A0A3Q0KIA7_SCHMA Loading...

Ribosomal RNA-processing protein 8

Probable methyltransferase required to silence rDNA.

AlphaFold DB , UniProt , Accession A0A3Q0KIA7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 264 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.9Very low58.2Low225 Ų225117.4 Ų117.4100%1.10856%0.555SS**  01230-99.5179.7-159.200109.5K3M1-K3 PolarHBondContact O-N 3.26Å
2M37.3Very low59.1Low196 Ų196114.3 Ų114.397%0.96655%0.55SS*.  trans-68.3110.7166.2-107.6-175.8177.100107.8F4M2-F4 PolarHBondContact O-N 3.14Å
3K48.4Very low59.2Low191 Ų191108.8 Ų108.883%0.8352%0.524SS*.  trans-59.3111.5169.5-73.8-170.7175.3-168.80108M1 N5M1-K3 PolarHBondContact O-N 3.26Å; K3-N5 PolarHBondContact O-N 3.07Å; K3-N5 VanDerWaalsContact O-N 3.12Å
4F56.1Low59.5Low105 Ų105105.1 Ų105.146%0.46152%0.516SS..  trans-67.5112.3177.8-177.6-93.8000108.7M2 L6 L9 F53M2-F4 PolarHBondContact O-N 3.14Å; F4-L6 HydrophobicContact CD1-CD1 4.31Å; F4-L6 PolarHBondContact O-N 3.07Å; F4-L9 HydrophobicContact CE1-CB 4.16Å; F4-L9 HydrophobicContact CE1-CD2 4.03Å; F4-L9 HydrophobicContact CZ-CB 3.98Å; F4-L9 HydrophobicContact CZ-CD2 3.84Å; F4-L9 HydrophobicContact CZ-CG 4.34Å; F4-F53 HydrophobicContact CB-CZ 4.3Å; F4-F53 AromaticContact CD1-CE1 3.61Å; F4-F53 HydrophobicContact CD1-CE1 3.61Å; F4-F53 AromaticContact CD1-CE2 3.8Å; F4-F53 HydrophobicContact CD1-CE2 3.8Å; F4-F53 AromaticContact CD1-CZ 3.13Å; F4-F53 HydrophobicContact CD1-CZ 3.13Å; F4-F53 HydrophobicContact CD2-CE2 4.19Å; F4-F53 HydrophobicContact CD2-CZ 4.24Å; F4-F53 HydrophobicContact CE1-CD1 4.13Å; F4-F53 HydrophobicContact CE1-CD2 4.2Å; F4-F53 AromaticContact CE1-CE1 3.57Å; F4-F53 HydrophobicContact CE1-CE1 3.57Å; F4-F53 AromaticContact CE1-CE2 3.64Å; F4-F53 HydrophobicContact CE1-CE2 3.64Å; F4-F53 HydrophobicContact CE1-CG 4.42Å; F4-F53 AromaticContact CE1-CZ 3.3Å; F4-F53 HydrophobicContact CE1-CZ 3.3Å; F4-F53 HydrophobicContact CE2-CE2 4.05Å; F4-F53 HydrophobicContact CE2-CZ 4.36Å; F4-F53 HydrophobicContact CG-CE2 4.06Å; F4-F53 AromaticContact CG-CZ 3.64Å; F4-F53 HydrophobicContact CG-CZ 3.64Å; F4-F53 HydrophobicContact CZ-CD2 4.18Å; F4-F53 HydrophobicContact CZ-CE1 4.45Å; F4-F53 AromaticContact CZ-CE2 3.76Å; F4-F53 HydrophobicContact CZ-CE2 3.76Å; F4-F53 AromaticContact CZ-CZ 3.93Å; F4-F53 HydrophobicContact CZ-CZ 3.93Å
5N65.4Low59.6Low84 Ų84109.9 Ų109.945%0.44953%0.533SS..  trans-86.5100.7-172.8-174.2-32.7000109.8K3 S7 K8 L9K3-N5 PolarHBondContact O-N 3.07Å; K3-N5 VanDerWaalsContact O-N 3.12Å; N5-S7 PolarHBondContact O-N 3.14Å; N5-S7 WeakPolarHBondContact OD1-CA 3.3Å; N5-S7 VanDerWaalsContact OD1-CB 3.24Å; N5-S7 WeakPolarHBondContact OD1-CB 3.33Å; N5-S7 PolarHBondContact OD1-N 3.36Å; N5-S7 PolarHBondContact OD1-OG 3.02Å; N5-K8 HydrophobicContact CB-CB 3.75Å; N5-K8 WeakPolarHBondContact O-CA 3.35Å; N5-K8 VanDerWaalsContact O-CB 3.24Å; N5-K8 WeakPolarHBondContact O-CB 3.35Å; N5-K8 PolarHBondContact O-N 3.1Å; N5-K8 PolarHBondContact OD1-N 2.86Å; N5-L9 PolarHBondContact O-N 2.78Å; N5-L9 VanDerWaalsContact O-N 3.07Å
6L61Low59Low30 Ų30109.1 Ų109.116%0.15754%0.537CS..Hα-helixtrans-52.8-37.7175.9-96.988.1000112.2F4 K8 L9 R10 M50 F53 D73F4-L6 HydrophobicContact CD1-CD1 4.31Å; F4-L6 PolarHBondContact O-N 3.07Å; L6-K8 VanDerWaalsContact C-N 3.27Å; L6-K8 PolarHBondContact O-N 3.4Å; L6-L9 PolarHBondContact O-N 3.1Å; L6-R10 PolarHBondContact O-N 3.32Å; L6-M50 HydrophobicContact CD2-CE 3.41Å; L6-M50 VanDerWaalsContact CD2-CE 3.41Å; L6-M50 HydrophobicContact CG-CE 3.84Å; L6-F53 HydrophobicContact CD1-CE1 4.48Å; L6-D73 HydrophobicContact CD2-CB 4.47Å; L6-D73 WeakPolarHBondContact CD2-OD2 3.37Å
7S67.7Low58.2Low56 Ų56112.4 Ų112.439%0.39255%0.547SS..Hα-helixtrans-63.8-34175.588.10000111.8N5 K11N5-S7 PolarHBondContact O-N 3.14Å; N5-S7 WeakPolarHBondContact OD1-CA 3.3Å; N5-S7 VanDerWaalsContact OD1-CB 3.24Å; N5-S7 WeakPolarHBondContact OD1-CB 3.33Å; N5-S7 PolarHBondContact OD1-N 3.36Å; N5-S7 PolarHBondContact OD1-OG 3.02Å; S7-K11 WeakPolarHBondContact O-CB 3.32Å; S7-K11 VanDerWaalsContact O-CG 3.23Å; S7-K11 WeakPolarHBondContact O-CG 3.39Å; S7-K11 PolarHBondContact O-N 2.85Å
8K69.7Low57.2Low139 Ų139117.2 Ų117.260%0.60457%0.565SS**Hα-helixtrans-69.2-40.5174.4-168.1178.8-179.4178.80111.2N5 L6 K11 T12N5-K8 HydrophobicContact CB-CB 3.75Å; N5-K8 WeakPolarHBondContact O-CA 3.35Å; N5-K8 VanDerWaalsContact O-CB 3.24Å; N5-K8 WeakPolarHBondContact O-CB 3.35Å; N5-K8 PolarHBondContact O-N 3.1Å; N5-K8 PolarHBondContact OD1-N 2.86Å; L6-K8 VanDerWaalsContact C-N 3.27Å; L6-K8 PolarHBondContact O-N 3.4Å; K8-K11 PolarHBondContact O-N 2.73Å; K8-T12 WeakPolarHBondContact O-CB 3.38Å; K8-T12 PolarHBondContact O-N 2.74Å; K8-T12 PolarHBondContact O-OG1 2.96Å
9L66.2Low56.1Low40 Ų40121.5 Ų121.521%0.20958%0.581CS.*Hα-helixtrans-63.1-47.4173.8-179.561.1000111.1F4 N5 L6 K11 T12 L13 M50F4-L9 HydrophobicContact CE1-CB 4.16Å; F4-L9 HydrophobicContact CE1-CD2 4.03Å; F4-L9 HydrophobicContact CZ-CB 3.98Å; F4-L9 HydrophobicContact CZ-CD2 3.84Å; F4-L9 HydrophobicContact CZ-CG 4.34Å; N5-L9 PolarHBondContact O-N 2.78Å; N5-L9 VanDerWaalsContact O-N 3.07Å; L6-L9 PolarHBondContact O-N 3.1Å; L9-K11 VanDerWaalsContact C-N 3.3Å; L9-K11 PolarHBondContact O-N 2.65Å; L9-T12 PolarHBondContact O-N 3.35Å; L9-L13 HydrophobicContact CD1-CD1 3.87Å; L9-L13 HydrophobicContact CD1-CG 4.02Å; L9-L13 HydrophobicContact CG-CD1 3.9Å; L9-L13 HydrophobicContact CG-CG 4.45Å; L9-L13 WeakPolarHBondContact O-CB 3.42Å; L9-L13 WeakPolarHBondContact O-CG 3.32Å; L9-L13 PolarHBondContact O-N 2.93Å; L9-M50 HydrophobicContact CD2-SD 3.37Å; L9-M50 WeakPolarHBondContact CD2-SD 3.42Å; L9-M50 HydrophobicContact CG-SD 4.04Å
10R65.4Low55.2Low93 Ų93121.4 Ų121.435%0.35159%0.591SS.*Hα-helixtrans-55.6-43.7173.1-73.6-174-179.3155.310.8111.5L6 S14 D73L6-R10 PolarHBondContact O-N 3.32Å; R10-S14 VanDerWaalsContact O-CB 3.32Å; R10-S14 WeakPolarHBondContact O-CB 3.29Å; R10-S14 PolarHBondContact O-N 2.9Å; R10-S14 PolarHBondContact O-OG 2.81Å; R10-D73 IonicContact CZ-OD2 3.08Å; R10-D73 IonicContact NH2-OD1 3.09Å; R10-D73 IonicContact NH2-OD2 2.7Å; R10-D73 PolarHBondContact NH2-OD2 2.89Å; R10-D73 VanDerWaalsContact NH2-OD2 3.09Å
11K68.6Low54.1Low132 Ų132126.8 Ų126.857%0.57460%0.604SS**Hα-helixtrans-65.8-40.3176-77.9173.6-177.3176.90113.5S7 K8 L9 S14 K15S7-K11 WeakPolarHBondContact O-CB 3.32Å; S7-K11 VanDerWaalsContact O-CG 3.23Å; S7-K11 WeakPolarHBondContact O-CG 3.39Å; S7-K11 PolarHBondContact O-N 2.85Å; K8-K11 PolarHBondContact O-N 2.73Å; L9-K11 VanDerWaalsContact C-N 3.3Å; L9-K11 PolarHBondContact O-N 2.65Å; K11-S14 PolarHBondContact O-OG 3.28Å; K11-K15 WeakPolarHBondContact O-CG 3.39Å; K11-K15 PolarHBondContact O-N 2.83Å
12T68.7Low53.8Low81 Ų81127.8 Ų127.850%0.49760%0.596SS.*Hα-helixtrans-69.3-43.2179.5-60.10000110.6K8 L9 K15K8-T12 WeakPolarHBondContact O-CB 3.38Å; K8-T12 PolarHBondContact O-N 2.74Å; K8-T12 PolarHBondContact O-OG1 2.96Å; L9-T12 PolarHBondContact O-N 3.35Å; T12-K15 PolarHBondContact O-N 3.05Å
13L60.4Low53.7Low42 Ų42126.7 Ų126.722%0.2259%0.588CS.*Hα-helixtrans-67.2-40.3176.9-67.7170.2000111.1L9 K15 T16 F42 I46 S49L9-L13 HydrophobicContact CD1-CD1 3.87Å; L9-L13 HydrophobicContact CD1-CG 4.02Å; L9-L13 HydrophobicContact CG-CD1 3.9Å; L9-L13 HydrophobicContact CG-CG 4.45Å; L9-L13 WeakPolarHBondContact O-CB 3.42Å; L9-L13 WeakPolarHBondContact O-CG 3.32Å; L9-L13 PolarHBondContact O-N 2.93Å; L13-K15 PolarHBondContact O-N 3.28Å; L13-T16 PolarHBondContact O-N 2.99Å; L13-T16 PolarHBondContact O-OG1 3.37Å; L13-F42 WeakPolarHBondContact O-CZ 3.11Å; L13-I46 HydrophobicContact CB-CD1 3.97Å; L13-I46 HydrophobicContact CB-CG1 3.84Å; L13-I46 HydrophobicContact CD1-CB 4.37Å; L13-I46 HydrophobicContact CD1-CG1 4.08Å; L13-I46 HydrophobicContact CD1-CG2 4.02Å; L13-S49 WeakPolarHBondContact CD1-OG 3.33Å
14S63.7Low52.9Low58 Ų58123.8 Ų123.841%0.40659%0.589SS.*Hα-helixtrans-63.1-24.7179.1710000114.5R10 K11R10-S14 VanDerWaalsContact O-CB 3.32Å; R10-S14 WeakPolarHBondContact O-CB 3.29Å; R10-S14 PolarHBondContact O-N 2.9Å; R10-S14 PolarHBondContact O-OG 2.81Å; K11-S14 PolarHBondContact O-OG 3.28Å
15K61.4Low51.9Low177 Ų177122.1 Ų122.177%0.7760%0.601SS**THydrogen-bonded Turntrans-74.2-18.6178.2-75.9178-179.6-171.70114.4K11 T12 L13 K17K11-K15 WeakPolarHBondContact O-CG 3.39Å; K11-K15 PolarHBondContact O-N 2.83Å; T12-K15 PolarHBondContact O-N 3.05Å; L13-K15 PolarHBondContact O-N 3.28Å; K15-K17 PolarHBondContact O-N 3.43Å; K15-K17 VanDerWaalsContact O-N 3.11Å
16T49.4Very low50.3Low97 Ų97127.9 Ų127.960%0.59562%0.622SS**THydrogen-bonded Turntrans-82.524.1-178.651.70000114.3L13 K18L13-T16 PolarHBondContact O-N 2.99Å; L13-T16 PolarHBondContact O-OG1 3.37Å; T16-K18 PolarHBondContact O-N 2.7Å
17K46Very low48.9Very low164 Ų164134.3 Ų134.371%0.71366%0.655SS**  trans-63.378.3165.3-75.9-174.8178.7178.90110.9K15 K19 F42K15-K17 PolarHBondContact O-N 3.43Å; K15-K17 VanDerWaalsContact O-N 3.11Å; K17-K19 PolarHBondContact O-N 3.46Å; K17-F42 HydrophobicContact CG-CZ 4.33Å
18K39.4Very low47.3Very low200 Ų200137.4 Ų137.487%0.8767%0.672SS**PPolyproline II helixtrans-75.1116.8155.9-82.7-173.9176.8177.30107.4T16T16-K18 PolarHBondContact O-N 2.7Å
19K35.7Very low45.3Very low198 Ų198140.4 Ų140.486%0.86169%0.685SS**PPolyproline II helixtrans-51.8130.6171.8-79.9179.9175.9175.30108.7K17 R21K17-K19 PolarHBondContact O-N 3.46Å; K19-R21 PolarHBondContact O-N 2.97Å
20P38Very low43.7Very low120 Ų120144.6 Ų144.678%0.77971%0.712SS**PPolyproline II helixtrans-62.4132.217721.9-29000110R22P20-R22 PolarHBondContact O-N 3.08Å; P20-R22 VanDerWaalsContact O-N 3.16Å
21R32.3Very low41.9Very low234 Ų234145.4 Ų145.488%0.88373%0.731SS**  trans-60.2114.8173.1-75.9-180174171.6-3.2108.1K19 H23K19-R21 PolarHBondContact O-N 2.97Å; R21-H23 PolarHBondContact O-N 3.32Å
22R28.9Very low40.1Very low246 Ų246149 Ų14993%0.92875%0.747SS**  trans-72.5111.2174-72.8-179.6169.5-178.4-4108.2P20P20-R22 PolarHBondContact O-N 3.08Å; P20-R22 VanDerWaalsContact O-N 3.16Å
23H34.7Very low38.4Very low174 Ų174153.4 Ų153.481%0.80676%0.761SS**  trans-92.7134.3158.2-88.6-70.9000109R21 G25R21-H23 PolarHBondContact O-N 3.32Å; H23-G25 PolarHBondContact O-N 2.87Å
24P32.7Very low37.2Very low130 Ų130161.5 Ų161.584%0.84480%0.795SS**  trans-80.9117.2-179.732-29000109
25G34.2Very low35.8Very low70 Ų70166.4 Ų166.472%0.72281%0.809SS**  trans-153133.1178.900000111.3H23H23-G25 PolarHBondContact O-N 2.87Å
26K33.1Very low34.8Very low205 Ų205165 Ų16589%0.89181%0.81SS**  trans-43.5138.1-161.6-70.1170.2175.3177.30117.5V28K26-V28 PolarHBondContact O-N 3.36Å
27I31.1Very low34.7Very low165 Ų165166 Ų16685%0.84682%0.818SS**  trans-70.5112.7172.6-61.8165.2000109
28V34.1Very low35.1Very low121 Ų121166.2 Ų166.273%0.73382%0.819SS**  trans-110.2122.7164.2-179.40000108.3K26 V30K26-V28 PolarHBondContact O-N 3.36Å; V28-V30 HydrophobicContact CG1-CG2 4.49Å; V28-V30 PolarHBondContact O-N 2.95Å
29K27.5Very low36Very low202 Ų202164.2 Ų164.288%0.87881%0.811SS**  trans-71.4117.3177-71.7177176.3174.20109.1
30V31.9Very low37.9Very low128 Ų128158.9 Ų158.978%0.77679%0.792SS**  trans-125.3138.9165.2-178.50000109.3V28V28-V30 HydrophobicContact CG1-CG2 4.49Å; V28-V30 PolarHBondContact O-N 2.95Å
31S27.9Very low40.1Very low109 Ų109158.4 Ų158.476%0.76279%0.786SS**  trans-60.1159.9-167.147.10000116H33S31-H33 PolarHBondContact O-N 3.08Å
32K30.1Very low42.6Very low207 Ų207149.3 Ų149.390%0.975%0.753SS**  trans-69.889-173.9-63.6173.6178.8174.10111.6
33H33.6Very low45.3Very low174 Ų174141.5 Ų141.581%0.80673%0.73SS**  trans-92.2131.5151.9-103.8-4.5000109.2S31 K35S31-H33 PolarHBondContact O-N 3.08Å; H33-K35 VanDerWaalsContact C-N 3.32Å; H33-K35 PolarHBondContact O-N 3.32Å
34F34.6Very low47.8Very low213 Ų213136 Ų13693%0.93471%0.71SS**  trans-50.293.9175.5-86.2-99.2000109.3N36F34-N36 PolarHBondContact O-N 3.49Å
35K34.3Very low50.4Low161 Ų161134.8 Ų134.870%0.770%0.696SS**  trans-72.7102.1173.2-76.9174.3-178.7164.20105.6H33H33-K35 VanDerWaalsContact C-N 3.32Å; H33-K35 PolarHBondContact O-N 3.32Å
36N41Very low53.1Low148 Ų148132.5 Ų132.579%0.79167%0.667SS**  trans-40.9129.3152.5-103.9-16.5000107F34 K38F34-N36 PolarHBondContact O-N 3.49Å; N36-K38 PolarHBondContact O-N 3.46Å
37P47Very low55.9Low117 Ų117124.7 Ų124.776%0.7664%0.635SS**  trans-53112-171.819.6-30.6000107.2K39P37-K39 PolarHBondContact O-N 3.26Å
38K54.1Low58.7Low168 Ų168118.5 Ų118.573%0.7361%0.607SS**  trans-54.7106.1-177.1-72.7-175.3174.4-171.70105.9N36 N40N36-K38 PolarHBondContact O-N 3.46Å; K38-N40 PolarHBondContact O-N 3.48Å
39K59.6Low61.5Low159 Ų159114 Ų11469%0.69158%0.58SS**  trans-45.6121171.1-83.2-171.2174.2-172.60105.6P37 T41 E82P37-K39 PolarHBondContact O-N 3.26Å; K39-T41 PolarHBondContact O-N 3.25Å; K39-E82 IonicContact NZ-OE1 3.17Å; K39-E82 PolarHBondContact NZ-OE1 2.94Å; K39-E82 VanDerWaalsContact NZ-OE1 3.17Å
40N75.8Confident64.6Low86 Ų86104.3 Ų104.346%0.4654%0.538SS..  trans-54.5126.1-174.8174.49.2000108.4K38 F42 D43 C44K38-N40 PolarHBondContact O-N 3.48Å; N40-F42 PolarHBondContact O-N 3.11Å; N40-F42 PolarHBondContact OD1-N 3.11Å; N40-D43 HydrophobicContact CB-CB 4.47Å; N40-D43 WeakPolarHBondContact CB-OD2 3.46Å; N40-D43 PolarHBondContact O-N 3.34Å; N40-C44 PolarHBondContact O-N 2.81Å
41T83.3Confident67.6Low109 Ų10998.8 Ų98.867%0.66950%0.504SS*.Hα-helixtrans-51.1-33.5-175.5-51.10000111.8K39 C44 L45K39-T41 PolarHBondContact O-N 3.25Å; T41-C44 PolarHBondContact O-N 3.4Å; T41-L45 WeakPolarHBondContact O-CG 3.34Å; T41-L45 PolarHBondContact O-N 2.66Å; T41-L45 VanDerWaalsContact O-N 3.12Å
42F84.4Confident70.6Confident44 Ų4497.4 Ų97.419%0.19348%0.482CS..Hα-helixtrans-65.5-45.3177.1-172.2-106.4000113.5L13 K17 N40 C44 L45 I46L13-F42 WeakPolarHBondContact O-CZ 3.11Å; K17-F42 HydrophobicContact CG-CZ 4.33Å; N40-F42 PolarHBondContact O-N 3.11Å; N40-F42 PolarHBondContact OD1-N 3.11Å; F42-C44 VanDerWaalsContact C-N 3.28Å; F42-C44 PolarHBondContact O-N 3.17Å; F42-L45 PolarHBondContact O-N 2.8Å; F42-I46 HydrophobicContact CD1-CD1 3.65Å; F42-I46 HydrophobicContact CD1-CG1 4.47Å; F42-I46 HydrophobicContact CE1-CD1 3.39Å; F42-I46 HydrophobicContact CE1-CG1 4.42Å; F42-I46 HydrophobicContact CG-CD1 4.48Å; F42-I46 HydrophobicContact CZ-CD1 4.02Å; F42-I46 WeakPolarHBondContact O-CG1 3.39Å; F42-I46 PolarHBondContact O-N 2.74Å
43D86.8Confident73.6Confident82 Ų8289.7 Ų89.744%0.43945%0.448SS..Hα-helixtrans-65.8-36.6178.9-61-26.7000110.5N40 L45 I46 N47N40-D43 HydrophobicContact CB-CB 4.47Å; N40-D43 WeakPolarHBondContact CB-OD2 3.46Å; N40-D43 PolarHBondContact O-N 3.34Å; D43-L45 PolarHBondContact O-N 2.94Å; D43-I46 PolarHBondContact O-N 2.84Å; D43-N47 PolarHBondContact O-N 2.85Å
44C86.1Confident76.5Confident57 Ų5781.6 Ų81.639%0.38541%0.411SS..Hα-helixtrans-61.1-42.2173.4-173.70000112.5N40 T41 F42 S48N40-C44 PolarHBondContact O-N 2.81Å; T41-C44 PolarHBondContact O-N 3.4Å; F42-C44 VanDerWaalsContact C-N 3.28Å; F42-C44 PolarHBondContact O-N 3.17Å; C44-S48 WeakPolarHBondContact O-CB 3.22Å; C44-S48 PolarHBondContact O-N 3.03Å; C44-S48 PolarHBondContact O-OG 3.09Å
45L88.3Confident79.4Confident106 Ų10671.8 Ų71.856%0.55537%0.368SS*.Hα-helixtrans-65.2-42.9176.3-72.6170.4000111.6T41 F42 D43 S48 S49T41-L45 WeakPolarHBondContact O-CG 3.34Å; T41-L45 PolarHBondContact O-N 2.66Å; T41-L45 VanDerWaalsContact O-N 3.12Å; F42-L45 PolarHBondContact O-N 2.8Å; D43-L45 PolarHBondContact O-N 2.94Å; L45-S48 PolarHBondContact O-N 3.45Å; L45-S49 PolarHBondContact O-N 3.32Å
46I90.5Very high82.2Confident21 Ų2168.7 Ų68.711%0.10836%0.356CS..Hα-helixtrans-59.8-54.4176.3-68.3176.7000109.9L13 F42 D43 S48 S49 M50L13-I46 HydrophobicContact CB-CD1 3.97Å; L13-I46 HydrophobicContact CB-CG1 3.84Å; L13-I46 HydrophobicContact CD1-CB 4.37Å; L13-I46 HydrophobicContact CD1-CG1 4.08Å; L13-I46 HydrophobicContact CD1-CG2 4.02Å; F42-I46 HydrophobicContact CD1-CD1 3.65Å; F42-I46 HydrophobicContact CD1-CG1 4.47Å; F42-I46 HydrophobicContact CE1-CD1 3.39Å; F42-I46 HydrophobicContact CE1-CG1 4.42Å; F42-I46 HydrophobicContact CG-CD1 4.48Å; F42-I46 HydrophobicContact CZ-CD1 4.02Å; F42-I46 WeakPolarHBondContact O-CG1 3.39Å; F42-I46 PolarHBondContact O-N 2.74Å; D43-I46 PolarHBondContact O-N 2.84Å; I46-S48 PolarHBondContact O-N 3.25Å; I46-S49 PolarHBondContact O-N 3.13Å; I46-S49 PolarHBondContact O-OG 2.83Å; I46-M50 HydrophobicContact CG2-CG 4.16Å; I46-M50 WeakPolarHBondContact O-CG 3.45Å; I46-M50 PolarHBondContact O-N 3.29Å
47N91Very high84.8Confident41 Ų4165.6 Ų65.622%0.21934%0.336CS..Hα-helixtrans-61.2-34.4-178.5-73.48000112.1D43 M50 F51 I79 E82D43-N47 PolarHBondContact O-N 2.85Å; N47-M50 PolarHBondContact O-N 3Å; N47-F51 WeakPolarHBondContact O-CB 3.26Å; N47-F51 PolarHBondContact O-N 3.39Å; N47-I79 HydrophobicContact CB-CG2 4.34Å; N47-E82 PolarHBondContact ND2-OE2 2.85Å
48S91.2Very high87.1Confident36 Ų3660.8 Ų60.825%0.25230%0.304SS..Hα-helixtrans-68.6-33.8174.9-53.60000113.1C44 L45 I46 R52 R86C44-S48 WeakPolarHBondContact O-CB 3.22Å; C44-S48 PolarHBondContact O-N 3.03Å; C44-S48 PolarHBondContact O-OG 3.09Å; L45-S48 PolarHBondContact O-N 3.45Å; I46-S48 PolarHBondContact O-N 3.25Å; S48-R52 WeakPolarHBondContact O-CG 3.46Å; S48-R52 PolarHBondContact O-N 2.83Å; S48-R52 PolarHBondContact O-NE 3.02Å; S48-R86 PolarHBondContact OG-NH1 3.33Å
49S92Very high89.1Confident25 Ų2553.5 Ų53.518%0.17527%0.272CS..Hα-helixtrans-72.4-40.5173.4680000112.2L13 L45 I46 R52 F53L13-S49 WeakPolarHBondContact CD1-OG 3.33Å; L45-S49 PolarHBondContact O-N 3.32Å; I46-S49 PolarHBondContact O-N 3.13Å; I46-S49 PolarHBondContact O-OG 2.83Å; S49-R52 PolarHBondContact O-N 2.99Å; S49-F53 PolarHBondContact O-N 3.38Å; S49-F53 VanDerWaalsContact O-N 3.1Å
50M92.8Very high90.8Very high0 Ų049.1 Ų49.10%026%0.258CS..Hα-helixtrans-62.1-46.2175.3-69.7-61.9-52.900111.4L6 L9 I46 N47 R52 F53 L54 I79L6-M50 HydrophobicContact CD2-CE 3.41Å; L6-M50 VanDerWaalsContact CD2-CE 3.41Å; L6-M50 HydrophobicContact CG-CE 3.84Å; L9-M50 HydrophobicContact CD2-SD 3.37Å; L9-M50 WeakPolarHBondContact CD2-SD 3.42Å; L9-M50 HydrophobicContact CG-SD 4.04Å; I46-M50 HydrophobicContact CG2-CG 4.16Å; I46-M50 WeakPolarHBondContact O-CG 3.45Å; I46-M50 PolarHBondContact O-N 3.29Å; N47-M50 PolarHBondContact O-N 3Å; M50-R52 PolarHBondContact O-N 2.86Å; M50-F53 PolarHBondContact O-N 2.83Å; M50-L54 WeakPolarHBondContact O-CB 3.41Å; M50-L54 VanDerWaalsContact O-CG 3.3Å; M50-L54 WeakPolarHBondContact O-CG 3.38Å; M50-L54 PolarHBondContact O-N 3Å; M50-I79 HydrophobicContact CB-CG2 3.63Å
51F94.5Very high91.8Very high12 Ų1245.5 Ų45.55%0.05324%0.239CC..Hα-helixtrans-55.4-51176.1167.1-114.2000112N47 F53 L54 N55 Y80N47-F51 WeakPolarHBondContact O-CB 3.26Å; N47-F51 PolarHBondContact O-N 3.39Å; F51-F53 VanDerWaalsContact C-N 3.3Å; F51-F53 PolarHBondContact O-N 3.33Å; F51-L54 PolarHBondContact O-N 3.45Å; F51-N55 HydrophobicContact CE2-CB 4.25Å; F51-N55 HydrophobicContact CZ-CB 4.42Å; F51-N55 VanDerWaalsContact O-CB 3.3Å; F51-N55 WeakPolarHBondContact O-CB 3.3Å; F51-N55 PolarHBondContact O-N 2.88Å; F51-Y80 AromaticContact CD2-CD2 3.96Å; F51-Y80 HydrophobicContact CD2-CD2 3.96Å; F51-Y80 HydrophobicContact CD2-CE2 4.44Å; F51-Y80 WeakPolarHBondContact CD2-O 3.42Å; F51-Y80 AromaticContact CE2-CD2 3.93Å; F51-Y80 HydrophobicContact CE2-CD2 3.93Å; F51-Y80 AromaticContact CE2-CE2 3.97Å; F51-Y80 HydrophobicContact CE2-CE2 3.97Å; F51-Y80 WeakPolarHBondContact CE2-O 3.41Å
52R92.3Very high92.5Very high80 Ų8042.1 Ų42.130%0.30222%0.219SC..Hα-helixtrans-60.3-42.1179.9-70.4-174.9-67.2135.5-0.6112S48 S49 M50 E56 Y261S48-R52 WeakPolarHBondContact O-CG 3.46Å; S48-R52 PolarHBondContact O-N 2.83Å; S48-R52 PolarHBondContact O-NE 3.02Å; S49-R52 PolarHBondContact O-N 2.99Å; M50-R52 PolarHBondContact O-N 2.86Å; R52-E56 WeakPolarHBondContact O-CB 3.44Å; R52-E56 PolarHBondContact O-N 2.89Å; R52-Y261 HydrophobicContact CB-CD1 4.39Å; R52-Y261 HydrophobicContact CB-CD2 4.05Å; R52-Y261 HydrophobicContact CB-CE1 4.38Å; R52-Y261 HydrophobicContact CB-CE2 4.02Å; R52-Y261 HydrophobicContact CB-CG 4.22Å; R52-Y261 HydrophobicContact CG-CD1 3.84Å; R52-Y261 HydrophobicContact CG-CD2 4.36Å; R52-Y261 HydrophobicContact CG-CE1 3.7Å; R52-Y261 HydrophobicContact CG-CE2 4.23Å; R52-Y261 HydrophobicContact CG-CG 4.16Å; R52-Y261 WeakPolarHBondContact O-CE2 3.4Å
53F93Very high93.1Very high45 Ų4540.4 Ų40.420%0.19721%0.212CC..Hα-helixtrans-61.8-48.3176.1173.2-94.6000111.9F4 L6 S49 M50 F51 E56 K57F4-F53 HydrophobicContact CB-CZ 4.3Å; F4-F53 AromaticContact CD1-CE1 3.61Å; F4-F53 HydrophobicContact CD1-CE1 3.61Å; F4-F53 AromaticContact CD1-CE2 3.8Å; F4-F53 HydrophobicContact CD1-CE2 3.8Å; F4-F53 AromaticContact CD1-CZ 3.13Å; F4-F53 HydrophobicContact CD1-CZ 3.13Å; F4-F53 HydrophobicContact CD2-CE2 4.19Å; F4-F53 HydrophobicContact CD2-CZ 4.24Å; F4-F53 HydrophobicContact CE1-CD1 4.13Å; F4-F53 HydrophobicContact CE1-CD2 4.2Å; F4-F53 AromaticContact CE1-CE1 3.57Å; F4-F53 HydrophobicContact CE1-CE1 3.57Å; F4-F53 AromaticContact CE1-CE2 3.64Å; F4-F53 HydrophobicContact CE1-CE2 3.64Å; F4-F53 HydrophobicContact CE1-CG 4.42Å; F4-F53 AromaticContact CE1-CZ 3.3Å; F4-F53 HydrophobicContact CE1-CZ 3.3Å; F4-F53 HydrophobicContact CE2-CE2 4.05Å; F4-F53 HydrophobicContact CE2-CZ 4.36Å; F4-F53 HydrophobicContact CG-CE2 4.06Å; F4-F53 AromaticContact CG-CZ 3.64Å; F4-F53 HydrophobicContact CG-CZ 3.64Å; F4-F53 HydrophobicContact CZ-CD2 4.18Å; F4-F53 HydrophobicContact CZ-CE1 4.45Å; F4-F53 AromaticContact CZ-CE2 3.76Å; F4-F53 HydrophobicContact CZ-CE2 3.76Å; F4-F53 AromaticContact CZ-CZ 3.93Å; F4-F53 HydrophobicContact CZ-CZ 3.93Å; L6-F53 HydrophobicContact CD1-CE1 4.48Å; S49-F53 PolarHBondContact O-N 3.38Å; S49-F53 VanDerWaalsContact O-N 3.1Å; M50-F53 PolarHBondContact O-N 2.83Å; F51-F53 VanDerWaalsContact C-N 3.3Å; F51-F53 PolarHBondContact O-N 3.33Å; F53-E56 PolarHBondContact O-N 2.84Å; F53-K57 HydrophobicContact CD1-CG 4.29Å; F53-K57 HydrophobicContact CE1-CG 3.79Å; F53-K57 HydrophobicContact CE2-CG 4.05Å; F53-K57 HydrophobicContact CZ-CD 4.13Å; F53-K57 HydrophobicContact CZ-CG 3.65Å; F53-K57 WeakPolarHBondContact O-CB 3.33Å; F53-K57 VanDerWaalsContact O-CG 3.31Å; F53-K57 WeakPolarHBondContact O-CG 3.09Å; F53-K57 PolarHBondContact O-N 2.99Å
54L94.9Very high93.6Very high3 Ų343.2 Ų43.22%0.01622%0.223CC..Hα-helixtrans-62.5-46.8178.5-70.9165.9000110.9M50 F51 E56 K57 L58 I69 F70 S76 I79 Y80M50-L54 WeakPolarHBondContact O-CB 3.41Å; M50-L54 VanDerWaalsContact O-CG 3.3Å; M50-L54 WeakPolarHBondContact O-CG 3.38Å; M50-L54 PolarHBondContact O-N 3Å; F51-L54 PolarHBondContact O-N 3.45Å; L54-E56 PolarHBondContact O-N 3.16Å; L54-K57 WeakPolarHBondContact O-CA 3.31Å; L54-K57 WeakPolarHBondContact O-CB 3.18Å; L54-K57 PolarHBondContact O-N 3.17Å; L54-K57 VanDerWaalsContact O-N 3.07Å; L54-L58 WeakPolarHBondContact O-CG 3.34Å; L54-L58 PolarHBondContact O-N 2.94Å; L54-I69 HydrophobicContact CD2-CG2 4.33Å; L54-F70 HydrophobicContact CD2-CE1 4.47Å; L54-S76 VanDerWaalsContact CD1-O 3.27Å; L54-S76 WeakPolarHBondContact CD1-O 3.34Å; L54-I79 HydrophobicContact CD1-CG2 4.38Å; L54-Y80 HydrophobicContact CB-CD2 4.26Å
55N94.7Very high94.2Very high7 Ų744.7 Ų44.74%0.03722%0.224CC..Hα-helixtrans-60-46.7178.7-168.658.9000111.5F51 K57 L58 Y59 Y80 M173 Y261F51-N55 HydrophobicContact CE2-CB 4.25Å; F51-N55 HydrophobicContact CZ-CB 4.42Å; F51-N55 VanDerWaalsContact O-CB 3.3Å; F51-N55 WeakPolarHBondContact O-CB 3.3Å; F51-N55 PolarHBondContact O-N 2.88Å; N55-K57 VanDerWaalsContact C-N 3.29Å; N55-K57 PolarHBondContact O-N 2.89Å; N55-L58 PolarHBondContact O-N 2.93Å; N55-Y59 WeakPolarHBondContact ND2-CE2 3.46Å; N55-Y59 WeakPolarHBondContact O-CD2 3.33Å; N55-Y59 PolarHBondContact O-N 3.37Å; N55-Y59 WeakPolarHBondContact OD1-CE2 3.43Å; N55-Y80 HydrophobicContact CB-CE2 4.11Å; N55-M173 WeakPolarHBondContact OD1-CE 3.08Å; N55-Y261 HydrophobicContact CB-CE2 4.04Å; N55-Y261 WeakPolarHBondContact CB-OH 3.39Å; N55-Y261 PolarHBondContact ND2-OH 3.44Å
56E93.4Very high94.6Very high96 Ų9639.8 Ų39.845%0.44920%0.199SC..Hα-helixtrans-60.4-39173.6-175.2179.4163.500112.1R52 F53 L54 Y59 T60 Y261R52-E56 WeakPolarHBondContact O-CB 3.44Å; R52-E56 PolarHBondContact O-N 2.89Å; F53-E56 PolarHBondContact O-N 2.84Å; L54-E56 PolarHBondContact O-N 3.16Å; E56-Y59 PolarHBondContact O-N 2.73Å; E56-T60 WeakPolarHBondContact O-CG2 3.45Å; E56-T60 PolarHBondContact O-N 3.09Å; E56-T60 PolarHBondContact O-OG1 2.85Å; E56-Y261 HydrophobicContact CB-CD2 4.45Å
57K94.6Very high94.9Very high83 Ų8340.4 Ų40.436%0.36121%0.207SC..Hα-helixtrans-62.3-46.9176.9-81.4-73.9158.7-155.90112.3F53 L54 N55 Y59 T60 C61F53-K57 HydrophobicContact CD1-CG 4.29Å; F53-K57 HydrophobicContact CE1-CG 3.79Å; F53-K57 HydrophobicContact CE2-CG 4.05Å; F53-K57 HydrophobicContact CZ-CD 4.13Å; F53-K57 HydrophobicContact CZ-CG 3.65Å; F53-K57 WeakPolarHBondContact O-CB 3.33Å; F53-K57 VanDerWaalsContact O-CG 3.31Å; F53-K57 WeakPolarHBondContact O-CG 3.09Å; F53-K57 PolarHBondContact O-N 2.99Å; L54-K57 WeakPolarHBondContact O-CA 3.31Å; L54-K57 WeakPolarHBondContact O-CB 3.18Å; L54-K57 PolarHBondContact O-N 3.17Å; L54-K57 VanDerWaalsContact O-N 3.07Å; N55-K57 VanDerWaalsContact C-N 3.29Å; N55-K57 PolarHBondContact O-N 2.89Å; K57-Y59 PolarHBondContact O-N 2.85Å; K57-Y59 VanDerWaalsContact O-N 3.16Å; K57-T60 WeakPolarHBondContact CA-OG1 3.37Å; K57-T60 CarbonylContact O-C 3.48Å; K57-T60 PolarHBondContact O-N 2.78Å; K57-T60 PolarHBondContact O-OG1 2.91Å; K57-C61 PolarHBondContact O-N 3.33Å; K57-C61 VanDerWaalsContact O-N 3.11Å; K57-C61 PolarHBondContact O-SG 3Å
58L96.1Very high95.2Very high16 Ų1641.6 Ų41.68%0.08422%0.216CC..Hα-helixtrans-59.2-28178.3-66.2176.8000113.1L54 N55 A66 F70 Y80 M173 G174L54-L58 WeakPolarHBondContact O-CG 3.34Å; L54-L58 PolarHBondContact O-N 2.94Å; N55-L58 PolarHBondContact O-N 2.93Å; L58-A66 HydrophobicContact CD2-CB 3.5Å; L58-F70 HydrophobicContact CD1-CE2 4.44Å; L58-F70 HydrophobicContact CD1-CZ 4.12Å; L58-F70 HydrophobicContact CD2-CE2 3.64Å; L58-F70 HydrophobicContact CD2-CZ 3.88Å; L58-F70 HydrophobicContact CG-CZ 4.41Å; L58-Y80 HydrophobicContact CD1-CD1 4.45Å; L58-Y80 HydrophobicContact CD1-CD2 3.92Å; L58-Y80 HydrophobicContact CD1-CE1 4.07Å; L58-Y80 HydrophobicContact CD1-CE2 3.49Å; L58-Y80 VanDerWaalsContact CD1-CE2 3.49Å; L58-Y80 HydrophobicContact CD1-CG 4.39Å; L58-M173 HydrophobicContact CB-CB 4.25Å; L58-M173 HydrophobicContact CB-CE 3.55Å; L58-M173 HydrophobicContact CB-SD 4.13Å; L58-M173 HydrophobicContact CD1-CE 3.74Å; L58-M173 HydrophobicContact CD1-SD 4Å; L58-M173 HydrophobicContact CG-CE 4.3Å; L58-M173 CarbonylContact O-C 3.49Å; L58-M173 VanDerWaalsContact O-C 3.31Å; L58-G174 PolarHBondContact O-N 3.06Å
59Y95.4Very high95.4Very high16 Ų1642.1 Ų42.16%0.06322%0.216CC..THydrogen-bonded Turntrans-83.3-8.1173.5-68.6-65.5000115.4N55 E56 K57 M173 R202 P258 C259N55-Y59 WeakPolarHBondContact ND2-CE2 3.46Å; N55-Y59 WeakPolarHBondContact O-CD2 3.33Å; N55-Y59 PolarHBondContact O-N 3.37Å; N55-Y59 WeakPolarHBondContact OD1-CE2 3.43Å; E56-Y59 PolarHBondContact O-N 2.73Å; K57-Y59 PolarHBondContact O-N 2.85Å; K57-Y59 VanDerWaalsContact O-N 3.16Å; Y59-M173 WeakPolarHBondContact CA-O 3.47Å; Y59-M173 HydrophobicContact CD1-CB 3.79Å; Y59-M173 HydrophobicContact CD1-CG 4.19Å; Y59-M173 HydrophobicContact CD2-CE 4.06Å; Y59-M173 HydrophobicContact CE1-CB 3.73Å; Y59-M173 HydrophobicContact CE1-CE 4.05Å; Y59-M173 HydrophobicContact CE1-CG 3.59Å; Y59-M173 HydrophobicContact CE2-CE 3.46Å; Y59-M173 VanDerWaalsContact CE2-CE 3.46Å; Y59-M173 HydrophobicContact CG-CB 4.5Å; Y59-M173 VanDerWaalsContact CZ-CE 3.47Å; Y59-R202 VanDerWaalsContact CD1-CZ 3.48Å; Y59-R202 VanDerWaalsContact CE1-NE 3.27Å; Y59-P258 HydrophobicContact CG-CB 4.36Å; Y59-C259 HydrophobicContact CD2-CB 3.7Å; Y59-C259 HydrophobicContact CE2-CB 3.44Å; Y59-C259 VanDerWaalsContact CE2-CB 3.44Å; Y59-C259 VanDerWaalsContact CE2-SG 3.54Å
60T95.5Very high95.6Very high66 Ų6641.1 Ų41.141%0.40521%0.208SC..THydrogen-bonded Turntrans-125.39.1-171.455.40000113.3E56 K57 P258E56-T60 WeakPolarHBondContact O-CG2 3.45Å; E56-T60 PolarHBondContact O-N 3.09Å; E56-T60 PolarHBondContact O-OG1 2.85Å; K57-T60 WeakPolarHBondContact CA-OG1 3.37Å; K57-T60 CarbonylContact O-C 3.48Å; K57-T60 PolarHBondContact O-N 2.78Å; K57-T60 PolarHBondContact O-OG1 2.91Å; T60-P258 HydrophobicContact CG2-CB 3.89Å; T60-P258 HydrophobicContact CG2-CG 4.25Å
61C96.7Very high95.6Very high10 Ų1049.7 Ų49.77%0.06825%0.245CC..SBendtrans-131.5171.7173.569.90000110.9K57 E65 G174 T175K57-C61 PolarHBondContact O-N 3.33Å; K57-C61 VanDerWaalsContact O-N 3.11Å; K57-C61 PolarHBondContact O-SG 3Å; C61-E65 WeakPolarHBondContact CA-OE2 3.39Å; C61-E65 HydrophobicContact CB-CB 3.86Å; C61-E65 WeakPolarHBondContact CB-OE2 3.22Å; C61-G174 WeakPolarHBondContact O-CA 3.28Å; C61-T175 VanDerWaalsContact C-OG1 3.28Å; C61-T175 PolarHBondContact O-N 3.4Å; C61-T175 PolarHBondContact O-OG1 3.17Å; C61-T175 VanDerWaalsContact O-OG1 3.11Å
62T97.9Very high95.6Very high38 Ų3856.2 Ų56.223%0.23328%0.276CS..  trans-74.6163168.458.90000110.9E64 E65 A66 T175 N176T62-E64 VanDerWaalsContact C-N 3.27Å; T62-E64 PolarHBondContact O-N 2.96Å; T62-E65 PolarHBondContact N-OE2 3.19Å; T62-E65 PolarHBondContact O-N 2.66Å; T62-E65 WeakPolarHBondContact OG1-CB 3.32Å; T62-E65 VanDerWaalsContact OG1-CG 3.24Å; T62-E65 WeakPolarHBondContact OG1-CG 3.42Å; T62-E65 PolarHBondContact OG1-N 2.69Å; T62-E65 PolarHBondContact OG1-OE2 2.79Å; T62-A66 WeakPolarHBondContact O-CB 3.41Å; T62-A66 PolarHBondContact O-N 3.15Å; T62-T175 PolarHBondContact N-OG1 2.91Å; T62-N176 WeakPolarHBondContact CA-OD1 3.29Å; T62-N176 HydrophobicContact CG2-CB 4.35Å
63S97.7Very high95.6Very high8 Ų854 Ų546%0.05627%0.27CS..Hα-helixtrans-62.1-34.1171.853.60000112.5A66 A67 D152 N176S63-A66 WeakPolarHBondContact O-CB 3.36Å; S63-A66 PolarHBondContact O-N 3.4Å; S63-A67 WeakPolarHBondContact O-CB 3.48Å; S63-A67 PolarHBondContact O-N 3.4Å; S63-D152 VanDerWaalsContact CB-OD1 3.32Å; S63-D152 WeakPolarHBondContact CB-OD1 3.39Å; S63-D152 WeakPolarHBondContact CB-OD2 3.26Å; S63-D152 PolarHBondContact OG-OD1 3.45Å; S63-D152 VanDerWaalsContact OG-OD1 3.08Å; S63-D152 PolarHBondContact OG-OD2 3.39Å; S63-N176 PolarHBondContact N-OD1 3.31Å; S63-N176 PolarHBondContact OG-ND2 3.23Å
64E97.5Very high95.5Very high142 Ų14255.7 Ų55.766%0.66429%0.286SS*.Hα-helixtrans-63.8-45.3174.7-174.6-175.9-177.700112.1T62 A66 A67 T68T62-E64 VanDerWaalsContact C-N 3.27Å; T62-E64 PolarHBondContact O-N 2.96Å; E64-A66 VanDerWaalsContact C-N 3.32Å; E64-A66 PolarHBondContact O-N 3.21Å; E64-A67 WeakPolarHBondContact O-CB 3.34Å; E64-A67 PolarHBondContact O-N 3.33Å; E64-T68 PolarHBondContact O-N 3.09Å; E64-T68 PolarHBondContact O-OG1 3.19Å
65E97.8Very high95.3Very high87 Ų8760.4 Ų60.441%0.40731%0.306SS..Hα-helixtrans-63.9-39.7173.9-73170.3128.200111.1C61 T62 T68 I69C61-E65 WeakPolarHBondContact CA-OE2 3.39Å; C61-E65 HydrophobicContact CB-CB 3.86Å; C61-E65 WeakPolarHBondContact CB-OE2 3.22Å; T62-E65 PolarHBondContact N-OE2 3.19Å; T62-E65 PolarHBondContact O-N 2.66Å; T62-E65 WeakPolarHBondContact OG1-CB 3.32Å; T62-E65 VanDerWaalsContact OG1-CG 3.24Å; T62-E65 WeakPolarHBondContact OG1-CG 3.42Å; T62-E65 PolarHBondContact OG1-N 2.69Å; T62-E65 PolarHBondContact OG1-OE2 2.79Å; E65-T68 WeakPolarHBondContact O-CB 3.32Å; E65-T68 PolarHBondContact O-N 2.75Å; E65-I69 WeakPolarHBondContact O-CG1 3.35Å; E65-I69 PolarHBondContact O-N 3.05Å
66A97.2Very high95.3Very high4 Ų460 Ų603%0.03330%0.304CS..Hα-helixtrans-62.2-44.2174.700000111.9L58 T62 S63 E64 T68 I69 F70 L141L58-A66 HydrophobicContact CD2-CB 3.5Å; T62-A66 WeakPolarHBondContact O-CB 3.41Å; T62-A66 PolarHBondContact O-N 3.15Å; S63-A66 WeakPolarHBondContact O-CB 3.36Å; S63-A66 PolarHBondContact O-N 3.4Å; E64-A66 VanDerWaalsContact C-N 3.32Å; E64-A66 PolarHBondContact O-N 3.21Å; A66-T68 VanDerWaalsContact C-N 3.27Å; A66-T68 PolarHBondContact O-N 2.9Å; A66-I69 WeakPolarHBondContact O-CB 3.27Å; A66-I69 PolarHBondContact O-N 2.94Å; A66-I69 VanDerWaalsContact O-N 3.17Å; A66-F70 WeakPolarHBondContact O-CD2 3.48Å; A66-F70 PolarHBondContact O-N 2.79Å; A66-L141 HydrophobicContact CB-CD1 3.66Å
67A96.9Very high95.3Very high34 Ų3455.6 Ų55.628%0.28128%0.283SS..Hα-helixtrans-58.5-42.1175.200000110.9S63 E64 F70 K71 L141S63-A67 WeakPolarHBondContact O-CB 3.48Å; S63-A67 PolarHBondContact O-N 3.4Å; E64-A67 WeakPolarHBondContact O-CB 3.34Å; E64-A67 PolarHBondContact O-N 3.33Å; A67-F70 PolarHBondContact O-N 3.16Å; A67-K71 VanDerWaalsContact O-CB 3.26Å; A67-K71 WeakPolarHBondContact O-CB 3.39Å; A67-K71 PolarHBondContact O-N 2.68Å; A67-L141 HydrophobicContact CB-CD2 4.16Å
68T96.8Very high95.2Very high66 Ų6655.9 Ų55.941%0.40529%0.286SS..Hα-helixtrans-61.9-44.8175.9-58.50000111.6E64 E65 A66 F70 K71 E72E64-T68 PolarHBondContact O-N 3.09Å; E64-T68 PolarHBondContact O-OG1 3.19Å; E65-T68 WeakPolarHBondContact O-CB 3.32Å; E65-T68 PolarHBondContact O-N 2.75Å; A66-T68 VanDerWaalsContact C-N 3.27Å; A66-T68 PolarHBondContact O-N 2.9Å; T68-F70 VanDerWaalsContact C-N 3.34Å; T68-F70 PolarHBondContact O-N 3.19Å; T68-K71 PolarHBondContact O-N 2.89Å; T68-E72 HydrophobicContact CG2-CG 4.45Å; T68-E72 WeakPolarHBondContact O-CB 3.45Å; T68-E72 WeakPolarHBondContact O-CG 3.24Å; T68-E72 PolarHBondContact O-N 2.82Å
69I95.3Very high95.1Very high47 Ų4755.4 Ų55.424%0.24128%0.283CS..Hα-helixtrans-57.1-47.4176.8-69.5164.3000110.9L54 E65 A66 E72 D73L54-I69 HydrophobicContact CD2-CG2 4.33Å; E65-I69 WeakPolarHBondContact O-CG1 3.35Å; E65-I69 PolarHBondContact O-N 3.05Å; A66-I69 WeakPolarHBondContact O-CB 3.27Å; A66-I69 PolarHBondContact O-N 2.94Å; A66-I69 VanDerWaalsContact O-N 3.17Å; I69-E72 PolarHBondContact O-N 3.07Å; I69-D73 PolarHBondContact O-N 3.48Å; I69-D73 VanDerWaalsContact O-N 3.11Å
70F95.7Very high95.2Very high4 Ų455.6 Ų55.62%0.01828%0.284CS..Hα-helixtrans-73.9-30.7-178.1-66.6-52.8000113.3L54 L58 A66 A67 T68 D73 P74 S76 F77 L141 V142L54-F70 HydrophobicContact CD2-CE1 4.47Å; L58-F70 HydrophobicContact CD1-CE2 4.44Å; L58-F70 HydrophobicContact CD1-CZ 4.12Å; L58-F70 HydrophobicContact CD2-CE2 3.64Å; L58-F70 HydrophobicContact CD2-CZ 3.88Å; L58-F70 HydrophobicContact CG-CZ 4.41Å; A66-F70 WeakPolarHBondContact O-CD2 3.48Å; A66-F70 PolarHBondContact O-N 2.79Å; A67-F70 PolarHBondContact O-N 3.16Å; T68-F70 VanDerWaalsContact C-N 3.34Å; T68-F70 PolarHBondContact O-N 3.19Å; F70-D73 CarbonylContact O-C 3.58Å; F70-D73 VanDerWaalsContact O-C 3.22Å; F70-P74 VanDerWaalsContact O-CA 3.26Å; F70-P74 WeakPolarHBondContact O-CA 3.39Å; F70-P74 VanDerWaalsContact O-N 3.11Å; F70-S76 VanDerWaalsContact CD1-OG 3.26Å; F70-S76 WeakPolarHBondContact CD1-OG 3.34Å; F70-F77 HydrophobicContact CD1-CB 3.69Å; F70-F77 AromaticContact CD1-CD2 3.72Å; F70-F77 HydrophobicContact CD1-CD2 3.72Å; F70-F77 HydrophobicContact CD1-CG 4.22Å; F70-F77 AromaticContact CD2-CD2 3.79Å; F70-F77 HydrophobicContact CD2-CD2 3.79Å; F70-F77 HydrophobicContact CD2-CE2 4.3Å; F70-F77 HydrophobicContact CE1-CB 4.07Å; F70-F77 AromaticContact CE1-CD2 3.73Å; F70-F77 HydrophobicContact CE1-CD2 3.73Å; F70-F77 HydrophobicContact CE1-CG 4.4Å; F70-F77 AromaticContact CE2-CD2 3.75Å; F70-F77 HydrophobicContact CE2-CD2 3.75Å; F70-F77 HydrophobicContact CE2-CE2 4.11Å; F70-F77 HydrophobicContact CG-CB 4.26Å; F70-F77 AromaticContact CG-CD2 3.78Å; F70-F77 HydrophobicContact CG-CD2 3.78Å; F70-F77 HydrophobicContact CG-CG 4.48Å; F70-F77 AromaticContact CZ-CD2 3.74Å; F70-F77 HydrophobicContact CZ-CD2 3.74Å; F70-F77 HydrophobicContact CZ-CE2 4.35Å; F70-L141 HydrophobicContact CD2-CB 4.41Å; F70-L141 HydrophobicContact CD2-CD1 4.08Å; F70-L141 HydrophobicContact CE2-CD1 4.17Å; F70-V142 HydrophobicContact CB-CG2 3.71Å; F70-V142 HydrophobicContact CG-CG2 4.31Å
71K94.2Very high95.1Very high180 Ų18053.1 Ų53.178%0.78327%0.268SS*.Hα-helixtrans-66-38.8171.9-174.2177-180177.80111.9A67 T68A67-K71 VanDerWaalsContact O-CB 3.26Å; A67-K71 WeakPolarHBondContact O-CB 3.39Å; A67-K71 PolarHBondContact O-N 2.68Å; T68-K71 PolarHBondContact O-N 2.89Å
72E95.1Very high95Very high149 Ų14956 Ų5670%0.69628%0.281SS*.Hα-helixtrans-73.4-33.1178.5-73-176.1171.200113.2T68 I69T68-E72 HydrophobicContact CG2-CG 4.45Å; T68-E72 WeakPolarHBondContact O-CB 3.45Å; T68-E72 WeakPolarHBondContact O-CG 3.24Å; T68-E72 PolarHBondContact O-N 2.82Å; I69-E72 PolarHBondContact O-N 3.07Å
73D92.1Very high94.9Very high32 Ų3254.3 Ų54.317%0.17127%0.27CS..  trans-13685.5173.6-176.815.7000110.8L6 R10 I69 F70 K75 S76L6-D73 HydrophobicContact CD2-CB 4.47Å; L6-D73 WeakPolarHBondContact CD2-OD2 3.37Å; R10-D73 IonicContact CZ-OD2 3.08Å; R10-D73 IonicContact NH2-OD1 3.09Å; R10-D73 IonicContact NH2-OD2 2.7Å; R10-D73 PolarHBondContact NH2-OD2 2.89Å; R10-D73 VanDerWaalsContact NH2-OD2 3.09Å; I69-D73 PolarHBondContact O-N 3.48Å; I69-D73 VanDerWaalsContact O-N 3.11Å; F70-D73 CarbonylContact O-C 3.58Å; F70-D73 VanDerWaalsContact O-C 3.22Å; D73-K75 PolarHBondContact O-N 2.84Å; D73-K75 VanDerWaalsContact O-N 3.1Å; D73-K75 WeakPolarHBondContact OD1-CB 3.35Å; D73-K75 PolarHBondContact OD1-N 3.24Å; D73-S76 VanDerWaalsContact O-CB 3.23Å; D73-S76 WeakPolarHBondContact O-CB 3.49Å; D73-S76 PolarHBondContact O-N 3.07Å; D73-S76 PolarHBondContact O-OG 3.39Å
74P89.7Confident94.7Very high82 Ų8255.7 Ų55.753%0.53228%0.275SS..Hα-helixtrans-56.3-30.9-179.7-29.136.3000113.6F70 S76 F77F70-P74 VanDerWaalsContact O-CA 3.26Å; F70-P74 WeakPolarHBondContact O-CA 3.39Å; F70-P74 VanDerWaalsContact O-N 3.11Å; P74-S76 PolarHBondContact O-N 2.78Å; P74-F77 WeakPolarHBondContact O-CB 3.4Å; P74-F77 PolarHBondContact O-N 2.93Å; P74-F77 VanDerWaalsContact O-N 3.15Å
75K91.1Very high94.6Very high101 Ų10151.9 Ų51.944%0.43926%0.257SS..Hα-helixtrans-65-24.1177-171.759.2175.5-176.20112.4D73 F77 E78 I79D73-K75 PolarHBondContact O-N 2.84Å; D73-K75 VanDerWaalsContact O-N 3.1Å; D73-K75 WeakPolarHBondContact OD1-CB 3.35Å; D73-K75 PolarHBondContact OD1-N 3.24Å; K75-F77 VanDerWaalsContact C-N 3.27Å; K75-F77 PolarHBondContact O-N 3.28Å; K75-E78 HydrophobicContact CD-CB 4.32Å; K75-E78 WeakPolarHBondContact CD-OE2 3.45Å; K75-E78 WeakPolarHBondContact CE-OE2 3.33Å; K75-E78 IonicContact NZ-OE2 2.59Å; K75-E78 PolarHBondContact NZ-OE2 3.28Å; K75-E78 PolarHBondContact O-N 2.93Å; K75-I79 HydrophobicContact CG-CD1 4.28Å; K75-I79 WeakPolarHBondContact O-CG1 3.49Å; K75-I79 PolarHBondContact O-N 3.47Å; K75-I79 VanDerWaalsContact O-N 3.09Å
76S93.6Very high94.4Very high0 Ų051.6 Ų51.60%025%0.252CS..Hα-helixtrans-65.3-31.6176.7720000112.1L54 F70 D73 P74 I79 Y80L54-S76 VanDerWaalsContact CD1-O 3.27Å; L54-S76 WeakPolarHBondContact CD1-O 3.34Å; F70-S76 VanDerWaalsContact CD1-OG 3.26Å; F70-S76 WeakPolarHBondContact CD1-OG 3.34Å; D73-S76 VanDerWaalsContact O-CB 3.23Å; D73-S76 WeakPolarHBondContact O-CB 3.49Å; D73-S76 PolarHBondContact O-N 3.07Å; D73-S76 PolarHBondContact O-OG 3.39Å; P74-S76 PolarHBondContact O-N 2.78Å; S76-I79 PolarHBondContact O-N 3.46Å; S76-Y80 WeakPolarHBondContact O-CB 3.36Å; S76-Y80 PolarHBondContact O-N 3.15Å
77F94.3Very high94.1Very high3 Ų354 Ų541%0.01326%0.262CS..Hα-helixtrans-66.3-44.2175.3-163.9-105000111.7F70 P74 K75 I79 Y80 H81 D140 V142 L144F70-F77 HydrophobicContact CD1-CB 3.69Å; F70-F77 AromaticContact CD1-CD2 3.72Å; F70-F77 HydrophobicContact CD1-CD2 3.72Å; F70-F77 HydrophobicContact CD1-CG 4.22Å; F70-F77 AromaticContact CD2-CD2 3.79Å; F70-F77 HydrophobicContact CD2-CD2 3.79Å; F70-F77 HydrophobicContact CD2-CE2 4.3Å; F70-F77 HydrophobicContact CE1-CB 4.07Å; F70-F77 AromaticContact CE1-CD2 3.73Å; F70-F77 HydrophobicContact CE1-CD2 3.73Å; F70-F77 HydrophobicContact CE1-CG 4.4Å; F70-F77 AromaticContact CE2-CD2 3.75Å; F70-F77 HydrophobicContact CE2-CD2 3.75Å; F70-F77 HydrophobicContact CE2-CE2 4.11Å; F70-F77 HydrophobicContact CG-CB 4.26Å; F70-F77 AromaticContact CG-CD2 3.78Å; F70-F77 HydrophobicContact CG-CD2 3.78Å; F70-F77 HydrophobicContact CG-CG 4.48Å; F70-F77 AromaticContact CZ-CD2 3.74Å; F70-F77 HydrophobicContact CZ-CD2 3.74Å; F70-F77 HydrophobicContact CZ-CE2 4.35Å; P74-F77 WeakPolarHBondContact O-CB 3.4Å; P74-F77 PolarHBondContact O-N 2.93Å; P74-F77 VanDerWaalsContact O-N 3.15Å; K75-F77 VanDerWaalsContact C-N 3.27Å; K75-F77 PolarHBondContact O-N 3.28Å; F77-I79 PolarHBondContact O-N 3.41Å; F77-Y80 WeakPolarHBondContact O-CB 3.32Å; F77-Y80 PolarHBondContact O-N 3.23Å; F77-H81 AromaticContact CD1-CD2 3.62Å; F77-H81 AromaticContact CE1-CD2 3.3Å; F77-H81 WeakPolarHBondContact CE1-CD2 3.28Å; F77-H81 AromaticContact CE1-NE2 3.31Å; F77-H81 VanDerWaalsContact CE1-NE2 3.31Å; F77-H81 WeakPolarHBondContact CE1-NE2 3.45Å; F77-H81 AromaticContact CE2-CD2 3.99Å; F77-H81 AromaticContact CE2-NE2 3.58Å; F77-H81 AromaticContact CZ-CD2 3.51Å; F77-H81 AromaticContact CZ-NE2 3.03Å; F77-H81 WeakPolarHBondContact CZ-NE2 3.46Å; F77-H81 PolarHBondContact O-CD2 3.1Å; F77-H81 PolarHBondContact O-N 2.86Å; F77-D140 WeakPolarHBondContact CZ-OD1 3.49Å; F77-V142 HydrophobicContact CB-CB 4.39Å; F77-V142 HydrophobicContact CB-CG1 4.41Å; F77-V142 HydrophobicContact CB-CG2 4.29Å; F77-V142 HydrophobicContact CD1-CB 3.53Å; F77-V142 HydrophobicContact CD1-CG1 3.69Å; F77-V142 HydrophobicContact CD1-CG2 4.27Å; F77-V142 HydrophobicContact CD2-CB 3.88Å; F77-V142 HydrophobicContact CD2-CG2 3.86Å; F77-V142 HydrophobicContact CE1-CB 3.59Å; F77-V142 HydrophobicContact CE1-CG1 4.08Å; F77-V142 WeakPolarHBondContact CE1-O 3.34Å; F77-V142 HydrophobicContact CE2-CB 3.96Å; F77-V142 HydrophobicContact CE2-CG2 4.22Å; F77-V142 HydrophobicContact CG-CB 3.67Å; F77-V142 HydrophobicContact CG-CG1 4.04Å; F77-V142 HydrophobicContact CG-CG2 3.89Å; F77-V142 HydrophobicContact CZ-CB 3.81Å; F77-L144 HydrophobicContact CD1-CD2 3.65Å; F77-L144 HydrophobicContact CD1-CG 4.11Å; F77-L144 HydrophobicContact CE1-CD1 4.06Å; F77-L144 HydrophobicContact CE1-CD2 3.8Å; F77-L144 HydrophobicContact CE1-CG 3.7Å
78E93.1Very high93.8Very high89 Ų8953 Ų5342%0.41625%0.252SS..Hα-helixtrans-61.3-42.7173.9-66177.3-14300112.1K75 Y80 H81 E82K75-E78 HydrophobicContact CD-CB 4.32Å; K75-E78 WeakPolarHBondContact CD-OE2 3.45Å; K75-E78 WeakPolarHBondContact CE-OE2 3.33Å; K75-E78 IonicContact NZ-OE2 2.59Å; K75-E78 PolarHBondContact NZ-OE2 3.28Å; K75-E78 PolarHBondContact O-N 2.93Å; E78-Y80 VanDerWaalsContact C-N 3.3Å; E78-Y80 PolarHBondContact O-N 3.06Å; E78-H81 PolarHBondContact O-N 3.14Å; E78-E82 WeakPolarHBondContact O-CB 3.32Å; E78-E82 WeakPolarHBondContact O-CG 3.37Å; E78-E82 PolarHBondContact O-N 3.28Å
79I94.2Very high93.5Very high5 Ų554.4 Ų54.43%0.02627%0.265CS..Hα-helixtrans-63.2-39.8176.8-68.3166.7000110.8N47 M50 L54 K75 S76 F77 G83N47-I79 HydrophobicContact CB-CG2 4.34Å; M50-I79 HydrophobicContact CB-CG2 3.63Å; L54-I79 HydrophobicContact CD1-CG2 4.38Å; K75-I79 HydrophobicContact CG-CD1 4.28Å; K75-I79 WeakPolarHBondContact O-CG1 3.49Å; K75-I79 PolarHBondContact O-N 3.47Å; K75-I79 VanDerWaalsContact O-N 3.09Å; S76-I79 PolarHBondContact O-N 3.46Å; F77-I79 PolarHBondContact O-N 3.41Å; I79-G83 PolarHBondContact O-N 3.11Å
80Y96Very high93.3Very high20 Ų2059.5 Ų59.58%0.07829%0.288CS..Hα-helixtrans-59.4-52175.2171.5-103.8000110.6F51 L54 N55 L58 S76 F77 E78 G83 Y84 M173F51-Y80 AromaticContact CD2-CD2 3.96Å; F51-Y80 HydrophobicContact CD2-CD2 3.96Å; F51-Y80 HydrophobicContact CD2-CE2 4.44Å; F51-Y80 WeakPolarHBondContact CD2-O 3.42Å; F51-Y80 AromaticContact CE2-CD2 3.93Å; F51-Y80 HydrophobicContact CE2-CD2 3.93Å; F51-Y80 AromaticContact CE2-CE2 3.97Å; F51-Y80 HydrophobicContact CE2-CE2 3.97Å; F51-Y80 WeakPolarHBondContact CE2-O 3.41Å; L54-Y80 HydrophobicContact CB-CD2 4.26Å; N55-Y80 HydrophobicContact CB-CE2 4.11Å; L58-Y80 HydrophobicContact CD1-CD1 4.45Å; L58-Y80 HydrophobicContact CD1-CD2 3.92Å; L58-Y80 HydrophobicContact CD1-CE1 4.07Å; L58-Y80 HydrophobicContact CD1-CE2 3.49Å; L58-Y80 VanDerWaalsContact CD1-CE2 3.49Å; L58-Y80 HydrophobicContact CD1-CG 4.39Å; S76-Y80 WeakPolarHBondContact O-CB 3.36Å; S76-Y80 PolarHBondContact O-N 3.15Å; F77-Y80 WeakPolarHBondContact O-CB 3.32Å; F77-Y80 PolarHBondContact O-N 3.23Å; E78-Y80 VanDerWaalsContact C-N 3.3Å; E78-Y80 PolarHBondContact O-N 3.06Å; Y80-G83 WeakPolarHBondContact O-CA 3.3Å; Y80-G83 PolarHBondContact O-N 3.18Å; Y80-G83 VanDerWaalsContact O-N 3.13Å; Y80-Y84 PolarHBondContact O-N 3.19Å; Y80-M173 HydrophobicContact CE2-CE 4.31Å; Y80-M173 WeakPolarHBondContact OH-CE 3.33Å; Y80-M173 PolarHBondContact OH-SD 3.41Å
81H94.7Very high93Very high15 Ų1562.3 Ų62.37%0.06930%0.298CS..Hα-helixtrans-67.9-38.3179.8-80.7-74.5000113.8F77 E78 G83 Y84 Q85 G122 L144F77-H81 AromaticContact CD1-CD2 3.62Å; F77-H81 AromaticContact CE1-CD2 3.3Å; F77-H81 WeakPolarHBondContact CE1-CD2 3.28Å; F77-H81 AromaticContact CE1-NE2 3.31Å; F77-H81 VanDerWaalsContact CE1-NE2 3.31Å; F77-H81 WeakPolarHBondContact CE1-NE2 3.45Å; F77-H81 AromaticContact CE2-CD2 3.99Å; F77-H81 AromaticContact CE2-NE2 3.58Å; F77-H81 AromaticContact CZ-CD2 3.51Å; F77-H81 AromaticContact CZ-NE2 3.03Å; F77-H81 WeakPolarHBondContact CZ-NE2 3.46Å; F77-H81 PolarHBondContact O-CD2 3.1Å; F77-H81 PolarHBondContact O-N 2.86Å; E78-H81 PolarHBondContact O-N 3.14Å; H81-G83 PolarHBondContact O-N 2.79Å; H81-Y84 PolarHBondContact O-N 3.47Å; H81-Q85 WeakPolarHBondContact O-CB 3.43Å; H81-Q85 VanDerWaalsContact O-CG 3.27Å; H81-Q85 WeakPolarHBondContact O-CG 3.39Å; H81-Q85 PolarHBondContact O-N 2.99Å; H81-G122 WeakPolarHBondContact CE1-CA 3.46Å; H81-L144 HydrophobicContact CB-CD1 4.19Å
82E94.1Very high92.7Very high71 Ų7158.8 Ų58.833%0.33229%0.294SS..Hα-helixtrans-59.1-35.9171.2-79-164.1146.500111.8K39 N47 E78 R86K39-E82 IonicContact NZ-OE1 3.17Å; K39-E82 PolarHBondContact NZ-OE1 2.94Å; K39-E82 VanDerWaalsContact NZ-OE1 3.17Å; N47-E82 PolarHBondContact ND2-OE2 2.85Å; E78-E82 WeakPolarHBondContact O-CB 3.32Å; E78-E82 WeakPolarHBondContact O-CG 3.37Å; E78-E82 PolarHBondContact O-N 3.28Å; E82-R86 WeakPolarHBondContact O-CG 3.45Å; E82-R86 PolarHBondContact O-N 2.86Å; E82-R86 PolarHBondContact O-NE 2.99Å
83G95Very high92.5Very high2 Ų255.5 Ų55.52%0.02128%0.278CS..Hα-helixtrans-71.3-44.7174.900000112.7I79 Y80 H81 R86 Q87I79-G83 PolarHBondContact O-N 3.11Å; Y80-G83 WeakPolarHBondContact O-CA 3.3Å; Y80-G83 PolarHBondContact O-N 3.18Å; Y80-G83 VanDerWaalsContact O-N 3.13Å; H81-G83 PolarHBondContact O-N 2.79Å; G83-R86 PolarHBondContact O-N 3.46Å; G83-Q87 PolarHBondContact O-N 3.49Å
84Y94.7Very high92.6Very high36 Ų3655.7 Ų55.714%0.14128%0.28CS..Hα-helixtrans-60.3-48.4176.9175.5-102.2000111.6Y80 H81 R86 Q87 L88 L170Y80-Y84 PolarHBondContact O-N 3.19Å; H81-Y84 PolarHBondContact O-N 3.47Å; Y84-R86 VanDerWaalsContact C-N 3.27Å; Y84-R86 PolarHBondContact O-N 2.83Å; Y84-Q87 CarbonylContact O-C 3.58Å; Y84-Q87 WeakPolarHBondContact O-CA 3.39Å; Y84-Q87 WeakPolarHBondContact O-CB 3.41Å; Y84-Q87 PolarHBondContact O-N 3.02Å; Y84-L88 HydrophobicContact CE1-CD2 4.34Å; Y84-L88 WeakPolarHBondContact O-CB 3.41Å; Y84-L88 PolarHBondContact O-N 3.08Å; Y84-L170 HydrophobicContact CE2-CD1 4.19Å
85Q94.3Very high92.9Very high62 Ų6251.8 Ų51.829%0.2925%0.254SS..Hα-helixtrans-59.7-37.7178.5-69.4-64.8-15.900112.3H81 Q87 S89 D123H81-Q85 WeakPolarHBondContact O-CB 3.43Å; H81-Q85 VanDerWaalsContact O-CG 3.27Å; H81-Q85 WeakPolarHBondContact O-CG 3.39Å; H81-Q85 PolarHBondContact O-N 2.99Å; Q85-Q87 VanDerWaalsContact C-N 3.34Å; Q85-S89 PolarHBondContact O-N 2.78Å; Q85-D123 PolarHBondContact NE2-OD2 3.18Å
86R93.5Very high93.2Very high81 Ų8147.5 Ų47.531%0.30624%0.236SC..Hα-helixtrans-68-32.1173.3-75.7-178.5-71.3152.7-2.3113.1S48 E82 G83 Y84 S89 Q90S48-R86 PolarHBondContact OG-NH1 3.33Å; E82-R86 WeakPolarHBondContact O-CG 3.45Å; E82-R86 PolarHBondContact O-N 2.86Å; E82-R86 PolarHBondContact O-NE 2.99Å; G83-R86 PolarHBondContact O-N 3.46Å; Y84-R86 VanDerWaalsContact C-N 3.27Å; Y84-R86 PolarHBondContact O-N 2.83Å; R86-S89 PolarHBondContact O-OG 2.82Å; R86-Q90 PolarHBondContact O-NE2 3.03Å
87Q90.9Very high93.3Very high54 Ų5450.6 Ų50.625%0.25225%0.252SS..Hα-helixtrans-74-45175.7-171.6176.4-64.400110.5G83 Y84 Q85 S89 Q90 W91G83-Q87 PolarHBondContact O-N 3.49Å; Y84-Q87 CarbonylContact O-C 3.58Å; Y84-Q87 WeakPolarHBondContact O-CA 3.39Å; Y84-Q87 WeakPolarHBondContact O-CB 3.41Å; Y84-Q87 PolarHBondContact O-N 3.02Å; Q85-Q87 VanDerWaalsContact C-N 3.34Å; Q87-S89 VanDerWaalsContact C-N 3.3Å; Q87-S89 PolarHBondContact O-N 2.83Å; Q87-Q90 WeakPolarHBondContact O-CB 3.26Å; Q87-Q90 PolarHBondContact O-N 2.59Å; Q87-W91 HydrophobicContact CG-CZ2 4.26Å; Q87-W91 VanDerWaalsContact NE2-CZ2 3.26Å
88L91.2Very high93.4Very high14 Ų1451.5 Ų51.57%0.07326%0.255CS..Hα-helixtrans-56.3-42.9176.2178.968.3000111.8Y84 Q90 W91 D94Y84-L88 HydrophobicContact CE1-CD2 4.34Å; Y84-L88 WeakPolarHBondContact O-CB 3.41Å; Y84-L88 PolarHBondContact O-N 3.08Å; L88-Q90 PolarHBondContact O-N 3.49Å; L88-W91 HydrophobicContact CD1-CE3 3.76Å; L88-W91 HydrophobicContact CD1-CZ3 4.13Å; L88-W91 PolarHBondContact O-N 2.85Å; L88-D94 HydrophobicContact CD1-CB 4.45Å
89S91.5Very high93.6Very high96 Ų9647.2 Ų47.267%0.67124%0.235SC*.THydrogen-bonded Turntrans-64.8-11.2178.5750000114.4Q85 R86 Q87Q85-S89 PolarHBondContact O-N 2.78Å; R86-S89 PolarHBondContact O-OG 2.82Å; Q87-S89 VanDerWaalsContact C-N 3.3Å; Q87-S89 PolarHBondContact O-N 2.83Å
90Q90.1Very high93.8Very high154 Ų15450.5 Ų50.572%0.7225%0.249SC*.THydrogen-bonded Turntrans-97.9-9176.6-67.3170.672.400112.5R86 Q87 L88R86-Q90 PolarHBondContact O-NE2 3.03Å; Q87-Q90 WeakPolarHBondContact O-CB 3.26Å; Q87-Q90 PolarHBondContact O-N 2.59Å; L88-Q90 PolarHBondContact O-N 3.49Å
91W89.1Confident93.8Very high63 Ų6351.6 Ų51.624%0.23926%0.26CS..SBendtrans-81.8148.8179-71.4-17.8000111.9Q87 L88 Q93 P95 L170 F232Q87-W91 HydrophobicContact CG-CZ2 4.26Å; Q87-W91 VanDerWaalsContact NE2-CZ2 3.26Å; L88-W91 HydrophobicContact CD1-CE3 3.76Å; L88-W91 HydrophobicContact CD1-CZ3 4.13Å; L88-W91 PolarHBondContact O-N 2.85Å; W91-Q93 PolarHBondContact O-N 3.45Å; W91-P95 HydrophobicContact CZ3-CG 4.48Å; W91-L170 HydrophobicContact CE3-CD1 4.42Å; W91-L170 HydrophobicContact CH2-CD1 3.36Å; W91-L170 HydrophobicContact CZ3-CD1 3.19Å; W91-F232 AromaticContact CD2-CZ 3.95Å; W91-F232 HydrophobicContact CD2-CZ 3.95Å; W91-F232 HydrophobicContact CE3-CE1 4.45Å; W91-F232 AromaticContact CE3-CZ 3.64Å; W91-F232 HydrophobicContact CE3-CZ 3.64Å; W91-F232 HydrophobicContact CH2-CE1 4.04Å; W91-F232 HydrophobicContact CH2-CZ 4.03Å; W91-F232 HydrophobicContact CZ2-CE1 4.27Å; W91-F232 HydrophobicContact CZ2-CZ 4.29Å; W91-F232 HydrophobicContact CZ3-CE1 4.18Å; W91-F232 AromaticContact CZ3-CZ 3.73Å; W91-F232 HydrophobicContact CZ3-CZ 3.73Å
92P88.5Confident94Very high105 Ų10552.7 Ų52.768%0.68226%0.264SS*.SBendtrans-60.3-33-178.9-23.133000113.4T230P92-T230 HydrophobicContact CB-CG2 4.37Å; P92-T230 HydrophobicContact CG-CG2 4.37Å
93Q90.1Very high94.1Very high80 Ų8049.3 Ų49.337%0.37425%0.249SC..SBendtrans-147.1141.8-179-176.6176.175.200109.9W91 I97W91-Q93 PolarHBondContact O-N 3.45Å; Q93-I97 HydrophobicContact CG-CB 4.3Å
94D94.1Very high94.1Very high37 Ų3751.7 Ų51.720%0.19826%0.263CS..  trans-69121.8170.3-172.4-28.8000110L88 L96 I97 R125L88-D94 HydrophobicContact CD1-CB 4.45Å; D94-L96 PolarHBondContact O-N 3.35Å; D94-L96 VanDerWaalsContact O-N 3.12Å; D94-L96 WeakPolarHBondContact OD1-CB 3.31Å; D94-L96 PolarHBondContact OD1-N 2.82Å; D94-I97 HydrophobicContact CB-CG1 4.08Å; D94-I97 VanDerWaalsContact O-CB 3.32Å; D94-I97 WeakPolarHBondContact O-CB 3.48Å; D94-I97 WeakPolarHBondContact O-CG1 3.26Å; D94-I97 PolarHBondContact O-N 2.98Å; D94-R125 VanDerWaalsContact CG-NH2 3.26Å; D94-R125 IonicContact OD1-NH2 3.49Å; D94-R125 PolarHBondContact OD1-NH2 2.9Å; D94-R125 IonicContact OD2-CZ 3.83Å; D94-R125 IonicContact OD2-NH1 3.47Å; D94-R125 PolarHBondContact OD2-NH1 2.77Å; D94-R125 IonicContact OD2-NH2 2.66Å; D94-R125 PolarHBondContact OD2-NH2 3.44Å
95P95.9Very high94.1Very high0 Ų055.7 Ų55.70%028%0.283CS..Hα-helixtrans-60.9-23.4-176.626.1-36.5000113.4W91 I97 W98 V99 L170 V197 F232W91-P95 HydrophobicContact CZ3-CG 4.48Å; P95-I97 PolarHBondContact O-N 3.19Å; P95-W98 PolarHBondContact O-N 3.47Å; P95-V99 PolarHBondContact O-N 3.27Å; P95-L170 HydrophobicContact CG-CD1 3.76Å; P95-L170 HydrophobicContact CG-CG 4.24Å; P95-V197 HydrophobicContact CB-CG1 3.84Å; P95-F232 HydrophobicContact CB-CE2 4.13Å; P95-F232 HydrophobicContact CB-CZ 4.46Å
96L97.3Very high94.1Very high11 Ų1155.9 Ų55.96%0.05828%0.284CS..Hα-helixtrans-65.5-21.6174.9-67.8179.3000112.9D94 W98 V99 K100 R125 L126 L129 C169D94-L96 PolarHBondContact O-N 3.35Å; D94-L96 VanDerWaalsContact O-N 3.12Å; D94-L96 WeakPolarHBondContact OD1-CB 3.31Å; D94-L96 PolarHBondContact OD1-N 2.82Å; L96-W98 VanDerWaalsContact C-N 3.34Å; L96-V99 PolarHBondContact O-N 2.97Å; L96-K100 VanDerWaalsContact O-CB 3.29Å; L96-K100 WeakPolarHBondContact O-CB 3.22Å; L96-K100 PolarHBondContact O-N 3.44Å; L96-R125 HydrophobicContact CD1-CG 3.75Å; L96-L126 HydrophobicContact CD2-CD1 4.29Å; L96-L129 HydrophobicContact CB-CD1 3.7Å; L96-C169 HydrophobicContact CD2-CB 3.84Å
97I96.8Very high93.8Very high65 Ų6552.7 Ų52.733%0.33327%0.274SS..Hα-helixtrans-64.1-42.4174.8-61.1-62.2000110.6Q93 D94 P95 S101 L129Q93-I97 HydrophobicContact CG-CB 4.3Å; D94-I97 HydrophobicContact CB-CG1 4.08Å; D94-I97 VanDerWaalsContact O-CB 3.32Å; D94-I97 WeakPolarHBondContact O-CB 3.48Å; D94-I97 WeakPolarHBondContact O-CG1 3.26Å; D94-I97 PolarHBondContact O-N 2.98Å; P95-I97 PolarHBondContact O-N 3.19Å; I97-S101 PolarHBondContact O-N 3.11Å; I97-S101 VanDerWaalsContact O-N 3.08Å; I97-S101 PolarHBondContact O-OG 3.39Å; I97-L129 HydrophobicContact CD1-CD1 4.3Å; I97-L129 HydrophobicContact CD1-CD2 4.25Å
98W96.4Very high93.3Very high21 Ų2155.9 Ų55.98%0.0830%0.302CS..Hα-helixtrans-67.9-42.6176.3-17787.9000111.6P95 L96 K100 S101 K102 I195 V197 F223 R234P95-W98 PolarHBondContact O-N 3.47Å; L96-W98 VanDerWaalsContact C-N 3.34Å; W98-K100 VanDerWaalsContact C-N 3.34Å; W98-K100 PolarHBondContact O-N 2.86Å; W98-S101 PolarHBondContact O-N 3.49Å; W98-K102 HydrophobicContact CD2-CG 3.97Å; W98-K102 HydrophobicContact CE3-CG 4.18Å; W98-K102 HydrophobicContact CH2-CG 3.76Å; W98-K102 HydrophobicContact CZ2-CD 4.11Å; W98-K102 HydrophobicContact CZ2-CG 3.51Å; W98-K102 HydrophobicContact CZ3-CG 4.1Å; W98-K102 PolarHBondContact O-N 2.77Å; W98-I195 HydrophobicContact CE3-CG2 4.43Å; W98-I195 HydrophobicContact CH2-CG2 4.49Å; W98-I195 HydrophobicContact CZ3-CG2 3.67Å; W98-V197 HydrophobicContact CE3-CG2 3.41Å; W98-V197 VanDerWaalsContact CE3-CG2 3.41Å; W98-V197 HydrophobicContact CZ3-CG2 3.58Å; W98-F223 HydrophobicContact CH2-CD1 4.5Å; W98-F223 AromaticContact CZ2-CD1 3.98Å; W98-F223 HydrophobicContact CZ2-CD1 3.98Å; W98-F223 AromaticContact CZ2-CE1 3.73Å; W98-F223 HydrophobicContact CZ2-CE1 3.73Å; W98-R234 HydrophobicContact CD2-CB 4.35Å; W98-R234 HydrophobicContact CD2-CG 4.18Å; W98-R234 HydrophobicContact CE3-CB 4.34Å; W98-R234 HydrophobicContact CE3-CG 4.28Å; W98-R234 HydrophobicContact CH2-CB 3.72Å; W98-R234 HydrophobicContact CZ2-CB 3.71Å; W98-R234 HydrophobicContact CZ2-CG 4.42Å; W98-R234 HydrophobicContact CZ3-CB 4.02Å; W98-R234 HydrophobicContact CZ3-CG 4.42Å
99V98.2Very high93Very high0 Ų058.7 Ų58.70%032%0.317CS..Hα-helixtrans-55.5-51175173.30000110.5P95 L96 S101 K102 I103 L126 V167 C169 I195 V197P95-V99 PolarHBondContact O-N 3.27Å; L96-V99 PolarHBondContact O-N 2.97Å; V99-S101 VanDerWaalsContact C-N 3.34Å; V99-S101 PolarHBondContact O-N 2.95Å; V99-K102 PolarHBondContact O-N 2.66Å; V99-K102 VanDerWaalsContact O-N 3.17Å; V99-I103 HydrophobicContact CG1-CD1 3.85Å; V99-I103 HydrophobicContact CG1-CG1 4.43Å; V99-I103 WeakPolarHBondContact O-CG1 3.15Å; V99-I103 PolarHBondContact O-N 2.82Å; V99-L126 HydrophobicContact CG1-CD1 4.18Å; V99-L126 HydrophobicContact CG1-CD2 4.27Å; V99-V167 HydrophobicContact CG1-CB 4.49Å; V99-V167 HydrophobicContact CG1-CG1 3.7Å; V99-V167 HydrophobicContact CG1-CG2 3.9Å; V99-V167 HydrophobicContact CG2-CG1 4.22Å; V99-C169 HydrophobicContact CG2-CB 4.39Å; V99-I195 HydrophobicContact CG1-CD1 4.38Å; V99-I195 HydrophobicContact CG1-CG2 4.36Å; V99-I195 HydrophobicContact CG2-CG2 4.13Å; V99-V197 HydrophobicContact CG2-CG2 3.75Å
100K97.5Very high92.4Very high73 Ų7361 Ų6132%0.31732%0.321SS..Hα-helixtrans-56-46.9177.8173.4-107173.7178.50112.1L96 W98 K102 I103 V104 L129 L130L96-K100 VanDerWaalsContact O-CB 3.29Å; L96-K100 WeakPolarHBondContact O-CB 3.22Å; L96-K100 PolarHBondContact O-N 3.44Å; W98-K100 VanDerWaalsContact C-N 3.34Å; W98-K100 PolarHBondContact O-N 2.86Å; K100-K102 VanDerWaalsContact C-N 3.33Å; K100-K102 PolarHBondContact O-N 3.38Å; K100-I103 PolarHBondContact O-N 2.87Å; K100-V104 WeakPolarHBondContact O-CG2 3.32Å; K100-V104 PolarHBondContact O-N 2.95Å; K100-V104 VanDerWaalsContact O-N 3.12Å; K100-L129 HydrophobicContact CB-CB 4.12Å; K100-L129 VanDerWaalsContact CE-O 3.23Å; K100-L129 WeakPolarHBondContact CE-O 3.44Å; K100-L129 HydrophobicContact CG-CB 3.89Å; K100-L129 VanDerWaalsContact CG-O 3.3Å; K100-L129 WeakPolarHBondContact CG-O 3.19Å; K100-L130 HydrophobicContact CB-CD2 4.36Å; K100-L130 HydrophobicContact CG-CD2 3.93Å
101S96.8Very high92.1Very high43 Ų4361.6 Ų61.630%0.30133%0.326SS..Hα-helixtrans-60.2-43.2178.2-640000111.7I97 W98 V99 V104 E105I97-S101 PolarHBondContact O-N 3.11Å; I97-S101 VanDerWaalsContact O-N 3.08Å; I97-S101 PolarHBondContact O-OG 3.39Å; W98-S101 PolarHBondContact O-N 3.49Å; V99-S101 VanDerWaalsContact C-N 3.34Å; V99-S101 PolarHBondContact O-N 2.95Å; S101-V104 PolarHBondContact O-N 3.17Å; S101-E105 WeakPolarHBondContact O-CB 3.42Å; S101-E105 VanDerWaalsContact O-CG 3.22Å; S101-E105 WeakPolarHBondContact O-CG 3.48Å; S101-E105 PolarHBondContact O-N 3.49Å
102K97.4Very high92.2Very high38 Ų3861.1 Ų61.117%0.16533%0.33CS..Hα-helixtrans-68.6-37.5179-66.2-52.2177.8-169.80114.2W98 V99 K100 V104 E105 E106 L236W98-K102 HydrophobicContact CD2-CG 3.97Å; W98-K102 HydrophobicContact CE3-CG 4.18Å; W98-K102 HydrophobicContact CH2-CG 3.76Å; W98-K102 HydrophobicContact CZ2-CD 4.11Å; W98-K102 HydrophobicContact CZ2-CG 3.51Å; W98-K102 HydrophobicContact CZ3-CG 4.1Å; W98-K102 PolarHBondContact O-N 2.77Å; V99-K102 PolarHBondContact O-N 2.66Å; V99-K102 VanDerWaalsContact O-N 3.17Å; K100-K102 VanDerWaalsContact C-N 3.33Å; K100-K102 PolarHBondContact O-N 3.38Å; K102-V104 VanDerWaalsContact C-N 3.34Å; K102-E105 WeakPolarHBondContact CD-OE2 3.36Å; K102-E105 IonicContact NZ-OE1 3.8Å; K102-E105 IonicContact NZ-OE2 3.75Å; K102-E105 PolarHBondContact NZ-OE2 3.36Å; K102-E105 PolarHBondContact O-N 2.88Å; K102-E106 WeakPolarHBondContact O-CG 3.38Å; K102-E106 PolarHBondContact O-N 3.12Å; K102-E106 VanDerWaalsContact O-N 3.1Å; K102-L236 HydrophobicContact CB-CD1 4.49Å
103I97.2Very high92.5Very high0 Ų062.2 Ų62.20%033%0.33CS..Hα-helixtrans-59-49173.1-69.8173.4000110V99 K100 E106 C107 V116 L126 L130 Y134 F165 V167 I195V99-I103 HydrophobicContact CG1-CD1 3.85Å; V99-I103 HydrophobicContact CG1-CG1 4.43Å; V99-I103 WeakPolarHBondContact O-CG1 3.15Å; V99-I103 PolarHBondContact O-N 2.82Å; K100-I103 PolarHBondContact O-N 2.87Å; I103-E106 PolarHBondContact O-N 3.4Å; I103-C107 PolarHBondContact O-N 3.41Å; I103-C107 PolarHBondContact O-SG 3.03Å; I103-V116 HydrophobicContact CD1-CG1 4.1Å; I103-V116 HydrophobicContact CD1-CG2 4.37Å; I103-L126 HydrophobicContact CD1-CD2 4.22Å; I103-L130 HydrophobicContact CB-CD2 4.06Å; I103-L130 HydrophobicContact CD1-CD1 4.13Å; I103-L130 HydrophobicContact CD1-CD2 4.26Å; I103-L130 HydrophobicContact CG2-CD2 3.8Å; I103-Y134 HydrophobicContact CG2-CD1 3.75Å; I103-Y134 HydrophobicContact CG2-CE1 3.36Å; I103-F165 HydrophobicContact CG1-CD1 4.1Å; I103-F165 HydrophobicContact CG1-CE1 4.47Å; I103-F165 HydrophobicContact CG1-CG 4.37Å; I103-F165 HydrophobicContact CG2-CD2 4.38Å; I103-F165 HydrophobicContact CG2-CE2 4.25Å; I103-F165 HydrophobicContact CG2-CZ 4.34Å; I103-V167 HydrophobicContact CD1-CG2 4.18Å; I103-I195 HydrophobicContact CD1-CD1 4.17Å; I103-I195 HydrophobicContact CG1-CD1 3.42Å; I103-I195 VanDerWaalsContact CG1-CD1 3.42Å
104V95.1Very high92.9Very high52 Ų5259.6 Ų59.632%0.31532%0.317SS..Hα-helixtrans-67.9-38.3-178.4175.50000112K100 S101 K102 C107 L130 P131K100-V104 WeakPolarHBondContact O-CG2 3.32Å; K100-V104 PolarHBondContact O-N 2.95Å; K100-V104 VanDerWaalsContact O-N 3.12Å; S101-V104 PolarHBondContact O-N 3.17Å; K102-V104 VanDerWaalsContact C-N 3.34Å; V104-C107 PolarHBondContact O-N 3.46Å; V104-L130 HydrophobicContact CG2-CD2 4.31Å; V104-P131 HydrophobicContact CG2-CG 4.47Å
105E94.6Very high93.1Very high120 Ų12058.8 Ų58.856%0.56131%0.313SS*.Hα-helixtrans-64.8-35.1177.6-77.3169-151.900113.2S101 K102 C107S101-E105 WeakPolarHBondContact O-CB 3.42Å; S101-E105 VanDerWaalsContact O-CG 3.22Å; S101-E105 WeakPolarHBondContact O-CG 3.48Å; S101-E105 PolarHBondContact O-N 3.49Å; K102-E105 WeakPolarHBondContact CD-OE2 3.36Å; K102-E105 IonicContact NZ-OE1 3.8Å; K102-E105 IonicContact NZ-OE2 3.75Å; K102-E105 PolarHBondContact NZ-OE2 3.36Å; K102-E105 PolarHBondContact O-N 2.88Å; E105-C107 VanDerWaalsContact C-N 3.26Å; E105-C107 PolarHBondContact O-N 3.44Å
106E93.6Very high93.2Very high67 Ų6758.8 Ų58.831%0.31331%0.313SS..Hα-helixtrans-76.9-12.9178-71.3-68.3130.800113.1K102 I103 F165 L236 R238K102-E106 WeakPolarHBondContact O-CG 3.38Å; K102-E106 PolarHBondContact O-N 3.12Å; K102-E106 VanDerWaalsContact O-N 3.1Å; I103-E106 PolarHBondContact O-N 3.4Å; E106-F165 HydrophobicContact CB-CE1 4Å; E106-F165 HydrophobicContact CB-CZ 4.16Å; E106-L236 HydrophobicContact CG-CD2 3.94Å; E106-L236 VanDerWaalsContact OE1-CD2 3.26Å; E106-L236 WeakPolarHBondContact OE1-CD2 3.31Å; E106-R238 IonicContact OE2-NH2 3.53Å; E106-R238 PolarHBondContact OE2-NH2 3.31Å
107C88.2Confident93.3Very high14 Ų1458.2 Ų58.210%0.09531%0.31CS..  trans-96.6111.5-178.3-65.40000111.1I103 V104 E105 Y114 Y134 F165I103-C107 PolarHBondContact O-N 3.41Å; I103-C107 PolarHBondContact O-SG 3.03Å; V104-C107 PolarHBondContact O-N 3.46Å; E105-C107 VanDerWaalsContact C-N 3.26Å; E105-C107 PolarHBondContact O-N 3.44Å; C107-Y114 HydrophobicContact CB-CD2 4.35Å; C107-Y114 HydrophobicContact CB-CE1 4.28Å; C107-Y114 HydrophobicContact CB-CE2 3.71Å; C107-Y134 WeakPolarHBondContact CB-OH 3.22Å; C107-Y134 PolarHBondContact SG-OH 2.89Å; C107-F165 VanDerWaalsContact SG-CZ 3.52Å
108S79.4Confident93.4Very high120 Ų12055.3 Ų55.384%0.83930%0.295SS*.  trans-84.1-27.9-18058.80000113.7
109N84.8Confident93.5Very high74 Ų7454.3 Ų54.340%0.39629%0.292SS..  trans-110.5112.5-173.4-172.4-10.1000111.4M111 T112 Y114N109-M111 PolarHBondContact O-N 3.36Å; N109-M111 WeakPolarHBondContact OD1-CB 3.36Å; N109-M111 PolarHBondContact OD1-N 2.71Å; N109-T112 VanDerWaalsContact CG-OG1 3.28Å; N109-T112 PolarHBondContact ND2-OG1 3.49Å; N109-T112 VanDerWaalsContact ND2-OG1 3.07Å; N109-T112 PolarHBondContact O-N 2.69Å; N109-Y114 PolarHBondContact N-OH 2.75Å; N109-Y114 WeakPolarHBondContact O-CE2 3.24Å; N109-Y114 PolarHBondContact O-OH 3.1Å; N109-Y114 VanDerWaalsContact O-OH 3.07Å
110L79.1Confident93.5Very high143 Ų14355.3 Ų55.375%0.74930%0.302SS*.THydrogen-bonded Turntrans-69.3-18.1178.5-62.7176000113.8N133L110-N133 PolarHBondContact O-ND2 3.41Å
111M83.6Confident93.5Very high167 Ų16752.4 Ų52.482%0.82329%0.291SS*.THydrogen-bonded Turntrans-91.9-7.5-179.7-61.3-58.2-61.700113.3N109N109-M111 PolarHBondContact O-N 3.36Å; N109-M111 WeakPolarHBondContact OD1-CB 3.36Å; N109-M111 PolarHBondContact OD1-N 2.71Å
112T92Very high93.4Very high53 Ų5350.7 Ų50.733%0.32528%0.279SS..SBendtrans-84.6135.8177.8-60.60000109.7N109 Y114 N133N109-T112 VanDerWaalsContact CG-OG1 3.28Å; N109-T112 PolarHBondContact ND2-OG1 3.49Å; N109-T112 VanDerWaalsContact ND2-OG1 3.07Å; N109-T112 PolarHBondContact O-N 2.69Å; T112-Y114 HydrophobicContact CG2-CD1 4.38Å; T112-Y114 HydrophobicContact CG2-CE1 3.94Å; T112-Y114 HydrophobicContact CG2-CE2 4.19Å; T112-Y114 VanDerWaalsContact O-CD2 3.31Å; T112-Y114 WeakPolarHBondContact O-CD2 3.44Å; T112-Y114 VanDerWaalsContact O-CE2 3.32Å; T112-Y114 WeakPolarHBondContact O-CE2 3.44Å; T112-N133 PolarHBondContact O-ND2 3.17Å
113N95.4Very high93.3Very high128 Ų12851 Ų5168%0.68428%0.283SS*.  trans-79.5131.9168.3-68.8-17.7000109N133N113-N133 VanDerWaalsContact CA-O 3.26Å; N113-N133 WeakPolarHBondContact CA-O 3.36Å
114Y97.3Very high93.3Very high26 Ų2651 Ų5110%0.10228%0.283CS..EExtended strand (participates in β ladder)trans-114.8149.2178.1-62.4-82.6000110.4C107 N109 T112 N133 Y134 E135 D164 F165C107-Y114 HydrophobicContact CB-CD2 4.35Å; C107-Y114 HydrophobicContact CB-CE1 4.28Å; C107-Y114 HydrophobicContact CB-CE2 3.71Å; N109-Y114 PolarHBondContact N-OH 2.75Å; N109-Y114 WeakPolarHBondContact O-CE2 3.24Å; N109-Y114 PolarHBondContact O-OH 3.1Å; N109-Y114 VanDerWaalsContact O-OH 3.07Å; T112-Y114 HydrophobicContact CG2-CD1 4.38Å; T112-Y114 HydrophobicContact CG2-CE1 3.94Å; T112-Y114 HydrophobicContact CG2-CE2 4.19Å; T112-Y114 VanDerWaalsContact O-CD2 3.31Å; T112-Y114 WeakPolarHBondContact O-CD2 3.44Å; T112-Y114 VanDerWaalsContact O-CE2 3.32Å; T112-Y114 WeakPolarHBondContact O-CE2 3.44Å; Y114-N133 PolarHBondContact N-O 3.31Å; Y114-Y134 HydrophobicContact CD2-CD1 4.33Å; Y114-Y134 AromaticContact CD2-CE1 3.73Å; Y114-Y134 HydrophobicContact CD2-CE1 3.73Å; Y114-Y134 HydrophobicContact CD2-CE2 4.22Å; Y114-Y134 AromaticContact CD2-CZ 3.7Å; Y114-Y134 HydrophobicContact CG-CD1 4.37Å; Y114-Y134 AromaticContact CG-CE1 3.96Å; Y114-Y134 HydrophobicContact CG-CE1 3.96Å; Y114-Y134 CarbonylContact O-C 3.13Å; Y114-Y134 WeakPolarHBondContact O-CA 3.35Å; Y114-E135 PolarHBondContact O-N 3.38Å; Y114-D164 WeakPolarHBondContact CA-OD2 3.36Å; Y114-D164 HydrophobicContact CD1-CB 4.44Å; Y114-F165 HydrophobicContact CD1-CE2 4.13Å; Y114-F165 HydrophobicContact CG-CE2 4.42Å
115T98.1Very high93.3Very high19 Ų1950.9 Ų50.912%0.11728%0.277CS..EExtended strand (participates in β ladder)trans-116.7131.6-178.8480000110.2E135 Y137 E162 V163 D164 F165T115-E135 CarbonylContact C-O 3.52Å; T115-E135 WeakPolarHBondContact CA-O 3.36Å; T115-E135 HydrophobicContact CG2-CB 4.35Å; T115-Y137 HydrophobicContact CG2-CE2 4.25Å; T115-E162 PolarHBondContact OG1-O 3.12Å; T115-V163 WeakPolarHBondContact OG1-CA 3.43Å; T115-D164 PolarHBondContact N-OD2 3.23Å; T115-D164 WeakPolarHBondContact O-CB 3.29Å; T115-D164 PolarHBondContact O-N 3.02Å; T115-D164 PolarHBondContact OG1-N 3.06Å; T115-D164 VanDerWaalsContact OG1-N 3.16Å; T115-D164 PolarHBondContact OG1-OD2 2.66Å; T115-F165 PolarHBondContact O-N 2.9Å
116V98.7Very high93.5Very high0 Ų045.2 Ų45.20%025%0.25CS..EExtended strand (participates in β ladder)trans-126.9129.2-175.5-175.20000109.1I103 L126 L130 Y134 E135 V136 Y137 F165 V167I103-V116 HydrophobicContact CD1-CG1 4.1Å; I103-V116 HydrophobicContact CD1-CG2 4.37Å; V116-L126 HydrophobicContact CG1-CD2 4.11Å; V116-L130 HydrophobicContact CG2-CD1 4.27Å; V116-Y134 HydrophobicContact CG2-CD1 4.3Å; V116-E135 PolarHBondContact N-O 3.28Å; V116-V136 HydrophobicContact CB-CG1 4.24Å; V116-V136 HydrophobicContact CB-CG2 4.22Å; V116-V136 HydrophobicContact CG1-CG1 4.36Å; V116-V136 CarbonylContact O-C 3.59Å; V116-V136 WeakPolarHBondContact O-CA 3.49Å; V116-Y137 PolarHBondContact O-N 3.35Å; V116-F165 CarbonylContact C-O 3.46Å; V116-F165 WeakPolarHBondContact CA-O 3.45Å; V116-F165 HydrophobicContact CB-CB 4.35Å; V116-F165 HydrophobicContact CG1-CB 4.06Å; V116-F165 HydrophobicContact CG2-CB 4.13Å; V116-F165 HydrophobicContact CG2-CD2 4.12Å; V116-F165 HydrophobicContact CG2-CG 4.45Å; V116-V167 HydrophobicContact CG1-CG2 3.91Å
117A98.9Very high93.6Very high0 Ų043.8 Ų43.80%025%0.248CC..EExtended strand (participates in β ladder)trans-98.2115.716500000109.7L119 F139 L158 V163 F165 A166 V167 I187A117-L119 HydrophobicContact CB-CD2 4.41Å; A117-L119 HydrophobicContact CB-CG 4.42Å; A117-F139 HydrophobicContact CB-CD2 4.42Å; A117-F139 HydrophobicContact CB-CE2 4.12Å; A117-L158 HydrophobicContact CB-CD1 4.19Å; A117-V163 HydrophobicContact CB-CG1 4.24Å; A117-V163 HydrophobicContact CB-CG2 4.05Å; A117-F165 PolarHBondContact N-O 3.47Å; A117-A166 CarbonylContact O-C 3.31Å; A117-A166 WeakPolarHBondContact O-CA 3.21Å; A117-V167 PolarHBondContact O-N 3.28Å; A117-I187 HydrophobicContact CB-CD1 3.75Å
118D98.8Very high94Very high4 Ų449 Ų492%0.02127%0.27CS..EExtended strand (participates in β ladder)trans-95.2104.2171.3-169.23.5000108.7C121 L126 V136 Y137 F138 F139D118-C121 HydrophobicContact CB-CB 3.93Å; D118-L126 HydrophobicContact CB-CD2 4.35Å; D118-V136 HydrophobicContact CB-CG1 4.17Å; D118-Y137 PolarHBondContact N-O 2.8Å; D118-F138 HydrophobicContact CB-CD1 3.86Å; D118-F138 HydrophobicContact CB-CE1 4.19Å; D118-F139 PolarHBondContact O-N 3.45Å
119L98.8Very high94.8Very high0 Ų045.9 Ų45.90%024%0.244CC..EExtended strand (participates in β ladder)trans-97.1114.4-169.8-60.9166.5000109.7A117 F139 M153 T156 A166 V167 F168 S171 A184 I187A117-L119 HydrophobicContact CB-CD2 4.41Å; A117-L119 HydrophobicContact CB-CG 4.42Å; L119-F139 HydrophobicContact CD2-CB 4.35Å; L119-F139 HydrophobicContact CD2-CD2 3.85Å; L119-F139 HydrophobicContact CD2-CG 4.44Å; L119-M153 HydrophobicContact CB-CB 4.26Å; L119-M153 HydrophobicContact CB-SD 4.02Å; L119-M153 HydrophobicContact CD2-CB 4.1Å; L119-T156 HydrophobicContact CD2-CG2 3.69Å; L119-A166 HydrophobicContact CD1-CB 4.26Å; L119-V167 WeakPolarHBondContact CB-O 3.41Å; L119-V167 PolarHBondContact N-O 2.77Å; L119-F168 HydrophobicContact CB-CD1 3.73Å; L119-F168 HydrophobicContact CB-CE1 3.44Å; L119-F168 VanDerWaalsContact CB-CE1 3.44Å; L119-F168 HydrophobicContact CB-CZ 4.09Å; L119-F168 HydrophobicContact CD1-CD1 4.35Å; L119-F168 HydrophobicContact CD1-CE1 3.59Å; L119-F168 HydrophobicContact CD1-CE2 3.8Å; L119-F168 HydrophobicContact CD1-CZ 3.27Å; L119-F168 HydrophobicContact CG-CE1 4.15Å; L119-F168 HydrophobicContact CG-CZ 4.3Å; L119-S171 WeakPolarHBondContact O-CB 3.11Å; L119-S171 PolarHBondContact O-OG 2.82Å; L119-A184 HydrophobicContact CD1-CB 4.26Å; L119-I187 HydrophobicContact CD1-CD1 4.3Å; L119-I187 HydrophobicContact CD2-CD1 4.32Å
120G98Very high95.4Very high21 Ų2143.1 Ų43.122%0.21623%0.229CC..THydrogen-bonded Turntrans74.949.1-167.400000111.6G122 F139 D140G120-G122 VanDerWaalsContact C-N 3.33Å; G120-G122 PolarHBondContact O-N 3.41Å; G120-F139 VanDerWaalsContact CA-O 3.27Å; G120-F139 WeakPolarHBondContact CA-O 3.39Å; G120-F139 PolarHBondContact N-O 2.79Å; G120-D140 VanDerWaalsContact C-OD2 3.28Å
121C97.9Very high96.1Very high12 Ų1239 Ų398%0.08121%0.211CC..  trans-75.9-12.9-168.262.50000115.5D118 D123 G124 F138 F139 D140D118-C121 HydrophobicContact CB-CB 3.93Å; C121-D123 PolarHBondContact O-N 3.06Å; C121-G124 PolarHBondContact O-N 2.83Å; C121-F138 HydrophobicContact CB-CB 4.15Å; C121-F138 HydrophobicContact CB-CD1 3.72Å; C121-F138 HydrophobicContact CB-CG 4.42Å; C121-F138 VanDerWaalsContact SG-CB 3.54Å; C121-F139 PolarHBondContact N-O 3.42Å; C121-F139 VanDerWaalsContact N-O 3.08Å; C121-F139 PolarHBondContact SG-N 3.08Å; C121-F139 VanDerWaalsContact SG-N 3.42Å; C121-F139 PolarHBondContact SG-O 3Å; C121-D140 PolarHBondContact N-OD2 3.11Å
122G95.4Very high96.5Very high6 Ų637.3 Ų37.36%0.06222%0.216CC..THydrogen-bonded Turntrans59-105.5-173.600000114H81 G120 G124 D140H81-G122 WeakPolarHBondContact CE1-CA 3.46Å; G120-G122 VanDerWaalsContact C-N 3.33Å; G120-G122 PolarHBondContact O-N 3.41Å; G122-G124 VanDerWaalsContact C-N 3.33Å; G122-D140 WeakPolarHBondContact CA-OD2 3.35Å; G122-D140 PolarHBondContact N-OD2 2.8Å
123D94.6Very high96.7Very high46 Ų4636.3 Ų36.325%0.24621%0.209CC..THydrogen-bonded Turntrans-85.2-2.6-178.162.8-4.1000114.2Q85 C121 R125 L144 N145Q85-D123 PolarHBondContact NE2-OD2 3.18Å; C121-D123 PolarHBondContact O-N 3.06Å; D123-R125 WeakPolarHBondContact OD1-CD 3.12Å; D123-R125 VanDerWaalsContact OD1-CG 3.3Å; D123-R125 WeakPolarHBondContact OD1-CG 3.47Å; D123-R125 IonicContact OD1-NE 3.81Å; D123-R125 PolarHBondContact OD1-NE 3.12Å; D123-R125 IonicContact OD2-NE 2.69Å; D123-L144 HydrophobicContact CB-CD1 4.29Å; D123-N145 PolarHBondContact O-ND2 3.04Å
124G96.5Very high96.7Very high0 Ų031.1 Ų31.10%018%0.18CC..THydrogen-bonded Turntrans67.253.9172.200000113C121 G122 F138C121-G124 PolarHBondContact O-N 2.83Å; G122-G124 VanDerWaalsContact C-N 3.33Å; G124-F138 VanDerWaalsContact C-CE1 3.41Å; G124-F138 WeakPolarHBondContact O-CZ 3.43Å
125R96.1Very high96.7Very high49 Ų4935 Ų3519%0.18520%0.199CC..  trans-107.7-3.7-171.367.7-174.5171124.223.2116.2D94 L96 D123 S127 H128D94-R125 VanDerWaalsContact CG-NH2 3.26Å; D94-R125 IonicContact OD1-NH2 3.49Å; D94-R125 PolarHBondContact OD1-NH2 2.9Å; D94-R125 IonicContact OD2-CZ 3.83Å; D94-R125 IonicContact OD2-NH1 3.47Å; D94-R125 PolarHBondContact OD2-NH1 2.77Å; D94-R125 IonicContact OD2-NH2 2.66Å; D94-R125 PolarHBondContact OD2-NH2 3.44Å; L96-R125 HydrophobicContact CD1-CG 3.75Å; D123-R125 WeakPolarHBondContact OD1-CD 3.12Å; D123-R125 VanDerWaalsContact OD1-CG 3.3Å; D123-R125 WeakPolarHBondContact OD1-CG 3.47Å; D123-R125 IonicContact OD1-NE 3.81Å; D123-R125 PolarHBondContact OD1-NE 3.12Å; D123-R125 IonicContact OD2-NE 2.69Å; R125-S127 VanDerWaalsContact C-N 3.27Å; R125-S127 PolarHBondContact O-N 2.86Å; R125-H128 PolarHBondContact O-N 2.85Å; R125-H128 PolarHBondContact O-ND1 2.8Å; R125-H128 VanDerWaalsContact O-ND1 3.15Å
126L98Very high96.7Very high0 Ų035.1 Ų35.10%020%0.199CC..G310 helixtrans-59.8-35.3-178.1179.258.7000112.9L96 V99 I103 V116 D118 H128 L129 L130 F138 V167L96-L126 HydrophobicContact CD2-CD1 4.29Å; V99-L126 HydrophobicContact CG1-CD1 4.18Å; V99-L126 HydrophobicContact CG1-CD2 4.27Å; I103-L126 HydrophobicContact CD1-CD2 4.22Å; V116-L126 HydrophobicContact CG1-CD2 4.11Å; D118-L126 HydrophobicContact CB-CD2 4.35Å; L126-H128 PolarHBondContact O-N 3.23Å; L126-L129 HydrophobicContact CD1-CD1 4.49Å; L126-L129 WeakPolarHBondContact O-CB 3.44Å; L126-L129 PolarHBondContact O-N 3.39Å; L126-L130 HydrophobicContact CD1-CD1 4.34Å; L126-L130 HydrophobicContact CD1-CG 4.38Å; L126-L130 HydrophobicContact CD2-CD1 4.36Å; L126-L130 HydrophobicContact CG-CD1 3.91Å; L126-L130 HydrophobicContact CG-CG 4.4Å; L126-L130 PolarHBondContact O-N 3.01Å; L126-F138 HydrophobicContact CB-CE1 4.01Å; L126-V167 HydrophobicContact CD2-CG2 4.31Å
127S96.7Very high96.7Very high38 Ų3837.6 Ų37.627%0.26621%0.209SC..G310 helixtrans-62.4-28.1-179.856.80000113.4R125 L129 L130 F138R125-S127 VanDerWaalsContact C-N 3.27Å; R125-S127 PolarHBondContact O-N 2.86Å; S127-L129 PolarHBondContact O-N 3.26Å; S127-L130 PolarHBondContact O-N 3.25Å; S127-F138 WeakPolarHBondContact OG-CZ 3.3Å
128H96.4Very high96.7Very high122 Ų12237.9 Ų37.957%0.56521%0.21SC*.G310 helixtrans-69.6-18.9174.9-51.1113000113.1R125 L126 R147R125-H128 PolarHBondContact O-N 2.85Å; R125-H128 PolarHBondContact O-ND1 2.8Å; R125-H128 VanDerWaalsContact O-ND1 3.15Å; L126-H128 PolarHBondContact O-N 3.23Å; H128-R147 PolarHBondContact CE1-NH1 3.35Å; H128-R147 PolarHBondContact NE2-NH1 3.17Å
129L96.5Very high96.7Very high56 Ų5637.7 Ų37.729%0.29321%0.209SC..THydrogen-bonded Turntrans-93-21.5179.5-55176.9000111.7L96 I97 K100 L126 S127L96-L129 HydrophobicContact CB-CD1 3.7Å; I97-L129 HydrophobicContact CD1-CD1 4.3Å; I97-L129 HydrophobicContact CD1-CD2 4.25Å; K100-L129 HydrophobicContact CB-CB 4.12Å; K100-L129 VanDerWaalsContact CE-O 3.23Å; K100-L129 WeakPolarHBondContact CE-O 3.44Å; K100-L129 HydrophobicContact CG-CB 3.89Å; K100-L129 VanDerWaalsContact CG-O 3.3Å; K100-L129 WeakPolarHBondContact CG-O 3.19Å; L126-L129 HydrophobicContact CD1-CD1 4.49Å; L126-L129 WeakPolarHBondContact O-CB 3.44Å; L126-L129 PolarHBondContact O-N 3.39Å; S127-L129 PolarHBondContact O-N 3.26Å
130L96.1Very high96.6Very high15 Ų1538.6 Ų38.68%0.07921%0.214CC..SBendtrans-93.9154.4-176.2-67.9173.9000111.7K100 I103 V104 V116 L126 S127 Y134 V136K100-L130 HydrophobicContact CB-CD2 4.36Å; K100-L130 HydrophobicContact CG-CD2 3.93Å; I103-L130 HydrophobicContact CB-CD2 4.06Å; I103-L130 HydrophobicContact CD1-CD1 4.13Å; I103-L130 HydrophobicContact CD1-CD2 4.26Å; I103-L130 HydrophobicContact CG2-CD2 3.8Å; V104-L130 HydrophobicContact CG2-CD2 4.31Å; V116-L130 HydrophobicContact CG2-CD1 4.27Å; L126-L130 HydrophobicContact CD1-CD1 4.34Å; L126-L130 HydrophobicContact CD1-CG 4.38Å; L126-L130 HydrophobicContact CD2-CD1 4.36Å; L126-L130 HydrophobicContact CG-CD1 3.91Å; L126-L130 HydrophobicContact CG-CG 4.4Å; L126-L130 PolarHBondContact O-N 3.01Å; S127-L130 PolarHBondContact O-N 3.25Å; L130-Y134 HydrophobicContact CB-CG 4.24Å; L130-Y134 HydrophobicContact CD1-CD1 4.4Å; L130-Y134 HydrophobicContact CD1-CG 4.47Å; L130-V136 HydrophobicContact CD1-CG2 3.87Å
131P94Very high96.6Very high57 Ų5739.5 Ų39.537%0.3721%0.214SC..  trans-60.2159.1170.3-22.734.5000112.8V104 N133 Y134V104-P131 HydrophobicContact CG2-CG 4.47Å; P131-N133 VanDerWaalsContact C-N 3.26Å; P131-N133 VanDerWaalsContact CB-OD1 3.29Å; P131-N133 WeakPolarHBondContact CB-OD1 3.48Å; P131-N133 PolarHBondContact O-N 2.96Å; P131-Y134 HydrophobicContact CB-CD2 3.81Å; P131-Y134 HydrophobicContact CB-CE2 3.86Å; P131-Y134 HydrophobicContact CG-CD2 4.04Å; P131-Y134 HydrophobicContact CG-CE2 3.74Å; P131-Y134 WeakPolarHBondContact O-CB 3.33Å; P131-Y134 WeakPolarHBondContact O-CD2 3.45Å; P131-Y134 PolarHBondContact O-N 2.99Å; P131-Y134 VanDerWaalsContact O-N 3.11Å
132S93.5Very high96.5Very high132 Ų13240.8 Ų40.892%0.92322%0.221SC*.THydrogen-bonded Turntrans-69.5-16.1-172.656.70000115.4Y134S132-Y134 PolarHBondContact O-N 3.21Å
133N94.2Very high96.4Very high32 Ų3243 Ų4317%0.17124%0.236CC..THydrogen-bonded Turntrans-79.54.2173.363.5-55.1000113L110 T112 N113 Y114 P131L110-N133 PolarHBondContact O-ND2 3.41Å; T112-N133 PolarHBondContact O-ND2 3.17Å; N113-N133 VanDerWaalsContact CA-O 3.26Å; N113-N133 WeakPolarHBondContact CA-O 3.36Å; Y114-N133 PolarHBondContact N-O 3.31Å; P131-N133 VanDerWaalsContact C-N 3.26Å; P131-N133 VanDerWaalsContact CB-OD1 3.29Å; P131-N133 WeakPolarHBondContact CB-OD1 3.48Å; P131-N133 PolarHBondContact O-N 2.96Å
134Y96.2Very high96.3Very high19 Ų1944.1 Ų44.18%0.07524%0.241CC..EExtended strand (participates in β ladder)trans-102.1116175.2-66.7-107.3000109.5I103 C107 Y114 V116 L130 P131 S132I103-Y134 HydrophobicContact CG2-CD1 3.75Å; I103-Y134 HydrophobicContact CG2-CE1 3.36Å; C107-Y134 WeakPolarHBondContact CB-OH 3.22Å; C107-Y134 PolarHBondContact SG-OH 2.89Å; Y114-Y134 HydrophobicContact CD2-CD1 4.33Å; Y114-Y134 AromaticContact CD2-CE1 3.73Å; Y114-Y134 HydrophobicContact CD2-CE1 3.73Å; Y114-Y134 HydrophobicContact CD2-CE2 4.22Å; Y114-Y134 AromaticContact CD2-CZ 3.7Å; Y114-Y134 HydrophobicContact CG-CD1 4.37Å; Y114-Y134 AromaticContact CG-CE1 3.96Å; Y114-Y134 HydrophobicContact CG-CE1 3.96Å; Y114-Y134 CarbonylContact O-C 3.13Å; Y114-Y134 WeakPolarHBondContact O-CA 3.35Å; V116-Y134 HydrophobicContact CG2-CD1 4.3Å; L130-Y134 HydrophobicContact CB-CG 4.24Å; L130-Y134 HydrophobicContact CD1-CD1 4.4Å; L130-Y134 HydrophobicContact CD1-CG 4.47Å; P131-Y134 HydrophobicContact CB-CD2 3.81Å; P131-Y134 HydrophobicContact CB-CE2 3.86Å; P131-Y134 HydrophobicContact CG-CD2 4.04Å; P131-Y134 HydrophobicContact CG-CE2 3.74Å; P131-Y134 WeakPolarHBondContact O-CB 3.33Å; P131-Y134 WeakPolarHBondContact O-CD2 3.45Å; P131-Y134 PolarHBondContact O-N 2.99Å; P131-Y134 VanDerWaalsContact O-N 3.11Å; S132-Y134 PolarHBondContact O-N 3.21Å
135E97.2Very high96.1Very high108 Ų10846.3 Ų46.351%0.50525%0.253SS..EExtended strand (participates in β ladder)trans-88.1126.7170-177.3170.7-154.900109.2Y114 T115 V116 Y137Y114-E135 PolarHBondContact O-N 3.38Å; T115-E135 CarbonylContact C-O 3.52Å; T115-E135 WeakPolarHBondContact CA-O 3.36Å; T115-E135 HydrophobicContact CG2-CB 4.35Å; V116-E135 PolarHBondContact N-O 3.28Å; E135-Y137 HydrophobicContact CG-CE2 4.27Å; E135-Y137 PolarHBondContact OE1-OH 2.87Å; E135-Y137 PolarHBondContact OE2-OH 3.23Å
136V98.5Very high96.1Very high21 Ų2153.5 Ų53.513%0.12729%0.289CS..EExtended strand (participates in β ladder)trans-118.1118.6-177.8-169.50000109.9V116 D118 L130 F138V116-V136 HydrophobicContact CB-CG1 4.24Å; V116-V136 HydrophobicContact CB-CG2 4.22Å; V116-V136 HydrophobicContact CG1-CG1 4.36Å; V116-V136 CarbonylContact O-C 3.59Å; V116-V136 WeakPolarHBondContact O-CA 3.49Å; D118-V136 HydrophobicContact CB-CG1 4.17Å; L130-V136 HydrophobicContact CD1-CG2 3.87Å; V136-F138 HydrophobicContact CB-CE1 4.22Å; V136-F138 HydrophobicContact CB-CE2 3.93Å; V136-F138 HydrophobicContact CB-CZ 3.72Å; V136-F138 HydrophobicContact CG1-CD1 3.91Å; V136-F138 HydrophobicContact CG1-CD2 4.43Å; V136-F138 HydrophobicContact CG1-CE1 3.42Å; V136-F138 VanDerWaalsContact CG1-CE1 3.42Å; V136-F138 HydrophobicContact CG1-CE2 3.97Å; V136-F138 HydrophobicContact CG1-CG 4.41Å; V136-F138 HydrophobicContact CG1-CZ 3.45Å; V136-F138 VanDerWaalsContact CG1-CZ 3.45Å
137Y98.6Very high95.9Very high51 Ų5159 Ų5920%0.231%0.31CS..EExtended strand (participates in β ladder)trans-87.7122168.4-59-81.8000109.2T115 V116 D118 E135 F139 L158 V163T115-Y137 HydrophobicContact CG2-CE2 4.25Å; V116-Y137 PolarHBondContact O-N 3.35Å; D118-Y137 PolarHBondContact N-O 2.8Å; E135-Y137 HydrophobicContact CG-CE2 4.27Å; E135-Y137 PolarHBondContact OE1-OH 2.87Å; E135-Y137 PolarHBondContact OE2-OH 3.23Å; Y137-F139 VanDerWaalsContact CB-CE2 3.43Å; Y137-F139 HydrophobicContact CG-CE2 4.46Å; Y137-F139 HydrophobicContact CG-CZ 4.35Å; Y137-L158 HydrophobicContact CD1-CD2 4.28Å; Y137-L158 HydrophobicContact CD2-CD2 4.38Å; Y137-L158 HydrophobicContact CE1-CD2 4.43Å; Y137-L158 HydrophobicContact CG-CD2 4.26Å; Y137-V163 HydrophobicContact CD2-CG1 3.98Å; Y137-V163 HydrophobicContact CE2-CG1 4.23Å
138F98.7Very high96Very high6 Ų657.5 Ų57.53%0.02630%0.298CS..EExtended strand (participates in β ladder)trans-104.4118.9-177.8-67.6-66.4000109.8D118 C121 G124 L126 S127 V136 R147 V148 I149D118-F138 HydrophobicContact CB-CD1 3.86Å; D118-F138 HydrophobicContact CB-CE1 4.19Å; C121-F138 HydrophobicContact CB-CB 4.15Å; C121-F138 HydrophobicContact CB-CD1 3.72Å; C121-F138 HydrophobicContact CB-CG 4.42Å; C121-F138 VanDerWaalsContact SG-CB 3.54Å; G124-F138 VanDerWaalsContact C-CE1 3.41Å; G124-F138 WeakPolarHBondContact O-CZ 3.43Å; L126-F138 HydrophobicContact CB-CE1 4.01Å; S127-F138 WeakPolarHBondContact OG-CZ 3.3Å; V136-F138 HydrophobicContact CB-CE1 4.22Å; V136-F138 HydrophobicContact CB-CE2 3.93Å; V136-F138 HydrophobicContact CB-CZ 3.72Å; V136-F138 HydrophobicContact CG1-CD1 3.91Å; V136-F138 HydrophobicContact CG1-CD2 4.43Å; V136-F138 HydrophobicContact CG1-CE1 3.42Å; V136-F138 VanDerWaalsContact CG1-CE1 3.42Å; V136-F138 HydrophobicContact CG1-CE2 3.97Å; V136-F138 HydrophobicContact CG1-CG 4.41Å; V136-F138 HydrophobicContact CG1-CZ 3.45Å; V136-F138 VanDerWaalsContact CG1-CZ 3.45Å; F138-R147 HydrophobicContact CD2-CB 4.15Å; F138-V148 HydrophobicContact CB-CG2 4.19Å; F138-I149 WeakPolarHBondContact O-CB 3.46Å; F138-I149 PolarHBondContact O-N 3.16Å
139F98.7Very high96.1Very high0 Ų055 Ų550%029%0.288CS..EExtended strand (participates in β ladder)trans-120.2128.6-179.9-58.7-71.1000111.3A117 D118 L119 G120 C121 Y137 I149 C151 T156 P157 L158A117-F139 HydrophobicContact CB-CD2 4.42Å; A117-F139 HydrophobicContact CB-CE2 4.12Å; D118-F139 PolarHBondContact O-N 3.45Å; L119-F139 HydrophobicContact CD2-CB 4.35Å; L119-F139 HydrophobicContact CD2-CD2 3.85Å; L119-F139 HydrophobicContact CD2-CG 4.44Å; G120-F139 VanDerWaalsContact CA-O 3.27Å; G120-F139 WeakPolarHBondContact CA-O 3.39Å; G120-F139 PolarHBondContact N-O 2.79Å; C121-F139 PolarHBondContact N-O 3.42Å; C121-F139 VanDerWaalsContact N-O 3.08Å; C121-F139 PolarHBondContact SG-N 3.08Å; C121-F139 VanDerWaalsContact SG-N 3.42Å; C121-F139 PolarHBondContact SG-O 3Å; Y137-F139 VanDerWaalsContact CB-CE2 3.43Å; Y137-F139 HydrophobicContact CG-CE2 4.46Å; Y137-F139 HydrophobicContact CG-CZ 4.35Å; F139-I149 HydrophobicContact CD1-CB 3.78Å; F139-I149 HydrophobicContact CD1-CD1 4.31Å; F139-I149 HydrophobicContact CD1-CG2 3.97Å; F139-I149 HydrophobicContact CE1-CB 3.91Å; F139-I149 HydrophobicContact CE1-CD1 3.6Å; F139-I149 HydrophobicContact CE1-CG1 4.34Å; F139-I149 HydrophobicContact CE1-CG2 3.96Å; F139-I149 HydrophobicContact CZ-CD1 4.19Å; F139-C151 WeakPolarHBondContact CD1-SG 3.21Å; F139-T156 HydrophobicContact CD2-CG2 4.31Å; F139-T156 HydrophobicContact CG-CG2 4.37Å; F139-P157 HydrophobicContact CE1-CG 3.73Å; F139-P157 HydrophobicContact CZ-CG 4.48Å; F139-L158 HydrophobicContact CE2-CD1 3.6Å; F139-L158 HydrophobicContact CE2-CG 4.08Å; F139-L158 HydrophobicContact CZ-CD1 3.73Å; F139-L158 HydrophobicContact CZ-CD2 4.08Å; F139-L158 HydrophobicContact CZ-CG 3.65Å
140D98Very high96.1Very high19 Ų1955.2 Ų55.210%0.10230%0.298CS..EExtended strand (participates in β ladder)trans-151165.6171.7-149.1-62.1000110.3F77 G120 C121 G122 V142 V148 I149 A150 C151F77-D140 WeakPolarHBondContact CZ-OD1 3.49Å; G120-D140 VanDerWaalsContact C-OD2 3.28Å; C121-D140 PolarHBondContact N-OD2 3.11Å; G122-D140 WeakPolarHBondContact CA-OD2 3.35Å; G122-D140 PolarHBondContact N-OD2 2.8Å; D140-V142 PolarHBondContact O-N 3.36Å; D140-V148 HydrophobicContact CB-CG1 3.94Å; D140-I149 PolarHBondContact N-O 3.31Å; D140-A150 CarbonylContact O-C 3.22Å; D140-A150 VanDerWaalsContact O-CA 3.24Å; D140-A150 WeakPolarHBondContact O-CA 3.5Å; D140-C151 CarbonylContact C-O 3.59Å; D140-C151 VanDerWaalsContact C-O 3.24Å; D140-C151 PolarHBondContact O-N 3.21Å
141L97Very high96.2Very high41 Ų4155.7 Ų55.722%0.21530%0.303CS..SBendtrans-62.9-27.6-179.7-64.3178.4000112.6A66 A67 F70 C151 D152A66-L141 HydrophobicContact CB-CD1 3.66Å; A67-L141 HydrophobicContact CB-CD2 4.16Å; F70-L141 HydrophobicContact CD2-CB 4.41Å; F70-L141 HydrophobicContact CD2-CD1 4.08Å; F70-L141 HydrophobicContact CE2-CD1 4.17Å; L141-C151 PolarHBondContact N-O 2.86Å; L141-D152 HydrophobicContact CD2-CB 4.32Å
142V95Very high96.4Very high39 Ų3954.9 Ų54.924%0.23630%0.295CS..SBendtrans-138.1138178.61790000109.7F70 F77 D140F70-V142 HydrophobicContact CB-CG2 3.71Å; F70-V142 HydrophobicContact CG-CG2 4.31Å; F77-V142 HydrophobicContact CB-CB 4.39Å; F77-V142 HydrophobicContact CB-CG1 4.41Å; F77-V142 HydrophobicContact CB-CG2 4.29Å; F77-V142 HydrophobicContact CD1-CB 3.53Å; F77-V142 HydrophobicContact CD1-CG1 3.69Å; F77-V142 HydrophobicContact CD1-CG2 4.27Å; F77-V142 HydrophobicContact CD2-CB 3.88Å; F77-V142 HydrophobicContact CD2-CG2 3.86Å; F77-V142 HydrophobicContact CE1-CB 3.59Å; F77-V142 HydrophobicContact CE1-CG1 4.08Å; F77-V142 WeakPolarHBondContact CE1-O 3.34Å; F77-V142 HydrophobicContact CE2-CB 3.96Å; F77-V142 HydrophobicContact CE2-CG2 4.22Å; F77-V142 HydrophobicContact CG-CB 3.67Å; F77-V142 HydrophobicContact CG-CG1 4.04Å; F77-V142 HydrophobicContact CG-CG2 3.89Å; F77-V142 HydrophobicContact CZ-CB 3.81Å; D140-V142 PolarHBondContact O-N 3.36Å
143S94.5Very high96.6Very high53 Ų5349.5 Ų49.537%0.37126%0.256SS..  trans-82.6119.5176.6-177.80000111.3N145 V148S143-N145 PolarHBondContact OG-O 3.41Å; S143-V148 VanDerWaalsContact CB-O 3.25Å; S143-V148 WeakPolarHBondContact CB-O 3.47Å; S143-V148 PolarHBondContact OG-O 3.2Å
144L91.4Very high96.8Very high68 Ų6848.9 Ų48.936%0.35626%0.255SS..SBendtrans-87.4-18.7172.2-68.9174.3000113.4F77 H81 D123F77-L144 HydrophobicContact CD1-CD2 3.65Å; F77-L144 HydrophobicContact CD1-CG 4.11Å; F77-L144 HydrophobicContact CE1-CD1 4.06Å; F77-L144 HydrophobicContact CE1-CD2 3.8Å; F77-L144 HydrophobicContact CE1-CG 3.7Å; H81-L144 HydrophobicContact CB-CD1 4.19Å; D123-L144 HydrophobicContact CB-CD1 4.29Å
145N93.7Very high96.9Very high46 Ų4654.7 Ų54.725%0.24628%0.283CS..SBendtrans-161.3164.3-179.662.686.6000109.7D123 S143 R147 V148D123-N145 PolarHBondContact O-ND2 3.04Å; S143-N145 PolarHBondContact OG-O 3.41Å; N145-R147 PolarHBondContact O-N 3.2Å; N145-R147 WeakPolarHBondContact OD1-CB 3.33Å; N145-R147 PolarHBondContact OD1-N 2.9Å; N145-R147 PolarHBondContact OD1-NE 3.05Å; N145-V148 PolarHBondContact O-N 2.87Å
146E94.8Very high97Very high201 Ų20149.7 Ų49.794%0.93926%0.259SS*.THydrogen-bonded Turntrans-58.1-17.4-171.8-62177.9176.600115.2
147R95.3Very high96.9Very high116 Ų11653 Ų5344%0.43828%0.282SS..THydrogen-bonded Turntrans-82.1-21.3178.1-57.8175.8-69.1-167.5-0.5113.2H128 F138 N145H128-R147 PolarHBondContact CE1-NH1 3.35Å; H128-R147 PolarHBondContact NE2-NH1 3.17Å; F138-R147 HydrophobicContact CD2-CB 4.15Å; N145-R147 PolarHBondContact O-N 3.2Å; N145-R147 WeakPolarHBondContact OD1-CB 3.33Å; N145-R147 PolarHBondContact OD1-N 2.9Å; N145-R147 PolarHBondContact OD1-NE 3.05Å
148V97.7Very high96.9Very high5 Ų551.1 Ų51.13%0.0328%0.275CS..EExtended strand (participates in β ladder)trans-90.3120-177.5-179.40000109.3F138 D140 S143 N145F138-V148 HydrophobicContact CB-CG2 4.19Å; D140-V148 HydrophobicContact CB-CG1 3.94Å; S143-V148 VanDerWaalsContact CB-O 3.25Å; S143-V148 WeakPolarHBondContact CB-O 3.47Å; S143-V148 PolarHBondContact OG-O 3.2Å; N145-V148 PolarHBondContact O-N 2.87Å
149I98Very high96.9Very high69 Ų6958.1 Ų58.135%0.35431%0.305SS..EExtended strand (participates in β ladder)trans-83117174.3-59.7168.3000107.9F138 F139 D140 C151 P157F138-I149 WeakPolarHBondContact O-CB 3.46Å; F138-I149 PolarHBondContact O-N 3.16Å; F139-I149 HydrophobicContact CD1-CB 3.78Å; F139-I149 HydrophobicContact CD1-CD1 4.31Å; F139-I149 HydrophobicContact CD1-CG2 3.97Å; F139-I149 HydrophobicContact CE1-CB 3.91Å; F139-I149 HydrophobicContact CE1-CD1 3.6Å; F139-I149 HydrophobicContact CE1-CG1 4.34Å; F139-I149 HydrophobicContact CE1-CG2 3.96Å; F139-I149 HydrophobicContact CZ-CD1 4.19Å; D140-I149 PolarHBondContact N-O 3.31Å; I149-C151 PolarHBondContact O-N 2.76Å; I149-P157 HydrophobicContact CG2-CG 4.15Å
150A97.7Very high96.9Very high61 Ų6162.7 Ų62.750%0.50433%0.33SS..EExtended strand (participates in β ladder)trans-74.2108.317700000110.6D140D140-A150 CarbonylContact O-C 3.22Å; D140-A150 VanDerWaalsContact O-CA 3.24Å; D140-A150 WeakPolarHBondContact O-CA 3.5Å
151C97.9Very high96.9Very high25 Ų2565.6 Ų65.617%0.16935%0.345CS..SBendtrans-156.7167173.774.50000111.7F139 D140 L141 I149F139-C151 WeakPolarHBondContact CD1-SG 3.21Å; D140-C151 CarbonylContact C-O 3.59Å; D140-C151 VanDerWaalsContact C-O 3.24Å; D140-C151 PolarHBondContact O-N 3.21Å; L141-C151 PolarHBondContact N-O 2.86Å; I149-C151 PolarHBondContact O-N 2.76Å
152D98.2Very high97Very high40 Ų4066.4 Ų66.421%0.21435%0.348CS..  trans-76.7125.5163.5-166.1-28.1000108.9S63 L141 A154 H155S63-D152 VanDerWaalsContact CB-OD1 3.32Å; S63-D152 WeakPolarHBondContact CB-OD1 3.39Å; S63-D152 WeakPolarHBondContact CB-OD2 3.26Å; S63-D152 PolarHBondContact OG-OD1 3.45Å; S63-D152 VanDerWaalsContact OG-OD1 3.08Å; S63-D152 PolarHBondContact OG-OD2 3.39Å; L141-D152 HydrophobicContact CD2-CB 4.32Å; D152-A154 PolarHBondContact O-N 3.32Å; D152-A154 WeakPolarHBondContact OD1-CB 3.46Å; D152-A154 PolarHBondContact OD1-N 3.08Å; D152-H155 CarbonylContact O-C 3.52Å; D152-H155 PolarHBondContact O-N 3.25Å; D152-H155 VanDerWaalsContact O-O 3.1Å
153M98Very high97.1Very high19 Ų1964.5 Ų64.59%0.09434%0.337CS..THydrogen-bonded Turntrans-70.2-5.4177.267.3176.3178.500113.6L119 F168 S171 F180 E183L119-M153 HydrophobicContact CB-CB 4.26Å; L119-M153 HydrophobicContact CB-SD 4.02Å; L119-M153 HydrophobicContact CD2-CB 4.1Å; M153-F168 HydrophobicContact CE-CE1 4.44Å; M153-F168 HydrophobicContact SD-CD1 4.2Å; M153-F168 HydrophobicContact SD-CE1 3.78Å; M153-S171 WeakPolarHBondContact CE-O 3.24Å; M153-F180 HydrophobicContact CE-CB 4.41Å; M153-F180 HydrophobicContact CE-CD1 3.96Å; M153-F180 HydrophobicContact CE-CD2 3.27Å; M153-F180 HydrophobicContact CE-CE1 4.04Å; M153-F180 HydrophobicContact CE-CE2 3.39Å; M153-F180 HydrophobicContact CE-CG 3.62Å; M153-F180 HydrophobicContact CE-CZ 3.8Å; M153-F180 HydrophobicContact CG-CD1 3.9Å; M153-F180 HydrophobicContact CG-CE1 4.29Å; M153-F180 HydrophobicContact CG-CG 4.2Å; M153-F180 HydrophobicContact SD-CG 4.4Å; M153-E183 WeakPolarHBondContact O-CG 3.25Å
154A98Very high97.3Very high19 Ų1963.5 Ų63.516%0.15733%0.327CS..THydrogen-bonded Turntrans-71.8-18163.200000112.8D152 E179 F180D152-A154 PolarHBondContact O-N 3.32Å; D152-A154 WeakPolarHBondContact OD1-CB 3.46Å; D152-A154 PolarHBondContact OD1-N 3.08Å; A154-E179 HydrophobicContact CB-CB 3.89Å; A154-F180 HydrophobicContact CB-CD1 3.87Å; A154-F180 HydrophobicContact CB-CE1 3.99Å
155H97.9Very high97.7Very high141 Ų14160.7 Ų60.765%0.65331%0.312SS*.SBendtrans-150.579.9179.5-164.361000110.9D152D152-H155 CarbonylContact O-C 3.52Å; D152-H155 PolarHBondContact O-N 3.25Å; D152-H155 VanDerWaalsContact O-O 3.1Å
156T98.6Very high97.9Very high3 Ų358.5 Ų58.52%0.01830%0.3CS..  trans-72.9154.317870.50000111.1L119 F139 L158 E183 R186 I187L119-T156 HydrophobicContact CD2-CG2 3.69Å; F139-T156 HydrophobicContact CD2-CG2 4.31Å; F139-T156 HydrophobicContact CG-CG2 4.37Å; T156-L158 PolarHBondContact O-N 3.19Å; T156-E183 WeakPolarHBondContact CA-OE1 3.37Å; T156-E183 WeakPolarHBondContact CB-OE1 3.35Å; T156-E183 HydrophobicContact CG2-CG 4.01Å; T156-E183 PolarHBondContact N-OE1 3.04Å; T156-E183 PolarHBondContact OG1-OE1 2.85Å; T156-R186 PolarHBondContact O-NH2 2.6Å; T156-R186 VanDerWaalsContact O-NH2 3.17Å; T156-R186 PolarHBondContact OG1-NH2 2.87Å; T156-I187 WeakPolarHBondContact OG1-CG2 3.49Å
157P98.2Very high98.1Very high91 Ų9148.9 Ų48.959%0.59126%0.255SS*.SBendtrans-74.12175.231.7-36.6000113.9F139 I149F139-P157 HydrophobicContact CE1-CG 3.73Å; F139-P157 HydrophobicContact CZ-CG 4.48Å; I149-P157 HydrophobicContact CG2-CG 4.15Å
158L98.5Very high98.3Very high12 Ų1243.4 Ų43.46%0.06324%0.235CC..PPolyproline II helixtrans-71.5150.1178.1-65.2173.3000111.2A117 Y137 F139 T156 E162 V163 R186 I187A117-L158 HydrophobicContact CB-CD1 4.19Å; Y137-L158 HydrophobicContact CD1-CD2 4.28Å; Y137-L158 HydrophobicContact CD2-CD2 4.38Å; Y137-L158 HydrophobicContact CE1-CD2 4.43Å; Y137-L158 HydrophobicContact CG-CD2 4.26Å; F139-L158 HydrophobicContact CE2-CD1 3.6Å; F139-L158 HydrophobicContact CE2-CG 4.08Å; F139-L158 HydrophobicContact CZ-CD1 3.73Å; F139-L158 HydrophobicContact CZ-CD2 4.08Å; F139-L158 HydrophobicContact CZ-CG 3.65Å; T156-L158 PolarHBondContact O-N 3.19Å; L158-E162 WeakPolarHBondContact CA-OE2 3.44Å; L158-E162 HydrophobicContact CD2-CG 4.26Å; L158-E162 WeakPolarHBondContact CD2-OE2 3.45Å; L158-V163 HydrophobicContact CD1-CG1 3.82Å; L158-R186 VanDerWaalsContact O-CZ 3.27Å; L158-R186 PolarHBondContact O-NH1 3.1Å; L158-R186 PolarHBondContact O-NH2 3.15Å; L158-I187 HydrophobicContact CB-CB 4.33Å; L158-I187 HydrophobicContact CB-CG2 3.82Å; L158-I187 HydrophobicContact CD1-CB 4.21Å; L158-I187 HydrophobicContact CD1-CD1 3.97Å; L158-I187 HydrophobicContact CD1-CG2 4.28Å
159K98.2Very high98.3Very high152 Ų15243.7 Ų43.766%0.66124%0.237SC*.PPolyproline II helixtrans-72.4169.4168.7-59.6173.6-174.2167.80110.3E162K159-E162 HydrophobicContact CB-CB 4.44Å; K159-E162 WeakPolarHBondContact CB-OE2 3.42Å; K159-E162 PolarHBondContact N-OE2 2.91Å
160N98.2Very high98.3Very high96 Ų9641 Ų4151%0.51322%0.223SC..THydrogen-bonded Turntrans-66.2143.4172.2-60-8.4000109.7E162 R186N160-E162 VanDerWaalsContact C-N 3.26Å; N160-E162 PolarHBondContact O-N 3.36Å; N160-R186 WeakPolarHBondContact CA-O 3.27Å; N160-R186 WeakPolarHBondContact OD1-CD 3.42Å; N160-R186 WeakPolarHBondContact OD1-CG 3.35Å; N160-R186 PolarHBondContact OD1-NH1 3.4Å
161D98.3Very high98.3Very high80 Ų8038.5 Ų38.543%0.42820%0.202SC..THydrogen-bonded Turntrans54.539173.8-53.1-62.3000113.5R186 I187 K189 K239D161-R186 PolarHBondContact N-O 3.3Å; D161-I187 CarbonylContact C-O 3.24Å; D161-K189 HydrophobicContact CB-CG 4.4Å; D161-K189 WeakPolarHBondContact O-CG 3.38Å; D161-K239 IonicContact OD1-NZ 3.96Å; D161-K239 PolarHBondContact OD1-NZ 3.18Å
162E98.3Very high98.2Very high58 Ų5837.4 Ų37.427%0.27119%0.194SC..  trans-92.3-32.9-175.5-171.2159.1-159.900113.2T115 L158 K159 N160 I187 K189T115-E162 PolarHBondContact OG1-O 3.12Å; L158-E162 WeakPolarHBondContact CA-OE2 3.44Å; L158-E162 HydrophobicContact CD2-CG 4.26Å; L158-E162 WeakPolarHBondContact CD2-OE2 3.45Å; K159-E162 HydrophobicContact CB-CB 4.44Å; K159-E162 WeakPolarHBondContact CB-OE2 3.42Å; K159-E162 PolarHBondContact N-OE2 2.91Å; N160-E162 VanDerWaalsContact C-N 3.26Å; N160-E162 PolarHBondContact O-N 3.36Å; E162-I187 PolarHBondContact N-O 3.21Å; E162-K189 WeakPolarHBondContact O-CE 3.3Å
163V98.7Very high98.1Very high0 Ų036.4 Ų36.40%019%0.188CC..EExtended strand (participates in β ladder)trans-111.5149.3-173.7-60.90000114.1T115 A117 Y137 L158 I187 L188 K189T115-V163 WeakPolarHBondContact OG1-CA 3.43Å; A117-V163 HydrophobicContact CB-CG1 4.24Å; A117-V163 HydrophobicContact CB-CG2 4.05Å; Y137-V163 HydrophobicContact CD2-CG1 3.98Å; Y137-V163 HydrophobicContact CE2-CG1 4.23Å; L158-V163 HydrophobicContact CD1-CG1 3.82Å; V163-I187 HydrophobicContact CG2-CB 4.19Å; V163-I187 HydrophobicContact CG2-CD1 4.06Å; V163-I187 HydrophobicContact CG2-CG1 3.84Å; V163-I187 WeakPolarHBondContact CG2-O 3.32Å; V163-I187 PolarHBondContact N-O 3.22Å; V163-L188 HydrophobicContact CG2-CD2 4.29Å; V163-L188 CarbonylContact O-C 3.54Å; V163-L188 WeakPolarHBondContact O-CA 3.31Å; V163-K189 PolarHBondContact O-N 3.01Å
164D98.3Very high98Very high32 Ų3235.8 Ų35.817%0.17119%0.187CC..EExtended strand (participates in β ladder)trans-81.9-34.7176.1-55.3-66.6000111.8Y114 T115 L188 K189 G192 I193Y114-D164 WeakPolarHBondContact CA-OD2 3.36Å; Y114-D164 HydrophobicContact CD1-CB 4.44Å; T115-D164 PolarHBondContact N-OD2 3.23Å; T115-D164 WeakPolarHBondContact O-CB 3.29Å; T115-D164 PolarHBondContact O-N 3.02Å; T115-D164 PolarHBondContact OG1-N 3.06Å; T115-D164 VanDerWaalsContact OG1-N 3.16Å; T115-D164 PolarHBondContact OG1-OD2 2.66Å; D164-L188 WeakPolarHBondContact O-CD2 3.3Å; D164-K189 VanDerWaalsContact CG-NZ 3.28Å; D164-K189 VanDerWaalsContact OD1-CD 3.28Å; D164-K189 WeakPolarHBondContact OD1-CD 3.23Å; D164-K189 IonicContact OD1-NZ 2.74Å; D164-K189 PolarHBondContact OD1-NZ 2.54Å; D164-K189 IonicContact OD2-NZ 3.45Å; D164-K189 PolarHBondContact OD2-NZ 3.09Å; D164-G192 CarbonylContact O-C 3.55Å; D164-G192 VanDerWaalsContact O-CA 3.32Å; D164-G192 WeakPolarHBondContact O-CA 3.3Å; D164-I193 PolarHBondContact O-N 3.43Å
165F98.8Very high98Very high8 Ų838.3 Ų38.34%0.03520%0.201CC..EExtended strand (participates in β ladder)trans-127.9141.5-179.4-60.6-91.1000111.5I103 E106 C107 Y114 T115 V116 A117 I193 I195I103-F165 HydrophobicContact CG1-CD1 4.1Å; I103-F165 HydrophobicContact CG1-CE1 4.47Å; I103-F165 HydrophobicContact CG1-CG 4.37Å; I103-F165 HydrophobicContact CG2-CD2 4.38Å; I103-F165 HydrophobicContact CG2-CE2 4.25Å; I103-F165 HydrophobicContact CG2-CZ 4.34Å; E106-F165 HydrophobicContact CB-CE1 4Å; E106-F165 HydrophobicContact CB-CZ 4.16Å; C107-F165 VanDerWaalsContact SG-CZ 3.52Å; Y114-F165 HydrophobicContact CD1-CE2 4.13Å; Y114-F165 HydrophobicContact CG-CE2 4.42Å; T115-F165 PolarHBondContact O-N 2.9Å; V116-F165 CarbonylContact C-O 3.46Å; V116-F165 WeakPolarHBondContact CA-O 3.45Å; V116-F165 HydrophobicContact CB-CB 4.35Å; V116-F165 HydrophobicContact CG1-CB 4.06Å; V116-F165 HydrophobicContact CG2-CB 4.13Å; V116-F165 HydrophobicContact CG2-CD2 4.12Å; V116-F165 HydrophobicContact CG2-CG 4.45Å; A117-F165 PolarHBondContact N-O 3.47Å; F165-I193 CarbonylContact C-O 3.53Å; F165-I193 VanDerWaalsContact CA-O 3.3Å; F165-I193 WeakPolarHBondContact CA-O 3.36Å; F165-I193 HydrophobicContact CD1-CB 3.6Å; F165-I193 HydrophobicContact CD1-CG1 4.33Å; F165-I193 HydrophobicContact CD1-CG2 3.9Å; F165-I193 HydrophobicContact CE1-CB 3.75Å; F165-I193 HydrophobicContact CE1-CG1 3.97Å; F165-I193 HydrophobicContact CE1-CG2 4.07Å; F165-I195 HydrophobicContact CD1-CD1 4.18Å
166A98.9Very high97.9Very high0 Ų032.4 Ų32.40%017%0.174CC..EExtended strand (participates in β ladder)trans-124.6128.6166.900000108.7A117 L119 A184 L188 I193 L194 I195A117-A166 CarbonylContact O-C 3.31Å; A117-A166 WeakPolarHBondContact O-CA 3.21Å; L119-A166 HydrophobicContact CD1-CB 4.26Å; A166-A184 HydrophobicContact CB-CB 4.2Å; A166-L188 HydrophobicContact CB-CD1 3.9Å; A166-L188 HydrophobicContact CB-CD2 4Å; A166-L188 HydrophobicContact CB-CG 3.8Å; A166-I193 PolarHBondContact N-O 2.87Å; A166-L194 HydrophobicContact CB-CD1 4.27Å; A166-L194 WeakPolarHBondContact O-CA 3.33Å; A166-I195 PolarHBondContact O-N 3.46Å
167V98.9Very high97.9Very high0 Ų032.4 Ų32.40%017%0.174CC..EExtended strand (participates in β ladder)trans-117.7126.6-172.8178.60000109.3V99 I103 V116 A117 L119 L126 C169 I195V99-V167 HydrophobicContact CG1-CB 4.49Å; V99-V167 HydrophobicContact CG1-CG1 3.7Å; V99-V167 HydrophobicContact CG1-CG2 3.9Å; V99-V167 HydrophobicContact CG2-CG1 4.22Å; I103-V167 HydrophobicContact CD1-CG2 4.18Å; V116-V167 HydrophobicContact CG1-CG2 3.91Å; A117-V167 PolarHBondContact O-N 3.28Å; L119-V167 WeakPolarHBondContact CB-O 3.41Å; L119-V167 PolarHBondContact N-O 2.77Å; L126-V167 HydrophobicContact CD2-CG2 4.31Å; V167-C169 HydrophobicContact CG1-CB 4.09Å; V167-I195 HydrophobicContact CG2-CB 4.3Å; V167-I195 HydrophobicContact CG2-CD1 4.28Å
168F98.8Very high97.9Very high1 Ų128.9 Ų28.90%0.00415%0.152CC..EExtended strand (participates in β ladder)trans-113.1105.2159.7-64.7-77.7000109L119 M153 S171 L172 F180 L181 A184 L194 I195 I196 V197L119-F168 HydrophobicContact CB-CD1 3.73Å; L119-F168 HydrophobicContact CB-CE1 3.44Å; L119-F168 VanDerWaalsContact CB-CE1 3.44Å; L119-F168 HydrophobicContact CB-CZ 4.09Å; L119-F168 HydrophobicContact CD1-CD1 4.35Å; L119-F168 HydrophobicContact CD1-CE1 3.59Å; L119-F168 HydrophobicContact CD1-CE2 3.8Å; L119-F168 HydrophobicContact CD1-CZ 3.27Å; L119-F168 HydrophobicContact CG-CE1 4.15Å; L119-F168 HydrophobicContact CG-CZ 4.3Å; M153-F168 HydrophobicContact CE-CE1 4.44Å; M153-F168 HydrophobicContact SD-CD1 4.2Å; M153-F168 HydrophobicContact SD-CE1 3.78Å; F168-S171 WeakPolarHBondContact CA-OG 3.39Å; F168-S171 WeakPolarHBondContact CD1-OG 3.47Å; F168-L172 HydrophobicContact CB-CD1 4.44Å; F168-L172 HydrophobicContact CB-CD2 3.91Å; F168-L172 HydrophobicContact CB-CG 3.89Å; F168-L172 HydrophobicContact CD1-CD2 3.42Å; F168-L172 VanDerWaalsContact CD1-CD2 3.42Å; F168-L172 HydrophobicContact CD1-CG 4.24Å; F168-L172 HydrophobicContact CD2-CD2 3.92Å; F168-L172 HydrophobicContact CE1-CD2 3.82Å; F168-L172 HydrophobicContact CE2-CD2 4.26Å; F168-L172 HydrophobicContact CG-CD2 3.47Å; F168-L172 VanDerWaalsContact CG-CD2 3.47Å; F168-L172 HydrophobicContact CG-CG 4.04Å; F168-L172 HydrophobicContact CZ-CD2 4.21Å; F168-F180 HydrophobicContact CE1-CB 3.75Å; F168-F180 HydrophobicContact CZ-CB 3.71Å; F168-F180 WeakPolarHBondContact CZ-O 3.41Å; F168-L181 HydrophobicContact CD2-CD2 4.48Å; F168-L181 HydrophobicContact CE2-CD1 4.31Å; F168-L181 HydrophobicContact CE2-CD2 4.07Å; F168-L181 HydrophobicContact CZ-CD2 4.36Å; F168-A184 HydrophobicContact CE2-CB 3.71Å; F168-A184 HydrophobicContact CZ-CB 4.06Å; F168-L194 HydrophobicContact CD2-CD1 3.75Å; F168-L194 HydrophobicContact CE2-CD1 3.83Å; F168-I195 PolarHBondContact N-O 3.37Å; F168-I196 WeakPolarHBondContact O-CA 3.37Å; F168-V197 PolarHBondContact O-N 2.84Å
169C98.3Very high97.8Very high11 Ų1131.2 Ų31.27%0.07416%0.162CC..EExtended strand (participates in β ladder)trans-111.698.5176.5-168.60000109.3L96 V99 V167 S171L96-C169 HydrophobicContact CD2-CB 3.84Å; V99-C169 HydrophobicContact CG2-CB 4.39Å; V167-C169 HydrophobicContact CG1-CB 4.09Å; C169-S171 PolarHBondContact N-OG 2.93Å; C169-S171 PolarHBondContact O-N 3.27Å
170L96.6Very high97.9Very high12 Ų1224 Ų246%0.06313%0.131CC..SBendtrans60.122-177.5-48.9179000114.4Y84 W91 P95 V197 V199 F232Y84-L170 HydrophobicContact CE2-CD1 4.19Å; W91-L170 HydrophobicContact CE3-CD1 4.42Å; W91-L170 HydrophobicContact CH2-CD1 3.36Å; W91-L170 HydrophobicContact CZ3-CD1 3.19Å; P95-L170 HydrophobicContact CG-CD1 3.76Å; P95-L170 HydrophobicContact CG-CG 4.24Å; L170-V197 PolarHBondContact N-O 2.95Å; L170-V199 HydrophobicContact CD2-CG2 4.24Å; L170-F232 HydrophobicContact CD1-CE1 4.43Å; L170-F232 HydrophobicContact CD2-CD1 3.98Å; L170-F232 HydrophobicContact CD2-CE1 3.73Å
171S97.8Very high97.9Very high9 Ų919.4 Ų19.46%0.06311%0.106CC..  trans-109.6-3.8-169.754.40000114.6L119 M153 F168 C169 M173L119-S171 WeakPolarHBondContact O-CB 3.11Å; L119-S171 PolarHBondContact O-OG 2.82Å; M153-S171 WeakPolarHBondContact CE-O 3.24Å; F168-S171 WeakPolarHBondContact CA-OG 3.39Å; F168-S171 WeakPolarHBondContact CD1-OG 3.47Å; C169-S171 PolarHBondContact N-OG 2.93Å; C169-S171 PolarHBondContact O-N 3.27Å; S171-M173 PolarHBondContact O-N 3.19Å
172L97.7Very high97.9Very high1 Ų117.7 Ų17.71%0.0059%0.094CC..  trans-74.745.1179.4-63.7179.6000113.2F168 F180 L181 I196 R202 F210 L256F168-L172 HydrophobicContact CB-CD1 4.44Å; F168-L172 HydrophobicContact CB-CD2 3.91Å; F168-L172 HydrophobicContact CB-CG 3.89Å; F168-L172 HydrophobicContact CD1-CD2 3.42Å; F168-L172 VanDerWaalsContact CD1-CD2 3.42Å; F168-L172 HydrophobicContact CD1-CG 4.24Å; F168-L172 HydrophobicContact CD2-CD2 3.92Å; F168-L172 HydrophobicContact CE1-CD2 3.82Å; F168-L172 HydrophobicContact CE2-CD2 4.26Å; F168-L172 HydrophobicContact CG-CD2 3.47Å; F168-L172 VanDerWaalsContact CG-CD2 3.47Å; F168-L172 HydrophobicContact CG-CG 4.04Å; F168-L172 HydrophobicContact CZ-CD2 4.21Å; L172-F180 HydrophobicContact CD2-CB 4.42Å; L172-F180 HydrophobicContact CD2-CD2 4.21Å; L172-L181 HydrophobicContact CD1-CD2 4.21Å; L172-L181 HydrophobicContact CD2-CD2 3.38Å; L172-L181 HydrophobicContact CG-CD2 4.45Å; L172-I196 HydrophobicContact CD1-CG2 3.87Å; L172-R202 VanDerWaalsContact C-NH1 3.29Å; L172-R202 PolarHBondContact O-NH1 2.88Å; L172-R202 PolarHBondContact O-NH2 3.04Å; L172-F210 HydrophobicContact CD1-CZ 4.25Å; L172-L256 HydrophobicContact CB-CD1 3.97Å; L172-L256 HydrophobicContact CD1-CD1 4.47Å
173M95.5Very high97.9Very high19 Ų1915.2 Ų15.29%0.0948%0.082CC..  trans-77.7-47.6-165.3-54.1177.77900112.7N55 L58 Y59 Y80 S171 R202N55-M173 WeakPolarHBondContact OD1-CE 3.08Å; L58-M173 HydrophobicContact CB-CB 4.25Å; L58-M173 HydrophobicContact CB-CE 3.55Å; L58-M173 HydrophobicContact CB-SD 4.13Å; L58-M173 HydrophobicContact CD1-CE 3.74Å; L58-M173 HydrophobicContact CD1-SD 4Å; L58-M173 HydrophobicContact CG-CE 4.3Å; L58-M173 CarbonylContact O-C 3.49Å; L58-M173 VanDerWaalsContact O-C 3.31Å; Y59-M173 WeakPolarHBondContact CA-O 3.47Å; Y59-M173 HydrophobicContact CD1-CB 3.79Å; Y59-M173 HydrophobicContact CD1-CG 4.19Å; Y59-M173 HydrophobicContact CD2-CE 4.06Å; Y59-M173 HydrophobicContact CE1-CB 3.73Å; Y59-M173 HydrophobicContact CE1-CE 4.05Å; Y59-M173 HydrophobicContact CE1-CG 3.59Å; Y59-M173 HydrophobicContact CE2-CE 3.46Å; Y59-M173 VanDerWaalsContact CE2-CE 3.46Å; Y59-M173 HydrophobicContact CG-CB 4.5Å; Y59-M173 VanDerWaalsContact CZ-CE 3.47Å; Y80-M173 HydrophobicContact CE2-CE 4.31Å; Y80-M173 WeakPolarHBondContact OH-CE 3.33Å; Y80-M173 PolarHBondContact OH-SD 3.41Å; S171-M173 PolarHBondContact O-N 3.19Å; M173-R202 PolarHBondContact O-NH2 3.11Å
174G96.4Very high97.9Very high7 Ų715.2 Ų15.27%0.0728%0.082CC..SBendtrans-60.2149-172.500000114.7L58 C61 N176 C177L58-G174 PolarHBondContact O-N 3.06Å; C61-G174 WeakPolarHBondContact O-CA 3.28Å; G174-N176 PolarHBondContact O-N 3.25Å; G174-C177 WeakPolarHBondContact O-CB 3.35Å; G174-C177 PolarHBondContact O-N 3.35Å; G174-C177 VanDerWaalsContact O-N 3.15Å
175T96.8Very high97.9Very high72 Ų7213.7 Ų13.744%0.4427%0.074SC..THydrogen-bonded Turntrans-64.8-19.8177.457.50000113.3C61 T62 C177C61-T175 VanDerWaalsContact C-OG1 3.28Å; C61-T175 PolarHBondContact O-N 3.4Å; C61-T175 PolarHBondContact O-OG1 3.17Å; C61-T175 VanDerWaalsContact O-OG1 3.11Å; T62-T175 PolarHBondContact N-OG1 2.91Å; T175-C177 VanDerWaalsContact C-N 3.33Å
176N97.2Very high97.9Very high17 Ų1715 Ų159%0.0918%0.079CC..THydrogen-bonded Turntrans-91.825.8174.363.2-45000112.9T62 S63 G174 S178 E179 F180T62-N176 WeakPolarHBondContact CA-OD1 3.29Å; T62-N176 HydrophobicContact CG2-CB 4.35Å; S63-N176 PolarHBondContact N-OD1 3.31Å; S63-N176 PolarHBondContact OG-ND2 3.23Å; G174-N176 PolarHBondContact O-N 3.25Å; N176-S178 PolarHBondContact O-N 3.28Å; N176-E179 PolarHBondContact ND2-OE2 3.36Å; N176-E179 WeakPolarHBondContact O-CB 2.99Å; N176-E179 PolarHBondContact O-N 3.47Å; N176-F180 WeakPolarHBondContact OD1-CZ 3.5Å
177C96.8Very high97.9Very high2 Ų215 Ų151%0.0148%0.079CC..Hα-helixtrans-61.2-12.5-175.570.70000116G174 T175 E179 F180 L181 L254G174-C177 WeakPolarHBondContact O-CB 3.35Å; G174-C177 PolarHBondContact O-N 3.35Å; G174-C177 VanDerWaalsContact O-N 3.15Å; T175-C177 VanDerWaalsContact C-N 3.33Å; C177-E179 PolarHBondContact O-N 3.04Å; C177-F180 HydrophobicContact CB-CD2 3.52Å; C177-F180 HydrophobicContact CB-CE2 3.69Å; C177-F180 HydrophobicContact CB-CG 4.42Å; C177-F180 PolarHBondContact O-N 3.12Å; C177-L181 WeakPolarHBondContact O-CD2 3.44Å; C177-L181 PolarHBondContact O-N 3.44Å; C177-L254 PolarHBondContact SG-O 3.31Å
178S97.9Very high97.9Very high17 Ų1715 Ų1512%0.1198%0.079CC..Hα-helixtrans-57.1-37.5166.6-57.50000111.8N176 Y182 Y217 L254N176-S178 PolarHBondContact O-N 3.28Å; S178-Y182 WeakPolarHBondContact O-CB 3.38Å; S178-Y182 PolarHBondContact O-N 3.07Å; S178-Y217 VanDerWaalsContact CB-OH 3.22Å; S178-Y217 WeakPolarHBondContact CB-OH 3.27Å; S178-Y217 VanDerWaalsContact O-CE1 3.32Å; S178-Y217 WeakPolarHBondContact O-CE1 3.47Å; S178-Y217 PolarHBondContact OG-OH 3.36Å; S178-L254 PolarHBondContact OG-N 3.39Å
179E98.2Very high97.9Very high61 Ų6118.1 Ų18.129%0.2859%0.093SC..Hα-helixtrans-69.7-36.9177.7-65166.2-167.900111.9A154 N176 C177 L181 Y182 E183 V248A154-E179 HydrophobicContact CB-CB 3.89Å; N176-E179 PolarHBondContact ND2-OE2 3.36Å; N176-E179 WeakPolarHBondContact O-CB 2.99Å; N176-E179 PolarHBondContact O-N 3.47Å; C177-E179 PolarHBondContact O-N 3.04Å; E179-L181 VanDerWaalsContact C-N 3.35Å; E179-L181 PolarHBondContact O-N 2.97Å; E179-Y182 PolarHBondContact O-N 2.86Å; E179-E183 VanDerWaalsContact O-CB 3.28Å; E179-E183 WeakPolarHBondContact O-CB 3.47Å; E179-E183 PolarHBondContact O-N 2.81Å; E179-V248 HydrophobicContact CG-CG1 4.31Å; E179-V248 HydrophobicContact CG-CG2 4.03Å
180F98.6Very high97.9Very high1 Ų122.6 Ų22.60%0.00412%0.124CC..Hα-helixtrans-63.4-43.5177-45.3-27.8000111.1M153 A154 F168 L172 N176 C177 E183 A184M153-F180 HydrophobicContact CE-CB 4.41Å; M153-F180 HydrophobicContact CE-CD1 3.96Å; M153-F180 HydrophobicContact CE-CD2 3.27Å; M153-F180 HydrophobicContact CE-CE1 4.04Å; M153-F180 HydrophobicContact CE-CE2 3.39Å; M153-F180 HydrophobicContact CE-CG 3.62Å; M153-F180 HydrophobicContact CE-CZ 3.8Å; M153-F180 HydrophobicContact CG-CD1 3.9Å; M153-F180 HydrophobicContact CG-CE1 4.29Å; M153-F180 HydrophobicContact CG-CG 4.2Å; M153-F180 HydrophobicContact SD-CG 4.4Å; A154-F180 HydrophobicContact CB-CD1 3.87Å; A154-F180 HydrophobicContact CB-CE1 3.99Å; F168-F180 HydrophobicContact CE1-CB 3.75Å; F168-F180 HydrophobicContact CZ-CB 3.71Å; F168-F180 WeakPolarHBondContact CZ-O 3.41Å; L172-F180 HydrophobicContact CD2-CB 4.42Å; L172-F180 HydrophobicContact CD2-CD2 4.21Å; N176-F180 WeakPolarHBondContact OD1-CZ 3.5Å; C177-F180 HydrophobicContact CB-CD2 3.52Å; C177-F180 HydrophobicContact CB-CE2 3.69Å; C177-F180 HydrophobicContact CB-CG 4.42Å; C177-F180 PolarHBondContact O-N 3.12Å; F180-E183 PolarHBondContact O-N 3.05Å; F180-A184 WeakPolarHBondContact O-CB 3.26Å; F180-A184 PolarHBondContact O-N 3.12Å
181L98.6Very high98Very high0 Ų023.3 Ų23.30%014%0.135CC..Hα-helixtrans-72.2-32.9179.8-83.2-71.6000111.9F168 L172 C177 E179 N185 L194 I196 L214 Y217 L254F168-L181 HydrophobicContact CD2-CD2 4.48Å; F168-L181 HydrophobicContact CE2-CD1 4.31Å; F168-L181 HydrophobicContact CE2-CD2 4.07Å; F168-L181 HydrophobicContact CZ-CD2 4.36Å; L172-L181 HydrophobicContact CD1-CD2 4.21Å; L172-L181 HydrophobicContact CD2-CD2 3.38Å; L172-L181 HydrophobicContact CG-CD2 4.45Å; C177-L181 WeakPolarHBondContact O-CD2 3.44Å; C177-L181 PolarHBondContact O-N 3.44Å; E179-L181 VanDerWaalsContact C-N 3.35Å; E179-L181 PolarHBondContact O-N 2.97Å; L181-N185 PolarHBondContact O-N 2.97Å; L181-N185 VanDerWaalsContact O-N 3.17Å; L181-L194 HydrophobicContact CD1-CD2 3.58Å; L181-I196 HydrophobicContact CD1-CD1 4.07Å; L181-L214 HydrophobicContact CB-CD2 4.36Å; L181-L214 HydrophobicContact CD1-CD1 4.22Å; L181-L214 HydrophobicContact CD1-CD2 3.87Å; L181-L214 HydrophobicContact CG-CD2 3.93Å; L181-Y217 HydrophobicContact CB-CD1 4.18Å; L181-Y217 HydrophobicContact CB-CE1 4.45Å; L181-L254 HydrophobicContact CB-CD1 3.91Å; L181-L254 HydrophobicContact CD2-CD1 4.4Å; L181-L254 HydrophobicContact CG-CD1 3.75Å
182Y98.5Very high98Very high44 Ų4423.2 Ų23.217%0.17314%0.135CC..Hα-helixtrans-64.3-45.7171-176.6-92.2000111.3S178 E179 N185 R186 C243 S244 E246 V248 L251S178-Y182 WeakPolarHBondContact O-CB 3.38Å; S178-Y182 PolarHBondContact O-N 3.07Å; E179-Y182 PolarHBondContact O-N 2.86Å; Y182-N185 WeakPolarHBondContact O-CB 3.46Å; Y182-N185 PolarHBondContact O-N 3.27Å; Y182-N185 VanDerWaalsContact O-N 3.16Å; Y182-R186 PolarHBondContact O-N 2.96Å; Y182-R186 VanDerWaalsContact O-N 3.09Å; Y182-C243 VanDerWaalsContact CD2-SG 3.52Å; Y182-C243 HydrophobicContact CE2-CB 4.45Å; Y182-C243 VanDerWaalsContact CE2-O 3.3Å; Y182-C243 WeakPolarHBondContact CE2-O 3.36Å; Y182-S244 WeakPolarHBondContact OH-CA 3.33Å; Y182-S244 PolarHBondContact OH-O 2.99Å; Y182-E246 PolarHBondContact OH-O 3.24Å; Y182-V248 HydrophobicContact CD1-CB 4.36Å; Y182-V248 HydrophobicContact CD2-CB 4.03Å; Y182-V248 HydrophobicContact CD2-CG2 4.13Å; Y182-V248 HydrophobicContact CE2-CB 4.33Å; Y182-V248 HydrophobicContact CG-CB 4.02Å; Y182-V248 HydrophobicContact CG-CG2 3.93Å; Y182-L251 HydrophobicContact CD2-CD1 3.64Å; Y182-L251 HydrophobicContact CE2-CD1 4.15Å
183E98.8Very high98Very high5 Ų523.4 Ų23.42%0.02314%0.136CC..Hα-helixtrans-63.7-41.6176.918063.9177.400112M153 T156 E179 F180 N185 R186 I187M153-E183 WeakPolarHBondContact O-CG 3.25Å; T156-E183 WeakPolarHBondContact CA-OE1 3.37Å; T156-E183 WeakPolarHBondContact CB-OE1 3.35Å; T156-E183 HydrophobicContact CG2-CG 4.01Å; T156-E183 PolarHBondContact N-OE1 3.04Å; T156-E183 PolarHBondContact OG1-OE1 2.85Å; E179-E183 VanDerWaalsContact O-CB 3.28Å; E179-E183 WeakPolarHBondContact O-CB 3.47Å; E179-E183 PolarHBondContact O-N 2.81Å; F180-E183 PolarHBondContact O-N 3.05Å; E183-N185 VanDerWaalsContact C-N 3.27Å; E183-N185 PolarHBondContact O-N 2.74Å; E183-R186 WeakPolarHBondContact O-CB 3.03Å; E183-R186 PolarHBondContact O-N 2.7Å; E183-R186 IonicContact OE1-CZ 2.85Å; E183-R186 IonicContact OE1-NE 3.55Å; E183-R186 PolarHBondContact OE1-NE 3.27Å; E183-R186 IonicContact OE1-NH2 2.84Å; E183-R186 PolarHBondContact OE1-NH2 3.22Å; E183-R186 IonicContact OE2-CZ 2.73Å; E183-R186 IonicContact OE2-NE 2.66Å; E183-R186 PolarHBondContact OE2-NE 3.46Å; E183-R186 IonicContact OE2-NH2 3.44Å; E183-I187 PolarHBondContact O-N 2.84Å
184A98.8Very high98.2Very high0 Ų022.5 Ų22.50%013%0.132CC..Hα-helixtrans-58.2-38.9173.200000112.1L119 A166 F168 F180 R186 L188 L194 F219L119-A184 HydrophobicContact CD1-CB 4.26Å; A166-A184 HydrophobicContact CB-CB 4.2Å; F168-A184 HydrophobicContact CE2-CB 3.71Å; F168-A184 HydrophobicContact CZ-CB 4.06Å; F180-A184 WeakPolarHBondContact O-CB 3.26Å; F180-A184 PolarHBondContact O-N 3.12Å; A184-R186 VanDerWaalsContact C-N 3.35Å; A184-L188 VanDerWaalsContact O-CB 3.27Å; A184-L188 WeakPolarHBondContact O-CB 3.3Å; A184-L188 WeakPolarHBondContact O-CD1 3.21Å; A184-L188 WeakPolarHBondContact O-CG 3.23Å; A184-L188 PolarHBondContact O-N 3.15Å; A184-L188 VanDerWaalsContact O-N 3.13Å; A184-L194 HydrophobicContact CB-CD1 4.12Å; A184-F219 HydrophobicContact CB-CZ 4.45Å
185N98.8Very high98.3Very high0 Ų022.2 Ų22.20%013%0.128CC..Hα-helixtrans-64.1-41.4173.7-175.7-84000111.3L181 Y182 E183 Y217 F219 K239 S241 S242 C243L181-N185 PolarHBondContact O-N 2.97Å; L181-N185 VanDerWaalsContact O-N 3.17Å; Y182-N185 WeakPolarHBondContact O-CB 3.46Å; Y182-N185 PolarHBondContact O-N 3.27Å; Y182-N185 VanDerWaalsContact O-N 3.16Å; E183-N185 VanDerWaalsContact C-N 3.27Å; E183-N185 PolarHBondContact O-N 2.74Å; N185-Y217 PolarHBondContact ND2-O 3.47Å; N185-F219 HydrophobicContact CB-CE2 3.85Å; N185-F219 HydrophobicContact CB-CZ 3.73Å; N185-K239 WeakPolarHBondContact O-CD 3.36Å; N185-K239 VanDerWaalsContact O-CE 3.29Å; N185-K239 WeakPolarHBondContact O-CE 3.41Å; N185-K239 PolarHBondContact O-NZ 3.5Å; N185-S241 PolarHBondContact ND2-O 3.18Å; N185-S242 WeakPolarHBondContact OD1-CA 3.34Å; N185-C243 VanDerWaalsContact CB-SG 3.58Å; N185-C243 VanDerWaalsContact CG-SG 3.52Å; N185-C243 PolarHBondContact OD1-N 3.37Å
186R98.6Very high98.4Very high36 Ų3618.8 Ų18.814%0.13611%0.107CC..Hα-helixtrans-60.6-47.9-179.7-172.1-173.870.578.5-3.7111.9T156 L158 N160 D161 Y182 E183 A184T156-R186 PolarHBondContact O-NH2 2.6Å; T156-R186 VanDerWaalsContact O-NH2 3.17Å; T156-R186 PolarHBondContact OG1-NH2 2.87Å; L158-R186 VanDerWaalsContact O-CZ 3.27Å; L158-R186 PolarHBondContact O-NH1 3.1Å; L158-R186 PolarHBondContact O-NH2 3.15Å; N160-R186 WeakPolarHBondContact CA-O 3.27Å; N160-R186 WeakPolarHBondContact OD1-CD 3.42Å; N160-R186 WeakPolarHBondContact OD1-CG 3.35Å; N160-R186 PolarHBondContact OD1-NH1 3.4Å; D161-R186 PolarHBondContact N-O 3.3Å; Y182-R186 PolarHBondContact O-N 2.96Å; Y182-R186 VanDerWaalsContact O-N 3.09Å; E183-R186 WeakPolarHBondContact O-CB 3.03Å; E183-R186 PolarHBondContact O-N 2.7Å; E183-R186 IonicContact OE1-CZ 2.85Å; E183-R186 IonicContact OE1-NE 3.55Å; E183-R186 PolarHBondContact OE1-NE 3.27Å; E183-R186 IonicContact OE1-NH2 2.84Å; E183-R186 PolarHBondContact OE1-NH2 3.22Å; E183-R186 IonicContact OE2-CZ 2.73Å; E183-R186 IonicContact OE2-NE 2.66Å; E183-R186 PolarHBondContact OE2-NE 3.46Å; E183-R186 IonicContact OE2-NH2 3.44Å; A184-R186 VanDerWaalsContact C-N 3.35Å
187I98.7Very high98.4Very high0 Ų018 Ų180%010%0.103CC..Hα-helixtrans-80.6-25.5-17466.9176.8000113.6A117 L119 T156 L158 D161 E162 V163 E183A117-I187 HydrophobicContact CB-CD1 3.75Å; L119-I187 HydrophobicContact CD1-CD1 4.3Å; L119-I187 HydrophobicContact CD2-CD1 4.32Å; T156-I187 WeakPolarHBondContact OG1-CG2 3.49Å; L158-I187 HydrophobicContact CB-CB 4.33Å; L158-I187 HydrophobicContact CB-CG2 3.82Å; L158-I187 HydrophobicContact CD1-CB 4.21Å; L158-I187 HydrophobicContact CD1-CD1 3.97Å; L158-I187 HydrophobicContact CD1-CG2 4.28Å; D161-I187 CarbonylContact C-O 3.24Å; E162-I187 PolarHBondContact N-O 3.21Å; V163-I187 HydrophobicContact CG2-CB 4.19Å; V163-I187 HydrophobicContact CG2-CD1 4.06Å; V163-I187 HydrophobicContact CG2-CG1 3.84Å; V163-I187 WeakPolarHBondContact CG2-O 3.32Å; V163-I187 PolarHBondContact N-O 3.22Å; E183-I187 PolarHBondContact O-N 2.84Å
188L98.8Very high98.4Very high0 Ų018 Ų180%010%0.103CC..EExtended strand (participates in β ladder)trans-70.4136.9179.1-85.7170.3000111.4V163 D164 A166 A184 L194 F219 K239V163-L188 HydrophobicContact CG2-CD2 4.29Å; V163-L188 CarbonylContact O-C 3.54Å; V163-L188 WeakPolarHBondContact O-CA 3.31Å; D164-L188 WeakPolarHBondContact O-CD2 3.3Å; A166-L188 HydrophobicContact CB-CD1 3.9Å; A166-L188 HydrophobicContact CB-CD2 4Å; A166-L188 HydrophobicContact CB-CG 3.8Å; A184-L188 VanDerWaalsContact O-CB 3.27Å; A184-L188 WeakPolarHBondContact O-CB 3.3Å; A184-L188 WeakPolarHBondContact O-CD1 3.21Å; A184-L188 WeakPolarHBondContact O-CG 3.23Å; A184-L188 PolarHBondContact O-N 3.15Å; A184-L188 VanDerWaalsContact O-N 3.13Å; L188-L194 HydrophobicContact CD1-CB 4.06Å; L188-F219 HydrophobicContact CD1-CE1 3.62Å; L188-F219 HydrophobicContact CD1-CZ 4.02Å; L188-K239 HydrophobicContact CB-CD 3.84Å; L188-K239 WeakPolarHBondContact O-CD 3.26Å; L188-K239 PolarHBondContact O-NZ 3.42Å
189K98.5Very high98.2Very high67 Ų6718.4 Ų18.429%0.29111%0.105SC..EExtended strand (participates in β ladder)trans-60.4157.3167.5-69.7168.4-163.2165.90111.6D161 E162 V163 D164 G191 G192D161-K189 HydrophobicContact CB-CG 4.4Å; D161-K189 WeakPolarHBondContact O-CG 3.38Å; E162-K189 WeakPolarHBondContact O-CE 3.3Å; V163-K189 PolarHBondContact O-N 3.01Å; D164-K189 VanDerWaalsContact CG-NZ 3.28Å; D164-K189 VanDerWaalsContact OD1-CD 3.28Å; D164-K189 WeakPolarHBondContact OD1-CD 3.23Å; D164-K189 IonicContact OD1-NZ 2.74Å; D164-K189 PolarHBondContact OD1-NZ 2.54Å; D164-K189 IonicContact OD2-NZ 3.45Å; D164-K189 PolarHBondContact OD2-NZ 3.09Å; K189-G191 PolarHBondContact O-N 3.21Å; K189-G192 WeakPolarHBondContact O-CA 3.41Å; K189-G192 PolarHBondContact O-N 3Å
190S98.1Very high98Very high104 Ų10417 Ų1773%0.72710%0.101SC*.EExtended strand (participates in β ladder)trans-55.7129.2167.8-171.30000110.3G192S190-G192 PolarHBondContact O-N 3.45Å
191G97.9Very high97.8Very high28 Ų2820.8 Ų20.829%0.28913%0.127SC..EExtended strand (participates in β ladder)trans77-1.5-173.100000114.9K189 R238 K239K189-G191 PolarHBondContact O-N 3.21Å; G191-R238 WeakPolarHBondContact O-CG 3.31Å; G191-R238 PolarHBondContact O-NH1 3.2Å; G191-K239 WeakPolarHBondContact CA-O 3.49Å; G191-K239 PolarHBondContact N-O 3.47Å
192G98.3Very high97.6Very high7 Ų721 Ų217%0.07213%0.128CC..EExtended strand (participates in β ladder)trans-64165.9174.300000113D164 K189 S190 R238 K239D164-G192 CarbonylContact O-C 3.55Å; D164-G192 VanDerWaalsContact O-CA 3.32Å; D164-G192 WeakPolarHBondContact O-CA 3.3Å; K189-G192 WeakPolarHBondContact O-CA 3.41Å; K189-G192 PolarHBondContact O-N 3Å; S190-G192 PolarHBondContact O-N 3.45Å; G192-R238 WeakPolarHBondContact O-CA 3.46Å; G192-K239 PolarHBondContact O-N 2.89Å
193I98.7Very high97.4Very high5 Ų519.5 Ų19.53%0.02612%0.122CC..EExtended strand (participates in β ladder)trans-114.7126-167.8-62.5-55.3000111.8D164 F165 A166 I195 L236 L237 R238D164-I193 PolarHBondContact O-N 3.43Å; F165-I193 CarbonylContact C-O 3.53Å; F165-I193 VanDerWaalsContact CA-O 3.3Å; F165-I193 WeakPolarHBondContact CA-O 3.36Å; F165-I193 HydrophobicContact CD1-CB 3.6Å; F165-I193 HydrophobicContact CD1-CG1 4.33Å; F165-I193 HydrophobicContact CD1-CG2 3.9Å; F165-I193 HydrophobicContact CE1-CB 3.75Å; F165-I193 HydrophobicContact CE1-CG1 3.97Å; F165-I193 HydrophobicContact CE1-CG2 4.07Å; A166-I193 PolarHBondContact N-O 2.87Å; I193-I195 HydrophobicContact CG2-CD1 4.47Å; I193-I195 HydrophobicContact CG2-CG1 3.9Å; I193-L236 HydrophobicContact CG2-CD1 3.27Å; I193-L236 HydrophobicContact CG2-CG 3.92Å; I193-L237 WeakPolarHBondContact CA-O 3.48Å; I193-R238 HydrophobicContact CD1-CB 4.11Å; I193-R238 HydrophobicContact CD1-CG 4.09Å; I193-R238 VanDerWaalsContact CD1-NH1 3.34Å
194L98.9Very high97.1Very high0 Ų023.8 Ų23.80%015%0.145CC..EExtended strand (participates in β ladder)trans-95.7125.3168.9175.564.6000109.8A166 F168 L181 A184 L188 I196 F219 L237A166-L194 HydrophobicContact CB-CD1 4.27Å; A166-L194 WeakPolarHBondContact O-CA 3.33Å; F168-L194 HydrophobicContact CD2-CD1 3.75Å; F168-L194 HydrophobicContact CE2-CD1 3.83Å; L181-L194 HydrophobicContact CD1-CD2 3.58Å; A184-L194 HydrophobicContact CB-CD1 4.12Å; L188-L194 HydrophobicContact CD1-CB 4.06Å; L194-I196 HydrophobicContact CD1-CG1 4.37Å; L194-I196 HydrophobicContact CD2-CD1 4.1Å; L194-I196 HydrophobicContact CD2-CG1 4.43Å; L194-I196 HydrophobicContact CG-CD1 4.34Å; L194-I196 HydrophobicContact CG-CG1 4.13Å; L194-F219 HydrophobicContact CB-CD1 4Å; L194-F219 HydrophobicContact CB-CE1 3.75Å; L194-F219 HydrophobicContact CB-CZ 4.3Å; L194-F219 HydrophobicContact CD2-CD1 3.95Å; L194-F219 HydrophobicContact CD2-CD2 3.85Å; L194-F219 HydrophobicContact CD2-CE1 3.86Å; L194-F219 HydrophobicContact CD2-CE2 3.76Å; L194-F219 HydrophobicContact CD2-CG 3.94Å; L194-F219 HydrophobicContact CD2-CZ 3.75Å; L194-F219 HydrophobicContact CG-CE1 4.4Å; L194-L237 HydrophobicContact CB-CB 4.34Å; L194-L237 HydrophobicContact CD2-CD1 4.24Å; L194-L237 HydrophobicContact CG-CD1 4.4Å; L194-L237 PolarHBondContact N-O 3.3Å; L194-L237 PolarHBondContact O-N 3.01Å
195I98.9Very high96.7Very high0 Ų027.4 Ų27.40%018%0.183CC..EExtended strand (participates in β ladder)trans-112.9125.6177.4-55.5179.1000108.7W98 V99 I103 F165 A166 V167 F168 I193 L236W98-I195 HydrophobicContact CE3-CG2 4.43Å; W98-I195 HydrophobicContact CH2-CG2 4.49Å; W98-I195 HydrophobicContact CZ3-CG2 3.67Å; V99-I195 HydrophobicContact CG1-CD1 4.38Å; V99-I195 HydrophobicContact CG1-CG2 4.36Å; V99-I195 HydrophobicContact CG2-CG2 4.13Å; I103-I195 HydrophobicContact CD1-CD1 4.17Å; I103-I195 HydrophobicContact CG1-CD1 3.42Å; I103-I195 VanDerWaalsContact CG1-CD1 3.42Å; F165-I195 HydrophobicContact CD1-CD1 4.18Å; A166-I195 PolarHBondContact O-N 3.46Å; V167-I195 HydrophobicContact CG2-CB 4.3Å; V167-I195 HydrophobicContact CG2-CD1 4.28Å; F168-I195 PolarHBondContact N-O 3.37Å; I193-I195 HydrophobicContact CG2-CD1 4.47Å; I193-I195 HydrophobicContact CG2-CG1 3.9Å; I195-L236 HydrophobicContact CD1-CD1 4.36Å; I195-L236 HydrophobicContact CG1-CD1 3.73Å
196I98.8Very high96.5Very high0 Ų033.3 Ų33.30%021%0.209CC..EExtended strand (participates in β ladder)trans-123.5125.9176.8-58.4174.5000109F168 L172 L181 L194 F210 L214 R234 A235 L237F168-I196 WeakPolarHBondContact O-CA 3.37Å; L172-I196 HydrophobicContact CD1-CG2 3.87Å; L181-I196 HydrophobicContact CD1-CD1 4.07Å; L194-I196 HydrophobicContact CD1-CG1 4.37Å; L194-I196 HydrophobicContact CD2-CD1 4.1Å; L194-I196 HydrophobicContact CD2-CG1 4.43Å; L194-I196 HydrophobicContact CG-CD1 4.34Å; L194-I196 HydrophobicContact CG-CG1 4.13Å; I196-F210 HydrophobicContact CD1-CE1 3.97Å; I196-F210 HydrophobicContact CD1-CZ 4.27Å; I196-L214 HydrophobicContact CD1-CD1 3.86Å; I196-R234 CarbonylContact O-C 3.58Å; I196-R234 WeakPolarHBondContact O-CA 3.42Å; I196-A235 PolarHBondContact N-O 3.09Å; I196-A235 PolarHBondContact O-N 2.82Å; I196-L237 HydrophobicContact CD1-CD1 4.09Å
197V98.1Very high96.5Very high1 Ų131.8 Ų31.81%0.00620%0.203CC..EExtended strand (participates in β ladder)trans-127.5124.5166-1750000108P95 W98 V99 F168 L170 F232 V233 R234P95-V197 HydrophobicContact CB-CG1 3.84Å; W98-V197 HydrophobicContact CE3-CG2 3.41Å; W98-V197 VanDerWaalsContact CE3-CG2 3.41Å; W98-V197 HydrophobicContact CZ3-CG2 3.58Å; V99-V197 HydrophobicContact CG2-CG2 3.75Å; F168-V197 PolarHBondContact O-N 2.84Å; L170-V197 PolarHBondContact N-O 2.95Å; V197-F232 HydrophobicContact CG1-CB 4.24Å; V197-F232 HydrophobicContact CG1-CG 4.25Å; V197-V233 WeakPolarHBondContact CA-O 3.5Å; V197-R234 HydrophobicContact CG1-CG 4.24Å; V197-R234 HydrophobicContact CG2-CG 4.34Å
198D96.3Very high96.4Very high1 Ų135.8 Ų35.81%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-153.1168.8-178.9-153.4-26.2000111.1R202 F203 F232 V233D198-R202 VanDerWaalsContact OD1-CD 3.3Å; D198-R202 WeakPolarHBondContact OD1-CD 3.23Å; D198-R202 IonicContact OD1-NH1 2.79Å; D198-R202 PolarHBondContact OD1-NH1 3.26Å; D198-R202 IonicContact OD2-CZ 2.94Å; D198-R202 IonicContact OD2-NH1 3.19Å; D198-R202 PolarHBondContact OD2-NH1 3.45Å; D198-F203 HydrophobicContact CB-CE2 3.82Å; D198-F203 HydrophobicContact CB-CZ 4.04Å; D198-F232 CarbonylContact O-C 3.59Å; D198-F232 WeakPolarHBondContact O-CA 3.3Å; D198-V233 HydrophobicContact CB-CG2 4.24Å; D198-V233 PolarHBondContact N-O 2.83Å; D198-V233 WeakPolarHBondContact O-CG2 3.48Å; D198-V233 PolarHBondContact O-N 3.33Å
199V94.1Very high96.3Very high26 Ų2639.3 Ų39.316%0.15824%0.243CC..EExtended strand (participates in β ladder)trans-74.8130-177.1-174.40000110.6L170 S201 R202 F203 F232L170-V199 HydrophobicContact CD2-CG2 4.24Å; V199-S201 VanDerWaalsContact C-N 3.27Å; V199-S201 WeakPolarHBondContact CG1-OG 3.32Å; V199-S201 PolarHBondContact O-N 3.39Å; V199-R202 HydrophobicContact CB-CG 4.24Å; V199-R202 WeakPolarHBondContact O-CB 3.48Å; V199-R202 PolarHBondContact O-N 3.45Å; V199-F203 WeakPolarHBondContact O-CD2 3.42Å; V199-F232 HydrophobicContact CG2-CD1 4.41Å; V199-F232 HydrophobicContact CG2-CE1 4.25Å
200T94.1Very high96.3Very high33 Ų3336.7 Ų36.720%0.20223%0.232CC..G310 helixtrans-55.4-38.9-176.2-59.40000113.4R202 F203 I226 Y231 F232 V233T200-R202 PolarHBondContact O-N 2.91Å; T200-R202 VanDerWaalsContact O-N 3.12Å; T200-F203 PolarHBondContact O-N 3.24Å; T200-I226 HydrophobicContact CG2-CG2 3.62Å; T200-Y231 WeakPolarHBondContact CB-O 3.42Å; T200-Y231 PolarHBondContact N-O 2.95Å; T200-Y231 PolarHBondContact OG1-O 3.31Å; T200-F232 PolarHBondContact OG1-N 2.67Å; T200-F232 PolarHBondContact OG1-O 3.24Å; T200-V233 HydrophobicContact CG2-CG1 4.23Å; T200-V233 PolarHBondContact OG1-N 2.69Å
201S93.1Very high96.3Very high80 Ų8032.1 Ų32.156%0.55920%0.199SC*.G310 helixtrans-62-21.1-178.561.70000113.4V199 F203V199-S201 VanDerWaalsContact C-N 3.27Å; V199-S201 WeakPolarHBondContact CG1-OG 3.32Å; V199-S201 PolarHBondContact O-N 3.39Å; S201-F203 VanDerWaalsContact C-N 3.26Å; S201-F203 PolarHBondContact O-N 2.85Å
202R94.9Very high96.3Very high4 Ų436.8 Ų36.82%0.01521%0.211CC..G310 helixtrans-70.6-22.4176.8-62.9-166.166-150.6-0.8113.6Y59 L172 M173 D198 V199 T200 L256 K257Y59-R202 VanDerWaalsContact CD1-CZ 3.48Å; Y59-R202 VanDerWaalsContact CE1-NE 3.27Å; L172-R202 VanDerWaalsContact C-NH1 3.29Å; L172-R202 PolarHBondContact O-NH1 2.88Å; L172-R202 PolarHBondContact O-NH2 3.04Å; M173-R202 PolarHBondContact O-NH2 3.11Å; D198-R202 VanDerWaalsContact OD1-CD 3.3Å; D198-R202 WeakPolarHBondContact OD1-CD 3.23Å; D198-R202 IonicContact OD1-NH1 2.79Å; D198-R202 PolarHBondContact OD1-NH1 3.26Å; D198-R202 IonicContact OD2-CZ 2.94Å; D198-R202 IonicContact OD2-NH1 3.19Å; D198-R202 PolarHBondContact OD2-NH1 3.45Å; V199-R202 HydrophobicContact CB-CG 4.24Å; V199-R202 WeakPolarHBondContact O-CB 3.48Å; V199-R202 PolarHBondContact O-N 3.45Å; T200-R202 PolarHBondContact O-N 2.91Å; T200-R202 VanDerWaalsContact O-N 3.12Å; R202-L256 VanDerWaalsContact NH2-CB 3.34Å; R202-K257 WeakPolarHBondContact CG-O 3.39Å; R202-K257 PolarHBondContact NE-O 3.07Å; R202-K257 VanDerWaalsContact NE-O 3.1Å; R202-K257 PolarHBondContact O-N 3.31Å
203F95.4Very high96.3Very high12 Ų1240.3 Ų40.35%0.05323%0.225CC..G310 helixtrans-96.1-8.7-176.3-62-91.5000113.1D198 V199 T200 S201 G205 K206 F207 F210 V233 L256D198-F203 HydrophobicContact CB-CE2 3.82Å; D198-F203 HydrophobicContact CB-CZ 4.04Å; V199-F203 WeakPolarHBondContact O-CD2 3.42Å; T200-F203 PolarHBondContact O-N 3.24Å; S201-F203 VanDerWaalsContact C-N 3.26Å; S201-F203 PolarHBondContact O-N 2.85Å; F203-G205 VanDerWaalsContact C-N 3.26Å; F203-G205 PolarHBondContact O-N 3.31Å; F203-K206 WeakPolarHBondContact O-CA 3.24Å; F203-K206 WeakPolarHBondContact O-CB 3.38Å; F203-K206 PolarHBondContact O-N 3.13Å; F203-F207 HydrophobicContact CB-CB 4Å; F203-F207 HydrophobicContact CD1-CB 4.27Å; F203-F207 AromaticContact CD1-CD2 3.51Å; F203-F207 HydrophobicContact CD1-CD2 3.51Å; F203-F207 HydrophobicContact CD1-CE2 4.33Å; F203-F207 HydrophobicContact CD1-CG 4.35Å; F203-F207 HydrophobicContact CD2-CD2 4.4Å; F203-F207 AromaticContact CE1-CD2 3.6Å; F203-F207 HydrophobicContact CE1-CD2 3.6Å; F203-F207 AromaticContact CE1-CE2 3.95Å; F203-F207 HydrophobicContact CE1-CE2 3.95Å; F203-F207 HydrophobicContact CG-CB 4.14Å; F203-F207 AromaticContact CG-CD2 3.93Å; F203-F207 HydrophobicContact CG-CD2 3.93Å; F203-F207 HydrophobicContact CG-CG 4.43Å; F203-F207 HydrophobicContact CZ-CD2 4.13Å; F203-F207 HydrophobicContact CZ-CE2 4.2Å; F203-F210 HydrophobicContact CD1-CB 4.03Å; F203-F210 HydrophobicContact CD1-CD1 4.28Å; F203-F210 HydrophobicContact CD1-CG 4.04Å; F203-F210 HydrophobicContact CE1-CB 4.26Å; F203-F210 AromaticContact CE1-CD1 3.7Å; F203-F210 HydrophobicContact CE1-CD1 3.7Å; F203-F210 HydrophobicContact CE1-CD2 4.07Å; F203-F210 AromaticContact CE1-CE1 3.99Å; F203-F210 HydrophobicContact CE1-CE1 3.99Å; F203-F210 HydrophobicContact CE1-CE2 4.33Å; F203-F210 AromaticContact CE1-CG 3.74Å; F203-F210 HydrophobicContact CE1-CG 3.74Å; F203-F210 HydrophobicContact CE1-CZ 4.31Å; F203-V233 HydrophobicContact CD2-CB 4.5Å; F203-V233 HydrophobicContact CD2-CG1 4.05Å; F203-V233 HydrophobicContact CD2-CG2 3.63Å; F203-V233 HydrophobicContact CE1-CG2 4.5Å; F203-V233 HydrophobicContact CE2-CB 4.46Å; F203-V233 HydrophobicContact CE2-CG1 4.49Å; F203-V233 HydrophobicContact CE2-CG2 3.22Å; F203-V233 HydrophobicContact CG-CG2 4.46Å; F203-V233 HydrophobicContact CZ-CG2 3.69Å; F203-L256 HydrophobicContact CD1-CD2 3.64Å; F203-L256 HydrophobicContact CE1-CD1 4.44Å; F203-L256 HydrophobicContact CE1-CD2 3.45Å; F203-L256 VanDerWaalsContact CE1-CD2 3.45Å; F203-L256 HydrophobicContact CG-CD2 4.41Å; F203-L256 HydrophobicContact CZ-CD1 4.3Å; F203-L256 HydrophobicContact CZ-CD2 4.03Å
204D90.6Very high96.3Very high95 Ų9540.1 Ų40.151%0.50822%0.224SC..THydrogen-bonded Turntrans51.843.1174.1-163.624.6000113K206 K257D204-K206 PolarHBondContact O-N 2.87Å; D204-K257 HydrophobicContact CB-CG 4.17Å
205G91.3Very high96.3Very high77 Ų7747 Ų4779%0.79425%0.254SS*.THydrogen-bonded Turntrans72.20.6-175.600000115.5F203F203-G205 VanDerWaalsContact C-N 3.26Å; F203-G205 PolarHBondContact O-N 3.31Å
206K95.4Very high96.2Very high124 Ų12453.1 Ų53.154%0.53928%0.277SS..  trans-108.329.9-173.3-62.7175.2-177174.60113.5F203 D204 N208 D209 F210F203-K206 WeakPolarHBondContact O-CA 3.24Å; F203-K206 WeakPolarHBondContact O-CB 3.38Å; F203-K206 PolarHBondContact O-N 3.13Å; D204-K206 PolarHBondContact O-N 2.87Å; K206-N208 VanDerWaalsContact C-N 3.33Å; K206-N208 PolarHBondContact O-N 2.7Å; K206-D209 HydrophobicContact CB-CB 4.35Å; K206-D209 PolarHBondContact O-N 3.1Å; K206-D209 VanDerWaalsContact O-N 3.15Å; K206-F210 PolarHBondContact O-N 3.37Å
207F97.1Very high96.2Very high4 Ų453.1 Ų53.12%0.01828%0.277CS..Hα-helixtrans-60.6-42.2178.9-177.7-133.7000112.2F203 D209 F210 L211 I226 V233 A235F203-F207 HydrophobicContact CB-CB 4Å; F203-F207 HydrophobicContact CD1-CB 4.27Å; F203-F207 AromaticContact CD1-CD2 3.51Å; F203-F207 HydrophobicContact CD1-CD2 3.51Å; F203-F207 HydrophobicContact CD1-CE2 4.33Å; F203-F207 HydrophobicContact CD1-CG 4.35Å; F203-F207 HydrophobicContact CD2-CD2 4.4Å; F203-F207 AromaticContact CE1-CD2 3.6Å; F203-F207 HydrophobicContact CE1-CD2 3.6Å; F203-F207 AromaticContact CE1-CE2 3.95Å; F203-F207 HydrophobicContact CE1-CE2 3.95Å; F203-F207 HydrophobicContact CG-CB 4.14Å; F203-F207 AromaticContact CG-CD2 3.93Å; F203-F207 HydrophobicContact CG-CD2 3.93Å; F203-F207 HydrophobicContact CG-CG 4.43Å; F203-F207 HydrophobicContact CZ-CD2 4.13Å; F203-F207 HydrophobicContact CZ-CE2 4.2Å; F207-D209 VanDerWaalsContact C-N 3.28Å; F207-D209 PolarHBondContact O-N 2.89Å; F207-F210 HydrophobicContact CD2-CD1 4.08Å; F207-F210 HydrophobicContact CE2-CD1 4.03Å; F207-F210 HydrophobicContact CE2-CE1 4.4Å; F207-F210 WeakPolarHBondContact O-CB 3.42Å; F207-F210 PolarHBondContact O-N 3.44Å; F207-L211 HydrophobicContact CD1-CD1 4.12Å; F207-L211 HydrophobicContact CD2-CG 4.28Å; F207-L211 HydrophobicContact CE1-CD1 3.77Å; F207-L211 HydrophobicContact CE1-CG 4.42Å; F207-L211 HydrophobicContact CE2-CD1 4.25Å; F207-L211 HydrophobicContact CE2-CD2 3.91Å; F207-L211 HydrophobicContact CE2-CG 4.01Å; F207-L211 HydrophobicContact CZ-CD1 3.87Å; F207-L211 HydrophobicContact CZ-CD2 3.98Å; F207-L211 HydrophobicContact CZ-CG 4.11Å; F207-L211 WeakPolarHBondContact O-CG 3.21Å; F207-L211 PolarHBondContact O-N 3.49Å; F207-I226 HydrophobicContact CB-CD1 4.42Å; F207-I226 HydrophobicContact CD1-CG1 4.18Å; F207-V233 HydrophobicContact CB-CG1 4.09Å; F207-V233 HydrophobicContact CD1-CB 3.75Å; F207-V233 HydrophobicContact CD1-CG1 3.79Å; F207-V233 HydrophobicContact CD1-CG2 4.49Å; F207-V233 HydrophobicContact CD2-CB 4.02Å; F207-V233 HydrophobicContact CD2-CG1 4.16Å; F207-V233 HydrophobicContact CD2-CG2 3.87Å; F207-V233 HydrophobicContact CE1-CB 3.6Å; F207-V233 HydrophobicContact CE1-CG1 4.18Å; F207-V233 HydrophobicContact CE1-CG2 4.25Å; F207-V233 HydrophobicContact CE2-CB 3.88Å; F207-V233 HydrophobicContact CE2-CG2 3.59Å; F207-V233 HydrophobicContact CG-CB 3.95Å; F207-V233 HydrophobicContact CG-CG1 3.76Å; F207-V233 HydrophobicContact CG-CG2 4.31Å; F207-V233 HydrophobicContact CZ-CB 3.64Å; F207-V233 HydrophobicContact CZ-CG2 3.77Å; F207-A235 HydrophobicContact CE1-CB 4.34Å; F207-A235 HydrophobicContact CZ-CB 3.67Å
208N97.1Very high96.2Very high84 Ų8453.1 Ų53.145%0.44928%0.277SS..Hα-helixtrans-62.8-34.2176.4-79.2-46.2000112.9K206 L211 K212K206-N208 VanDerWaalsContact C-N 3.33Å; K206-N208 PolarHBondContact O-N 2.7Å; N208-L211 PolarHBondContact O-N 3.03Å; N208-K212 VanDerWaalsContact O-CG 3.31Å; N208-K212 WeakPolarHBondContact O-CG 3.4Å; N208-K212 PolarHBondContact O-N 2.95Å
209D97.5Very high96.4Very high73 Ų7353.1 Ų53.139%0.3928%0.277SS..Hα-helixtrans-73.3-35.3176.8-65.4-24.8000111.8K206 F207 K212 K213K206-D209 HydrophobicContact CB-CB 4.35Å; K206-D209 PolarHBondContact O-N 3.1Å; K206-D209 VanDerWaalsContact O-N 3.15Å; F207-D209 VanDerWaalsContact C-N 3.28Å; F207-D209 PolarHBondContact O-N 2.89Å; D209-K212 PolarHBondContact O-N 3.37Å; D209-K212 IonicContact OD1-NZ 3.99Å; D209-K212 PolarHBondContact OD1-NZ 3.01Å; D209-K213 WeakPolarHBondContact O-CG 3.27Å; D209-K213 PolarHBondContact O-N 2.8Å; D209-K213 VanDerWaalsContact O-N 3.11Å
210F98.2Very high96.6Very high13 Ų1353.6 Ų53.66%0.05728%0.283CS..Hα-helixtrans-56.6-50.1167.6169.1-92.2000111L172 I196 F203 K206 F207 K212 K213 L214 L254 L256L172-F210 HydrophobicContact CD1-CZ 4.25Å; I196-F210 HydrophobicContact CD1-CE1 3.97Å; I196-F210 HydrophobicContact CD1-CZ 4.27Å; F203-F210 HydrophobicContact CD1-CB 4.03Å; F203-F210 HydrophobicContact CD1-CD1 4.28Å; F203-F210 HydrophobicContact CD1-CG 4.04Å; F203-F210 HydrophobicContact CE1-CB 4.26Å; F203-F210 AromaticContact CE1-CD1 3.7Å; F203-F210 HydrophobicContact CE1-CD1 3.7Å; F203-F210 HydrophobicContact CE1-CD2 4.07Å; F203-F210 AromaticContact CE1-CE1 3.99Å; F203-F210 HydrophobicContact CE1-CE1 3.99Å; F203-F210 HydrophobicContact CE1-CE2 4.33Å; F203-F210 AromaticContact CE1-CG 3.74Å; F203-F210 HydrophobicContact CE1-CG 3.74Å; F203-F210 HydrophobicContact CE1-CZ 4.31Å; K206-F210 PolarHBondContact O-N 3.37Å; F207-F210 HydrophobicContact CD2-CD1 4.08Å; F207-F210 HydrophobicContact CE2-CD1 4.03Å; F207-F210 HydrophobicContact CE2-CE1 4.4Å; F207-F210 WeakPolarHBondContact O-CB 3.42Å; F207-F210 PolarHBondContact O-N 3.44Å; F210-K212 VanDerWaalsContact C-N 3.33Å; F210-K212 PolarHBondContact O-N 3.38Å; F210-K213 WeakPolarHBondContact O-CB 3.42Å; F210-K213 PolarHBondContact O-N 3.03Å; F210-K213 VanDerWaalsContact O-N 3.11Å; F210-L214 HydrophobicContact CD1-CD1 4.35Å; F210-L214 HydrophobicContact CE1-CD1 3.7Å; F210-L214 HydrophobicContact CE1-CG 4.23Å; F210-L214 HydrophobicContact CZ-CD1 4.1Å; F210-L214 HydrophobicContact CZ-CD2 4.24Å; F210-L214 HydrophobicContact CZ-CG 4.41Å; F210-L214 PolarHBondContact O-N 3.06Å; F210-L254 HydrophobicContact CD2-CB 4.45Å; F210-L254 HydrophobicContact CD2-CD2 4.06Å; F210-L254 HydrophobicContact CE2-CB 4.1Å; F210-L254 HydrophobicContact CE2-CD1 3.94Å; F210-L254 HydrophobicContact CE2-CD2 4.08Å; F210-L254 HydrophobicContact CE2-CG 4.26Å; F210-L254 HydrophobicContact CZ-CD1 4.49Å; F210-L256 HydrophobicContact CD2-CD2 3.94Å; F210-L256 HydrophobicContact CE2-CD2 4.14Å
211L98.4Very high96.8Very high7 Ų756.8 Ų56.84%0.03730%0.295CS..Hα-helixtrans-63.6-34.8178.1-62.5176.8000112.9F207 N208 K213 L214 K221 A235 L237F207-L211 HydrophobicContact CD1-CD1 4.12Å; F207-L211 HydrophobicContact CD2-CG 4.28Å; F207-L211 HydrophobicContact CE1-CD1 3.77Å; F207-L211 HydrophobicContact CE1-CG 4.42Å; F207-L211 HydrophobicContact CE2-CD1 4.25Å; F207-L211 HydrophobicContact CE2-CD2 3.91Å; F207-L211 HydrophobicContact CE2-CG 4.01Å; F207-L211 HydrophobicContact CZ-CD1 3.87Å; F207-L211 HydrophobicContact CZ-CD2 3.98Å; F207-L211 HydrophobicContact CZ-CG 4.11Å; F207-L211 WeakPolarHBondContact O-CG 3.21Å; F207-L211 PolarHBondContact O-N 3.49Å; N208-L211 PolarHBondContact O-N 3.03Å; L211-K213 VanDerWaalsContact C-N 3.32Å; L211-K213 PolarHBondContact O-N 3.02Å; L211-L214 HydrophobicContact CD2-CD1 4.15Å; L211-L214 PolarHBondContact O-N 3.26Å; L211-K221 HydrophobicContact CB-CD 4.38Å; L211-K221 HydrophobicContact CD1-CD 3.61Å; L211-K221 HydrophobicContact CD1-CG 4.29Å; L211-A235 HydrophobicContact CD1-CB 4.29Å; L211-A235 HydrophobicContact CD2-CB 3.75Å; L211-L237 HydrophobicContact CD2-CD1 4.19Å; L211-L237 HydrophobicContact CD2-CD2 4.19Å
212K98.1Very high97Very high127 Ų12756.8 Ų56.855%0.55229%0.286SS*.Hα-helixtrans-62.1-39.3173.4-74.1171.1-163.7160.70111.7N208 D209 F210 L214 K215N208-K212 VanDerWaalsContact O-CG 3.31Å; N208-K212 WeakPolarHBondContact O-CG 3.4Å; N208-K212 PolarHBondContact O-N 2.95Å; D209-K212 PolarHBondContact O-N 3.37Å; D209-K212 IonicContact OD1-NZ 3.99Å; D209-K212 PolarHBondContact OD1-NZ 3.01Å; F210-K212 VanDerWaalsContact C-N 3.33Å; F210-K212 PolarHBondContact O-N 3.38Å; K212-L214 VanDerWaalsContact C-N 3.29Å; K212-L214 PolarHBondContact O-N 3.42Å; K212-K215 WeakPolarHBondContact O-CB 3.24Å; K212-K215 WeakPolarHBondContact O-CG 3.43Å; K212-K215 PolarHBondContact O-N 3.38Å
213K98.3Very high97.1Very high81 Ų8160.1 Ų60.135%0.35230%0.3SS..Hα-helixtrans-64.3-34.3176.4-70.2174.6177.2-175.90112D209 F210 L211 K215 R216 P252 K253 L254D209-K213 WeakPolarHBondContact O-CG 3.27Å; D209-K213 PolarHBondContact O-N 2.8Å; D209-K213 VanDerWaalsContact O-N 3.11Å; F210-K213 WeakPolarHBondContact O-CB 3.42Å; F210-K213 PolarHBondContact O-N 3.03Å; F210-K213 VanDerWaalsContact O-N 3.11Å; L211-K213 VanDerWaalsContact C-N 3.32Å; L211-K213 PolarHBondContact O-N 3.02Å; K213-K215 PolarHBondContact O-N 2.9Å; K213-K215 VanDerWaalsContact O-N 3.08Å; K213-R216 WeakPolarHBondContact O-CB 3.35Å; K213-R216 PolarHBondContact O-N 3.17Å; K213-P252 HydrophobicContact CB-CB 4.23Å; K213-P252 HydrophobicContact CD-CB 4.17Å; K213-P252 HydrophobicContact CG-CB 4.03Å; K213-K253 PolarHBondContact NZ-O 3.16Å; K213-L254 HydrophobicContact CB-CD2 3.81Å; K213-L254 HydrophobicContact CD-CD2 4.01Å
214L98.5Very high97.3Very high0 Ų061.1 Ų61.10%031%0.309CS..Hα-helixtrans-61.4-17.1178.6-63.2-171.8000113.9L181 I196 F210 L211 K212 R216 Y217 G218 F219 L237 L254L181-L214 HydrophobicContact CB-CD2 4.36Å; L181-L214 HydrophobicContact CD1-CD1 4.22Å; L181-L214 HydrophobicContact CD1-CD2 3.87Å; L181-L214 HydrophobicContact CG-CD2 3.93Å; I196-L214 HydrophobicContact CD1-CD1 3.86Å; F210-L214 HydrophobicContact CD1-CD1 4.35Å; F210-L214 HydrophobicContact CE1-CD1 3.7Å; F210-L214 HydrophobicContact CE1-CG 4.23Å; F210-L214 HydrophobicContact CZ-CD1 4.1Å; F210-L214 HydrophobicContact CZ-CD2 4.24Å; F210-L214 HydrophobicContact CZ-CG 4.41Å; F210-L214 PolarHBondContact O-N 3.06Å; L211-L214 HydrophobicContact CD2-CD1 4.15Å; L211-L214 PolarHBondContact O-N 3.26Å; K212-L214 VanDerWaalsContact C-N 3.29Å; K212-L214 PolarHBondContact O-N 3.42Å; L214-R216 PolarHBondContact O-N 2.59Å; L214-Y217 HydrophobicContact CD2-CD2 4.21Å; L214-Y217 HydrophobicContact CD2-CG 4.49Å; L214-Y217 CarbonylContact O-C 3.5Å; L214-Y217 WeakPolarHBondContact O-CA 3.37Å; L214-Y217 WeakPolarHBondContact O-CB 3.42Å; L214-Y217 PolarHBondContact O-N 3.2Å; L214-G218 PolarHBondContact O-N 2.92Å; L214-F219 HydrophobicContact CB-CB 4.21Å; L214-F219 PolarHBondContact O-N 2.86Å; L214-F219 VanDerWaalsContact O-N 3.08Å; L214-L237 HydrophobicContact CB-CD2 4.02Å; L214-L237 HydrophobicContact CD1-CD1 4.23Å; L214-L237 HydrophobicContact CD1-CD2 3.71Å; L214-L254 HydrophobicContact CD2-CD1 3.66Å; L214-L254 HydrophobicContact CD2-CD2 4.17Å
215K98.1Very high97.5Very high146 Ų14660.4 Ų60.464%0.63530%0.303SS*.G310 helixtrans-57.5-37168.6-64.9-175.5176.8-171.70112.8K212 K213 Y217 G218 F219K212-K215 WeakPolarHBondContact O-CB 3.24Å; K212-K215 WeakPolarHBondContact O-CG 3.43Å; K212-K215 PolarHBondContact O-N 3.38Å; K213-K215 PolarHBondContact O-N 2.9Å; K213-K215 VanDerWaalsContact O-N 3.08Å; K215-Y217 PolarHBondContact O-N 3.22Å; K215-G218 PolarHBondContact O-N 3.37Å; K215-G218 VanDerWaalsContact O-N 3.1Å; K215-F219 VanDerWaalsContact CA-O 3.3Å; K215-F219 WeakPolarHBondContact CA-O 3.37Å; K215-F219 PolarHBondContact N-O 2.93Å
216R97.9Very high97.7Very high127 Ų12761 Ų6148%0.47929%0.287SS..G310 helixtrans-70.3-19.6175.5-70.7-61.9-53.6-117.1-0.3112.9K213 L214 G218 E246 L251 P252K213-R216 WeakPolarHBondContact O-CB 3.35Å; K213-R216 PolarHBondContact O-N 3.17Å; L214-R216 PolarHBondContact O-N 2.59Å; R216-G218 VanDerWaalsContact C-N 3.25Å; R216-E246 IonicContact CZ-OE2 3.05Å; R216-E246 IonicContact NH2-OE1 3.94Å; R216-E246 IonicContact NH2-OE2 2.74Å; R216-E246 PolarHBondContact NH2-OE2 2.79Å; R216-L251 HydrophobicContact CB-CD2 4.33Å; R216-L251 WeakPolarHBondContact O-CD2 3.41Å; R216-P252 HydrophobicContact CB-CG 3.88Å; R216-P252 HydrophobicContact CG-CG 3.75Å
217Y98.4Very high97.5Very high0 Ų055.5 Ų55.50%026%0.263CS..G310 helixtrans-9115.2172.3-65.5-101.8000111.6S178 L181 N185 L214 K215 F219 L251 P252 L254S178-Y217 VanDerWaalsContact CB-OH 3.22Å; S178-Y217 WeakPolarHBondContact CB-OH 3.27Å; S178-Y217 VanDerWaalsContact O-CE1 3.32Å; S178-Y217 WeakPolarHBondContact O-CE1 3.47Å; S178-Y217 PolarHBondContact OG-OH 3.36Å; L181-Y217 HydrophobicContact CB-CD1 4.18Å; L181-Y217 HydrophobicContact CB-CE1 4.45Å; N185-Y217 PolarHBondContact ND2-O 3.47Å; L214-Y217 HydrophobicContact CD2-CD2 4.21Å; L214-Y217 HydrophobicContact CD2-CG 4.49Å; L214-Y217 CarbonylContact O-C 3.5Å; L214-Y217 WeakPolarHBondContact O-CA 3.37Å; L214-Y217 WeakPolarHBondContact O-CB 3.42Å; L214-Y217 PolarHBondContact O-N 3.2Å; K215-Y217 PolarHBondContact O-N 3.22Å; Y217-F219 VanDerWaalsContact O-CD2 3.26Å; Y217-F219 WeakPolarHBondContact O-CD2 3.21Å; Y217-F219 WeakPolarHBondContact O-CE2 3.38Å; Y217-F219 PolarHBondContact O-N 2.81Å; Y217-L251 HydrophobicContact CD1-CD1 3.59Å; Y217-L251 HydrophobicContact CE1-CB 4.05Å; Y217-L251 HydrophobicContact CE1-CD1 3.53Å; Y217-L251 HydrophobicContact CE1-CG 4.45Å; Y217-L251 HydrophobicContact CE2-CB 4.02Å; Y217-L251 HydrophobicContact CE2-CD1 4.49Å; Y217-L251 HydrophobicContact CG-CD1 4.11Å; Y217-P252 WeakPolarHBondContact CE2-O 3.49Å; Y217-P252 PolarHBondContact OH-O 3.31Å; Y217-L254 HydrophobicContact CE2-CD1 4.15Å; Y217-L254 HydrophobicContact CE2-CD2 4.06Å; Y217-L254 HydrophobicContact CE2-CG 4.08Å
218G98.5Very high96.9Very high1 Ų160.6 Ų60.61%0.0130%0.299CS..THydrogen-bonded Turntrans75.417.8178.100000115.3L214 K215 R216 V240 S241L214-G218 PolarHBondContact O-N 2.92Å; K215-G218 PolarHBondContact O-N 3.37Å; K215-G218 VanDerWaalsContact O-N 3.1Å; R216-G218 VanDerWaalsContact C-N 3.25Å; G218-V240 WeakPolarHBondContact O-CG2 3.46Å; G218-V240 PolarHBondContact O-N 2.86Å; G218-S241 WeakPolarHBondContact CA-O 3.34Å; G218-S241 WeakPolarHBondContact CA-OG 3.32Å; G218-S241 PolarHBondContact O-N 3.01Å
219F98.8Very high96.2Very high1 Ų161.4 Ų61.40%0.00430%0.304CS..EExtended strand (participates in β ladder)trans-108.2131.7-179.8-64.9-68.8000113.2A184 N185 L188 L194 L214 K215 Y217 L237 R238 K239A184-F219 HydrophobicContact CB-CZ 4.45Å; N185-F219 HydrophobicContact CB-CE2 3.85Å; N185-F219 HydrophobicContact CB-CZ 3.73Å; L188-F219 HydrophobicContact CD1-CE1 3.62Å; L188-F219 HydrophobicContact CD1-CZ 4.02Å; L194-F219 HydrophobicContact CB-CD1 4Å; L194-F219 HydrophobicContact CB-CE1 3.75Å; L194-F219 HydrophobicContact CB-CZ 4.3Å; L194-F219 HydrophobicContact CD2-CD1 3.95Å; L194-F219 HydrophobicContact CD2-CD2 3.85Å; L194-F219 HydrophobicContact CD2-CE1 3.86Å; L194-F219 HydrophobicContact CD2-CE2 3.76Å; L194-F219 HydrophobicContact CD2-CG 3.94Å; L194-F219 HydrophobicContact CD2-CZ 3.75Å; L194-F219 HydrophobicContact CG-CE1 4.4Å; L214-F219 HydrophobicContact CB-CB 4.21Å; L214-F219 PolarHBondContact O-N 2.86Å; L214-F219 VanDerWaalsContact O-N 3.08Å; K215-F219 VanDerWaalsContact CA-O 3.3Å; K215-F219 WeakPolarHBondContact CA-O 3.37Å; K215-F219 PolarHBondContact N-O 2.93Å; Y217-F219 VanDerWaalsContact O-CD2 3.26Å; Y217-F219 WeakPolarHBondContact O-CD2 3.21Å; Y217-F219 WeakPolarHBondContact O-CE2 3.38Å; Y217-F219 PolarHBondContact O-N 2.81Å; F219-L237 HydrophobicContact CB-CB 4.01Å; F219-L237 HydrophobicContact CB-CD2 3.88Å; F219-L237 HydrophobicContact CD1-CB 4.45Å; F219-R238 WeakPolarHBondContact CA-O 3.45Å; F219-K239 HydrophobicContact CD1-CB 4.3Å; F219-K239 HydrophobicContact CE1-CB 4.06Å
220A98.5Very high95.3Very high36 Ų3658.3 Ų58.330%0.29829%0.288SS..EExtended strand (participates in β ladder)trans-105125.2170.800000110.3Q222 L237 R238 V240A220-Q222 PolarHBondContact O-N 2.9Å; A220-L237 CarbonylContact O-C 3.57Å; A220-L237 VanDerWaalsContact O-CA 3.24Å; A220-L237 WeakPolarHBondContact O-CA 3.34Å; A220-R238 PolarHBondContact N-O 2.94Å; A220-R238 PolarHBondContact O-N 2.94Å; A220-V240 HydrophobicContact CB-CB 4.49Å; A220-V240 HydrophobicContact CB-CG1 3.57Å; A220-V240 HydrophobicContact CB-CG2 4.05Å
221K98.5Very high94.8Very high101 Ų10165.8 Ų65.844%0.43932%0.317SS..EExtended strand (participates in β ladder)trans-63.8123.1176.3-174.2-173.882.6156.60110.8L211 S224 L237L211-K221 HydrophobicContact CB-CD 4.38Å; L211-K221 HydrophobicContact CD1-CD 3.61Å; L211-K221 HydrophobicContact CD1-CG 4.29Å; K221-S224 PolarHBondContact NZ-OG 3.46Å; K221-S224 VanDerWaalsContact NZ-OG 3.09Å; K221-L237 HydrophobicContact CB-CD2 4.4Å
222Q97.8Very high94.6Very high80 Ų8065.6 Ų65.637%0.37432%0.316SS..EExtended strand (participates in β ladder)trans-95.1-44.5168.4-71174-87.700111.3A220 L236 R238A220-Q222 PolarHBondContact O-N 2.9Å; Q222-L236 HydrophobicContact CB-CB 4.46Å; Q222-L236 HydrophobicContact CB-CD2 4.36Å; Q222-L236 PolarHBondContact N-O 3.43Å; Q222-R238 HydrophobicContact CG-CB 4.27Å
223F97.8Very high94.6Very high73 Ų7359.6 Ų59.632%0.3229%0.289SS..EExtended strand (participates in β ladder)trans-141.6148-177.2175.1-92.3000110.4W98 E225 A235 L236W98-F223 HydrophobicContact CH2-CD1 4.5Å; W98-F223 AromaticContact CZ2-CD1 3.98Å; W98-F223 HydrophobicContact CZ2-CD1 3.98Å; W98-F223 AromaticContact CZ2-CE1 3.73Å; W98-F223 HydrophobicContact CZ2-CE1 3.73Å; F223-E225 HydrophobicContact CE1-CB 3.76Å; F223-E225 HydrophobicContact CZ-CB 3.66Å; F223-A235 VanDerWaalsContact O-CA 3.31Å; F223-A235 WeakPolarHBondContact O-CA 3.23Å; F223-L236 HydrophobicContact CB-CB 3.9Å; F223-L236 PolarHBondContact N-O 3.2Å; F223-L236 VanDerWaalsContact N-O 3.09Å; F223-L236 PolarHBondContact O-N 3.39Å
224S97.6Very high94.6Very high33 Ų3356.7 Ų56.723%0.23128%0.276CS..EExtended strand (participates in β ladder)trans-155142.4168.859.10000111.3K221 R234K221-S224 PolarHBondContact NZ-OG 3.46Å; K221-S224 VanDerWaalsContact NZ-OG 3.09Å; S224-R234 CarbonylContact C-O 3.49Å; S224-R234 VanDerWaalsContact CA-O 3.22Å; S224-R234 WeakPolarHBondContact CA-O 3.44Å
225E96.2Very high94.6Very high81 Ų8156.7 Ų56.738%0.37928%0.276SS..EExtended strand (participates in β ladder)trans-143.7152.1178.1-179.3179.3-160.200110.5F223 V233 R234F223-E225 HydrophobicContact CE1-CB 3.76Å; F223-E225 HydrophobicContact CZ-CB 3.66Å; E225-V233 WeakPolarHBondContact O-CA 3.45Å; E225-R234 PolarHBondContact N-O 3.03Å; E225-R234 PolarHBondContact O-N 3.01Å
226I95.1Very high94.6Very high90 Ų9050 Ų5046%0.46225%0.247SC..EExtended strand (participates in β ladder)trans-117.1113.6163.8-56.7179.2000106.2T200 F207 V233T200-I226 HydrophobicContact CG2-CG2 3.62Å; F207-I226 HydrophobicContact CB-CD1 4.42Å; F207-I226 HydrophobicContact CD1-CG1 4.18Å; I226-V233 HydrophobicContact CD1-CG1 4.5Å; I226-V233 HydrophobicContact CG1-CG1 3.92Å; I226-V233 HydrophobicContact CG2-CG1 4.47Å
227T91.7Very high94.6Very high7 Ų744 Ų444%0.04323%0.225CC..  trans-75.4135.9-176.863.40000110.4D229 T230 Y231 F232 R234T227-D229 WeakPolarHBondContact CB-OD1 3.45Å; T227-T230 WeakPolarHBondContact CB-OG1 3.42Å; T227-T230 PolarHBondContact OG1-OG1 2.96Å; T227-Y231 PolarHBondContact OG1-N 3.28Å; T227-F232 PolarHBondContact N-O 3.38Å; T227-F232 PolarHBondContact OG1-N 3Å; T227-F232 PolarHBondContact OG1-O 2.87Å; T227-R234 HydrophobicContact CG2-CG 4.45Å
228S84.7Confident94.6Very high111 Ų11148.1 Ų48.178%0.77624%0.24SC*.THydrogen-bonded Turntrans-77.1-28.6176.551.70000113.4
229D81.2Confident94.6Very high101 Ų10148.3 Ų48.354%0.5424%0.241SC..THydrogen-bonded Turntrans-94.8-40.4-170.465-29.2000113.6T227T227-D229 WeakPolarHBondContact CB-OD1 3.45Å
230T79.3Confident94.6Very high9 Ų952.5 Ų52.56%0.05527%0.266CS..THydrogen-bonded Turntrans-100.5-5.8-174.552.60000113.9P92 T227 F232 R234P92-T230 HydrophobicContact CB-CG2 4.37Å; P92-T230 HydrophobicContact CG-CG2 4.37Å; T227-T230 WeakPolarHBondContact CB-OG1 3.42Å; T227-T230 PolarHBondContact OG1-OG1 2.96Å; T230-F232 VanDerWaalsContact CB-CD2 3.47Å; T230-F232 HydrophobicContact CG2-CD2 4.44Å; T230-F232 HydrophobicContact CG2-CE2 4.46Å; T230-F232 PolarHBondContact O-N 3.02Å; T230-F232 WeakPolarHBondContact OG1-CD2 3.42Å; T230-R234 PolarHBondContact OG1-NH2 3.41Å
231Y87.6Confident94.6Very high169 Ų16953.7 Ų53.766%0.66327%0.273SS*.  trans53.732.8-176.4-54.5-87.5000113.5T200 T227T200-Y231 WeakPolarHBondContact CB-O 3.42Å; T200-Y231 PolarHBondContact N-O 2.95Å; T200-Y231 PolarHBondContact OG1-O 3.31Å; T227-Y231 PolarHBondContact OG1-N 3.28Å
232F94.7Very high94.6Very high4 Ų452 Ų522%0.01827%0.273CS..EExtended strand (participates in β ladder)trans-100.8149.5171-61.3-46.1000111.7W91 P95 L170 V197 D198 V199 T200 T227 T230 R234W91-F232 AromaticContact CD2-CZ 3.95Å; W91-F232 HydrophobicContact CD2-CZ 3.95Å; W91-F232 HydrophobicContact CE3-CE1 4.45Å; W91-F232 AromaticContact CE3-CZ 3.64Å; W91-F232 HydrophobicContact CE3-CZ 3.64Å; W91-F232 HydrophobicContact CH2-CE1 4.04Å; W91-F232 HydrophobicContact CH2-CZ 4.03Å; W91-F232 HydrophobicContact CZ2-CE1 4.27Å; W91-F232 HydrophobicContact CZ2-CZ 4.29Å; W91-F232 HydrophobicContact CZ3-CE1 4.18Å; W91-F232 AromaticContact CZ3-CZ 3.73Å; W91-F232 HydrophobicContact CZ3-CZ 3.73Å; P95-F232 HydrophobicContact CB-CE2 4.13Å; P95-F232 HydrophobicContact CB-CZ 4.46Å; L170-F232 HydrophobicContact CD1-CE1 4.43Å; L170-F232 HydrophobicContact CD2-CD1 3.98Å; L170-F232 HydrophobicContact CD2-CE1 3.73Å; V197-F232 HydrophobicContact CG1-CB 4.24Å; V197-F232 HydrophobicContact CG1-CG 4.25Å; D198-F232 CarbonylContact O-C 3.59Å; D198-F232 WeakPolarHBondContact O-CA 3.3Å; V199-F232 HydrophobicContact CG2-CD1 4.41Å; V199-F232 HydrophobicContact CG2-CE1 4.25Å; T200-F232 PolarHBondContact OG1-N 2.67Å; T200-F232 PolarHBondContact OG1-O 3.24Å; T227-F232 PolarHBondContact N-O 3.38Å; T227-F232 PolarHBondContact OG1-N 3Å; T227-F232 PolarHBondContact OG1-O 2.87Å; T230-F232 VanDerWaalsContact CB-CD2 3.47Å; T230-F232 HydrophobicContact CG2-CD2 4.44Å; T230-F232 HydrophobicContact CG2-CE2 4.46Å; T230-F232 PolarHBondContact O-N 3.02Å; T230-F232 WeakPolarHBondContact OG1-CD2 3.42Å; F232-R234 HydrophobicContact CB-CG 4.5Å
233V96.9Very high94.4Very high0 Ų048.2 Ų48.20%026%0.256CS..EExtended strand (participates in β ladder)trans-95145.6154.3-610000108.8V197 D198 T200 F203 F207 E225 I226V197-V233 WeakPolarHBondContact CA-O 3.5Å; D198-V233 HydrophobicContact CB-CG2 4.24Å; D198-V233 PolarHBondContact N-O 2.83Å; D198-V233 WeakPolarHBondContact O-CG2 3.48Å; D198-V233 PolarHBondContact O-N 3.33Å; T200-V233 HydrophobicContact CG2-CG1 4.23Å; T200-V233 PolarHBondContact OG1-N 2.69Å; F203-V233 HydrophobicContact CD2-CB 4.5Å; F203-V233 HydrophobicContact CD2-CG1 4.05Å; F203-V233 HydrophobicContact CD2-CG2 3.63Å; F203-V233 HydrophobicContact CE1-CG2 4.5Å; F203-V233 HydrophobicContact CE2-CB 4.46Å; F203-V233 HydrophobicContact CE2-CG1 4.49Å; F203-V233 HydrophobicContact CE2-CG2 3.22Å; F203-V233 HydrophobicContact CG-CG2 4.46Å; F203-V233 HydrophobicContact CZ-CG2 3.69Å; F207-V233 HydrophobicContact CB-CG1 4.09Å; F207-V233 HydrophobicContact CD1-CB 3.75Å; F207-V233 HydrophobicContact CD1-CG1 3.79Å; F207-V233 HydrophobicContact CD1-CG2 4.49Å; F207-V233 HydrophobicContact CD2-CB 4.02Å; F207-V233 HydrophobicContact CD2-CG1 4.16Å; F207-V233 HydrophobicContact CD2-CG2 3.87Å; F207-V233 HydrophobicContact CE1-CB 3.6Å; F207-V233 HydrophobicContact CE1-CG1 4.18Å; F207-V233 HydrophobicContact CE1-CG2 4.25Å; F207-V233 HydrophobicContact CE2-CB 3.88Å; F207-V233 HydrophobicContact CE2-CG2 3.59Å; F207-V233 HydrophobicContact CG-CB 3.95Å; F207-V233 HydrophobicContact CG-CG1 3.76Å; F207-V233 HydrophobicContact CG-CG2 4.31Å; F207-V233 HydrophobicContact CZ-CB 3.64Å; F207-V233 HydrophobicContact CZ-CG2 3.77Å; E225-V233 WeakPolarHBondContact O-CA 3.45Å; I226-V233 HydrophobicContact CD1-CG1 4.5Å; I226-V233 HydrophobicContact CG1-CG1 3.92Å; I226-V233 HydrophobicContact CG2-CG1 4.47Å
234R97.9Very high94.1Very high20 Ų2046.9 Ų46.98%0.07526%0.255CS..EExtended strand (participates in β ladder)trans-134.8134.4-179.9-62.8173.5-179.1178.5-0.1108.3W98 I196 V197 S224 E225 T227 T230 F232W98-R234 HydrophobicContact CD2-CB 4.35Å; W98-R234 HydrophobicContact CD2-CG 4.18Å; W98-R234 HydrophobicContact CE3-CB 4.34Å; W98-R234 HydrophobicContact CE3-CG 4.28Å; W98-R234 HydrophobicContact CH2-CB 3.72Å; W98-R234 HydrophobicContact CZ2-CB 3.71Å; W98-R234 HydrophobicContact CZ2-CG 4.42Å; W98-R234 HydrophobicContact CZ3-CB 4.02Å; W98-R234 HydrophobicContact CZ3-CG 4.42Å; I196-R234 CarbonylContact O-C 3.58Å; I196-R234 WeakPolarHBondContact O-CA 3.42Å; V197-R234 HydrophobicContact CG1-CG 4.24Å; V197-R234 HydrophobicContact CG2-CG 4.34Å; S224-R234 CarbonylContact C-O 3.49Å; S224-R234 VanDerWaalsContact CA-O 3.22Å; S224-R234 WeakPolarHBondContact CA-O 3.44Å; E225-R234 PolarHBondContact N-O 3.03Å; E225-R234 PolarHBondContact O-N 3.01Å; T227-R234 HydrophobicContact CG2-CG 4.45Å; T230-R234 PolarHBondContact OG1-NH2 3.41Å; F232-R234 HydrophobicContact CB-CG 4.5Å
235A98.6Very high93.7Very high0 Ų050.7 Ų50.70%028%0.282CS..EExtended strand (participates in β ladder)trans-144.4147.4174.500000112.4I196 F207 L211 F223 L237I196-A235 PolarHBondContact N-O 3.09Å; I196-A235 PolarHBondContact O-N 2.82Å; F207-A235 HydrophobicContact CE1-CB 4.34Å; F207-A235 HydrophobicContact CZ-CB 3.67Å; L211-A235 HydrophobicContact CD1-CB 4.29Å; L211-A235 HydrophobicContact CD2-CB 3.75Å; F223-A235 VanDerWaalsContact O-CA 3.31Å; F223-A235 WeakPolarHBondContact O-CA 3.23Å; A235-L237 HydrophobicContact CB-CD1 3.88Å
236L98.6Very high93.4Very high6 Ų649.9 Ų49.93%0.03128%0.278CS..EExtended strand (participates in β ladder)trans-118.7124.7170.3-163.572.5000107.7K102 E106 I193 I195 Q222 F223K102-L236 HydrophobicContact CB-CD1 4.49Å; E106-L236 HydrophobicContact CG-CD2 3.94Å; E106-L236 VanDerWaalsContact OE1-CD2 3.26Å; E106-L236 WeakPolarHBondContact OE1-CD2 3.31Å; I193-L236 HydrophobicContact CG2-CD1 3.27Å; I193-L236 HydrophobicContact CG2-CG 3.92Å; I195-L236 HydrophobicContact CD1-CD1 4.36Å; I195-L236 HydrophobicContact CG1-CD1 3.73Å; Q222-L236 HydrophobicContact CB-CB 4.46Å; Q222-L236 HydrophobicContact CB-CD2 4.36Å; Q222-L236 PolarHBondContact N-O 3.43Å; F223-L236 HydrophobicContact CB-CB 3.9Å; F223-L236 PolarHBondContact N-O 3.2Å; F223-L236 VanDerWaalsContact N-O 3.09Å; F223-L236 PolarHBondContact O-N 3.39Å
237L98.8Very high93.4Very high0 Ų052 Ų520%029%0.29CS..EExtended strand (participates in β ladder)trans-130143.6177.2-5394.3000110.3I193 L194 I196 L211 L214 F219 A220 K221 A235I193-L237 WeakPolarHBondContact CA-O 3.48Å; L194-L237 HydrophobicContact CB-CB 4.34Å; L194-L237 HydrophobicContact CD2-CD1 4.24Å; L194-L237 HydrophobicContact CG-CD1 4.4Å; L194-L237 PolarHBondContact N-O 3.3Å; L194-L237 PolarHBondContact O-N 3.01Å; I196-L237 HydrophobicContact CD1-CD1 4.09Å; L211-L237 HydrophobicContact CD2-CD1 4.19Å; L211-L237 HydrophobicContact CD2-CD2 4.19Å; L214-L237 HydrophobicContact CB-CD2 4.02Å; L214-L237 HydrophobicContact CD1-CD1 4.23Å; L214-L237 HydrophobicContact CD1-CD2 3.71Å; F219-L237 HydrophobicContact CB-CB 4.01Å; F219-L237 HydrophobicContact CB-CD2 3.88Å; F219-L237 HydrophobicContact CD1-CB 4.45Å; A220-L237 CarbonylContact O-C 3.57Å; A220-L237 VanDerWaalsContact O-CA 3.24Å; A220-L237 WeakPolarHBondContact O-CA 3.34Å; K221-L237 HydrophobicContact CB-CD2 4.4Å; A235-L237 HydrophobicContact CB-CD1 3.88Å
238R98.7Very high93.5Very high87 Ų8752.9 Ų52.933%0.32830%0.295SS..EExtended strand (participates in β ladder)trans-97.8136.3174.1-168.3166.6-60.7-852.7110.2E106 G191 G192 I193 F219 A220 Q222 V240E106-R238 IonicContact OE2-NH2 3.53Å; E106-R238 PolarHBondContact OE2-NH2 3.31Å; G191-R238 WeakPolarHBondContact O-CG 3.31Å; G191-R238 PolarHBondContact O-NH1 3.2Å; G192-R238 WeakPolarHBondContact O-CA 3.46Å; I193-R238 HydrophobicContact CD1-CB 4.11Å; I193-R238 HydrophobicContact CD1-CG 4.09Å; I193-R238 VanDerWaalsContact CD1-NH1 3.34Å; F219-R238 WeakPolarHBondContact CA-O 3.45Å; A220-R238 PolarHBondContact N-O 2.94Å; A220-R238 PolarHBondContact O-N 2.94Å; Q222-R238 HydrophobicContact CG-CB 4.27Å; R238-V240 PolarHBondContact O-N 3.24Å
239K98.7Very high94Very high6 Ų655.2 Ų55.23%0.02629%0.294CS..EExtended strand (participates in β ladder)trans-68.1115.2166.3179.1173169.3-175.30108.6D161 N185 L188 G191 G192 F219D161-K239 IonicContact OD1-NZ 3.96Å; D161-K239 PolarHBondContact OD1-NZ 3.18Å; N185-K239 WeakPolarHBondContact O-CD 3.36Å; N185-K239 VanDerWaalsContact O-CE 3.29Å; N185-K239 WeakPolarHBondContact O-CE 3.41Å; N185-K239 PolarHBondContact O-NZ 3.5Å; L188-K239 HydrophobicContact CB-CD 3.84Å; L188-K239 WeakPolarHBondContact O-CD 3.26Å; L188-K239 PolarHBondContact O-NZ 3.42Å; G191-K239 WeakPolarHBondContact CA-O 3.49Å; G191-K239 PolarHBondContact N-O 3.47Å; G192-K239 PolarHBondContact O-N 2.89Å; F219-K239 HydrophobicContact CD1-CB 4.3Å; F219-K239 HydrophobicContact CE1-CB 4.06Å
240V98.4Very high94.7Very high88 Ų8853.8 Ų53.853%0.53329%0.291SS..  trans-109.5-18.4179.5-65.30000112.8G218 A220 R238G218-V240 WeakPolarHBondContact O-CG2 3.46Å; G218-V240 PolarHBondContact O-N 2.86Å; A220-V240 HydrophobicContact CB-CB 4.49Å; A220-V240 HydrophobicContact CB-CG1 3.57Å; A220-V240 HydrophobicContact CB-CG2 4.05Å; R238-V240 PolarHBondContact O-N 3.24Å
241S97.9Very high95.5Very high62 Ų6253.7 Ų53.743%0.43429%0.291SS..SBendtrans-153159.5172.964.60000110.6N185 G218N185-S241 PolarHBondContact ND2-O 3.18Å; G218-S241 WeakPolarHBondContact CA-O 3.34Å; G218-S241 WeakPolarHBondContact CA-OG 3.32Å; G218-S241 PolarHBondContact O-N 3.01Å
242S97.6Very high96Very high64 Ų6447.7 Ų47.745%0.44827%0.272SS..  trans-78.2141.9167.1177.40000109.9N185 S244N185-S242 WeakPolarHBondContact OD1-CA 3.34Å; S242-S244 WeakPolarHBondContact OG-CB 3.39Å; S242-S244 PolarHBondContact OG-N 3.12Å; S242-S244 PolarHBondContact OG-OG 2.92Å; S242-S244 VanDerWaalsContact OG-OG 3.07Å
243C95.5Very high96.1Very high1 Ų154.8 Ų54.81%0.00730%0.303CS..  trans-104.86.5165.964.20000112.8Y182 N185 S245 E246 L251Y182-C243 VanDerWaalsContact CD2-SG 3.52Å; Y182-C243 HydrophobicContact CE2-CB 4.45Å; Y182-C243 VanDerWaalsContact CE2-O 3.3Å; Y182-C243 WeakPolarHBondContact CE2-O 3.36Å; N185-C243 VanDerWaalsContact CB-SG 3.58Å; N185-C243 VanDerWaalsContact CG-SG 3.52Å; N185-C243 PolarHBondContact OD1-N 3.37Å; C243-S245 PolarHBondContact O-N 3Å; C243-S245 VanDerWaalsContact O-N 3.14Å; C243-E246 PolarHBondContact O-N 3.19Å; C243-E246 VanDerWaalsContact O-N 3.1Å; C243-L251 HydrophobicContact CB-CD1 4.37Å
244S90.1Very high96Very high45 Ų4554.8 Ų54.832%0.31530%0.303SS..THydrogen-bonded Turntrans-68-13.7-171-52.40000114.8Y182 S242Y182-S244 WeakPolarHBondContact OH-CA 3.33Å; Y182-S244 PolarHBondContact OH-O 2.99Å; S242-S244 WeakPolarHBondContact OG-CB 3.39Å; S242-S244 PolarHBondContact OG-N 3.12Å; S242-S244 PolarHBondContact OG-OG 2.92Å; S242-S244 VanDerWaalsContact OG-OG 3.07Å
245S89.9Confident95.7Very high113 Ų11359.7 Ų59.779%0.7933%0.331SS*.THydrogen-bonded Turntrans-84.9-14.7175.854.40000113.4C243C243-S245 PolarHBondContact O-N 3Å; C243-S245 VanDerWaalsContact O-N 3.14Å
246E90.1Very high95.5Very high64 Ų6461 Ų6130%0.29934%0.337SS..SBendtrans-94151.5175.2-67.6-177.8-119.800109.9Y182 R216 C243 L251Y182-E246 PolarHBondContact OH-O 3.24Å; R216-E246 IonicContact CZ-OE2 3.05Å; R216-E246 IonicContact NH2-OE1 3.94Å; R216-E246 IonicContact NH2-OE2 2.74Å; R216-E246 PolarHBondContact NH2-OE2 2.79Å; C243-E246 PolarHBondContact O-N 3.19Å; C243-E246 VanDerWaalsContact O-N 3.1Å; E246-L251 HydrophobicContact CB-CD2 4.34Å; E246-L251 WeakPolarHBondContact OE2-CD2 2.99Å
247L94.3Very high95.3Very high136 Ų13666.1 Ų66.171%0.71236%0.359SS*.  trans-73.1136168.5-65.4174.7000108.7H249 S250L247-H249 PolarHBondContact O-N 3.11Å; L247-S250 PolarHBondContact O-N 2.77Å; L247-S250 PolarHBondContact O-OG 3.04Å
248V95.1Very high94.9Very high25 Ų2568.3 Ų68.315%0.15237%0.374CS..G310 helixtrans-53-34178.165.20000112.6E179 Y182 S250 L251E179-V248 HydrophobicContact CG-CG1 4.31Å; E179-V248 HydrophobicContact CG-CG2 4.03Å; Y182-V248 HydrophobicContact CD1-CB 4.36Å; Y182-V248 HydrophobicContact CD2-CB 4.03Å; Y182-V248 HydrophobicContact CD2-CG2 4.13Å; Y182-V248 HydrophobicContact CE2-CB 4.33Å; Y182-V248 HydrophobicContact CG-CB 4.02Å; Y182-V248 HydrophobicContact CG-CG2 3.93Å; V248-S250 VanDerWaalsContact C-N 3.29Å; V248-S250 PolarHBondContact O-N 2.83Å; V248-L251 WeakPolarHBondContact O-CB 3.32Å; V248-L251 PolarHBondContact O-N 3.44Å; V248-L251 VanDerWaalsContact O-N 3.14Å
249H93.8Very high94.2Very high160 Ų16065.1 Ų65.174%0.74136%0.364SS*.G310 helixtrans-71.3-17178.4-55.9-53.6000114.6L247 L251L247-H249 PolarHBondContact O-N 3.11Å; H249-L251 VanDerWaalsContact C-N 3.32Å
250S95.9Very high92.8Very high70 Ų7070.2 Ų70.249%0.4940%0.401SS..G310 helixtrans-82.4-11.4171.765.20000112.8L247 V248L247-S250 PolarHBondContact O-N 2.77Å; L247-S250 PolarHBondContact O-OG 3.04Å; V248-S250 VanDerWaalsContact C-N 3.29Å; V248-S250 PolarHBondContact O-N 2.83Å
251L97Very high91.5Very high8 Ų868.8 Ų68.84%0.04239%0.387CS..SBendtrans-81.9156.8177.1-59179.6000111.8Y182 R216 Y217 C243 E246 V248 H249 K253Y182-L251 HydrophobicContact CD2-CD1 3.64Å; Y182-L251 HydrophobicContact CE2-CD1 4.15Å; R216-L251 HydrophobicContact CB-CD2 4.33Å; R216-L251 WeakPolarHBondContact O-CD2 3.41Å; Y217-L251 HydrophobicContact CD1-CD1 3.59Å; Y217-L251 HydrophobicContact CE1-CB 4.05Å; Y217-L251 HydrophobicContact CE1-CD1 3.53Å; Y217-L251 HydrophobicContact CE1-CG 4.45Å; Y217-L251 HydrophobicContact CE2-CB 4.02Å; Y217-L251 HydrophobicContact CE2-CD1 4.49Å; Y217-L251 HydrophobicContact CG-CD1 4.11Å; C243-L251 HydrophobicContact CB-CD1 4.37Å; E246-L251 HydrophobicContact CB-CD2 4.34Å; E246-L251 WeakPolarHBondContact OE2-CD2 2.99Å; V248-L251 WeakPolarHBondContact O-CB 3.32Å; V248-L251 PolarHBondContact O-N 3.44Å; V248-L251 VanDerWaalsContact O-N 3.14Å; H249-L251 VanDerWaalsContact C-N 3.32Å; L251-K253 PolarHBondContact O-N 3.37Å
252P96.8Very high89.8Confident42 Ų4275.2 Ų75.227%0.27341%0.407SS..PPolyproline II helixtrans-60.6128.1178-21.632.1000111.7K213 R216 Y217 L254K213-P252 HydrophobicContact CB-CB 4.23Å; K213-P252 HydrophobicContact CD-CB 4.17Å; K213-P252 HydrophobicContact CG-CB 4.03Å; R216-P252 HydrophobicContact CB-CG 3.88Å; R216-P252 HydrophobicContact CG-CG 3.75Å; Y217-P252 WeakPolarHBondContact CE2-O 3.49Å; Y217-P252 PolarHBondContact OH-O 3.31Å; P252-L254 PolarHBondContact O-N 2.78Å
253K96.6Very high87.9Confident153 Ų15382 Ų8267%0.66543%0.428SS*.PPolyproline II helixtrans-58.8131.6174.9-66.5-170.8177.6-174.10111.9K213 L251K213-K253 PolarHBondContact NZ-O 3.16Å; L251-K253 PolarHBondContact O-N 3.37Å
254L96.4Very high86Confident1 Ų195.5 Ų95.51%0.00548%0.479CS..  trans-96.295.2171.6-55-177.1000108.4C177 S178 L181 F210 K213 L214 Y217 P252C177-L254 PolarHBondContact SG-O 3.31Å; S178-L254 PolarHBondContact OG-N 3.39Å; L181-L254 HydrophobicContact CB-CD1 3.91Å; L181-L254 HydrophobicContact CD2-CD1 4.4Å; L181-L254 HydrophobicContact CG-CD1 3.75Å; F210-L254 HydrophobicContact CD2-CB 4.45Å; F210-L254 HydrophobicContact CD2-CD2 4.06Å; F210-L254 HydrophobicContact CE2-CB 4.1Å; F210-L254 HydrophobicContact CE2-CD1 3.94Å; F210-L254 HydrophobicContact CE2-CD2 4.08Å; F210-L254 HydrophobicContact CE2-CG 4.26Å; F210-L254 HydrophobicContact CZ-CD1 4.49Å; K213-L254 HydrophobicContact CB-CD2 3.81Å; K213-L254 HydrophobicContact CD-CD2 4.01Å; L214-L254 HydrophobicContact CD2-CD1 3.66Å; L214-L254 HydrophobicContact CD2-CD2 4.17Å; Y217-L254 HydrophobicContact CE2-CD1 4.15Å; Y217-L254 HydrophobicContact CE2-CD2 4.06Å; Y217-L254 HydrophobicContact CE2-CG 4.08Å; P252-L254 PolarHBondContact O-N 2.78Å
255N90.8Very high85.8Confident122 Ų12298 Ų9865%0.65249%0.487SS*.  trans-101.1115.6178.6-63.3-30.4000108.9
256L95.1Very high85.6Confident27 Ų2797.2 Ų97.214%0.14147%0.471CS..  trans-106.2146.6174.2-59.4-178000109.8L172 R202 F203 F210L172-L256 HydrophobicContact CB-CD1 3.97Å; L172-L256 HydrophobicContact CD1-CD1 4.47Å; R202-L256 VanDerWaalsContact NH2-CB 3.34Å; F203-L256 HydrophobicContact CD1-CD2 3.64Å; F203-L256 HydrophobicContact CE1-CD1 4.44Å; F203-L256 HydrophobicContact CE1-CD2 3.45Å; F203-L256 VanDerWaalsContact CE1-CD2 3.45Å; F203-L256 HydrophobicContact CG-CD2 4.41Å; F203-L256 HydrophobicContact CZ-CD1 4.3Å; F203-L256 HydrophobicContact CZ-CD2 4.03Å; F210-L256 HydrophobicContact CD2-CD2 3.94Å; F210-L256 HydrophobicContact CE2-CD2 4.14Å
257K93.8Very high85.3Confident114 Ų11499.1 Ų99.150%0.49648%0.481SS..  trans-70.8146.5174.3-67.5-74.9-174.7169.90109.9R202 D204R202-K257 WeakPolarHBondContact CG-O 3.39Å; R202-K257 PolarHBondContact NE-O 3.07Å; R202-K257 VanDerWaalsContact NE-O 3.1Å; R202-K257 PolarHBondContact O-N 3.31Å; D204-K257 HydrophobicContact CB-CG 4.17Å
258P91.2Very high84.8Confident47 Ų4796.9 Ų96.931%0.30547%0.467SS..  trans-69.8148.8170.430.2-34.9000111.2Y59 T60 S260Y59-P258 HydrophobicContact CG-CB 4.36Å; T60-P258 HydrophobicContact CG2-CB 3.89Å; T60-P258 HydrophobicContact CG2-CG 4.25Å; P258-S260 PolarHBondContact O-N 3.05Å; P258-S260 VanDerWaalsContact O-N 3.12Å
259C83.1Confident84.1Confident19 Ų19101.4 Ų101.413%0.12849%0.487CS..  trans-63.5115.8169.5-76.50000109.4Y59Y59-C259 HydrophobicContact CD2-CB 3.7Å; Y59-C259 HydrophobicContact CE2-CB 3.44Å; Y59-C259 VanDerWaalsContact CE2-CB 3.44Å; Y59-C259 VanDerWaalsContact CE2-SG 3.54Å
260S70.4Confident83.5Confident114 Ų11497.5 Ų97.580%0.79747%0.47SS*.PPolyproline II helixtrans-86.5123.6-177.3-58.60000110.5P258P258-S260 PolarHBondContact O-N 3.05Å; P258-S260 VanDerWaalsContact O-N 3.12Å
261Y69.6Low82.6Confident58 Ų5899.4 Ų99.423%0.22747%0.468CS..PPolyproline II helixtrans-95.7132.7167.2-67.7-76000110.1R52 N55 E56 K263R52-Y261 HydrophobicContact CB-CD1 4.39Å; R52-Y261 HydrophobicContact CB-CD2 4.05Å; R52-Y261 HydrophobicContact CB-CE1 4.38Å; R52-Y261 HydrophobicContact CB-CE2 4.02Å; R52-Y261 HydrophobicContact CB-CG 4.22Å; R52-Y261 HydrophobicContact CG-CD1 3.84Å; R52-Y261 HydrophobicContact CG-CD2 4.36Å; R52-Y261 HydrophobicContact CG-CE1 3.7Å; R52-Y261 HydrophobicContact CG-CE2 4.23Å; R52-Y261 HydrophobicContact CG-CG 4.16Å; R52-Y261 WeakPolarHBondContact O-CE2 3.4Å; N55-Y261 HydrophobicContact CB-CE2 4.04Å; N55-Y261 WeakPolarHBondContact CB-OH 3.39Å; N55-Y261 PolarHBondContact ND2-OH 3.44Å; E56-Y261 HydrophobicContact CB-CD2 4.45Å; Y261-K263 PolarHBondContact O-N 3.45Å
262K62.3Low81.5Confident196 Ų196106.5 Ų106.585%0.85250%0.501SS*.PPolyproline II helixtrans-59.7128.1168-72.6-172179.8-178.70109R264K262-R264 PolarHBondContact O-N 3.39Å
263K58.5Low80.2Confident206 Ų206111.8 Ų111.890%0.89652%0.52SS*.PPolyproline II helixtrans-60.5131.2165.2-69.8-177.9-179.8176.30107.4Y261Y261-K263 PolarHBondContact O-N 3.45Å
264R54.8Low78.7Confident285 Ų285108.1 Ų108.1100%1.07551%0.507SS*.  trans-89.90169-72.9-170.8-177.2-174.70.1108.9K262K262-R264 PolarHBondContact O-N 3.39Å

Retrieved 264 of 264 residues in 68.2 ms (Link to these results)

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