; N420-M443 VanDerWaalsContact O-CG 3.29Å; N420-M443 WeakPolarHBondContact O-CG 3.22Å; T421-M443 WeakPolarHBondContact O-CE 3.26Å; V422-M443 HydrophobicContact CB-CE 3.81Å; V422-M443 HydrophobicContact CB-SD 4.26Å; V422-M443 HydrophobicContact CG1-SD 4.45Å; L441-M443 HydrophobicContact CD1-CB 4.17Å; L441-M443 HydrophobicContact CD2-CB 4.44Å; L441-M443 HydrophobicContact CG-CB 4.05Å; M443-C445 PolarHBondContact O-N 2.86Å; M443-C445 PolarHBondContact O-SG 3.04Å
444K97.6Very high95Very high91 Ų9126.9 Ų26.940%0.39615%0.151SC..EExtended strand (participates in β ladder)trans-66.2135.5177.8-175.1-176.6173.9-166.20109.2N286 N420 T421 V422 V446N286-K444 PolarHBondContact OD1-NZ 2.96Å; N420-K444 PolarHBondContact O-N 3.39Å; T421-K444 CarbonylContact C-O 3.55Å; T421-K444 VanDerWaalsContact CA-O 3.27Å; T421-K444 WeakPolarHBondContact CA-O 3.25Å; T421-K444 HydrophobicContact CG2-CB 4.24Å; T421-K444 HydrophobicContact CG2-CD 4.36Å; T421-K444 HydrophobicContact CG2-CG 4.31Å; V422-K444 PolarHBondContact N-O 2.59Å; K444-V446 HydrophobicContact CD-CG2 4.37Å; K444-V446 HydrophobicContact CG-CG2 4.36Å
445C97.5Very high94.9Very high47 Ų4729.2 Ų29.232%0.31816%0.164SC..EExtended strand (participates in β ladder)trans-113.8128.8177.9-600000109.5V422 L435 L441 M443V422-C445 HydrophobicContact CG1-CB 4.13Å; V422-C445 VanDerWaalsContact CG1-SG 3.6Å; L435-C445 HydrophobicContact CD1-CB 3.92Å; L435-C445 VanDerWaalsContact CD1-SG 3.53Å; L441-C445 VanDerWaalsContact CD2-SG 3.54Å; M443-C445 PolarHBondContact O-N 2.86Å; M443-C445 PolarHBondContact O-SG 3.04Å
446V97.4Very high94.7Very high16 Ų1629.8 Ų29.810%0.09717%0.166CC..EExtended strand (participates in β ladder)trans-126.6138.1177.7-179.90000108.4N286 T421 V422 I423 F424 K444 C448N286-V446 HydrophobicContact CB-CG1 4.36Å; N286-V446 HydrophobicContact CB-CG2 4.38Å; T421-V446 HydrophobicContact CG2-CB 4.4Å; T421-V446 HydrophobicContact CG2-CG2 3.73Å; V422-V446 PolarHBondContact O-N 3.36Å; I423-V446 WeakPolarHBondContact CA-O 3.16Å; I423-V446 HydrophobicContact CG1-CB 4.23Å; I423-V446 HydrophobicContact CG2-CB 4.23Å; I423-V446 HydrophobicContact CG2-CG1 4.17Å; F424-V446 PolarHBondContact N-O 3.49Å; K444-V446 HydrophobicContact CD-CG2 4.37Å; K444-V446 HydrophobicContact CG-CG2 4.36Å; V446-C448 VanDerWaalsContact CG1-SG 3.51Å
447Y96.4Very high94.5Very high56 Ų5636.5 Ų36.522%0.2220%0.196CC..EExtended strand (participates in β ladder)trans-118.5110.8177.4-178.8-127.8000108.9M271 F424 Y431 P449M271-Y447 HydrophobicContact CE-CE1 4.01Å; M271-Y447 HydrophobicContact SD-CE1 4.37Å; F424-Y447 HydrophobicContact CB-CD2 3.78Å; F424-Y447 HydrophobicContact CB-CE2 4.44Å; Y431-Y447 AromaticContact CD1-CD1 3.79Å; Y431-Y447 HydrophobicContact CD1-CD1 3.79Å; Y431-Y447 AromaticContact CD1-CD2 3.8Å; Y431-Y447 HydrophobicContact CD1-CD2 3.8Å; Y431-Y447 HydrophobicContact CD1-CE1 4.25Å; Y431-Y447 HydrophobicContact CD1-CE2 4.27Å; Y431-Y447 AromaticContact CD1-CG 3.53Å; Y431-Y447 HydrophobicContact CD1-CG 3.53Å; Y431-Y447 AromaticContact CE1-CD1 3.84Å; Y431-Y447 HydrophobicContact CE1-CD1 3.84Å; Y431-Y447 AromaticContact CE1-CG 3.86Å; Y431-Y447 HydrophobicContact CE1-CG 3.86Å; Y431-Y447 HydrophobicContact CG-CD2 4.08Å; Y431-Y447 HydrophobicContact CG-CG 4.08Å; Y447-P449 HydrophobicContact CD1-CG 4.18Å; Y447-P449 HydrophobicContact CE1-CB 4.16Å; Y447-P449 HydrophobicContact CE1-CG 3.66Å; Y447-P449 HydrophobicContact CE2-CB 3.89Å; Y447-P449 HydrophobicContact CE2-CG 4.19Å
448C96.4Very high94.5Very high0 Ų038.2 Ų38.20%020%0.204CC..  trans-125.371.7179.6-64.20000108.3M279 F283 I423 F424 T425 V446 I450M279-C448 HydrophobicContact CB-CB 4.5Å; F283-C448 HydrophobicContact CB-CB 4.23Å; I423-C448 HydrophobicContact CG2-CB 4.31Å; F424-C448 CarbonylContact O-C 3.41Å; F424-C448 PolarHBondContact O-N 3.23Å; T425-C448 WeakPolarHBondContact CA-O 3.37Å; V446-C448 VanDerWaalsContact CG1-SG 3.51Å; C448-I450 PolarHBondContact O-N 3.28Å
449P95.3Very high94.5Very high4 Ų437.8 Ų37.83%0.02620%0.202CC..  trans-64.7126.1-175.426.3-33.5000111.4M271 A274 M279 T425 P427 Y447M271-P449 HydrophobicContact CB-CB 4.41Å; M271-P449 HydrophobicContact CB-CG 4.35Å; M271-P449 HydrophobicContact CE-CG 4.12Å; M271-P449 HydrophobicContact CG-CB 3.88Å; M271-P449 HydrophobicContact CG-CG 4Å; A274-P449 HydrophobicContact CB-CG 4.11Å; M279-P449 WeakPolarHBondContact CG-O 3.38Å; T425-P449 CarbonylContact O-C 3.56Å; T425-P449 WeakPolarHBondContact O-CA 3.29Å; P427-P449 HydrophobicContact CB-CB 4.44Å; Y447-P449 HydrophobicContact CD1-CG 4.18Å; Y447-P449 HydrophobicContact CE1-CB 4.16Å; Y447-P449 HydrophobicContact CE1-CG 3.66Å; Y447-P449 HydrophobicContact CE2-CB 3.89Å; Y447-P449 HydrophobicContact CE2-CG 4.19Å
450I94.3Very high94.6Very high5 Ų535.8 Ų35.83%0.02620%0.196CC..  trans-111.199.7177.8-61.1161000107.3M279 L280 V306 L310 T425 C448M279-I450 HydrophobicContact CB-CG1 4.42Å; L280-I450 HydrophobicContact CD2-CD1 3.53Å; L280-I450 HydrophobicContact CD2-CG1 4.32Å; L280-I450 HydrophobicContact CG-CD1 4.07Å; L280-I450 HydrophobicContact CG-CG1 4.34Å; V306-I450 HydrophobicContact CG1-CB 3.93Å; V306-I450 HydrophobicContact CG1-CD1 4.22Å; V306-I450 HydrophobicContact CG1-CG2 3.77Å; L310-I450 HydrophobicContact CD2-CD1 3.41Å; L310-I450 VanDerWaalsContact CD2-CD1 3.41Å; L310-I450 HydrophobicContact CG-CD1 4.2Å; T425-I450 HydrophobicContact CG2-CD1 4.08Å; T425-I450 PolarHBondContact O-N 3.19Å; C448-I450 PolarHBondContact O-N 3.28Å
451D93.3Very high94.7Very high12 Ų1235.5 Ų35.56%0.06418%0.181CC..  trans-126.4111178.2-169.7-4.7000109.4T269 Q270 P276 P427 R453T269-D451 WeakPolarHBondContact CA-OD2 3.38Å; T269-D451 WeakPolarHBondContact CB-OD2 3.36Å; T269-D451 VanDerWaalsContact OG1-CG 3.23Å; T269-D451 PolarHBondContact OG1-OD2 3.41Å; Q270-D451 PolarHBondContact N-OD2 3.03Å; P276-D451 WeakPolarHBondContact CG-O 3.35Å; P427-D451 HydrophobicContact CG-CB 3.99Å; D451-R453 VanDerWaalsContact C-N 3.34Å; D451-R453 VanDerWaalsContact OD1-CB 3.26Å; D451-R453 WeakPolarHBondContact OD1-CB 3.34Å; D451-R453 WeakPolarHBondContact OD1-CD 3.44Å; D451-R453 VanDerWaalsContact OD1-CG 3.22Å; D451-R453 WeakPolarHBondContact OD1-CG 3.3Å; D451-R453 PolarHBondContact OD1-N 2.91Å; D451-R453 VanDerWaalsContact OD1-N 3.09Å
452T93.6Very high94.8Very high9 Ų934.1 Ų34.16%0.05517%0.174CC..  trans-90.70.6-178.156.80000112.8Y220 S243 L245 T247Y220-T452 WeakPolarHBondContact CD2-OG1 3.43Å; S243-T452 WeakPolarHBondContact CB-O 3.42Å; S243-T452 PolarHBondContact OG-O 2.96Å; L245-T452 HydrophobicContact CD1-CG2 4.29Å; T247-T452 HydrophobicContact CG2-CG2 4.32Å
453R95.3Very high94.8Very high11 Ų1132.1 Ų32.14%0.04216%0.156CC..SBendtrans-62.1156.5178.7-68168.7-177.5157.67.6111.6T11 Y220 S242 G267 D428 D451 N455T11-R453 VanDerWaalsContact CB-NH1 3.33Å; Y220-R453 HydrophobicContact CD2-CG 3.76Å; Y220-R453 HydrophobicContact CE1-CG 4.45Å; Y220-R453 HydrophobicContact CE2-CG 3.48Å; Y220-R453 VanDerWaalsContact CE2-CG 3.48Å; Y220-R453 HydrophobicContact CG-CG 4.38Å; Y220-R453 VanDerWaalsContact CZ-NE 3.33Å; Y220-R453 PolarHBondContact OH-NE 3.09Å; Y220-R453 VanDerWaalsContact OH-NE 3.14Å; Y220-R453 PolarHBondContact OH-NH2 3.42Å; S242-R453 CarbonylContact O-C 3.5Å; S242-R453 VanDerWaalsContact O-CA 3.25Å; S242-R453 WeakPolarHBondContact O-CA 3.47Å; G267-R453 WeakPolarHBondContact O-CB 3.48Å; G267-R453 VanDerWaalsContact O-CD 3.32Å; G267-R453 WeakPolarHBondContact O-CD 3.35Å; D428-R453 IonicContact OD1-NH1 3.36Å; D451-R453 VanDerWaalsContact C-N 3.34Å; D451-R453 VanDerWaalsContact OD1-CB 3.26Å; D451-R453 WeakPolarHBondContact OD1-CB 3.34Å; D451-R453 WeakPolarHBondContact OD1-CD 3.44Å; D451-R453 VanDerWaalsContact OD1-CG 3.22Å; D451-R453 WeakPolarHBondContact OD1-CG 3.3Å; D451-R453 PolarHBondContact OD1-N 2.91Å; D451-R453 VanDerWaalsContact OD1-N 3.09Å; R453-N455 PolarHBondContact O-N 3.24Å
454L95.1Very high94.6Very high2 Ų239.5 Ų39.51%0.0119%0.188CC..PPolyproline II helixtrans-55.5132.6178-57.3-179.7000111.8S242 L244 L268 T269 Q458 V459 L462S242-L454 WeakPolarHBondContact O-CG 3.4Å; S242-L454 PolarHBondContact O-N 2.88Å; L244-L454 HydrophobicContact CB-CD2 4.2Å; L244-L454 HydrophobicContact CD1-CD2 4.14Å; L244-L454 HydrophobicContact CG-CD2 3.62Å; L268-L454 HydrophobicContact CD2-CB 4.12Å; T269-L454 PolarHBondContact N-O 2.91Å; L454-Q458 HydrophobicContact CD2-CB 4.32Å; L454-V459 HydrophobicContact CB-CG2 3.73Å; L454-V459 HydrophobicContact CD1-CG2 4.14Å; L454-L462 HydrophobicContact CD1-CD2 3.82Å
455N93.5Very high94.4Very high48 Ų4839.6 Ų39.626%0.25719%0.19SC..PPolyproline II helixtrans-88166.3166.968.440.2000112T269 R453 H457 Q458 V459T269-N455 HydrophobicContact CG2-CB 3.84Å; R453-N455 PolarHBondContact O-N 3.24Å; N455-H457 PolarHBondContact O-N 3.13Å; N455-H457 WeakPolarHBondContact OD1-CB 3.34Å; N455-H457 PolarHBondContact OD1-N 3.13Å; N455-Q458 PolarHBondContact ND2-OE1 2.78Å; N455-Q458 PolarHBondContact O-N 3.49Å; N455-Q458 VanDerWaalsContact O-N 3.15Å; N455-Q458 WeakPolarHBondContact OD1-CB 3.38Å; N455-Q458 VanDerWaalsContact OD1-CG 3.32Å; N455-Q458 WeakPolarHBondContact OD1-CG 3.27Å; N455-Q458 PolarHBondContact OD1-N 2.91Å; N455-V459 WeakPolarHBondContact O-CG2 3.47Å; N455-V459 PolarHBondContact O-N 3.16Å
456F92.6Very high94.2Very high17 Ų1737.5 Ų37.58%0.07518%0.176CC..Hα-helixtrans-56.2-35.1-177.1-66.3-81.6000113.6L268 P272 S460 Y477 L490 L492L268-F456 HydrophobicContact CD1-CD1 4.15Å; L268-F456 HydrophobicContact CD1-CE1 3.92Å; L268-F456 HydrophobicContact CD1-CZ 4.45Å; P272-F456 HydrophobicContact CB-CD2 4.23Å; P272-F456 HydrophobicContact CB-CE2 4.42Å; P272-F456 HydrophobicContact CG-CE2 4.4Å; F456-S460 WeakPolarHBondContact O-CB 3.46Å; F456-S460 PolarHBondContact O-N 3.08Å; F456-S460 PolarHBondContact O-OG 2.94Å; F456-Y477 HydrophobicContact CE1-CD1 4.11Å; F456-Y477 HydrophobicContact CE1-CG 4.26Å; F456-Y477 HydrophobicContact CZ-CD1 4.08Å; F456-L490 HydrophobicContact CD2-CB 4.41Å; F456-L490 HydrophobicContact CD2-CD2 4.41Å; F456-L490 HydrophobicContact CE2-CB 4.43Å; F456-L490 VanDerWaalsContact CE2-O 3.31Å; F456-L490 WeakPolarHBondContact CE2-O 3.45Å; F456-L490 VanDerWaalsContact CZ-O 3.25Å; F456-L490 WeakPolarHBondContact CZ-O 3.4Å; F456-L492 HydrophobicContact CD1-CD2 3.79Å; F456-L492 HydrophobicContact CD1-CG 3.84Å; F456-L492 HydrophobicContact CE1-CG 4.2Å
457H91.6Very high94Very high149 Ų14943.2 Ų43.269%0.6920%0.201SC*.Hα-helixtrans-69.6-46.5177.1-177.279.6000112.2N455 V459 S460 K461N455-H457 PolarHBondContact O-N 3.13Å; N455-H457 WeakPolarHBondContact OD1-CB 3.34Å; N455-H457 PolarHBondContact OD1-N 3.13Å; H457-V459 VanDerWaalsContact C-N 3.34Å; H457-V459 PolarHBondContact O-N 3.32Å; H457-S460 WeakPolarHBondContact O-CB 3.31Å; H457-S460 PolarHBondContact O-N 2.97Å; H457-K461 PolarHBondContact O-N 2.64Å
458Q93.6Very high94Very high37 Ų3741.5 Ų41.517%0.17320%0.197CC..Hα-helixtrans-61.7-42.4176.4-73.8169.4-29.500111.4L244 L454 N455 S460 K461 L462L244-Q458 HydrophobicContact CD1-CB 4.29Å; L454-Q458 HydrophobicContact CD2-CB 4.32Å; N455-Q458 PolarHBondContact ND2-OE1 2.78Å; N455-Q458 PolarHBondContact O-N 3.49Å; N455-Q458 VanDerWaalsContact O-N 3.15Å; N455-Q458 WeakPolarHBondContact OD1-CB 3.38Å; N455-Q458 VanDerWaalsContact OD1-CG 3.32Å; N455-Q458 WeakPolarHBondContact OD1-CG 3.27Å; N455-Q458 PolarHBondContact OD1-N 2.91Å; Q458-S460 VanDerWaalsContact C-N 3.35Å; Q458-S460 PolarHBondContact O-N 3.42Å; Q458-K461 PolarHBondContact O-N 3.31Å; Q458-L462 WeakPolarHBondContact O-CB 3.48Å; Q458-L462 PolarHBondContact O-N 3.29Å
459V94.6Very high93.8Very high0 Ų046.4 Ų46.40%022%0.223CC..Hα-helixtrans-59.7-46.7173.9172.90000110.8L265 L268 L454 N455 H457 K461 L462 L463 L492L265-V459 HydrophobicContact CD2-CG1 3.49Å; L265-V459 VanDerWaalsContact CD2-CG1 3.49Å; L265-V459 HydrophobicContact CD2-CG2 4.35Å; L268-V459 HydrophobicContact CD1-CG2 4.11Å; L268-V459 HydrophobicContact CD2-CG2 3.36Å; L268-V459 HydrophobicContact CG-CG2 4.38Å; L454-V459 HydrophobicContact CB-CG2 3.73Å; L454-V459 HydrophobicContact CD1-CG2 4.14Å; N455-V459 WeakPolarHBondContact O-CG2 3.47Å; N455-V459 PolarHBondContact O-N 3.16Å; H457-V459 VanDerWaalsContact C-N 3.34Å; H457-V459 PolarHBondContact O-N 3.32Å; V459-K461 PolarHBondContact O-N 3.3Å; V459-L462 WeakPolarHBondContact O-CB 3.14Å; V459-L462 PolarHBondContact O-N 3.01Å; V459-L462 VanDerWaalsContact O-N 3.15Å; V459-L463 HydrophobicContact CG1-CD1 3.63Å; V459-L463 HydrophobicContact CG1-CG 4.02Å; V459-L463 WeakPolarHBondContact O-CB 3.15Å; V459-L463 VanDerWaalsContact O-CG 3.3Å; V459-L463 WeakPolarHBondContact O-CG 3.31Å; V459-L463 PolarHBondContact O-N 3.31Å; V459-L492 HydrophobicContact CB-CD2 4.01Å; V459-L492 HydrophobicContact CG1-CD1 4.41Å; V459-L492 HydrophobicContact CG1-CD2 3.57Å
460S93.1Very high93.7Very high29 Ų2949.2 Ų49.220%0.20324%0.235CC..Hα-helixtrans-59.8-36.7179.3-62.20000112F456 H457 Q458 K464F456-S460 WeakPolarHBondContact O-CB 3.46Å; F456-S460 PolarHBondContact O-N 3.08Å; F456-S460 PolarHBondContact O-OG 2.94Å; H457-S460 WeakPolarHBondContact O-CB 3.31Å; H457-S460 PolarHBondContact O-N 2.97Å; Q458-S460 VanDerWaalsContact C-N 3.35Å; Q458-S460 PolarHBondContact O-N 3.42Å; S460-K464 VanDerWaalsContact O-CG 3.28Å; S460-K464 WeakPolarHBondContact O-CG 3.41Å; S460-K464 PolarHBondContact O-N 2.94Å
461K93.4Very high93.8Very high122 Ų12249.7 Ų49.753%0.5324%0.238SC..Hα-helixtrans-68.7-48.2173.2-173.6-178.1175.7-173.50111.8H457 Q458 V459 L463 K464 E465H457-K461 PolarHBondContact O-N 2.64Å; Q458-K461 PolarHBondContact O-N 3.31Å; V459-K461 PolarHBondContact O-N 3.3Å; K461-L463 VanDerWaalsContact C-N 3.33Å; K461-L463 PolarHBondContact O-N 2.91Å; K461-K464 WeakPolarHBondContact O-CB 3.33Å; K461-K464 PolarHBondContact O-N 3.1Å; K461-K464 VanDerWaalsContact O-N 3.16Å; K461-E465 WeakPolarHBondContact CE-OE1 3.36Å; K461-E465 PolarHBondContact O-N 3.17Å
462L94.8Very high94Very high3 Ų349.1 Ų49.12%0.01624%0.235CC..Hα-helixtrans-55.9-46.9177.617567.4000111.4M252 Q254 L454 Q458 V459 K464 E465 V466M252-L462 HydrophobicContact CE-CD1 4.14Å; M252-L462 HydrophobicContact CE-CD2 3.78Å; Q254-L462 HydrophobicContact CB-CD1 4.3Å; Q254-L462 HydrophobicContact CG-CD1 3.81Å; Q254-L462 VanDerWaalsContact OE1-CD1 3.27Å; L454-L462 HydrophobicContact CD1-CD2 3.82Å; Q458-L462 WeakPolarHBondContact O-CB 3.48Å; Q458-L462 PolarHBondContact O-N 3.29Å; V459-L462 WeakPolarHBondContact O-CB 3.14Å; V459-L462 PolarHBondContact O-N 3.01Å; V459-L462 VanDerWaalsContact O-N 3.15Å; L462-K464 VanDerWaalsContact C-N 3.3Å; L462-K464 PolarHBondContact O-N 3.23Å; L462-E465 PolarHBondContact O-N 3.19Å; L462-E465 VanDerWaalsContact O-N 3.09Å; L462-V466 HydrophobicContact CD1-CG2 3.74Å; L462-V466 HydrophobicContact CG-CG2 4.16Å; L462-V466 WeakPolarHBondContact O-CB 3.33Å; L462-V466 VanDerWaalsContact O-CG2 3.32Å; L462-V466 WeakPolarHBondContact O-CG2 3.29Å; L462-V466 PolarHBondContact O-N 2.84Å
463L94.6Very high94.1Very high12 Ų1248.7 Ų48.76%0.06323%0.233CC..Hα-helixtrans-66.1-31.6-179.3-67.5175.9000112.6L263 V459 K461 E465 Q467 P468 V471 L494L263-L463 HydrophobicContact CD1-CD2 3.97Å; L263-L463 HydrophobicContact CD2-CD2 4.04Å; V459-L463 HydrophobicContact CG1-CD1 3.63Å; V459-L463 HydrophobicContact CG1-CG 4.02Å; V459-L463 WeakPolarHBondContact O-CB 3.15Å; V459-L463 VanDerWaalsContact O-CG 3.3Å; V459-L463 WeakPolarHBondContact O-CG 3.31Å; V459-L463 PolarHBondContact O-N 3.31Å; K461-L463 VanDerWaalsContact C-N 3.33Å; K461-L463 PolarHBondContact O-N 2.91Å; L463-E465 VanDerWaalsContact C-N 3.31Å; L463-Q467 WeakPolarHBondContact O-CA 3.45Å; L463-Q467 PolarHBondContact O-N 2.69Å; L463-P468 HydrophobicContact CD2-CG 4Å; L463-V471 HydrophobicContact CD1-CG1 4.47Å; L463-V471 HydrophobicContact CD1-CG2 4.35Å; L463-V471 HydrophobicContact CD2-CG2 4.05Å; L463-L494 HydrophobicContact CD1-CD1 3.57Å; L463-L494 HydrophobicContact CD1-CD2 3.66Å; L463-L494 HydrophobicContact CD1-CG 4.28Å
464K93Very high94.1Very high160 Ų16048.2 Ų48.270%0.69623%0.231SC*.Hα-helixtrans-66.6-32.4172-74.3172.1-176.3-179.50112.7S460 K461 L462 Q467S460-K464 VanDerWaalsContact O-CG 3.28Å; S460-K464 WeakPolarHBondContact O-CG 3.41Å; S460-K464 PolarHBondContact O-N 2.94Å; K461-K464 WeakPolarHBondContact O-CB 3.33Å; K461-K464 PolarHBondContact O-N 3.1Å; K461-K464 VanDerWaalsContact O-N 3.16Å; L462-K464 VanDerWaalsContact C-N 3.3Å; L462-K464 PolarHBondContact O-N 3.23Å; K464-Q467 WeakPolarHBondContact O-CG 3.42Å
465E93.1Very high94Very high93 Ų9350 Ų5044%0.43524%0.24SC..Hα-helixtrans-83.4-35.5179-67.4179.4-161.900112.6K461 L462 L463K461-E465 WeakPolarHBondContact CE-OE1 3.36Å; K461-E465 PolarHBondContact O-N 3.17Å; L462-E465 PolarHBondContact O-N 3.19Å; L462-E465 VanDerWaalsContact O-N 3.09Å; L463-E465 VanDerWaalsContact C-N 3.31Å
466V94.3Very high93.9Very high2 Ų252.3 Ų52.31%0.01225%0.249CC..Hα-helixtrans-80.6-32.1-179.1172.50000112.2L257 K258 N259 L263 L462L257-V466 HydrophobicContact CB-CG1 3.99Å; L257-V466 HydrophobicContact CB-CG2 4.06Å; L257-V466 VanDerWaalsContact O-CG1 3.24Å; L257-V466 WeakPolarHBondContact O-CG1 3.5Å; K258-V466 WeakPolarHBondContact CA-O 3.34Å; N259-V466 PolarHBondContact N-O 3.06Å; L263-V466 HydrophobicContact CD1-CG1 3.89Å; L462-V466 HydrophobicContact CD1-CG2 3.74Å; L462-V466 HydrophobicContact CG-CG2 4.16Å; L462-V466 WeakPolarHBondContact O-CB 3.33Å; L462-V466 VanDerWaalsContact O-CG2 3.32Å; L462-V466 WeakPolarHBondContact O-CG2 3.29Å; L462-V466 PolarHBondContact O-N 2.84Å
467Q93.3Very high93.9Very high137 Ų13752 Ų5264%0.6425%0.247SC*.  trans47.458.1180-58.9-173.3-28.900113.8L463 K464L463-Q467 WeakPolarHBondContact O-CA 3.45Å; L463-Q467 PolarHBondContact O-N 2.69Å; K464-Q467 WeakPolarHBondContact O-CG 3.42Å
468P94.3Very high94Very high20 Ų2046.6 Ų46.613%0.1323%0.225CC..  trans-70.3150.5174.632.8-34.9000111.3S260 L263 L463 V471S260-P468 CarbonylContact O-C 3.47Å; S260-P468 WeakPolarHBondContact O-CA 3.45Å; L263-P468 HydrophobicContact CB-CB 3.72Å; L263-P468 HydrophobicContact CB-CG 4.03Å; L263-P468 HydrophobicContact CD1-CB 4.4Å; L263-P468 HydrophobicContact CD1-CG 4.24Å; L463-P468 HydrophobicContact CD2-CG 4Å; P468-V471 HydrophobicContact CB-CG2 4.47Å; P468-V471 HydrophobicContact CG-CG2 3.59Å
469L92.9Very high93.8Very high103 Ų10349.2 Ų49.254%0.53924%0.237SC..SBendtrans-69.5-41.4177.4-63.8177.8000111.9S260 D261S260-L469 PolarHBondContact O-N 3.17Å; D261-L469 HydrophobicContact CB-CD1 4.48Å; D261-L469 WeakPolarHBondContact O-CB 3.49Å; D261-L469 WeakPolarHBondContact OD1-CD1 3.33Å
470H94.3Very high93.4Very high62 Ų6251 Ų5129%0.28725%0.249SC..EExtended strand (participates in β ladder)trans-134.7138.7178.1-59.4-68.1000110.8D261 V262 L263 P510D261-H470 PolarHBondContact O-N 2.79Å; V262-H470 CarbonylContact C-O 3.57Å; V262-H470 WeakPolarHBondContact CA-O 3.28Å; V262-H470 HydrophobicContact CG2-CB 4.34Å; L263-H470 PolarHBondContact N-O 2.99Å; H470-P510 HydrophobicContact CB-CG 4.46Å
471V96.3Very high93.1Very high15 Ų1551.9 Ų51.99%0.09125%0.254CS..EExtended strand (participates in β ladder)trans-112.4132.9175179.90000108.8L263 L463 P468 L494 P498 M499L263-V471 CarbonylContact O-C 3.49Å; L263-V471 WeakPolarHBondContact O-CA 3.35Å; L463-V471 HydrophobicContact CD1-CG1 4.47Å; L463-V471 HydrophobicContact CD1-CG2 4.35Å; L463-V471 HydrophobicContact CD2-CG2 4.05Å; P468-V471 HydrophobicContact CB-CG2 4.47Å; P468-V471 HydrophobicContact CG-CG2 3.59Å; V471-L494 HydrophobicContact CB-CD1 4.04Å; V471-L494 HydrophobicContact CG1-CD1 4Å; V471-L494 HydrophobicContact CG2-CD1 4.08Å; V471-P498 HydrophobicContact CB-CB 4.36Å; V471-P498 HydrophobicContact CG1-CB 4.35Å; V471-P498 CarbonylContact O-C 3.58Å; V471-P498 WeakPolarHBondContact O-CA 3.46Å; V471-M499 PolarHBondContact O-N 3.49Å
472V96.3Very high92.5Very high0 Ų054.2 Ų54.20%027%0.271CS..EExtended strand (participates in β ladder)trans-118.4129.9176.9-179.50000108.1L3 V262 L263 I264 L265 M499 Y501 L507 L509L3-V472 HydrophobicContact CD2-CG1 3.71Å; V262-V472 HydrophobicContact CG1-CG2 3.72Å; L263-V472 PolarHBondContact O-N 3.06Å; I264-V472 WeakPolarHBondContact CA-O 3.42Å; I264-V472 HydrophobicContact CG1-CB 4.18Å; L265-V472 PolarHBondContact N-O 3.48Å; V472-M499 WeakPolarHBondContact CA-O 3.24Å; V472-M499 HydrophobicContact CG2-CB 4.19Å; V472-M499 HydrophobicContact CG2-SD 4.38Å; V472-Y501 HydrophobicContact CG1-CD1 3.67Å; V472-Y501 HydrophobicContact CG1-CE1 4.05Å; V472-L507 HydrophobicContact CG1-CD1 3.79Å; V472-L509 HydrophobicContact CG2-CD2 3.55Å
473C95.8Very high91.8Very high0 Ų060.4 Ų60.40%031%0.309CS..EExtended strand (participates in β ladder)trans-149.1160.3-177.664.40000112.5L265 Y477 M499 P500 Y501L265-C473 HydrophobicContact CB-CB 4.45Å; C473-Y477 HydrophobicContact CB-CD2 4.06Å; C473-M499 PolarHBondContact N-O 3Å; C473-M499 VanDerWaalsContact N-O 3.12Å; C473-P500 CarbonylContact O-C 3.55Å; C473-P500 VanDerWaalsContact O-CA 3.25Å; C473-P500 WeakPolarHBondContact O-CA 3.46Å; C473-Y501 WeakPolarHBondContact O-CD1 3.44Å; C473-Y501 PolarHBondContact O-N 3.28Å
474P95.3Very high91.2Very high2 Ų263 Ų631%0.01332%0.321CS..EExtended strand (participates in β ladder)trans-53.7140168-2430.6000111.3P10 L265 Q476 Y477 Y501P10-P474 HydrophobicContact CB-CB 4.04Å; P10-P474 HydrophobicContact CB-CG 4.03Å; L265-P474 WeakPolarHBondContact O-CD 3.48Å; P474-Q476 PolarHBondContact O-N 3.27Å; P474-Q476 VanDerWaalsContact O-N 3.15Å; P474-Y477 HydrophobicContact CB-CD2 4.28Å; P474-Y477 HydrophobicContact CB-CE2 4.29Å; P474-Y477 HydrophobicContact CG-CD2 4.05Å; P474-Y477 HydrophobicContact CG-CE2 3.71Å; P474-Y477 WeakPolarHBondContact O-CB 3.34Å; P474-Y477 PolarHBondContact O-N 2.95Å; P474-Y501 HydrophobicContact CG-CE1 4.28Å; P474-Y501 HydrophobicContact CG-CE2 4.3Å
475E93.6Very high90.8Very high39 Ų3959.7 Ų59.718%0.18232%0.318CS..G310 helixtrans-58.6-30.4-179.6-173.4-172.8-132.400112.9Y477 T478 Q479 P500 Y501 R502E475-Y477 PolarHBondContact O-N 3.48Å; E475-T478 PolarHBondContact O-N 3.32Å; E475-T478 PolarHBondContact O-OG1 2.82Å; E475-Q479 PolarHBondContact OE1-NE2 2.8Å; E475-P500 HydrophobicContact CB-CB 3.97Å; E475-P500 HydrophobicContact CG-CB 4.06Å; E475-Y501 PolarHBondContact N-O 2.92Å; E475-R502 HydrophobicContact CB-CG 4.13Å; E475-R502 IonicContact OE1-CZ 2.99Å; E475-R502 VanDerWaalsContact OE1-CZ 3.25Å; E475-R502 IonicContact OE1-NE 2.73Å; E475-R502 PolarHBondContact OE1-NE 2.98Å; E475-R502 VanDerWaalsContact OE1-NE 3.08Å; E475-R502 IonicContact OE1-NH2 3.23Å; E475-R502 PolarHBondContact OE1-NH2 3.11Å; E475-R502 IonicContact OE2-CZ 3.1Å; E475-R502 IonicContact OE2-NE 3.58Å; E475-R502 PolarHBondContact OE2-NE 2.83Å; E475-R502 IonicContact OE2-NH2 2.63Å; E475-R502 PolarHBondContact OE2-NH2 3.02Å
476Q91.6Very high90.4Very high97 Ų9762.1 Ų62.145%0.45333%0.329SS..G310 helixtrans-57.7-18.1177.6-6093.2-23.300113.2G8 P474G8-Q476 PolarHBondContact O-NE2 2.96Å; P474-Q476 PolarHBondContact O-N 3.27Å; P474-Q476 VanDerWaalsContact O-N 3.15Å
477Y93.3Very high90Very high10 Ų1065.1 Ų65.14%0.03934%0.34CS..G310 helixtrans-88.6-8.4176.4-58.9-20.6000113.7P10 G267 L268 F456 C473 P474 E475 M491 L492P10-Y477 HydrophobicContact CB-CE1 3.78Å; P10-Y477 WeakPolarHBondContact CB-OH 3.31Å; P10-Y477 PolarHBondContact O-OH 3.33Å; G267-Y477 PolarHBondContact N-OH 3.19Å; L268-Y477 HydrophobicContact CB-CE1 3.94Å; L268-Y477 HydrophobicContact CB-CE2 4.14Å; L268-Y477 WeakPolarHBondContact CB-OH 3.41Å; L268-Y477 HydrophobicContact CD1-CD1 4.14Å; L268-Y477 HydrophobicContact CD1-CD2 3.67Å; L268-Y477 HydrophobicContact CD1-CE1 4.17Å; L268-Y477 HydrophobicContact CD1-CE2 3.72Å; L268-Y477 HydrophobicContact CD1-CG 3.9Å; L268-Y477 HydrophobicContact CG-CD2 4.05Å; L268-Y477 HydrophobicContact CG-CE1 4.18Å; L268-Y477 HydrophobicContact CG-CE2 3.55Å; L268-Y477 PolarHBondContact N-OH 2.88Å; F456-Y477 HydrophobicContact CE1-CD1 4.11Å; F456-Y477 HydrophobicContact CE1-CG 4.26Å; F456-Y477 HydrophobicContact CZ-CD1 4.08Å; C473-Y477 HydrophobicContact CB-CD2 4.06Å; P474-Y477 HydrophobicContact CB-CD2 4.28Å; P474-Y477 HydrophobicContact CB-CE2 4.29Å; P474-Y477 HydrophobicContact CG-CD2 4.05Å; P474-Y477 HydrophobicContact CG-CE2 3.71Å; P474-Y477 WeakPolarHBondContact O-CB 3.34Å; P474-Y477 PolarHBondContact O-N 2.95Å; E475-Y477 PolarHBondContact O-N 3.48Å; Y477-M491 CarbonylContact O-C 3.57Å; Y477-M491 WeakPolarHBondContact O-CA 3.41Å; Y477-L492 PolarHBondContact O-N 2.92Å
478T91.9Very high89.4Confident36 Ų3661.7 Ų61.722%0.22133%0.332CS..SBendtrans-100-4.3-178.564.70000113.3E475 P498 P500E475-T478 PolarHBondContact O-N 3.32Å; E475-T478 PolarHBondContact O-OG1 2.82Å; T478-P498 HydrophobicContact CG2-CG 3.84Å; T478-P500 HydrophobicContact CG2-CB 4.04Å
479Q89.6Confident88.9Confident91 Ų9164.8 Ų64.843%0.42535%0.347SS..SBendtrans-129.3144.6-177.9-61.5178.319.500108.8E475E475-Q479 PolarHBondContact OE1-NE2 2.8Å
480P87.4Confident88.6Confident39 Ų3960.3 Ų60.325%0.25332%0.323SS..  trans-65.6152.3174.229.9-33.7000109.8L482 S485P480-L482 PolarHBondContact O-N 2.83Å; P480-S485 WeakPolarHBondContact CG-O 3.25Å
481P85.3Confident88.4Confident47 Ų4759.1 Ų59.131%0.30532%0.318SS..  trans-53.9136.8176.5-24.633.2000111.5T483 Q484 S485 L490P481-T483 PolarHBondContact O-N 3.18Å; P481-T483 VanDerWaalsContact O-N 3.12Å; P481-Q484 HydrophobicContact CB-CB 4.46Å; P481-Q484 CarbonylContact O-C 3.58Å; P481-Q484 WeakPolarHBondContact O-CA 3.39Å; P481-Q484 PolarHBondContact O-N 3.21Å; P481-S485 PolarHBondContact O-N 2.95Å; P481-L490 HydrophobicContact CG-CB 4.14Å; P481-L490 HydrophobicContact CG-CD1 4.05Å
482L81.1Confident88.1Confident170 Ų17058.7 Ų58.789%0.8932%0.316SS*.G310 helixtrans-56.5-33.4-177-67.5173.7000113.1P480 Q484P480-L482 PolarHBondContact O-N 2.83Å; L482-Q484 VanDerWaalsContact C-N 3.3Å
483T80.9Confident87.6Confident133 Ų13365 Ų6582%0.81635%0.345SS*.G310 helixtrans-75-18.117752.10000113.3P481P481-T483 PolarHBondContact O-N 3.18Å; P481-T483 VanDerWaalsContact O-N 3.12Å
484Q82.3Confident87.2Confident66 Ų6666.6 Ų66.631%0.30835%0.353SS..G310 helixtrans-138.455.5-174.5-63.3-174.8-11.700111P481 L482 H486 R487P481-Q484 HydrophobicContact CB-CB 4.46Å; P481-Q484 CarbonylContact O-C 3.58Å; P481-Q484 WeakPolarHBondContact O-CA 3.39Å; P481-Q484 PolarHBondContact O-N 3.21Å; L482-Q484 VanDerWaalsContact C-N 3.3Å; Q484-H486 PolarHBondContact O-N 2.8Å; Q484-R487 HydrophobicContact CB-CB 4.24Å; Q484-R487 HydrophobicContact CB-CG 3.87Å; Q484-R487 WeakPolarHBondContact O-CB 3.39Å; Q484-R487 PolarHBondContact O-N 2.85Å
485S84.3Confident86.7Confident91 Ų9175.9 Ų75.964%0.63640%0.397SS*.THydrogen-bonded Turntrans-59.1-19.5-175.955.90000115.2P480 P481 R487P480-S485 WeakPolarHBondContact CG-O 3.25Å; P481-S485 PolarHBondContact O-N 2.95Å; S485-R487 VanDerWaalsContact C-N 3.34Å
486H85.3Confident86.4Confident144 Ų14478 Ų7867%0.66741%0.414SS*.THydrogen-bonded Turntrans-80.4-11.3177.161.1-82.2000113.8Q484 S488Q484-H486 PolarHBondContact O-N 2.8Å; H486-S488 PolarHBondContact O-N 2.98Å
487R84.8Confident86.4Confident65 Ų6578.3 Ų78.325%0.24542%0.424CS..  trans-90.574.7-175.1-67.4-67.4-62.6-84.7-2.3111.6Q484 S485 D489 L490Q484-R487 HydrophobicContact CB-CB 4.24Å; Q484-R487 HydrophobicContact CB-CG 3.87Å; Q484-R487 WeakPolarHBondContact O-CB 3.39Å; Q484-R487 PolarHBondContact O-N 2.85Å; S485-R487 VanDerWaalsContact C-N 3.34Å; R487-D489 WeakPolarHBondContact CA-OD1 3.32Å; R487-D489 WeakPolarHBondContact CB-OD1 3.28Å; R487-D489 WeakPolarHBondContact CD-OD1 3.33Å; R487-D489 IonicContact CZ-OD1 2.79Å; R487-D489 IonicContact CZ-OD2 3.17Å; R487-D489 IonicContact NE-OD1 2.81Å; R487-D489 PolarHBondContact NE-OD1 3.09Å; R487-D489 IonicContact NE-OD2 3.83Å; R487-D489 PolarHBondContact NE-OD2 3.03Å; R487-D489 IonicContact NH2-OD1 3.22Å; R487-D489 IonicContact NH2-OD2 3.74Å; R487-D489 PolarHBondContact NH2-OD2 3.45Å; R487-D489 PolarHBondContact O-N 3.42Å; R487-L490 HydrophobicContact CB-CB 4.37Å; R487-L490 HydrophobicContact CB-CD1 3.88Å; R487-L490 HydrophobicContact CB-CG 3.95Å; R487-L490 HydrophobicContact CG-CD1 4.33Å; R487-L490 PolarHBondContact O-N 3.18Å; R487-L490 VanDerWaalsContact O-N 3.11Å
488S82Confident86.4Confident66 Ų6678.7 Ų78.746%0.46243%0.428SS..G310 helixtrans-65-16.2174.958.20000113.5H486 L490 M491H486-S488 PolarHBondContact O-N 2.98Å; S488-L490 PolarHBondContact O-N 3.22Å; S488-M491 VanDerWaalsContact O-CG 3.27Å; S488-M491 WeakPolarHBondContact O-CG 3.33Å
489D82.5Confident86.6Confident84 Ų8479.2 Ų79.245%0.44943%0.428SS..G310 helixtrans-70-13172.262.2-57.7000113.6R487R487-D489 WeakPolarHBondContact CA-OD1 3.32Å; R487-D489 WeakPolarHBondContact CB-OD1 3.28Å; R487-D489 WeakPolarHBondContact CD-OD1 3.33Å; R487-D489 IonicContact CZ-OD1 2.79Å; R487-D489 IonicContact CZ-OD2 3.17Å; R487-D489 IonicContact NE-OD1 2.81Å; R487-D489 PolarHBondContact NE-OD1 3.09Å; R487-D489 IonicContact NE-OD2 3.83Å; R487-D489 PolarHBondContact NE-OD2 3.03Å; R487-D489 IonicContact NH2-OD1 3.22Å; R487-D489 IonicContact NH2-OD2 3.74Å; R487-D489 PolarHBondContact NH2-OD2 3.45Å; R487-D489 PolarHBondContact O-N 3.42Å
490L86.7Confident86.8Confident9 Ų977.4 Ų77.45%0.04743%0.425CS..G310 helixtrans-101.226.5178.9-58.4-174.3000113P272 T273 F456 P481 R487 S488P272-L490 HydrophobicContact CB-CD2 3.59Å; P272-L490 HydrophobicContact CG-CD1 4.07Å; P272-L490 HydrophobicContact CG-CD2 3.49Å; P272-L490 VanDerWaalsContact CG-CD2 3.49Å; P272-L490 HydrophobicContact CG-CG 4.29Å; T273-L490 HydrophobicContact CG2-CD1 4.46Å; F456-L490 HydrophobicContact CD2-CB 4.41Å; F456-L490 HydrophobicContact CD2-CD2 4.41Å; F456-L490 HydrophobicContact CE2-CB 4.43Å; F456-L490 VanDerWaalsContact CE2-O 3.31Å; F456-L490 WeakPolarHBondContact CE2-O 3.45Å; F456-L490 VanDerWaalsContact CZ-O 3.25Å; F456-L490 WeakPolarHBondContact CZ-O 3.4Å; P481-L490 HydrophobicContact CG-CB 4.14Å; P481-L490 HydrophobicContact CG-CD1 4.05Å; R487-L490 HydrophobicContact CB-CB 4.37Å; R487-L490 HydrophobicContact CB-CD1 3.88Å; R487-L490 HydrophobicContact CB-CG 3.95Å; R487-L490 HydrophobicContact CG-CD1 4.33Å; R487-L490 PolarHBondContact O-N 3.18Å; R487-L490 VanDerWaalsContact O-N 3.11Å; S488-L490 PolarHBondContact O-N 3.22Å
491M89.9Confident87.2Confident37 Ų3776 Ų7618%0.18242%0.415CS..SBendtrans-140.7165172.266.8179.4-169.400111.1Y477 S488 E493Y477-M491 CarbonylContact O-C 3.57Å; Y477-M491 WeakPolarHBondContact O-CA 3.41Å; S488-M491 VanDerWaalsContact O-CG 3.27Å; S488-M491 WeakPolarHBondContact O-CG 3.33Å; M491-E493 HydrophobicContact CE-CG 3.64Å; M491-E493 WeakPolarHBondContact CE-OE1 3.21Å; M491-E493 HydrophobicContact CG-CG 4.39Å; M491-E493 PolarHBondContact O-N 2.81Å
492L89.7Confident87.6Confident7 Ų780.9 Ų80.94%0.03743%0.427CS..  trans-89.3101.5177.6-64.8177.8000110.6L265 L268 F456 V459 Y477 L494L265-L492 HydrophobicContact CD2-CD1 3.8Å; L268-L492 HydrophobicContact CD1-CD1 4.34Å; F456-L492 HydrophobicContact CD1-CD2 3.79Å; F456-L492 HydrophobicContact CD1-CG 3.84Å; F456-L492 HydrophobicContact CE1-CG 4.2Å; V459-L492 HydrophobicContact CB-CD2 4.01Å; V459-L492 HydrophobicContact CG1-CD1 4.41Å; V459-L492 HydrophobicContact CG1-CD2 3.57Å; Y477-L492 PolarHBondContact O-N 2.92Å; L492-L494 HydrophobicContact CB-CG 4.45Å
493E86.6Confident88.1Confident132 Ų13275.2 Ų75.262%0.61739%0.393SS*.  trans-94103.1167.4-68.9-174.6177.100109.9M491M491-E493 HydrophobicContact CE-CG 3.64Å; M491-E493 WeakPolarHBondContact CE-OE1 3.21Å; M491-E493 HydrophobicContact CG-CG 4.39Å; M491-E493 PolarHBondContact O-N 2.81Å
494L87.3Confident88.5Confident33 Ų3371.8 Ų71.817%0.17337%0.374CS..  trans-119.6153.8-179.3-52.7172.8000111.4L463 V471 L492 P496 P497 P498L463-L494 HydrophobicContact CD1-CD1 3.57Å; L463-L494 HydrophobicContact CD1-CD2 3.66Å; L463-L494 HydrophobicContact CD1-CG 4.28Å; V471-L494 HydrophobicContact CB-CD1 4.04Å; V471-L494 HydrophobicContact CG1-CD1 4Å; V471-L494 HydrophobicContact CG2-CD1 4.08Å; L492-L494 HydrophobicContact CB-CG 4.45Å; L494-P496 CarbonylContact C-O 3.4Å; L494-P496 VanDerWaalsContact C-O 3.3Å; L494-P496 WeakPolarHBondContact CB-O 3.41Å; L494-P496 CarbonylContact O-C 3.54Å; L494-P497 WeakPolarHBondContact O-CA 3.45Å; L494-P498 HydrophobicContact CD1-CB 4.14Å; L494-P498 HydrophobicContact CD1-CG 4.34Å
495Q84.7Confident89.1Confident197 Ų19770 Ų7092%0.92137%0.369SS*.SBendtrans-126.2115.9169.1-67.3-168.1-2.100109.1
496P87.8Confident89.6Confident83 Ų8368.4 Ų68.454%0.53936%0.355SS..SBendcis-63.6158.4-4.629.5-35.7000112.8L494L494-P496 CarbonylContact C-O 3.4Å; L494-P496 VanDerWaalsContact C-O 3.3Å; L494-P496 WeakPolarHBondContact CB-O 3.41Å; L494-P496 CarbonylContact O-C 3.54Å
497P91Very high90.1Very high104 Ų10462.9 Ų62.968%0.67533%0.331SS*.PPolyproline II helixtrans-61.3146.7-179.325.7-34.3000111.3L494L494-P497 WeakPolarHBondContact O-CA 3.45Å
498P93.8Very high90.5Very high18 Ų1865 Ų6512%0.11735%0.347CS..PPolyproline II helixtrans-66.2158.1176.529-32.2000111V471 T478 L494 P500V471-P498 HydrophobicContact CB-CB 4.36Å; V471-P498 HydrophobicContact CG1-CB 4.35Å; V471-P498 CarbonylContact O-C 3.58Å; V471-P498 WeakPolarHBondContact O-CA 3.46Å; T478-P498 HydrophobicContact CG2-CG 3.84Å; L494-P498 HydrophobicContact CD1-CB 4.14Å; L494-P498 HydrophobicContact CD1-CG 4.34Å; P498-P500 WeakPolarHBondContact O-CD 3.42Å
499M95.1Very high90.9Very high47 Ų4762.2 Ų62.223%0.23233%0.327CS..EExtended strand (participates in β ladder)trans-91.1103.2171.8-61.4-1807000109.3V471 V472 C473 L507 L509 P510V471-M499 PolarHBondContact O-N 3.49Å; V472-M499 WeakPolarHBondContact CA-O 3.24Å; V472-M499 HydrophobicContact CG2-CB 4.19Å; V472-M499 HydrophobicContact CG2-SD 4.38Å; C473-M499 PolarHBondContact N-O 3Å; C473-M499 VanDerWaalsContact N-O 3.12Å; M499-L507 HydrophobicContact CB-CD1 4.47Å; M499-L509 HydrophobicContact CE-CD2 4.45Å; M499-L509 HydrophobicContact SD-CD2 4.45Å; M499-P510 WeakPolarHBondContact SD-CD 3.26Å; M499-P510 HydrophobicContact SD-CG 3.94Å
500P95.4Very high90.8Very high54 Ų5460.9 Ų60.935%0.35132%0.323SS..EExtended strand (participates in β ladder)trans-74.2148.2179.330.2-34.9000111.5C473 E475 T478 P498C473-P500 CarbonylContact O-C 3.55Å; C473-P500 VanDerWaalsContact O-CA 3.25Å; C473-P500 WeakPolarHBondContact O-CA 3.46Å; E475-P500 HydrophobicContact CB-CB 3.97Å; E475-P500 HydrophobicContact CG-CB 4.06Å; T478-P500 HydrophobicContact CG2-CB 4.04Å; P498-P500 WeakPolarHBondContact O-CD 3.42Å
501Y94.4Very high90.2Very high10 Ų1063.2 Ų63.24%0.03933%0.333CS..EExtended strand (participates in β ladder)trans-129.5157.416867.2-98000112.6C5 N15 T266 V472 C473 P474 E475 S505C5-Y501 HydrophobicContact CB-CD2 3.61Å; C5-Y501 HydrophobicContact CB-CE2 4.16Å; C5-Y501 HydrophobicContact CB-CG 4.29Å; C5-Y501 VanDerWaalsContact SG-CB 3.59Å; C5-Y501 WeakPolarHBondContact SG-CD2 3.25Å; N15-Y501 PolarHBondContact ND2-OH 3.28Å; N15-Y501 VanDerWaalsContact ND2-OH 3.08Å; T266-Y501 WeakPolarHBondContact CG2-OH 3.26Å; V472-Y501 HydrophobicContact CG1-CD1 3.67Å; V472-Y501 HydrophobicContact CG1-CE1 4.05Å; C473-Y501 WeakPolarHBondContact O-CD1 3.44Å; C473-Y501 PolarHBondContact O-N 3.28Å; P474-Y501 HydrophobicContact CG-CE1 4.28Å; P474-Y501 HydrophobicContact CG-CE2 4.3Å; E475-Y501 PolarHBondContact N-O 2.92Å; Y501-S505 WeakPolarHBondContact CB-OG 3.17Å
502R93.7Very high88.8Confident149 Ų14973 Ų7356%0.56237%0.368SS*.  trans-124.5167.9173.7-61-179.6-174.1-173.9-9.3110.4C5 E475 C504 S505C5-R502 VanDerWaalsContact CB-O 3.3Å; C5-R502 WeakPolarHBondContact CB-O 3.19Å; E475-R502 HydrophobicContact CB-CG 4.13Å; E475-R502 IonicContact OE1-CZ 2.99Å; E475-R502 VanDerWaalsContact OE1-CZ 3.25Å; E475-R502 IonicContact OE1-NE 2.73Å; E475-R502 PolarHBondContact OE1-NE 2.98Å; E475-R502 VanDerWaalsContact OE1-NE 3.08Å; E475-R502 IonicContact OE1-NH2 3.23Å; E475-R502 PolarHBondContact OE1-NH2 3.11Å; E475-R502 IonicContact OE2-CZ 3.1Å; E475-R502 IonicContact OE2-NE 3.58Å; E475-R502 PolarHBondContact OE2-NE 2.83Å; E475-R502 IonicContact OE2-NH2 2.63Å; E475-R502 PolarHBondContact OE2-NH2 3.02Å; R502-C504 PolarHBondContact O-N 2.89Å; R502-S505 PolarHBondContact N-OG 2.89Å; R502-S505 VanDerWaalsContact O-CB 3.28Å; R502-S505 WeakPolarHBondContact O-CB 3.34Å; R502-S505 PolarHBondContact O-N 2.93Å; R502-S505 VanDerWaalsContact O-N 3.11Å; R502-S505 PolarHBondContact O-OG 3.32Å
503R91.3Very high87.5Confident50 Ų5080.1 Ų80.119%0.18939%0.394CS..THydrogen-bonded Turntrans-51.5139.8166.7-167.1-177.2172.7124.26.6109.7C86 L87 E89 D176 S505C86-R503 PolarHBondContact SG-NH1 2.94Å; L87-R503 PolarHBondContact O-NH2 3Å; E89-R503 IonicContact OE2-NE 2.69Å; E89-R503 IonicContact OE2-NH2 3.99Å; D176-R503 IonicContact OD2-CZ 3.93Å; D176-R503 IonicContact OD2-NE 3.23Å; D176-R503 PolarHBondContact OD2-NE 3.2Å; D176-R503 IonicContact OD2-NH2 2.64Å; R503-S505 PolarHBondContact O-N 3.38Å
504C91.1Very high86.2Confident61 Ų6183.6 Ų83.641%0.41240%0.401SS..THydrogen-bonded Turntrans65.610.4-178.1-51.30000115.5C5 R502C5-C504 PolarHBondContact O-N 3.13Å; R502-C504 PolarHBondContact O-N 2.89Å
505S93.8Very high85.4Confident28 Ų2890.8 Ų90.820%0.19643%0.428CS..  trans-88.4150.7176.870.50000112.4C5 Y501 R502 R503C5-S505 PolarHBondContact N-O 3.48Å; Y501-S505 WeakPolarHBondContact CB-OG 3.17Å; R502-S505 PolarHBondContact N-OG 2.89Å; R502-S505 VanDerWaalsContact O-CB 3.28Å; R502-S505 WeakPolarHBondContact O-CB 3.34Å; R502-S505 PolarHBondContact O-N 2.93Å; R502-S505 VanDerWaalsContact O-N 3.11Å; R502-S505 PolarHBondContact O-OG 3.32Å; R503-S505 PolarHBondContact O-N 3.38Å
506V95.6Very high84.8Confident58 Ų5884.9 Ų84.935%0.35240%0.4SS..EExtended strand (participates in β ladder)trans-122.8114173.9-174.60000108.6K2 L3 Y4 L92K2-V506 HydrophobicContact CD-CG1 4.43Å; L3-V506 CarbonylContact O-C 3.53Å; L3-V506 WeakPolarHBondContact O-CA 3.45Å; Y4-V506 HydrophobicContact CD1-CB 4.43Å; Y4-V506 HydrophobicContact CD1-CG1 4.02Å; Y4-V506 HydrophobicContact CD1-CG2 3.59Å; Y4-V506 HydrophobicContact CE1-CG1 3.86Å; Y4-V506 HydrophobicContact CE1-CG2 3.89Å; Y4-V506 HydrophobicContact CG-CG1 4.42Å; Y4-V506 HydrophobicContact CG-CG2 4.4Å; L92-V506 HydrophobicContact CD1-CG2 3.9Å; L92-V506 HydrophobicContact CD2-CG2 4.11Å; L92-V506 HydrophobicContact CG-CG2 4.26Å
507L94.9Very high84.3Confident29 Ų2987.2 Ų87.215%0.15240%0.398CS..EExtended strand (participates in β ladder)trans-96.8130.9177.6-65.1-176.6000111K2 L3 V472 M499 L509K2-L507 CarbonylContact C-O 3.57Å; K2-L507 WeakPolarHBondContact CA-O 3.49Å; L3-L507 HydrophobicContact CB-CB 4.35Å; L3-L507 PolarHBondContact N-O 3.17Å; L3-L507 PolarHBondContact O-N 2.98Å; V472-L507 HydrophobicContact CG1-CD1 3.79Å; M499-L507 HydrophobicContact CB-CD1 4.47Å; L507-L509 HydrophobicContact CB-CD2 4.47Å
508N93.4Very high84.1Confident109 Ų10985.3 Ų85.358%0.58338%0.384SS*.EExtended strand (participates in β ladder)trans-87.2109.5165.5-65.7-61.7000108K2K2-N508 VanDerWaalsContact CE-OD1 3.25Å; K2-N508 WeakPolarHBondContact CE-OD1 3.23Å; K2-N508 WeakPolarHBondContact CG-OD1 3.48Å
509L90.3Very high83.8Confident8 Ų889.1 Ų89.14%0.04240%0.397CS..  trans-75.2131.9-178.8-60.5176.7000109.6M1 L3 L17 V262 V472 M499 L507 F511M1-L509 HydrophobicContact CB-CB 4.29Å; M1-L509 HydrophobicContact CB-CD1 4.5Å; M1-L509 HydrophobicContact CG-CD1 3.96Å; M1-L509 PolarHBondContact O-N 3.24Å; M1-L509 VanDerWaalsContact O-N 3.11Å; M1-L509 HydrophobicContact SD-CD1 3.59Å; M1-L509 VanDerWaalsContact SD-CD1 3.59Å; L3-L509 HydrophobicContact CB-CD1 4.36Å; L3-L509 HydrophobicContact CB-CG 4.48Å; L17-L509 HydrophobicContact CD1-CD1 3.91Å; V262-L509 HydrophobicContact CG1-CD1 4.22Å; V262-L509 HydrophobicContact CG1-CD2 4.39Å; V262-L509 HydrophobicContact CG2-CB 4.48Å; V472-L509 HydrophobicContact CG2-CD2 3.55Å; M499-L509 HydrophobicContact CE-CD2 4.45Å; M499-L509 HydrophobicContact SD-CD2 4.45Å; L507-L509 HydrophobicContact CB-CD2 4.47Å; L509-F511 HydrophobicContact CB-CD2 3.85Å; L509-F511 HydrophobicContact CB-CE2 3.56Å; L509-F511 HydrophobicContact CD1-CE2 4.32Å; L509-F511 WeakPolarHBondContact O-CD2 3.43Å; L509-F511 PolarHBondContact O-N 3.27Å
510P80.6Confident83.5Confident56 Ų5690.5 Ų90.536%0.36441%0.405SS..  trans-73.993.5-172.729.4-35.3000110.5H470 M499H470-P510 HydrophobicContact CB-CG 4.46Å; M499-P510 WeakPolarHBondContact SD-CD 3.26Å; M499-P510 HydrophobicContact SD-CG 3.94Å
511F73.9Confident83.3Confident58 Ų5890.9 Ų90.925%0.25440%0.403SS..  trans-111124173.7-76.8-84.9000110.3M1 E234 V236 D261 V262 L509 R513M1-F511 HydrophobicContact CB-CD2 3.62Å; M1-F511 HydrophobicContact CB-CE2 3.63Å; M1-F511 HydrophobicContact CE-CD2 4.23Å; M1-F511 HydrophobicContact CE-CE1 4.04Å; M1-F511 HydrophobicContact CE-CE2 3.48Å; M1-F511 VanDerWaalsContact CE-CE2 3.48Å; M1-F511 HydrophobicContact CE-CZ 3.37Å; M1-F511 HydrophobicContact CG-CE2 4.08Å; M1-F511 HydrophobicContact SD-CD2 4.24Å; M1-F511 HydrophobicContact SD-CE2 3.29Å; M1-F511 WeakPolarHBondContact SD-CE2 3.46Å; M1-F511 HydrophobicContact SD-CZ 3.62Å; E234-F511 HydrophobicContact CB-CE1 4.23Å; E234-F511 HydrophobicContact CG-CD1 4.29Å; E234-F511 HydrophobicContact CG-CE1 4.29Å; V236-F511 HydrophobicContact CG2-CZ 4.4Å; D261-F511 HydrophobicContact CB-CE1 3.79Å; D261-F511 HydrophobicContact CB-CZ 4.34Å; V262-F511 HydrophobicContact CB-CZ 4.31Å; V262-F511 HydrophobicContact CG2-CE1 4.32Å; V262-F511 HydrophobicContact CG2-CE2 3.67Å; V262-F511 HydrophobicContact CG2-CZ 3.39Å; L509-F511 HydrophobicContact CB-CD2 3.85Å; L509-F511 HydrophobicContact CB-CE2 3.56Å; L509-F511 HydrophobicContact CD1-CE2 4.32Å; L509-F511 WeakPolarHBondContact O-CD2 3.43Å; L509-F511 PolarHBondContact O-N 3.27Å; F511-R513 PolarHBondContact O-N 3.25Å
512R59.4Low83Confident242 Ų24294.8 Ų94.891%0.91343%0.43SS*.  trans-94.487.9170.2-69.1-174.4178.9-175.30.1109.1
513R62.4Low82.6Confident156 Ų15694.5 Ų94.559%0.58944%0.435SS*.  trans-78.1134.4174.4-171.2178.4178.4-171.2-4.1110.2F511 E516F511-R513 PolarHBondContact O-N 3.25Å; R513-E516 IonicContact CZ-OE2 3.94Å; R513-E516 IonicContact NH2-OE1 2.58Å; R513-E516 IonicContact NH2-OE2 3.77Å; R513-E516 PolarHBondContact NH2-OE2 3.37Å
514R60.5Low82.4Confident205 Ų20592.3 Ų92.377%0.77443%0.427SS*.  trans-132-22.5165.9-70.4-173.6177.4179.5-2.4114.3
515Y70.3Confident82.2Confident185 Ų18591.5 Ų91.573%0.72542%0.424SS*.  trans-140.6156-171.3-55.6-73.9000112.6
516E72.1Confident81.8Confident72 Ų7296.9 Ų96.934%0.33645%0.451SS..  trans-138.7148.3170.1-175.6151.9-123.200109.3K20 R513 H553K20-E516 IonicContact NZ-OE1 2.6Å; K20-E516 PolarHBondContact NZ-OE1 3.3Å; R513-E516 IonicContact CZ-OE2 3.94Å; R513-E516 IonicContact NH2-OE1 2.58Å; R513-E516 IonicContact NH2-OE2 3.77Å; R513-E516 PolarHBondContact NH2-OE2 3.37Å; E516-H553 IonicContact OE1-NE2 3.46Å; E516-H553 IonicContact OE2-CD2 3.76Å; E516-H553 IonicContact OE2-NE2 2.71Å; E516-H553 PolarHBondContact OE2-NE2 2.94Å
517R77.5Confident81.2Confident132 Ų13297.5 Ų97.550%0.49846%0.458SS..  trans-79.3127.9-178.4-169.3176.1-174.3173.22.1110.4Y519R517-Y519 HydrophobicContact CG-CE2 4.31Å; R517-Y519 VanDerWaalsContact CZ-OH 3.28Å; R517-Y519 PolarHBondContact NE-OH 2.98Å; R517-Y519 PolarHBondContact NH1-OH 3.27Å
518V86Confident80.6Confident64 Ų6498.1 Ų98.139%0.38846%0.461SS..  trans-125.6137.2175.5-175.10000108.8L546 H553 L555V518-L546 HydrophobicContact CG1-CD1 4.13Å; V518-H553 HydrophobicContact CB-CB 4.32Å; V518-H553 HydrophobicContact CG1-CB 4.09Å; V518-H553 HydrophobicContact CG2-CB 3.96Å; V518-L555 HydrophobicContact CG1-CD1 3.83Å; V518-L555 HydrophobicContact CG1-CD2 4.39Å; V518-L555 HydrophobicContact CG1-CG 3.6Å
519Y87.2Confident80.2Confident98 Ų9898.9 Ų98.938%0.38447%0.469SS..EExtended strand (participates in β ladder)trans-99.5131.7178.1-65.2-90.4000110.3R517 H553 T554 L555R517-Y519 HydrophobicContact CG-CE2 4.31Å; R517-Y519 VanDerWaalsContact CZ-OH 3.28Å; R517-Y519 PolarHBondContact NE-OH 2.98Å; R517-Y519 PolarHBondContact NH1-OH 3.27Å; Y519-H553 PolarHBondContact N-O 3.06Å; Y519-T554 CarbonylContact O-C 3.57Å; Y519-T554 VanDerWaalsContact O-CA 3.23Å; Y519-T554 WeakPolarHBondContact O-CA 3.4Å; Y519-L555 PolarHBondContact O-N 2.87Å
520I90.5Very high79.9Confident77 Ų77102.3 Ų102.340%0.39549%0.492SS..EExtended strand (participates in β ladder)trans-91.9126.4174-59.4175.5000107.6L524 A525 L555I520-L524 HydrophobicContact CG2-CB 4.03Å; I520-L524 HydrophobicContact CG2-CD2 3.87Å; I520-L524 HydrophobicContact CG2-CG 3.91Å; I520-A525 HydrophobicContact CG2-CB 3.84Å; I520-L555 HydrophobicContact CG1-CD1 4.1Å
521L90.1Very high79.7Confident61 Ų61102.2 Ų102.232%0.31949%0.493SS..PPolyproline II helixtrans-65.7147.3175.2-74.3-175.3000111E523 L524 A525 L555 Q556L521-E523 PolarHBondContact O-N 3.34Å; L521-E523 VanDerWaalsContact O-N 3.14Å; L521-L524 PolarHBondContact O-N 3.17Å; L521-A525 PolarHBondContact O-N 3.21Å; L521-L555 PolarHBondContact N-O 3.43Å; L521-L555 VanDerWaalsContact N-O 3.12Å; L521-Q556 HydrophobicContact CD1-CB 4.22Å; L521-Q556 HydrophobicContact CD1-CG 3.61Å; L521-Q556 HydrophobicContact CG-CG 4.37Å
522P88.3Confident80Confident92 Ų92105.4 Ų105.460%0.59751%0.509SS*.Hα-helixtrans-53.5-38.3-177.8-27.835000114L524 A525 N526P522-L524 PolarHBondContact O-N 3.39Å; P522-A525 PolarHBondContact O-N 3.15Å; P522-N526 WeakPolarHBondContact O-CB 3.39Å; P522-N526 PolarHBondContact O-N 3.08Å; P522-N526 PolarHBondContact O-ND2 3.04Å
523E85.4Confident80.8Confident143 Ų14396.4 Ų96.467%0.66848%0.481SS*.Hα-helixtrans-61.8-44.1178.4-63179.1-177.700112.6L521 S527L521-E523 PolarHBondContact O-N 3.34Å; L521-E523 VanDerWaalsContact O-N 3.14Å; E523-S527 PolarHBondContact O-N 2.97Å
524L86.6Confident81.4Confident5 Ų595.9 Ų95.93%0.02648%0.483CS..Hα-helixtrans-69.4-44.8177176.764000110.1I520 L521 P522 N526 S527 L528 V542 A544 L555I520-L524 HydrophobicContact CG2-CB 4.03Å; I520-L524 HydrophobicContact CG2-CD2 3.87Å; I520-L524 HydrophobicContact CG2-CG 3.91Å; L521-L524 PolarHBondContact O-N 3.17Å; P522-L524 PolarHBondContact O-N 3.39Å; L524-N526 VanDerWaalsContact C-N 3.29Å; L524-N526 PolarHBondContact O-N 3.33Å; L524-S527 WeakPolarHBondContact O-CB 3.37Å; L524-S527 PolarHBondContact O-N 3.49Å; L524-S527 PolarHBondContact O-OG 3.3Å; L524-L528 WeakPolarHBondContact O-CG 3.35Å; L524-L528 PolarHBondContact O-N 3.42Å; L524-V542 HydrophobicContact CD2-CG1 4.17Å; L524-A544 HydrophobicContact CD1-CB 4.21Å; L524-A544 HydrophobicContact CD2-CB 3.36Å; L524-A544 HydrophobicContact CG-CB 4.44Å; L524-L555 HydrophobicContact CD2-CB 3.59Å
525A86.5Confident82Confident43 Ų4392.3 Ų92.336%0.35549%0.486SS..Hα-helixtrans-57.1-42.6178.300000112.1I520 L521 P522 S527 L528I520-A525 HydrophobicContact CG2-CB 3.84Å; L521-A525 PolarHBondContact O-N 3.21Å; P522-A525 PolarHBondContact O-N 3.15Å; A525-S527 PolarHBondContact O-N 3.31Å; A525-L528 PolarHBondContact O-N 2.86Å
526N86.1Confident82.5Confident142 Ų14287 Ų8776%0.75949%0.488SS*.Hα-helixtrans-68.7-20.6177.4-71-21.1000113.7P522 L524P522-N526 WeakPolarHBondContact O-CB 3.39Å; P522-N526 PolarHBondContact O-N 3.08Å; P522-N526 PolarHBondContact O-ND2 3.04Å; L524-N526 VanDerWaalsContact C-N 3.29Å; L524-N526 PolarHBondContact O-N 3.33Å
527S82.5Confident82.9Confident71 Ų7187.5 Ų87.550%0.49750%0.495SS..Hα-helixtrans-84.8-14.1177.774.80000113.7E523 L524 A525E523-S527 PolarHBondContact O-N 2.97Å; L524-S527 WeakPolarHBondContact O-CB 3.37Å; L524-S527 PolarHBondContact O-N 3.49Å; L524-S527 PolarHBondContact O-OG 3.3Å; A525-S527 PolarHBondContact O-N 3.31Å
528L83.6Confident83Confident41 Ų4184.5 Ų84.522%0.21550%0.495CS..  trans-72.6133.3179.7-59.5179.5000109.8L524 A525 P530 A540 T541 V542L524-L528 WeakPolarHBondContact O-CG 3.35Å; L524-L528 PolarHBondContact O-N 3.42Å; A525-L528 PolarHBondContact O-N 2.86Å; L528-P530 WeakPolarHBondContact O-CD 3.27Å; L528-A540 HydrophobicContact CB-CB 4.01Å; L528-T541 WeakPolarHBondContact CD2-O 3.29Å; L528-V542 HydrophobicContact CD1-CG2 3.83Å; L528-V542 HydrophobicContact CD2-CB 4.26Å; L528-V542 HydrophobicContact CD2-CG1 4.36Å; L528-V542 HydrophobicContact CD2-CG2 3.77Å; L528-V542 HydrophobicContact CG-CG2 4.48Å
529V83.4Confident82.7Confident125 Ų12584.7 Ų84.776%0.75850%0.496SS*.  trans-113.997.1175.6-175.50000107.8
530P84.1Confident82.4Confident81 Ų8181.5 Ų81.553%0.52649%0.489SS..PPolyproline II helixtrans-70.4132.4179.1-14.429.4000111.3L528 V539 A540L528-P530 WeakPolarHBondContact O-CD 3.27Å; P530-V539 WeakPolarHBondContact CA-O 3.37Å; P530-A540 HydrophobicContact CB-CB 4.32Å; P530-A540 HydrophobicContact CG-CB 4.34Å
531S77.6Confident81.8Confident54 Ų5481.6 Ų81.638%0.37849%0.494SS..EExtended strand (participates in β ladder)trans-103.6130.5170.5-172.40000109.7V533 S538 V539S531-V533 PolarHBondContact O-N 2.96Å; S531-S538 CarbonylContact O-C 3.57Å; S531-S538 VanDerWaalsContact O-CA 3.26Å; S531-S538 WeakPolarHBondContact O-CA 3.38Å; S531-V539 PolarHBondContact N-O 2.93Å; S531-V539 PolarHBondContact O-N 2.92Å
532E78.9Confident81.4Confident125 Ų12581.8 Ų81.858%0.58450%0.497SS*.EExtended strand (participates in β ladder)trans-75.3118.9-179.7-169.4172.5-163.600110.5K534 P535 G536E532-K534 VanDerWaalsContact CG-O 3.28Å; E532-K534 WeakPolarHBondContact CG-O 3.3Å; E532-P535 VanDerWaalsContact OE1-CA 3.31Å; E532-P535 WeakPolarHBondContact OE1-CA 3.3Å; E532-G536 PolarHBondContact OE1-N 2.93Å; E532-G536 VanDerWaalsContact OE1-N 3.09Å
533V77.3Confident81Confident53 Ų5381.9 Ų81.932%0.32150%0.5SS..EExtended strand (participates in β ladder)trans-100.2-31-179.1-172.10000110.8S531 V537 V539S531-V533 PolarHBondContact O-N 2.96Å; V533-V537 PolarHBondContact N-O 3.27Å; V533-V539 HydrophobicContact CG2-CB 3.98Å; V533-V539 HydrophobicContact CG2-CG2 3.67Å
534K74.4Confident81Confident145 Ų14576.7 Ų76.763%0.6348%0.481SS*.EExtended strand (participates in β ladder)trans-144.2156.6173.7-65.1-178.1-178.2176.20108.9E532 G536 V537E532-K534 VanDerWaalsContact CG-O 3.28Å; E532-K534 WeakPolarHBondContact CG-O 3.3Å; K534-G536 PolarHBondContact O-N 2.86Å; K534-V537 HydrophobicContact CB-CB 4.33Å; K534-V537 PolarHBondContact N-O 2.89Å; K534-V537 PolarHBondContact O-N 3.13Å
535P73.6Confident81Confident130 Ų13079.4 Ų79.484%0.84450%0.498SS*.THydrogen-bonded Turntrans-49.3114175.6-28.435.7000111.8E532E532-P535 VanDerWaalsContact OE1-CA 3.31Å; E532-P535 WeakPolarHBondContact OE1-CA 3.3Å
536G81.8Confident81.1Confident74 Ų7481.9 Ų81.976%0.76351%0.505SS*.THydrogen-bonded Turntrans81.35-18000000116.2E532 K534E532-G536 PolarHBondContact OE1-N 2.93Å; E532-G536 VanDerWaalsContact OE1-N 3.09Å; K534-G536 PolarHBondContact O-N 2.86Å
537V78.8Confident81.1Confident82 Ų8279.7 Ų79.750%0.49749%0.49SS..EExtended strand (participates in β ladder)trans-124.9107.7174.5-175.60000109.8V533 K534V533-V537 PolarHBondContact N-O 3.27Å; K534-V537 HydrophobicContact CB-CB 4.33Å; K534-V537 PolarHBondContact N-O 2.89Å; K534-V537 PolarHBondContact O-N 3.13Å
538S79.4Confident81.1Confident69 Ų6979.5 Ų79.548%0.48349%0.489SS..EExtended strand (participates in β ladder)trans-107.5142.6174.5-490000111.2S531S531-S538 CarbonylContact O-C 3.57Å; S531-S538 VanDerWaalsContact O-CA 3.26Å; S531-S538 WeakPolarHBondContact O-CA 3.38Å
539V80.7Confident80.8Confident68 Ų6884.3 Ų84.341%0.41251%0.508SS..EExtended strand (participates in β ladder)trans-120.7134.7-179.7-1780000108.7P530 S531 V533P530-V539 WeakPolarHBondContact CA-O 3.37Å; S531-V539 PolarHBondContact N-O 2.93Å; S531-V539 PolarHBondContact O-N 2.92Å; V533-V539 HydrophobicContact CG2-CB 3.98Å; V533-V539 HydrophobicContact CG2-CG2 3.67Å
540A80.4Confident80.1Confident30 Ų3083.1 Ų83.125%0.24850%0.497CS..  trans-125.1141.4172.800000109.3L528 P530L528-A540 HydrophobicContact CB-CB 4.01Å; P530-A540 HydrophobicContact CB-CB 4.32Å; P530-A540 HydrophobicContact CG-CB 4.34Å
541T78.3Confident79.4Confident79 Ų7981.8 Ų81.849%0.48549%0.486SS..  trans-78.5128.8172.654.80000109.6L528 L586L528-T541 WeakPolarHBondContact CD2-O 3.29Å; T541-L586 HydrophobicContact CG2-CD1 4.19Å
542V81Confident79.3Confident66 Ų6684.8 Ų84.840%0.449%0.492SS..  trans-108.9107.6178.4-1740000108.4L524 L528 A544 L555L524-V542 HydrophobicContact CD2-CG1 4.17Å; L528-V542 HydrophobicContact CD1-CG2 3.83Å; L528-V542 HydrophobicContact CD2-CB 4.26Å; L528-V542 HydrophobicContact CD2-CG1 4.36Å; L528-V542 HydrophobicContact CD2-CG2 3.77Å; L528-V542 HydrophobicContact CG-CG2 4.48Å; V542-A544 HydrophobicContact CG1-CB 4.16Å; V542-L555 HydrophobicContact CG1-CD1 4.41Å
543S81.4Confident79.6Confident94 Ų9480.2 Ų80.266%0.65747%0.471SS*.  trans-106.7113.3169.2-67.60000109.1
544A84.4Confident80.2Confident33 Ų3379.1 Ų79.127%0.27346%0.464SS..  trans-152.8158.1-168.800000112.4L524 V542 L555 Q556L524-A544 HydrophobicContact CD1-CB 4.21Å; L524-A544 HydrophobicContact CD2-CB 3.36Å; L524-A544 HydrophobicContact CG-CB 4.44Å; V542-A544 HydrophobicContact CG1-CB 4.16Å; A544-L555 HydrophobicContact CB-CB 3.94Å; A544-L555 HydrophobicContact CB-CD2 3.96Å; A544-L555 HydrophobicContact CB-CG 4.42Å; A544-Q556 CarbonylContact C-O 3.37Å; A544-Q556 VanDerWaalsContact CA-O 3.23Å; A544-Q556 WeakPolarHBondContact CA-O 3.47Å; A544-Q556 VanDerWaalsContact CB-O 3.24Å; A544-Q556 WeakPolarHBondContact CB-O 3.33Å
545V87.1Confident80.9Confident63 Ų6374 Ų7438%0.38244%0.444SS..EExtended strand (participates in β ladder)trans-89.7124169.51790000108.5Q547 Q556 V558V545-Q547 PolarHBondContact O-N 2.88Å; V545-Q556 PolarHBondContact N-O 3.05Å; V545-Q556 PolarHBondContact O-N 3.21Å; V545-V558 HydrophobicContact CG2-CG2 4.47Å
546L89.1Confident81.6Confident95 Ų9570.7 Ų70.750%0.49742%0.417SS..EExtended strand (participates in β ladder)trans-79.9107.2172.4178.765.3000109.6V518 H553 L555V518-L546 HydrophobicContact CG1-CD1 4.13Å; L546-H553 HydrophobicContact CD1-CB 3.99Å; L546-L555 HydrophobicContact CB-CD2 4.09Å; L546-L555 HydrophobicContact CD1-CD2 4.02Å
547Q86.3Confident81.6Confident95 Ų9569.9 Ų69.944%0.44440%0.4SS..EExtended strand (participates in β ladder)trans-93.7119.7168.3-168.2178.138.900109.4V545 T554 Q556V545-Q547 PolarHBondContact O-N 2.88Å; Q547-T554 PolarHBondContact N-O 2.94Å; Q547-T554 PolarHBondContact O-N 2.93Å; Q547-T554 PolarHBondContact O-OG1 3.5Å; Q547-Q556 HydrophobicContact CB-CG 4.44Å
548S81.3Confident81.6Confident68 Ų6870.1 Ų70.148%0.47640%0.401SS..EExtended strand (participates in β ladder)trans-110.4116.9174.7-58.20000109.1K552 H553S548-K552 WeakPolarHBondContact CA-O 3.35Å; S548-H553 PolarHBondContact OG-ND1 3.48Å
549K77.5Confident81.3Confident142 Ų14271.8 Ų71.862%0.61741%0.41SS*.EExtended strand (participates in β ladder)trans-136.3130174.5-175179.6175.6-1780109.1N551 K552K549-N551 PolarHBondContact O-N 2.9Å; K549-K552 PolarHBondContact N-O 3.46Å; K549-K552 WeakPolarHBondContact O-CA 3.44Å; K549-K552 WeakPolarHBondContact O-CB 3.31Å; K549-K552 PolarHBondContact O-N 2.87Å
550D68.6Low80.4Confident99 Ų9978.1 Ų78.153%0.52943%0.432SS..THydrogen-bonded Turntrans50.842.1179.9-49.5-34.6000112.5F208 G209 K552F208-D550 CarbonylContact O-C 3.53Å; G209-D550 CarbonylContact C-O 3.58Å; G209-D550 WeakPolarHBondContact CA-O 3.38Å; D550-K552 PolarHBondContact O-N 3.32Å
551N68.5Low79.1Confident54 Ų5481 Ų8129%0.28946%0.456SS..THydrogen-bonded Turntrans56.917.4-175.2-53.3-77.5000115.4S21 F208 A210 K549S21-N551 PolarHBondContact OG-ND2 2.99Å; S21-N551 PolarHBondContact OG-OD1 3.49Å; F208-N551 PolarHBondContact O-ND2 3.39Å; A210-N551 HydrophobicContact CB-CB 4.1Å; A210-N551 WeakPolarHBondContact CB-ND2 3.42Å; K549-N551 PolarHBondContact O-N 2.9Å
552K76.8Confident77.7Confident117 Ų11782.4 Ų82.451%0.50947%0.467SS..EExtended strand (participates in β ladder)trans-98122.5167.3-64.4178.9-178.9175.70109S548 K549 D550S548-K552 WeakPolarHBondContact CA-O 3.35Å; K549-K552 PolarHBondContact N-O 3.46Å; K549-K552 WeakPolarHBondContact O-CA 3.44Å; K549-K552 WeakPolarHBondContact O-CB 3.31Å; K549-K552 PolarHBondContact O-N 2.87Å; D550-K552 PolarHBondContact O-N 3.32Å
553H85.3Confident76.2Confident28 Ų2885.3 Ų85.313%0.1349%0.487CS..EExtended strand (participates in β ladder)trans-101.4118.6-177.1-59-64.6000109.8E516 V518 Y519 L546 S548E516-H553 IonicContact OE1-NE2 3.46Å; E516-H553 IonicContact OE2-CD2 3.76Å; E516-H553 IonicContact OE2-NE2 2.71Å; E516-H553 PolarHBondContact OE2-NE2 2.94Å; V518-H553 HydrophobicContact CB-CB 4.32Å; V518-H553 HydrophobicContact CG1-CB 4.09Å; V518-H553 HydrophobicContact CG2-CB 3.96Å; Y519-H553 PolarHBondContact N-O 3.06Å; L546-H553 HydrophobicContact CD1-CB 3.99Å; S548-H553 PolarHBondContact OG-ND1 3.48Å
554T89.2Confident74.7Confident31 Ų3187.5 Ų87.519%0.1950%0.496CS..EExtended strand (participates in β ladder)trans-122.9136.9176.958.60000110.7Y519 Q547Y519-T554 CarbonylContact O-C 3.57Å; Y519-T554 VanDerWaalsContact O-CA 3.23Å; Y519-T554 WeakPolarHBondContact O-CA 3.4Å; Q547-T554 PolarHBondContact N-O 2.94Å; Q547-T554 PolarHBondContact O-N 2.93Å; Q547-T554 PolarHBondContact O-OG1 3.5Å
555L90.4Very high72.9Confident37 Ų3789.6 Ų89.619%0.19451%0.513CS..EExtended strand (participates in β ladder)trans-96.3125.5173-69.6170.4000109.6V518 Y519 I520 L521 L524 V542 A544 L546V518-L555 HydrophobicContact CG1-CD1 3.83Å; V518-L555 HydrophobicContact CG1-CD2 4.39Å; V518-L555 HydrophobicContact CG1-CG 3.6Å; Y519-L555 PolarHBondContact O-N 2.87Å; I520-L555 HydrophobicContact CG1-CD1 4.1Å; L521-L555 PolarHBondContact N-O 3.43Å; L521-L555 VanDerWaalsContact N-O 3.12Å; L524-L555 HydrophobicContact CD2-CB 3.59Å; V542-L555 HydrophobicContact CG1-CD1 4.41Å; A544-L555 HydrophobicContact CB-CB 3.94Å; A544-L555 HydrophobicContact CB-CD2 3.96Å; A544-L555 HydrophobicContact CB-CG 4.42Å; L546-L555 HydrophobicContact CB-CD2 4.09Å; L546-L555 HydrophobicContact CD1-CD2 4.02Å
556Q87.1Confident71Confident60 Ų6092.9 Ų92.928%0.2854%0.535SS..EExtended strand (participates in β ladder)trans-117.2157.3-178.6-48.5-164.3-19.400111L521 A544 V545 Q547L521-Q556 HydrophobicContact CD1-CB 4.22Å; L521-Q556 HydrophobicContact CD1-CG 3.61Å; L521-Q556 HydrophobicContact CG-CG 4.37Å; A544-Q556 CarbonylContact C-O 3.37Å; A544-Q556 VanDerWaalsContact CA-O 3.23Å; A544-Q556 WeakPolarHBondContact CA-O 3.47Å; A544-Q556 VanDerWaalsContact CB-O 3.24Å; A544-Q556 WeakPolarHBondContact CB-O 3.33Å; V545-Q556 PolarHBondContact N-O 3.05Å; V545-Q556 PolarHBondContact O-N 3.21Å; Q547-Q556 HydrophobicContact CB-CG 4.44Å
557S82.2Confident68.6Low58 Ų5893.9 Ų93.941%0.40655%0.55SS.*PPolyproline II helixtrans-61.6146.9173.358.50000110.6P559S557-P559 WeakPolarHBondContact O-CD 3.48Å
558V78.9Confident66.7Low86 Ų8699 Ų9952%0.52157%0.571SS.*PPolyproline II helixtrans-65.5125.3177.2-177.50000108.7V545 K560V545-V558 HydrophobicContact CG2-CG2 4.47Å; V558-K560 PolarHBondContact O-N 2.82Å
559P72.3Confident65Low104 Ų104105.4 Ų105.468%0.67559%0.591SS**PPolyproline II helixtrans-56.5125.8-179.7-23.931.7000111S557 A561S557-P559 WeakPolarHBondContact O-CD 3.48Å; P559-A561 PolarHBondContact O-N 3.15Å
560K61.6Low63.1Low202 Ų202110.4 Ų110.488%0.87861%0.606SS**PPolyproline II helixtrans-68.6130.3170-70.9179.8179.7175.20108.4V558V558-K560 PolarHBondContact O-N 2.82Å
561A52.9Low62Low89 Ų89116 Ų11674%0.73663%0.625SS**PPolyproline II helixtrans-54.4139.517400000110.1P559P559-A561 PolarHBondContact O-N 3.15Å
562P49.8Very low60.4Low110 Ų110124.9 Ų124.971%0.71466%0.655SS**PPolyproline II helixtrans-60.6140.3-179.923.4-31.5000110V564P562-V564 PolarHBondContact O-N 2.9Å
563P49.3Very low58.7Low127 Ų127126.5 Ų126.583%0.82567%0.674SS**PPolyproline II helixtrans-62.5121.9177.523.5-30.3000109.5A565P563-A565 PolarHBondContact O-N 3.38Å
564V51.1Low56.2Low140 Ų140132.6 Ų132.685%0.84870%0.704SS**PPolyproline II helixtrans-64.2116.9174.4-177.30000108.1P562P562-V564 PolarHBondContact O-N 2.9Å
565A46.7Very low53.7Low76 Ų76140 Ų14063%0.62874%0.737SS**PPolyproline II helixtrans-63.9142.8174.400000110.6P563 S567P563-A565 PolarHBondContact O-N 3.38Å; A565-S567 PolarHBondContact O-N 3.46Å
566P45.4Very low51Low132 Ų132146 Ų14686%0.85776%0.764SS**  trans-71.9100.5-177.728.3-32000110.2
567S39.2Very low48.6Very low116 Ų116147.8 Ų147.881%0.81178%0.781SS**  trans-86.1125.1171.262.90000110.6A565 K569A565-S567 PolarHBondContact O-N 3.46Å; S567-K569 PolarHBondContact O-N 2.91Å
568K46.3Very low46.4Very low203 Ų203150.9 Ų150.988%0.88380%0.8SS**  trans-73.3123.8175.3-75.7177.2177.2173.30110.3
569K45.1Very low44.4Very low203 Ų203152.4 Ų152.488%0.88381%0.808SS**  trans62108.6155.7-64.4-177176.6-179.80118.4S567S567-K569 PolarHBondContact O-N 2.91Å
570R38.1Very low43Very low247 Ų247154 Ų15493%0.93282%0.817SS**  -173.4133.6112.8-107.2173.2172174.4-2.4111.2R572R570-R572 PolarHBondContact O-N 3.37Å
571K45.7Very low42.1Very low216 Ų216150.9 Ų150.994%0.93981%0.807SS**  trans-54116.1171.8-86.6177.6168.7179.60110.7
572R35.8Very low41.8Very low241 Ų241150.5 Ų150.591%0.90980%0.804SS**  trans-139.1143.7151.8-99.1-177.6176.7176.8-2.2107.8R570 M574R570-R572 PolarHBondContact O-N 3.37Å; R572-M574 PolarHBondContact O-N 3.09Å
573V41.1Very low41.8Very low150 Ų150151.3 Ų151.391%0.90981%0.809SS**  trans-46122.8-174.8177.60000110.1E575V573-E575 PolarHBondContact O-N 3.37Å
574M32.1Very low42.3Very low157 Ų157152.8 Ų152.877%0.77380%0.803SS**  trans-85.7104.1-175.5-156.1161.173.800106.8R572 E576R572-M574 PolarHBondContact O-N 3.09Å; M574-E576 PolarHBondContact O-N 2.73Å
575E36.6Very low42.7Very low187 Ų187149.4 Ų149.487%0.87478%0.783SS**PPolyproline II helixtrans-64.5120.1149.7-88.9-176.8154.200105.5V573V573-E575 PolarHBondContact O-N 3.37Å
576E33.6Very low43.5Very low161 Ų161151.3 Ų151.375%0.75278%0.782SS**PPolyproline II helixtrans-56.1128.7174.5-70.9-173.8153.900108.6M574M574-E576 PolarHBondContact O-N 2.73Å
577P37.1Very low44.8Very low98 Ų98148.6 Ų148.664%0.63676%0.76SS**PPolyproline II helixtrans-59.2144.6171.525.6-31.3000108.3V579P577-V579 PolarHBondContact O-N 2.85Å
578P36.3Very low46.3Very low124 Ų124145.3 Ų145.381%0.80574%0.737SS**  trans-58.3113.1175.324-30.3000107T580P578-T580 PolarHBondContact O-N 2.9Å
579V37.1Very low47.6Very low117 Ų117137.8 Ų137.871%0.70972%0.718SS**  trans-52.4113.6172.8176.70000105.6P577 M581P577-V579 PolarHBondContact O-N 2.85Å; V579-M581 PolarHBondContact O-N 2.91Å
580T43.2Very low49.2Very low139 Ų139132.1 Ų132.185%0.85371%0.709SS**  trans-63.887.5165.635.40000106.2P578 A582P578-T580 PolarHBondContact O-N 2.9Å; T580-A582 PolarHBondContact O-N 2.64Å
581M41.5Very low51.4Low135 Ų135121.2 Ų121.267%0.66567%0.669SS**PPolyproline II helixtrans-54.2129.3172.5-69.4-170.475.300106.7V579V579-M581 PolarHBondContact O-N 2.91Å
582A46.7Very low53.3Low81 Ų81114 Ų11467%0.66965%0.645SS**PPolyproline II helixtrans-48.1133.7167.800000108T580 K584T580-A582 PolarHBondContact O-N 2.64Å; A582-K584 PolarHBondContact O-N 2.92Å
583P50.7Low55.7Low127 Ų127104.4 Ų104.483%0.82561%0.611SS**PPolyproline II helixtrans-53.5120.9-179.219.6-29.5000108
584K58.7Low57.9Low159 Ų159105.2 Ų105.269%0.69161%0.605SS**PPolyproline II helixtrans-58.9135174.9-70.8178.4-179.6174.50106.8A582 L586A582-K584 PolarHBondContact O-N 2.92Å; K584-L586 PolarHBondContact O-N 3.08Å; K584-L586 VanDerWaalsContact O-N 3.16Å
585P59.9Low60.5Low69 Ų6999.8 Ų99.845%0.44859%0.585SS.*PPolyproline II helixtrans-55.8126.3178.523-32000108.4K659P585-K659 HydrophobicContact CB-CB 4.15Å; P585-K659 HydrophobicContact CB-CG 4.35Å; P585-K659 HydrophobicContact CG-CD 4.16Å; P585-K659 HydrophobicContact CG-CG 4.38Å
586L63.3Low63Low115 Ų11590.9 Ų90.960%0.60254%0.544SS*.PPolyproline II helixtrans-67.7143.5175.6-76.2162.3000107.7T541 K584 L660T541-L586 HydrophobicContact CG2-CD1 4.19Å; K584-L586 PolarHBondContact O-N 3.08Å; K584-L586 VanDerWaalsContact O-N 3.16Å; L586-L660 HydrophobicContact CB-CB 4.42Å; L586-L660 HydrophobicContact CB-CD1 4.37Å; L586-L660 WeakPolarHBondContact O-CB 3.42Å; L586-L660 PolarHBondContact O-N 2.65Å
587L73.4Confident65.5Low75 Ų7585.1 Ų85.139%0.39352%0.518SS..EExtended strand (participates in β ladder)trans-104.8133.3-175.9-66.4159.3000108.1L654 L657 Q658 K659L587-L654 HydrophobicContact CD1-CD2 3.16Å; L587-L654 HydrophobicContact CD2-CD2 3.99Å; L587-L654 HydrophobicContact CG-CD2 4.2Å; L587-L657 HydrophobicContact CB-CB 4Å; L587-L657 HydrophobicContact CB-CD1 3.94Å; L587-L657 HydrophobicContact CD1-CD1 4.24Å; L587-L657 HydrophobicContact CD2-CB 4.11Å; L587-Q658 CarbonylContact C-O 3.39Å; L587-Q658 WeakPolarHBondContact CA-O 3.41Å; L587-K659 HydrophobicContact CD2-CG 3.82Å
588S69.3Low67.8Low47 Ų4782.5 Ų82.533%0.32950%0.504SS..EExtended strand (participates in β ladder)trans-133.5132.9179.3171.50000110.4Q658S588-Q658 PolarHBondContact N-O 2.93Å; S588-Q658 WeakPolarHBondContact O-CB 3.21Å; S588-Q658 PolarHBondContact O-N 2.9Å
589G75Confident70.3Confident46 Ų4677.9 Ų77.947%0.47447%0.474SS..  trans150.5154.2-17900000110.4L657G589-L657 WeakPolarHBondContact O-CD2 3.45Å
590A79Confident72.7Confident84 Ų8472.3 Ų72.369%0.69444%0.44SS*.  trans-90.4147.4168.200000109P592A590-P592 WeakPolarHBondContact O-CD 3.27Å
591V84.3Confident74.6Confident17 Ų1771.5 Ų71.510%0.10343%0.426CS..  trans-93.1100.3171.6-177.50000107.8L593 F596 L630 V653 F656 L657V591-L593 PolarHBondContact O-N 3.37Å; V591-F596 HydrophobicContact CG1-CB 3.8Å; V591-F596 HydrophobicContact CG1-CD1 4.28Å; V591-F596 HydrophobicContact CG1-CD2 3.64Å; V591-F596 HydrophobicContact CG1-CE2 4.29Å; V591-F596 HydrophobicContact CG1-CG 3.65Å; V591-L630 HydrophobicContact CB-CD2 4.16Å; V591-L630 HydrophobicContact CG1-CD1 4.37Å; V591-L630 HydrophobicContact CG1-CD2 4.33Å; V591-V653 HydrophobicContact CG2-CG1 4.13Å; V591-F656 HydrophobicContact CG1-CB 4.38Å; V591-F656 HydrophobicContact CG1-CD2 4.21Å; V591-F656 HydrophobicContact CG1-CG 4.28Å; V591-F656 HydrophobicContact CG2-CB 4.18Å; V591-L657 HydrophobicContact CG2-CD2 4.21Å
592P85.7Confident76.7Confident66 Ų6673.5 Ų73.543%0.42943%0.432SS..  trans-67124.9-178.624.6-33.3000111.2A590 E594 A595 F596 F656A590-P592 WeakPolarHBondContact O-CD 3.27Å; P592-E594 PolarHBondContact O-N 3.34Å; P592-A595 HydrophobicContact CB-CB 4.47Å; P592-A595 HydrophobicContact CG-CB 3.99Å; P592-A595 PolarHBondContact O-N 3.3Å; P592-F596 VanDerWaalsContact O-CB 3.29Å; P592-F596 WeakPolarHBondContact O-CB 3.43Å; P592-F596 PolarHBondContact O-N 3.01Å; P592-F656 HydrophobicContact CG-CD1 4.02Å; P592-F656 HydrophobicContact CG-CE1 4.28Å
593L85.9Confident78.5Confident38 Ų3873.8 Ų73.820%0.19942%0.419CS..Hα-helixtrans-52.3-54.6-174.3179.970.8000113.1V591 A595 F596 L597 V610 H617 L619 L630V591-L593 PolarHBondContact O-N 3.37Å; L593-A595 PolarHBondContact O-N 3.3Å; L593-F596 PolarHBondContact O-N 3.4Å; L593-L597 HydrophobicContact CD1-CD1 4.12Å; L593-L597 HydrophobicContact CD1-CG 4.3Å; L593-L597 HydrophobicContact CG-CD1 3.94Å; L593-L597 HydrophobicContact CG-CG 4.47Å; L593-L597 WeakPolarHBondContact O-CB 3.39Å; L593-L597 WeakPolarHBondContact O-CG 3.44Å; L593-L597 PolarHBondContact O-N 3.24Å; L593-V610 HydrophobicContact CD1-CG1 4.25Å; L593-V610 HydrophobicContact CD2-CG1 4.26Å; L593-H617 HydrophobicContact CD1-CB 4.17Å; L593-H617 VanDerWaalsContact CD2-CD2 3.5Å; L593-H617 WeakPolarHBondContact CD2-CD2 3.46Å; L593-L619 HydrophobicContact CD1-CD1 4.05Å; L593-L619 HydrophobicContact CD1-CD2 4.04Å; L593-L619 HydrophobicContact CD1-CG 4.19Å; L593-L630 HydrophobicContact CD1-CD1 4.33Å
594E86.6Confident79.9Confident168 Ų16870.6 Ų70.679%0.78541%0.409SS*.Hα-helixtrans-62.6-42.5-174.9-65.4-172.4168.400112.6P592 F596 A598P592-E594 PolarHBondContact O-N 3.34Å; E594-F596 VanDerWaalsContact C-N 3.35Å; E594-A598 WeakPolarHBondContact O-CB 3.4Å; E594-A598 PolarHBondContact O-N 3.12Å
595A85.9Confident81Confident43 Ų4363.4 Ų63.436%0.35538%0.378SS..Hα-helixtrans-72.7-31.717900000111.8P592 L593 T599 F656P592-A595 HydrophobicContact CB-CB 4.47Å; P592-A595 HydrophobicContact CG-CB 3.99Å; P592-A595 PolarHBondContact O-N 3.3Å; L593-A595 PolarHBondContact O-N 3.3Å; A595-T599 WeakPolarHBondContact O-CB 3.41Å; A595-T599 PolarHBondContact O-N 3.26Å; A595-T599 VanDerWaalsContact O-N 3.1Å; A595-T599 PolarHBondContact O-OG1 3.29Å; A595-F656 HydrophobicContact CB-CE1 3.9Å; A595-F656 HydrophobicContact CB-CZ 4.42Å
596F88.9Confident81.7Confident0 Ų064.8 Ų64.80%039%0.385CS..Hα-helixtrans-67.5-46.9174.4-169.9-117.6000111.2V591 P592 L593 E594 A598 T599 L600 L619 I628 L630 L652 V653 F656V591-F596 HydrophobicContact CG1-CB 3.8Å; V591-F596 HydrophobicContact CG1-CD1 4.28Å; V591-F596 HydrophobicContact CG1-CD2 3.64Å; V591-F596 HydrophobicContact CG1-CE2 4.29Å; V591-F596 HydrophobicContact CG1-CG 3.65Å; P592-F596 VanDerWaalsContact O-CB 3.29Å; P592-F596 WeakPolarHBondContact O-CB 3.43Å; P592-F596 PolarHBondContact O-N 3.01Å; L593-F596 PolarHBondContact O-N 3.4Å; E594-F596 VanDerWaalsContact C-N 3.35Å; F596-A598 PolarHBondContact O-N 3.39Å; F596-T599 WeakPolarHBondContact O-CA 3.32Å; F596-T599 WeakPolarHBondContact O-CB 3.25Å; F596-T599 PolarHBondContact O-N 3.02Å; F596-L600 HydrophobicContact CD1-CD1 3.9Å; F596-L600 HydrophobicContact CD1-CG 4.45Å; F596-L600 HydrophobicContact CE1-CD1 3.71Å; F596-L600 HydrophobicContact CE1-CD2 4.48Å; F596-L600 HydrophobicContact CE1-CG 4.23Å; F596-L600 HydrophobicContact CZ-CD1 4.29Å; F596-L600 HydrophobicContact CZ-CD2 4.27Å; F596-L600 HydrophobicContact CZ-CG 4.37Å; F596-L600 WeakPolarHBondContact O-CG 3.49Å; F596-L600 PolarHBondContact O-N 3.04Å; F596-L619 HydrophobicContact CD1-CD2 4.13Å; F596-L619 HydrophobicContact CE1-CD2 4.43Å; F596-I628 HydrophobicContact CE1-CD1 4.04Å; F596-I628 HydrophobicContact CE1-CG2 4.47Å; F596-I628 HydrophobicContact CZ-CD1 4.29Å; F596-L630 HydrophobicContact CD1-CD1 4.28Å; F596-L652 HydrophobicContact CE2-CB 4.35Å; F596-V653 HydrophobicContact CE2-CG2 3.61Å; F596-V653 HydrophobicContact CZ-CG2 3.6Å; F596-F656 AromaticContact CD2-CD2 3.96Å; F596-F656 HydrophobicContact CD2-CD2 3.96Å; F596-F656 AromaticContact CD2-CE2 3.62Å; F596-F656 HydrophobicContact CD2-CE2 3.62Å; F596-F656 HydrophobicContact CD2-CZ 4.41Å; F596-F656 HydrophobicContact CE2-CE2 4.4Å
597L87.5Confident82.4Confident40 Ų4064.9 Ų64.921%0.20938%0.383CS..Hα-helixtrans-57.4-45.7174-73.1171.3000112.2L593 T599 L600 Q601 V608 V610 L619L593-L597 HydrophobicContact CD1-CD1 4.12Å; L593-L597 HydrophobicContact CD1-CG 4.3Å; L593-L597 HydrophobicContact CG-CD1 3.94Å; L593-L597 HydrophobicContact CG-CG 4.47Å; L593-L597 WeakPolarHBondContact O-CB 3.39Å; L593-L597 WeakPolarHBondContact O-CG 3.44Å; L593-L597 PolarHBondContact O-N 3.24Å; L597-T599 PolarHBondContact O-N 3.42Å; L597-L600 PolarHBondContact O-N 2.98Å; L597-Q601 WeakPolarHBondContact O-CG 3.38Å; L597-Q601 PolarHBondContact O-N 3.06Å; L597-V608 HydrophobicContact CD2-CB 4.27Å; L597-V608 HydrophobicContact CD2-CG1 3.87Å; L597-V610 HydrophobicContact CD1-CG2 4.06Å; L597-V610 HydrophobicContact CD2-CG2 3.93Å; L597-L619 HydrophobicContact CD2-CD2 3.58Å; L597-L619 HydrophobicContact CG-CD2 4.24Å
598A85.9Confident83Confident43 Ų4362.9 Ų62.936%0.35537%0.373SS..Hα-helixtrans-62-30.8175.900000112.6E594 F596 K602E594-A598 WeakPolarHBondContact O-CB 3.4Å; E594-A598 PolarHBondContact O-N 3.12Å; F596-A598 PolarHBondContact O-N 3.39Å; A598-K602 WeakPolarHBondContact O-CG 3.47Å; A598-K602 PolarHBondContact O-N 3.28Å
599T87Confident83.9Confident26 Ų2665.4 Ų65.416%0.1638%0.378CS..Hα-helixtrans-77.7-38.7178.2-54.30000111.6A595 F596 L597 K602 H603 L652A595-T599 WeakPolarHBondContact O-CB 3.41Å; A595-T599 PolarHBondContact O-N 3.26Å; A595-T599 VanDerWaalsContact O-N 3.1Å; A595-T599 PolarHBondContact O-OG1 3.29Å; F596-T599 WeakPolarHBondContact O-CA 3.32Å; F596-T599 WeakPolarHBondContact O-CB 3.25Å; F596-T599 PolarHBondContact O-N 3.02Å; L597-T599 PolarHBondContact O-N 3.42Å; T599-K602 PolarHBondContact O-N 2.8Å; T599-H603 PolarHBondContact O-N 2.76Å; T599-H603 PolarHBondContact O-ND1 3.44Å; T599-L652 HydrophobicContact CG2-CD2 3.7Å
600L87.2Confident84.5Confident0 Ų065.9 Ų65.90%037%0.372CS..Hα-helixtrans-59.7-47.5172.7-71.3171.6000111F596 L597 K602 H603 G604 I605 V608 L619 L649 L652F596-L600 HydrophobicContact CD1-CD1 3.9Å; F596-L600 HydrophobicContact CD1-CG 4.45Å; F596-L600 HydrophobicContact CE1-CD1 3.71Å; F596-L600 HydrophobicContact CE1-CD2 4.48Å; F596-L600 HydrophobicContact CE1-CG 4.23Å; F596-L600 HydrophobicContact CZ-CD1 4.29Å; F596-L600 HydrophobicContact CZ-CD2 4.27Å; F596-L600 HydrophobicContact CZ-CG 4.37Å; F596-L600 WeakPolarHBondContact O-CG 3.49Å; F596-L600 PolarHBondContact O-N 3.04Å; L597-L600 PolarHBondContact O-N 2.98Å; L600-K602 VanDerWaalsContact C-N 3.34Å; L600-K602 PolarHBondContact O-N 3.07Å; L600-H603 CarbonylContact O-C 3.52Å; L600-H603 PolarHBondContact O-N 2.93Å; L600-G604 PolarHBondContact O-N 2.93Å; L600-I605 CarbonylContact C-O 3.34Å; L600-I605 HydrophobicContact CB-CB 4.26Å; L600-I605 HydrophobicContact CD2-CD1 3.84Å; L600-I605 PolarHBondContact O-N 2.94Å; L600-V608 HydrophobicContact CD1-CG2 4.39Å; L600-L619 HydrophobicContact CD1-CD2 4.29Å; L600-L649 HydrophobicContact CD2-CD2 3.89Å; L600-L652 HydrophobicContact CD2-CD1 4.03Å
601Q84.9Confident85Confident122 Ų12266.1 Ų66.157%0.5736%0.359SS*.Hα-helixtrans-59.3-41.9176.4-74.1179.9-10.600112.6L597 H603 G604 I605L597-Q601 WeakPolarHBondContact O-CG 3.38Å; L597-Q601 PolarHBondContact O-N 3.06Å; Q601-H603 PolarHBondContact O-N 2.86Å; Q601-G604 PolarHBondContact O-N 3.49Å; Q601-G604 VanDerWaalsContact O-N 3.13Å; Q601-I605 WeakPolarHBondContact CA-O 3.29Å; Q601-I605 PolarHBondContact N-O 3.08Å
602K85.9Confident85.1Confident178 Ų17873.2 Ų73.277%0.77439%0.391SS*.Hα-helixtrans-63.2-24.5175.7-78.9177.5-178.7178.10113.8A598 T599 L600A598-K602 WeakPolarHBondContact O-CG 3.47Å; A598-K602 PolarHBondContact O-N 3.28Å; T599-K602 PolarHBondContact O-N 2.8Å; L600-K602 VanDerWaalsContact C-N 3.34Å; L600-K602 PolarHBondContact O-N 3.07Å
603H83.2Confident85Confident87 Ų8773 Ų7340%0.40339%0.388SS..THydrogen-bonded Turntrans-98.314.5178.3-67.772.7000112.5T599 L600 Q601 L652T599-H603 PolarHBondContact O-N 2.76Å; T599-H603 PolarHBondContact O-ND1 3.44Å; L600-H603 CarbonylContact O-C 3.52Å; L600-H603 PolarHBondContact O-N 2.93Å; Q601-H603 PolarHBondContact O-N 2.86Å; H603-L652 HydrophobicContact CB-CD1 4.45Å
604G80Confident84.6Confident59 Ų5976 Ų7661%0.60842%0.419SS*.THydrogen-bonded Turntrans87.96.5173.200000115.1L600 Q601L600-G604 PolarHBondContact O-N 2.93Å; Q601-G604 PolarHBondContact O-N 3.49Å; Q601-G604 VanDerWaalsContact O-N 3.13Å
605I81.4Confident84.1Confident9 Ų973.8 Ų73.85%0.04641%0.412CS..  trans-96.697.1176.4-56.9170000107.8L600 Q601 V608 L621 L645 L649L600-I605 CarbonylContact C-O 3.34Å; L600-I605 HydrophobicContact CB-CB 4.26Å; L600-I605 HydrophobicContact CD2-CD1 3.84Å; L600-I605 PolarHBondContact O-N 2.94Å; Q601-I605 WeakPolarHBondContact CA-O 3.29Å; Q601-I605 PolarHBondContact N-O 3.08Å; I605-V608 HydrophobicContact CG2-CG2 3.81Å; I605-L621 HydrophobicContact CD1-CD2 4.17Å; I605-L621 HydrophobicContact CG2-CD2 3.61Å; I605-L621 HydrophobicContact CG2-CG 3.92Å; I605-L645 HydrophobicContact CD1-CD1 4.4Å; I605-L649 HydrophobicContact CD1-CD2 4.25Å
606T74.5Confident84.1Confident98 Ų9872.4 Ų72.460%0.60140%0.402SS*.  trans-106.6-23.1-172.149.60000114.2V608T606-V608 PolarHBondContact O-N 3.38Å
607E79.5Confident84.1Confident117 Ų11775.2 Ų75.255%0.54742%0.415SS..  trans-94.666.6-176.9-65.3-170.6170.600112.1Q622E607-Q622 PolarHBondContact O-N 3.05Å
608V85.4Confident84.2Confident33 Ų3375 Ų7520%0.241%0.414CS..EExtended strand (participates in β ladder)trans-107.1117.3179.9-171.40000110.3L597 L600 I605 T606 V610 L619 H620 L621L597-V608 HydrophobicContact CD2-CB 4.27Å; L597-V608 HydrophobicContact CD2-CG1 3.87Å; L600-V608 HydrophobicContact CD1-CG2 4.39Å; I605-V608 HydrophobicContact CG2-CG2 3.81Å; T606-V608 PolarHBondContact O-N 3.38Å; V608-V610 HydrophobicContact CG1-CG2 4.44Å; V608-L619 HydrophobicContact CG1-CB 3.89Å; V608-L619 HydrophobicContact CG1-CD2 4.03Å; V608-L619 HydrophobicContact CG1-CG 4.41Å; V608-H620 WeakPolarHBondContact CA-O 3.33Å; V608-L621 HydrophobicContact CG1-CD1 4.36Å; V608-L621 HydrophobicContact CG2-CG 4.28Å
609K87.4Confident84.4Confident99 Ų9973 Ų7343%0.4340%0.397SS..EExtended strand (participates in β ladder)trans-92129.8170.4-169.5-171.5179.9-152.40109.2E611 L619 H620K609-E611 WeakPolarHBondContact CE-OE1 3.33Å; K609-E611 IonicContact NZ-OE1 3.08Å; K609-E611 PolarHBondContact NZ-OE1 2.93Å; K609-L619 CarbonylContact O-C 3.57Å; K609-L619 WeakPolarHBondContact O-CA 3.35Å; K609-H620 HydrophobicContact CB-CB 4.4Å; K609-H620 PolarHBondContact N-O 3.43Å; K609-H620 PolarHBondContact O-N 3.15Å
610V89.3Confident84.5Confident56 Ų5674.3 Ų74.334%0.33940%0.401SS..EExtended strand (participates in β ladder)trans-108.9131.1178.9-174.40000109.5L593 L597 V608 I618 L619L593-V610 HydrophobicContact CD1-CG1 4.25Å; L593-V610 HydrophobicContact CD2-CG1 4.26Å; L597-V610 HydrophobicContact CD1-CG2 4.06Å; L597-V610 HydrophobicContact CD2-CG2 3.93Å; V608-V610 HydrophobicContact CG1-CG2 4.44Å; V610-I618 CarbonylContact C-O 3.58Å; V610-I618 WeakPolarHBondContact CA-O 3.27Å; V610-L619 HydrophobicContact CG2-CG 4.42Å
611E89Confident84.5Confident90 Ų9074.3 Ų74.342%0.42140%0.401SS..EExtended strand (participates in β ladder)trans-121128.9174.1-63.2-175.1173.700109.2K609 H617 I618K609-E611 WeakPolarHBondContact CE-OE1 3.33Å; K609-E611 IonicContact NZ-OE1 3.08Å; K609-E611 PolarHBondContact NZ-OE1 2.93Å; E611-H617 WeakPolarHBondContact O-CA 3.44Å; E611-I618 HydrophobicContact CB-CB 4.45Å; E611-I618 PolarHBondContact N-O 3.18Å; E611-I618 PolarHBondContact O-N 3.43Å
612E85.4Confident84.2Confident166 Ų16674 Ų7478%0.77640%0.4SS*.EExtended strand (participates in β ladder)trans-84.1140.4175.8-72.8179.9178.500110.8
613T84.3Confident83.8Confident61 Ų6169 Ų6937%0.37439%0.392SS..EExtended strand (participates in β ladder)trans-126170.8176.7620000110.3D615 G616 I618T613-D615 PolarHBondContact O-N 3.46Å; T613-G616 PolarHBondContact N-O 3.4Å; T613-G616 PolarHBondContact OG1-N 2.96Å; T613-G616 PolarHBondContact OG1-O 3.35Å; T613-I618 HydrophobicContact CG2-CD1 3.71Å; T613-I618 HydrophobicContact CG2-CG1 3.83Å
614A76.8Confident83.4Confident102 Ų10267.5 Ų67.584%0.84339%0.385SS*.THydrogen-bonded Turntrans-60.3-30.6-178.800000113.4
615D76.5Confident83.5Confident121 Ų12169.5 Ų69.565%0.64738%0.381SS*.THydrogen-bonded Turntrans-119.36.8-171.7-56.2-45.2000113.2T613 E632T613-D615 PolarHBondContact O-N 3.46Å; D615-E632 PolarHBondContact O-N 2.93Å
616G86.5Confident83.7Confident13 Ų1369.1 Ų69.113%0.13438%0.379CS..EExtended strand (participates in β ladder)trans165.3-153.6-175.200000116.3T613 L630T613-G616 PolarHBondContact N-O 3.4Å; T613-G616 PolarHBondContact OG1-N 2.96Å; T613-G616 PolarHBondContact OG1-O 3.35Å; G616-L630 CarbonylContact C-O 3.52Å; G616-L630 WeakPolarHBondContact CA-O 3.47Å
617H89.4Confident84.4Confident60 Ų6067.8 Ų67.828%0.27837%0.369SS..EExtended strand (participates in β ladder)trans-131.9140.5-176.3-48.380.5000111.5L593 E611 Q629 L630L593-H617 HydrophobicContact CD1-CB 4.17Å; L593-H617 VanDerWaalsContact CD2-CD2 3.5Å; L593-H617 WeakPolarHBondContact CD2-CD2 3.46Å; E611-H617 WeakPolarHBondContact O-CA 3.44Å; H617-Q629 WeakPolarHBondContact O-CA 3.44Å; H617-L630 PolarHBondContact N-O 3.45Å; H617-L630 PolarHBondContact O-N 3.44Å
618I89.2Confident84.8Confident36 Ų3662.2 Ų62.219%0.18534%0.342CS..EExtended strand (participates in β ladder)trans-110.7121.6173-54.5-177.1000108.6V610 E611 T613 L627 I628 Q629V610-I618 CarbonylContact C-O 3.58Å; V610-I618 WeakPolarHBondContact CA-O 3.27Å; E611-I618 HydrophobicContact CB-CB 4.45Å; E611-I618 PolarHBondContact N-O 3.18Å; E611-I618 PolarHBondContact O-N 3.43Å; T613-I618 HydrophobicContact CG2-CD1 3.71Å; T613-I618 HydrophobicContact CG2-CG1 3.83Å; I618-L627 HydrophobicContact CG2-CD2 3.99Å; I618-I628 CarbonylContact C-O 3.59Å; I618-I628 WeakPolarHBondContact CA-O 3.4Å; I618-Q629 HydrophobicContact CG1-CG 4.16Å; I618-Q629 HydrophobicContact CG2-CG 4.42Å
619L89.8Confident85Confident0 Ų063.8 Ų63.80%035%0.348CS..EExtended strand (participates in β ladder)trans-103.8123.4173.9-56.187000108.9L593 F596 L597 L600 V608 K609 V610 L627 I628 L630L593-L619 HydrophobicContact CD1-CD1 4.05Å; L593-L619 HydrophobicContact CD1-CD2 4.04Å; L593-L619 HydrophobicContact CD1-CG 4.19Å; F596-L619 HydrophobicContact CD1-CD2 4.13Å; F596-L619 HydrophobicContact CE1-CD2 4.43Å; L597-L619 HydrophobicContact CD2-CD2 3.58Å; L597-L619 HydrophobicContact CG-CD2 4.24Å; L600-L619 HydrophobicContact CD1-CD2 4.29Å; V608-L619 HydrophobicContact CG1-CB 3.89Å; V608-L619 HydrophobicContact CG1-CD2 4.03Å; V608-L619 HydrophobicContact CG1-CG 4.41Å; K609-L619 CarbonylContact O-C 3.57Å; K609-L619 WeakPolarHBondContact O-CA 3.35Å; V610-L619 HydrophobicContact CG2-CG 4.42Å; L619-L627 WeakPolarHBondContact O-CA 3.48Å; L619-I628 HydrophobicContact CB-CB 4.23Å; L619-I628 HydrophobicContact CD1-CB 4.38Å; L619-I628 HydrophobicContact CD1-CG2 4.36Å; L619-I628 PolarHBondContact N-O 3.06Å; L619-I628 PolarHBondContact O-N 3Å; L619-L630 HydrophobicContact CD1-CD1 3.61Å; L619-L630 HydrophobicContact CD1-CG 3.78Å
620H88.6Confident85Confident53 Ų5359.6 Ų59.625%0.24533%0.33CS..EExtended strand (participates in β ladder)trans-110.2113.6176.4-174.5-154.1000109.9V608 K609 Q622 L627V608-H620 WeakPolarHBondContact CA-O 3.33Å; K609-H620 HydrophobicContact CB-CB 4.4Å; K609-H620 PolarHBondContact N-O 3.43Å; K609-H620 PolarHBondContact O-N 3.15Å; H620-Q622 PolarHBondContact O-N 2.94Å; H620-L627 HydrophobicContact CB-CD2 3.88Å
621L88Confident84.8Confident0 Ų060.3 Ų60.30%033%0.329CS..EExtended strand (participates in β ladder)trans-88.197.4174.8-76.171.9000107.5I605 V608 A623 E624 D625 T626 I628 L649I605-L621 HydrophobicContact CD1-CD2 4.17Å; I605-L621 HydrophobicContact CG2-CD2 3.61Å; I605-L621 HydrophobicContact CG2-CG 3.92Å; V608-L621 HydrophobicContact CG1-CD1 4.36Å; V608-L621 HydrophobicContact CG2-CG 4.28Å; L621-A623 PolarHBondContact O-N 3.01Å; L621-E624 HydrophobicContact CB-CB 4.42Å; L621-E624 WeakPolarHBondContact CB-OE2 3.22Å; L621-E624 PolarHBondContact O-N 2.87Å; L621-D625 PolarHBondContact O-N 3.28Å; L621-D625 VanDerWaalsContact O-N 3.1Å; L621-T626 PolarHBondContact N-O 3.31Å; L621-T626 PolarHBondContact O-N 3.49Å; L621-I628 HydrophobicContact CD1-CD1 3.87Å; L621-I628 HydrophobicContact CD1-CG1 4.23Å; L621-L649 HydrophobicContact CD2-CD2 4.36Å
622Q78.9Confident84Confident116 Ų11665.4 Ų65.454%0.54235%0.353SS..THydrogen-bonded Turntrans-70.6-33.4-167.4-68.3-173.5-2900113.4E607 H620 E624E607-Q622 PolarHBondContact O-N 3.05Å; H620-Q622 PolarHBondContact O-N 2.94Å; Q622-E624 VanDerWaalsContact C-N 3.3Å
623A76.7Confident83.3Confident73 Ų7364.5 Ų64.560%0.60335%0.354SS*.THydrogen-bonded Turntrans-73.8-25.4179.800000112.3L621L621-A623 PolarHBondContact O-N 3.01Å
624E75.2Confident83.1Confident55 Ų5562.5 Ų62.526%0.25735%0.345SS..THydrogen-bonded Turntrans-111.36.1-173.9-57.392.616300114.7L621 Q622 T626 L645L621-E624 HydrophobicContact CB-CB 4.42Å; L621-E624 WeakPolarHBondContact CB-OE2 3.22Å; L621-E624 PolarHBondContact O-N 2.87Å; Q622-E624 VanDerWaalsContact C-N 3.3Å; E624-T626 PolarHBondContact O-N 3.1Å; E624-T626 PolarHBondContact O-OG1 3.02Å; E624-L645 HydrophobicContact CB-CD2 3.61Å; E624-L645 HydrophobicContact CG-CD1 4.4Å; E624-L645 HydrophobicContact CG-CD2 4.01Å
625D81.7Confident83.5Confident101 Ų10160.4 Ų60.454%0.5432%0.322SS..THydrogen-bonded Turntrans43.447.8-176.4-156.716.6000112.6L621L621-D625 PolarHBondContact O-N 3.28Å; L621-D625 VanDerWaalsContact O-N 3.1Å
626T86.3Confident84Confident1 Ų159.3 Ų59.31%0.00631%0.313CS..EExtended strand (participates in β ladder)trans-122.8131.5-174.2-65.70000110.7L621 E624 I628 I637 V638 C639 L649L621-T626 PolarHBondContact N-O 3.31Å; L621-T626 PolarHBondContact O-N 3.49Å; E624-T626 PolarHBondContact O-N 3.1Å; E624-T626 PolarHBondContact O-OG1 3.02Å; T626-I628 HydrophobicContact CG2-CG1 4.37Å; T626-I637 HydrophobicContact CG2-CG2 4.28Å; T626-V638 WeakPolarHBondContact CA-O 3.22Å; T626-V638 WeakPolarHBondContact CG2-O 3.15Å; T626-C639 HydrophobicContact CG2-CB 3.88Å; T626-C639 WeakPolarHBondContact OG1-CB 3.39Å; T626-L649 HydrophobicContact CG2-CD1 3.76Å
627L88.7Confident84.1Confident71 Ų7161.6 Ų61.637%0.37232%0.321SS..EExtended strand (participates in β ladder)trans-111.9129.4179.1-75.3159.6000110.1I618 L619 H620 I637 V638I618-L627 HydrophobicContact CG2-CD2 3.99Å; L619-L627 WeakPolarHBondContact O-CA 3.48Å; H620-L627 HydrophobicContact CB-CD2 3.88Å; L627-I637 WeakPolarHBondContact O-CA 3.4Å; L627-V638 HydrophobicContact CB-CB 4.34Å; L627-V638 PolarHBondContact N-O 3.24Å; L627-V638 PolarHBondContact O-N 2.79Å
628I88.9Confident83.9Confident0 Ų063.1 Ų63.10%034%0.335CS..EExtended strand (participates in β ladder)trans-121.3117.9175.8-54175.5000108.2F596 I618 L619 L621 T626 L630 H636 I637 L649F596-I628 HydrophobicContact CE1-CD1 4.04Å; F596-I628 HydrophobicContact CE1-CG2 4.47Å; F596-I628 HydrophobicContact CZ-CD1 4.29Å; I618-I628 CarbonylContact C-O 3.59Å; I618-I628 WeakPolarHBondContact CA-O 3.4Å; L619-I628 HydrophobicContact CB-CB 4.23Å; L619-I628 HydrophobicContact CD1-CB 4.38Å; L619-I628 HydrophobicContact CD1-CG2 4.36Å; L619-I628 PolarHBondContact N-O 3.06Å; L619-I628 PolarHBondContact O-N 3Å; L621-I628 HydrophobicContact CD1-CD1 3.87Å; L621-I628 HydrophobicContact CD1-CG1 4.23Å; T626-I628 HydrophobicContact CG2-CG1 4.37Å; I628-L630 HydrophobicContact CG2-CD2 4.01Å; I628-L630 HydrophobicContact CG2-CG 4.25Å; I628-H636 CarbonylContact C-O 3.6Å; I628-H636 WeakPolarHBondContact CA-O 3.25Å; I628-I637 HydrophobicContact CG1-CG1 4.29Å; I628-I637 HydrophobicContact CG1-CG2 4.27Å; I628-I637 HydrophobicContact CG2-CG1 4.16Å; I628-L649 HydrophobicContact CD1-CD2 4.11Å
629Q88.3Confident83.6Confident66 Ų6663.1 Ų63.131%0.30834%0.337SS..EExtended strand (participates in β ladder)trans-102.3123.1173.9-54.7177.8-45.300108.7H617 I618 T635 H636H617-Q629 WeakPolarHBondContact O-CA 3.44Å; I618-Q629 HydrophobicContact CG1-CG 4.16Å; I618-Q629 HydrophobicContact CG2-CG 4.42Å; Q629-T635 CarbonylContact O-C 3.3Å; Q629-T635 VanDerWaalsContact O-CA 3.31Å; Q629-T635 WeakPolarHBondContact O-CA 3.35Å; Q629-H636 HydrophobicContact CB-CB 4.22Å; Q629-H636 PolarHBondContact N-O 3.49Å; Q629-H636 PolarHBondContact O-N 3Å
630L87.8Confident83.1Confident11 Ų1168.4 Ų68.46%0.05837%0.366CS..EExtended strand (participates in β ladder)trans-111.5102.2176.1-61-179.2000108.5V591 L593 F596 G616 H617 L619 I628 T635V591-L630 HydrophobicContact CB-CD2 4.16Å; V591-L630 HydrophobicContact CG1-CD1 4.37Å; V591-L630 HydrophobicContact CG1-CD2 4.33Å; L593-L630 HydrophobicContact CD1-CD1 4.33Å; F596-L630 HydrophobicContact CD1-CD1 4.28Å; G616-L630 CarbonylContact C-O 3.52Å; G616-L630 WeakPolarHBondContact CA-O 3.47Å; H617-L630 PolarHBondContact N-O 3.45Å; H617-L630 PolarHBondContact O-N 3.44Å; L619-L630 HydrophobicContact CD1-CD1 3.61Å; L619-L630 HydrophobicContact CD1-CG 3.78Å; I628-L630 HydrophobicContact CG2-CD2 4.01Å; I628-L630 HydrophobicContact CG2-CG 4.25Å; L630-T635 HydrophobicContact CD2-CG2 3.59Å
631E84.8Confident82.5Confident70 Ų7074.5 Ų74.533%0.32740%0.4SS..EExtended strand (participates in β ladder)trans-111.6168.2-179.3-65175.5177.200110.4D633 G634E631-D633 VanDerWaalsContact C-N 3.28Å; E631-D633 PolarHBondContact O-N 3.15Å; E631-G634 PolarHBondContact N-O 3.44Å
632E71.9Confident82.1Confident198 Ų19878 Ų7893%0.92542%0.419SS*.SBendtrans-63.6-31.3178.1-75.6-163.8157.900113.4D615D615-E632 PolarHBondContact O-N 2.93Å
633D70.8Confident82.2Confident147 Ų14777.9 Ų77.979%0.78642%0.418SS*.SBendtrans-108.6-1.5-175.666.7-18.5000114.1E631E631-D633 VanDerWaalsContact C-N 3.28Å; E631-D633 PolarHBondContact O-N 3.15Å
634G80.9Confident82.5Confident19 Ų1978.8 Ų78.820%0.19642%0.418CS..  trans-166.2161.1-175.400000116.3E631E631-G634 PolarHBondContact N-O 3.44Å
635T85.4Confident82.9Confident58 Ų5877.2 Ų77.236%0.35641%0.411SS..EExtended strand (participates in β ladder)trans-127.8117167.1-65.10000108.7Q629 L630 I637Q629-T635 CarbonylContact O-C 3.3Å; Q629-T635 VanDerWaalsContact O-CA 3.31Å; Q629-T635 WeakPolarHBondContact O-CA 3.35Å; L630-T635 HydrophobicContact CD2-CG2 3.59Å; T635-I637 HydrophobicContact CG2-CG1 4.37Å
636H86.1Confident82.9Confident98 Ų9878.1 Ų78.145%0.45441%0.407SS..EExtended strand (participates in β ladder)trans-110.4129.6-179.9-64.5-86.9000110.1I628 Q629I628-H636 CarbonylContact C-O 3.6Å; I628-H636 WeakPolarHBondContact CA-O 3.25Å; Q629-H636 HydrophobicContact CB-CB 4.22Å; Q629-H636 PolarHBondContact N-O 3.49Å; Q629-H636 PolarHBondContact O-N 3Å
637I88.2Confident82.8Confident61 Ų6179.4 Ų79.431%0.31342%0.418SS..EExtended strand (participates in β ladder)trans-122116.6177.6-56.6172.7000107.7T626 L627 I628 T635 L649 V653T626-I637 HydrophobicContact CG2-CG2 4.28Å; L627-I637 WeakPolarHBondContact O-CA 3.4Å; I628-I637 HydrophobicContact CG1-CG1 4.29Å; I628-I637 HydrophobicContact CG1-CG2 4.27Å; I628-I637 HydrophobicContact CG2-CG1 4.16Å; T635-I637 HydrophobicContact CG2-CG1 4.37Å; I637-L649 HydrophobicContact CG2-CD1 4.26Å; I637-V653 HydrophobicContact CD1-CG2 4.08Å
638V85.6Confident82.7Confident91 Ų9179 Ų7955%0.55242%0.419SS*.EExtended strand (participates in β ladder)trans-109.4115.1176.1-174.90000107.3T626 L627T626-V638 WeakPolarHBondContact CA-O 3.22Å; T626-V638 WeakPolarHBondContact CG2-O 3.15Å; L627-V638 HydrophobicContact CB-CB 4.34Å; L627-V638 PolarHBondContact N-O 3.24Å; L627-V638 PolarHBondContact O-N 2.79Å
639C84.3Confident82.5Confident36 Ų3679.1 Ų79.124%0.24342%0.419CS..  trans-138150.5178.757.60000109.6T626T626-C639 HydrophobicContact CG2-CB 3.88Å; T626-C639 WeakPolarHBondContact OG1-CB 3.39Å
640D78.6Confident82.4Confident111 Ų11181.8 Ų81.859%0.59443%0.427SS*.  trans-69.1179.7171.1-87.9-8.3000111.9N642D640-N642 PolarHBondContact O-N 2.87Å
641N75Confident82.3Confident182 Ų18284.6 Ų84.697%0.97344%0.442SS*.SBendtrans-66.348.5-175.4-81.5-24.1000115
642N80.3Confident82.4Confident74 Ų7481.4 Ų81.440%0.39643%0.427SS..  trans-108.482.5176.9-169.9-12.8000110.4D640 P644 L645 R646D640-N642 PolarHBondContact O-N 2.87Å; N642-P644 WeakPolarHBondContact OD1-CD 3.5Å; N642-P644 VanDerWaalsContact OD1-CG 3.23Å; N642-P644 WeakPolarHBondContact OD1-CG 3.41Å; N642-L645 HydrophobicContact CB-CB 4.19Å; N642-L645 PolarHBondContact O-N 2.56Å; N642-L645 PolarHBondContact OD1-N 3.18Å; N642-R646 PolarHBondContact O-N 3.44Å
643E79.9Confident83Confident112 Ų11272.7 Ų72.752%0.52339%0.387SS..Hα-helixtrans-53.9-41.8179.8-83.2-70.4-175.600115.8R646 A647E643-R646 PolarHBondContact O-N 3.14Å; E643-R646 IonicContact OE1-CZ 3.65Å; E643-R646 IonicContact OE1-NE 3.6Å; E643-R646 IonicContact OE1-NH2 3.06Å; E643-R646 PolarHBondContact OE1-NH2 2.98Å; E643-R646 IonicContact OE2-CZ 3.29Å; E643-R646 VanDerWaalsContact OE2-CZ 3.29Å; E643-R646 IonicContact OE2-NE 2.85Å; E643-R646 PolarHBondContact OE2-NE 3.48Å; E643-R646 IonicContact OE2-NH2 2.85Å; E643-R646 PolarHBondContact OE2-NH2 3.47Å; E643-A647 WeakPolarHBondContact O-CB 3.43Å; E643-A647 PolarHBondContact O-N 2.96Å
644P83.3Confident83.7Confident93 Ų9368.7 Ų68.760%0.60437%0.365SS*.Hα-helixtrans-67.5-37.2179.819.8-28000113.3N642 T648N642-P644 WeakPolarHBondContact OD1-CD 3.5Å; N642-P644 VanDerWaalsContact OD1-CG 3.23Å; N642-P644 WeakPolarHBondContact OD1-CG 3.41Å; P644-T648 PolarHBondContact O-N 3.38Å; P644-T648 VanDerWaalsContact O-N 3.15Å; P644-T648 PolarHBondContact O-OG1 3.33Å
645L83.8Confident83.9Confident21 Ų2175.7 Ų75.711%0.1139%0.386CS..Hα-helixtrans-64.6-46172.8179.167000110.7I605 E624 N642 A647 T648 L649I605-L645 HydrophobicContact CD1-CD1 4.4Å; E624-L645 HydrophobicContact CB-CD2 3.61Å; E624-L645 HydrophobicContact CG-CD1 4.4Å; E624-L645 HydrophobicContact CG-CD2 4.01Å; N642-L645 HydrophobicContact CB-CB 4.19Å; N642-L645 PolarHBondContact O-N 2.56Å; N642-L645 PolarHBondContact OD1-N 3.18Å; L645-A647 VanDerWaalsContact C-N 3.34Å; L645-A647 PolarHBondContact O-N 3.41Å; L645-T648 PolarHBondContact O-N 2.93Å; L645-T648 VanDerWaalsContact O-N 3.14Å; L645-L649 HydrophobicContact CD1-CD1 4.24Å; L645-L649 HydrophobicContact CD1-CG 4.24Å; L645-L649 HydrophobicContact CG-CD1 4Å; L645-L649 HydrophobicContact CG-CG 4.37Å; L645-L649 WeakPolarHBondContact O-CG 3.38Å; L645-L649 PolarHBondContact O-N 3.43Å
646R82.5Confident83.7Confident120 Ų12075.3 Ų75.345%0.45338%0.379SS..Hα-helixtrans-58-44.2177.9-167.9-17576.9112.1-8.7112.4N642 E643 T648 R650N642-R646 PolarHBondContact O-N 3.44Å; E643-R646 PolarHBondContact O-N 3.14Å; E643-R646 IonicContact OE1-CZ 3.65Å; E643-R646 IonicContact OE1-NE 3.6Å; E643-R646 IonicContact OE1-NH2 3.06Å; E643-R646 PolarHBondContact OE1-NH2 2.98Å; E643-R646 IonicContact OE2-CZ 3.29Å; E643-R646 VanDerWaalsContact OE2-CZ 3.29Å; E643-R646 IonicContact OE2-NE 2.85Å; E643-R646 PolarHBondContact OE2-NE 3.48Å; E643-R646 IonicContact OE2-NH2 2.85Å; E643-R646 PolarHBondContact OE2-NH2 3.47Å; R646-T648 VanDerWaalsContact C-N 3.33Å; R646-T648 PolarHBondContact O-N 3.3Å; R646-R650 VanDerWaalsContact O-CB 3.31Å; R646-R650 WeakPolarHBondContact O-CB 3.49Å; R646-R650 PolarHBondContact O-N 3.18Å
647A84.1Confident83.4Confident29 Ų2972.4 Ų72.424%0.2437%0.367CS..Hα-helixtrans-63.7-39.7177.200000111.9E643 L645 D651E643-A647 WeakPolarHBondContact O-CB 3.43Å; E643-A647 PolarHBondContact O-N 2.96Å; L645-A647 VanDerWaalsContact C-N 3.34Å; L645-A647 PolarHBondContact O-N 3.41Å; A647-D651 WeakPolarHBondContact O-CB 3.47Å; A647-D651 PolarHBondContact O-N 3.4Å
648T85.4Confident82.7Confident63 Ų6375.1 Ų75.139%0.38738%0.378SS..Hα-helixtrans-68.7-48.7179.3-58.80000111P644 L645 R646 R650 D651 L652P644-T648 PolarHBondContact O-N 3.38Å; P644-T648 VanDerWaalsContact O-N 3.15Å; P644-T648 PolarHBondContact O-OG1 3.33Å; L645-T648 PolarHBondContact O-N 2.93Å; L645-T648 VanDerWaalsContact O-N 3.14Å; R646-T648 VanDerWaalsContact C-N 3.33Å; R646-T648 PolarHBondContact O-N 3.3Å; T648-R650 VanDerWaalsContact C-N 3.33Å; T648-R650 PolarHBondContact O-N 2.97Å; T648-D651 PolarHBondContact O-N 3.29Å; T648-L652 HydrophobicContact CG2-CD1 4.08Å; T648-L652 HydrophobicContact CG2-CG 4.38Å; T648-L652 WeakPolarHBondContact O-CB 3.23Å; T648-L652 VanDerWaalsContact O-CG 3.23Å; T648-L652 WeakPolarHBondContact O-CG 3.37Å; T648-L652 PolarHBondContact O-N 2.97Å
649L86.3Confident81.8Confident1 Ų178.3 Ų78.31%0.00539%0.385CS..Hα-helixtrans-59.5-42.7176.3-71.1176.1000111.9L600 I605 L621 T626 I628 I637 L645 L652 V653L600-L649 HydrophobicContact CD2-CD2 3.89Å; I605-L649 HydrophobicContact CD1-CD2 4.25Å; L621-L649 HydrophobicContact CD2-CD2 4.36Å; T626-L649 HydrophobicContact CG2-CD1 3.76Å; I628-L649 HydrophobicContact CD1-CD2 4.11Å; I637-L649 HydrophobicContact CG2-CD1 4.26Å; L645-L649 HydrophobicContact CD1-CD1 4.24Å; L645-L649 HydrophobicContact CD1-CG 4.24Å; L645-L649 HydrophobicContact CG-CD1 4Å; L645-L649 HydrophobicContact CG-CG 4.37Å; L645-L649 WeakPolarHBondContact O-CG 3.38Å; L645-L649 PolarHBondContact O-N 3.43Å; L649-L652 PolarHBondContact O-N 3.17Å; L649-V653 WeakPolarHBondContact O-CG2 3.41Å; L649-V653 PolarHBondContact O-N 3.44Å
650R85.3Confident80.6Confident123 Ų12380.4 Ų80.446%0.46439%0.393SS..Hα-helixtrans-55.7-53.7172.8-179.5-16268.6-155.6-4.5110.9R646 T648 L652 V653 L654R646-R650 VanDerWaalsContact O-CB 3.31Å; R646-R650 WeakPolarHBondContact O-CB 3.49Å; R646-R650 PolarHBondContact O-N 3.18Å; T648-R650 VanDerWaalsContact C-N 3.33Å; T648-R650 PolarHBondContact O-N 2.97Å; R650-L652 VanDerWaalsContact C-N 3.26Å; R650-L652 PolarHBondContact O-N 3.23Å; R650-V653 PolarHBondContact O-N 2.76Å; R650-L654 HydrophobicContact CG-CD1 3.89Å; R650-L654 HydrophobicContact CG-CG 4.3Å; R650-L654 WeakPolarHBondContact O-CB 3.5Å; R650-L654 WeakPolarHBondContact O-CG 3.36Å; R650-L654 PolarHBondContact O-N 3.38Å
651D85.6Confident80.7Confident70 Ų7078.9 Ų78.937%0.37438%0.383SS..Hα-helixtrans-67.3-29.7-175-67-9.6000112.1A647 T648 R655A647-D651 WeakPolarHBondContact O-CB 3.47Å; A647-D651 PolarHBondContact O-N 3.4Å; T648-D651 PolarHBondContact O-N 3.29Å; D651-R655 WeakPolarHBondContact O-CG 3.49Å
652L86.7Confident81Confident3 Ų373.4 Ų73.42%0.01635%0.352CS..Hα-helixtrans-67.9-47.3172.6-71.9178.5000112.1F596 T599 L600 H603 T648 L649 R650 L654 R655 F656F596-L652 HydrophobicContact CE2-CB 4.35Å; T599-L652 HydrophobicContact CG2-CD2 3.7Å; L600-L652 HydrophobicContact CD2-CD1 4.03Å; H603-L652 HydrophobicContact CB-CD1 4.45Å; T648-L652 HydrophobicContact CG2-CD1 4.08Å; T648-L652 HydrophobicContact CG2-CG 4.38Å; T648-L652 WeakPolarHBondContact O-CB 3.23Å; T648-L652 VanDerWaalsContact O-CG 3.23Å; T648-L652 WeakPolarHBondContact O-CG 3.37Å; T648-L652 PolarHBondContact O-N 2.97Å; L649-L652 PolarHBondContact O-N 3.17Å; R650-L652 VanDerWaalsContact C-N 3.26Å; R650-L652 PolarHBondContact O-N 3.23Å; L652-L654 VanDerWaalsContact C-N 3.35Å; L652-R655 PolarHBondContact O-N 2.91Å; L652-F656 VanDerWaalsContact O-CD2 3.3Å; L652-F656 WeakPolarHBondContact O-CD2 3.34Å
653V85.9Confident81Confident14 Ų1473.4 Ų73.49%0.08535%0.349CS..Hα-helixtrans-63.9-41.9177.7169.70000110.9V591 F596 I637 L649 R650 R655 F656 L657V591-V653 HydrophobicContact CG2-CG1 4.13Å; F596-V653 HydrophobicContact CE2-CG2 3.61Å; F596-V653 HydrophobicContact CZ-CG2 3.6Å; I637-V653 HydrophobicContact CD1-CG2 4.08Å; L649-V653 WeakPolarHBondContact O-CG2 3.41Å; L649-V653 PolarHBondContact O-N 3.44Å; R650-V653 PolarHBondContact O-N 2.76Å; V653-R655 PolarHBondContact O-N 3.03Å; V653-R655 VanDerWaalsContact O-N 3.11Å; V653-F656 PolarHBondContact O-N 3.32Å; V653-F656 VanDerWaalsContact O-N 3.07Å; V653-L657 HydrophobicContact CG1-CD1 4.16Å
654L84.9Confident81.1Confident64 Ų6471.1 Ų71.134%0.33534%0.339SS..Hα-helixtrans-60.1-22.9178.9-72.7178.1000114.1L587 R650 L652 F656 L657L587-L654 HydrophobicContact CD1-CD2 3.16Å; L587-L654 HydrophobicContact CD2-CD2 3.99Å; L587-L654 HydrophobicContact CG-CD2 4.2Å; R650-L654 HydrophobicContact CG-CD1 3.89Å; R650-L654 HydrophobicContact CG-CG 4.3Å; R650-L654 WeakPolarHBondContact O-CB 3.5Å; R650-L654 WeakPolarHBondContact O-CG 3.36Å; R650-L654 PolarHBondContact O-N 3.38Å; L652-L654 VanDerWaalsContact C-N 3.35Å; L654-F656 VanDerWaalsContact C-N 3.27Å; L654-F656 PolarHBondContact O-N 3.28Å; L654-L657 PolarHBondContact O-N 2.84Å
655R83.9Confident80.9Confident166 Ų16669.8 Ų69.863%0.62632%0.323SS*.THydrogen-bonded Turntrans-70-23.8177-72.2173.8-172.3-179.25113.4D651 L652 V653D651-R655 WeakPolarHBondContact O-CG 3.49Å; L652-R655 PolarHBondContact O-N 2.91Å; V653-R655 PolarHBondContact O-N 3.03Å; V653-R655 VanDerWaalsContact O-N 3.11Å
656F81.6Confident80.7Confident49 Ų4973 Ų7322%0.21534%0.337CS..THydrogen-bonded Turntrans-89.3-9178.7-65.5-80.4000112.7V591 P592 A595 F596 L652 V653 L654V591-F656 HydrophobicContact CG1-CB 4.38Å; V591-F656 HydrophobicContact CG1-CD2 4.21Å; V591-F656 HydrophobicContact CG1-CG 4.28Å; V591-F656 HydrophobicContact CG2-CB 4.18Å; P592-F656 HydrophobicContact CG-CD1 4.02Å; P592-F656 HydrophobicContact CG-CE1 4.28Å; A595-F656 HydrophobicContact CB-CE1 3.9Å; A595-F656 HydrophobicContact CB-CZ 4.42Å; F596-F656 AromaticContact CD2-CD2 3.96Å; F596-F656 HydrophobicContact CD2-CD2 3.96Å; F596-F656 AromaticContact CD2-CE2 3.62Å; F596-F656 HydrophobicContact CD2-CE2 3.62Å; F596-F656 HydrophobicContact CD2-CZ 4.41Å; F596-F656 HydrophobicContact CE2-CE2 4.4Å; L652-F656 VanDerWaalsContact O-CD2 3.3Å; L652-F656 WeakPolarHBondContact O-CD2 3.34Å; V653-F656 PolarHBondContact O-N 3.32Å; V653-F656 VanDerWaalsContact O-N 3.07Å; L654-F656 VanDerWaalsContact C-N 3.27Å; L654-F656 PolarHBondContact O-N 3.28Å
657L81.2Confident80.6Confident38 Ų3869.6 Ų69.620%0.19933%0.328CS..SBendtrans-105.7136.4-176.3-56176.9000110.7L587 G589 V591 V653 L654L587-L657 HydrophobicContact CB-CB 4Å; L587-L657 HydrophobicContact CB-CD1 3.94Å; L587-L657 HydrophobicContact CD1-CD1 4.24Å; L587-L657 HydrophobicContact CD2-CB 4.11Å; G589-L657 WeakPolarHBondContact O-CD2 3.45Å; V591-L657 HydrophobicContact CG2-CD2 4.21Å; V653-L657 HydrophobicContact CG1-CD1 4.16Å; L654-L657 PolarHBondContact O-N 2.84Å
658Q71.8Confident80.3Confident117 Ų11772.8 Ų72.855%0.54734%0.335SS..EExtended strand (participates in β ladder)trans-85.7138.5173-61.1178.7-7.400109.4L587 S588L587-Q658 CarbonylContact C-O 3.39Å; L587-Q658 WeakPolarHBondContact CA-O 3.41Å; S588-Q658 PolarHBondContact N-O 2.93Å; S588-Q658 WeakPolarHBondContact O-CB 3.21Å; S588-Q658 PolarHBondContact O-N 2.9Å
659K68.1Low79.9Confident158 Ų15873.6 Ų73.669%0.68733%0.331SS*.EExtended strand (participates in β ladder)trans-80123.6171.8-68179-178.1178.20108.6P585 L587P585-K659 HydrophobicContact CB-CB 4.15Å; P585-K659 HydrophobicContact CB-CG 4.35Å; P585-K659 HydrophobicContact CG-CD 4.16Å; P585-K659 HydrophobicContact CG-CG 4.38Å; L587-K659 HydrophobicContact CD2-CG 3.82Å
660L57.9Low79.3Confident80 Ų8080.2 Ų80.242%0.41936%0.361SS..  trans-85.20173.4-67.9174.6000111.9L586L586-L660 HydrophobicContact CB-CB 4.42Å; L586-L660 HydrophobicContact CB-CD1 4.37Å; L586-L660 WeakPolarHBondContact O-CB 3.42Å; L586-L660 PolarHBondContact O-N 2.65Å

Retrieved 660 of 660 residues in 810.6 ms (Link to these results)

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