A0A5K4FG83_SCHMA Loading...

Ribonuclease T(2)

AlphaFold DB , UniProt , Accession A0A5K4FG83, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 186 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M32.6Very low37.1Very low245 Ų245135.8 Ų135.8100%1.20776%0.762SS**  0116.20-148.4136.2149.900105.2
2G33.7Very low38Very low70 Ų70126.9 Ų126.972%0.72271%0.713SS**  trans-58.4144.1-158.200000114.5H4G2-H4 PolarHBondContact O-N 3.21Å
3D30.4Very low38.7Very low154 Ų154126.8 Ų126.882%0.82471%0.707SS**  trans-54.5106.2174.8-61.9-49.9000110.5V5D3-V5 HydrophobicContact CB-CG2 4.42Å; D3-V5 PolarHBondContact O-N 2.98Å
4H34.9Very low39.8Very low192 Ų192119.2 Ų119.289%0.88967%0.665SS**  trans-71.887.9156.7-91.6-68.6000107G2 S6G2-H4 PolarHBondContact O-N 3.21Å; H4-S6 PolarHBondContact O-N 3.48Å
5V33Very low40.5Very low117 Ų117114.3 Ų114.371%0.70964%0.64SS**  trans-54.2105.7166.6-179.20000106.8D3 E7D3-V5 HydrophobicContact CB-CG2 4.42Å; D3-V5 PolarHBondContact O-N 2.98Å; V5-E7 PolarHBondContact O-N 3.35Å; V5-E7 VanDerWaalsContact O-N 3.1Å
6S37.2Very low41.5Very low94 Ų94113.9 Ų113.966%0.65765%0.646SS**  trans-50.3118.6164.553.10000107H4 T8H4-S6 PolarHBondContact O-N 3.48Å; S6-T8 PolarHBondContact O-N 3.2Å
7E38Very low42.4Very low193 Ų193117.5 Ų117.590%0.90265%0.653SS**  trans-49.2112.6172.2-79.1-178.6153.500107.8V5 C9V5-E7 PolarHBondContact O-N 3.35Å; V5-E7 VanDerWaalsContact O-N 3.1Å; E7-C9 PolarHBondContact O-N 3.06Å
8T36.4Very low43.4Very low110 Ų110121.2 Ų121.268%0.67566%0.655SS**  trans-62123.8-175.338.80000108.6S6 K10S6-T8 PolarHBondContact O-N 3.2Å; T8-K10 PolarHBondContact O-N 3.01Å
9C44.4Very low44.7Very low93 Ų93117.1 Ų117.163%0.62864%0.635SS**  trans-46.9107.3-179.9-177.40000110.6E7E7-C9 PolarHBondContact O-N 3.06Å
10K43.5Very low46.1Very low141 Ų141118.8 Ų118.861%0.61364%0.644SS**  trans-93.2126.4166.7-70.2-173.1-179.41770108T8 T12 I13T8-K10 PolarHBondContact O-N 3.01Å; K10-T12 WeakPolarHBondContact CB-OG1 3.4Å; K10-T12 PolarHBondContact O-N 3.18Å; K10-I13 PolarHBondContact O-N 3.01Å
11P43.9Very low47.9Very low85 Ų85114.8 Ų114.855%0.55263%0.625SS**THydrogen-bonded Turntrans-53.9-13.1175.6-25.333.1000114.6
12T48.3Very low50.3Low29 Ų29108 Ų10818%0.17860%0.597CS.*THydrogen-bonded Turntrans-86.6-14.3-169.754.70000113.7K10 R146 D163K10-T12 WeakPolarHBondContact CB-OG1 3.4Å; K10-T12 PolarHBondContact O-N 3.18Å; T12-R146 PolarHBondContact O-NH1 3.49Å; T12-D163 HydrophobicContact CG2-CB 4.35Å
13I46.2Very low52.6Low125 Ų125105.4 Ų105.464%0.64157%0.571SS**SBendtrans-122.3100.1178.4-54.1177.8000108.5K10K10-I13 PolarHBondContact O-N 3.01Å
14L54.4Low55.3Low21 Ų21104.3 Ų104.311%0.1157%0.569CS.*SBendtrans-84.7157.4170.9-91.3172.3000111.1P159 V160 Y186L14-P159 HydrophobicContact CD1-CG 3.9Å; L14-P159 HydrophobicContact CD2-CG 3.8Å; L14-V160 HydrophobicContact CD1-CB 3.84Å; L14-V160 HydrophobicContact CD1-CG2 4.22Å; L14-V160 HydrophobicContact CD2-CB 4.24Å; L14-V160 HydrophobicContact CD2-CG2 3.66Å; L14-V160 HydrophobicContact CG-CB 4.11Å; L14-V160 HydrophobicContact CG-CG2 4.03Å; L14-Y186 HydrophobicContact CB-CE2 4.42Å; L14-Y186 WeakPolarHBondContact O-CE1 3.43Å; L14-Y186 PolarHBondContact O-OH 3.04Å
15P51.1Low58Low46 Ų4697.6 Ų97.630%0.29954%0.539SS..  cis-74.6157.1-37.423.8-19.5000110.6K17 Y186P15-K17 WeakPolarHBondContact CG-O 3.45Å; P15-K17 CarbonylContact O-C 3.49Å; P15-K17 PolarHBondContact O-N 3.46Å; P15-Y186 HydrophobicContact CG-CD1 3.89Å; P15-Y186 HydrophobicContact CG-CE1 4.25Å; P15-Y186 HydrophobicContact CG-CG 4.18Å
16C55.7Low60.9Low107 Ų107100.6 Ų100.672%0.72354%0.542SS*.SBendtrans-54.4-17.7-177-48.50000114.4
17K56.5Low63.6Low176 Ų17697.1 Ų97.177%0.76552%0.515SS*.SBendtrans-125.9120169-173.2175-177.3178.30106.3P15P15-K17 WeakPolarHBondContact CG-O 3.45Å; P15-K17 CarbonylContact O-C 3.49Å; P15-K17 PolarHBondContact O-N 3.46Å
18R60.8Low66.4Low183 Ų18391 Ų9169%0.69149%0.488SS*.  trans-56.3134168.8-70.8-168.1-172.5167.76.6107.8N20R18-N20 PolarHBondContact O-N 3.34Å
19P67.3Low69.2Low44 Ų4487.9 Ų87.929%0.28647%0.467SS..  trans-53136.8169.720.6-29000108.4C21 Y186P19-C21 PolarHBondContact O-N 3.46Å; P19-C21 PolarHBondContact O-SG 3.05Å; P19-C21 VanDerWaalsContact O-SG 3.4Å; P19-Y186 HydrophobicContact CG-CD1 4.37Å
20N74Confident71.6Confident150 Ų15088 Ų8880%0.80247%0.465SS*.  trans-76.978.7178.6-171.228.3000108.5R18R18-N20 PolarHBondContact O-N 3.34Å
21C82.6Confident74.1Confident36 Ų3685.8 Ų85.824%0.24346%0.46CS..  trans-81.1131.8-176.7-62.10000110.1P19 C66 Q69P19-C21 PolarHBondContact O-N 3.46Å; P19-C21 PolarHBondContact O-SG 3.05Å; P19-C21 VanDerWaalsContact O-SG 3.4Å; C21-C66 HydrophobicContact CB-CB 3.99Å; C21-C66 WeakPolarHBondContact CB-SG 3.32Å; C21-C66 WeakPolarHBondContact SG-CA 3.27Å; C21-C66 WeakPolarHBondContact SG-CB 3.15Å; C21-C66 CovalentContact SG-SG 2.02Å; C21-C66 PolarHBondContact SG-SG 3.27Å; C21-Q69 VanDerWaalsContact CA-NE2 3.28Å
22T84.6Confident76.6Confident101 Ų10181.8 Ų81.862%0.6243%0.433SS*.  trans-98.86.3-179.456.80000113.1T24 Q69T22-T24 WeakPolarHBondContact O-CG2 3.42Å; T22-T24 PolarHBondContact O-N 2.74Å; T22-Q69 VanDerWaalsContact N-NE2 3.17Å; T22-Q69 PolarHBondContact OG1-OE1 2.91Å
23G80.7Confident78.8Confident17 Ų1788.6 Ų88.618%0.17546%0.461CS..  trans-55.9127.7176.700000111.8
24T86.9Confident81.1Confident130 Ų13086.5 Ų86.580%0.79847%0.47SS*.  trans-117.14.6-17855.80000113.2T22 K26T22-T24 WeakPolarHBondContact O-CG2 3.42Å; T22-T24 PolarHBondContact O-N 2.74Å; T24-K26 PolarHBondContact O-N 2.92Å
25E91.9Very high83.1Confident52 Ų5286.3 Ų86.324%0.24347%0.469CS..PPolyproline II helixtrans-59.3129.7179.4-174.3177.9177.200110.3F60 L65 N75 Q76E25-F60 HydrophobicContact CB-CE1 4.36Å; E25-F60 HydrophobicContact CB-CZ 4.1Å; E25-F60 HydrophobicContact CG-CE1 4.32Å; E25-F60 HydrophobicContact CG-CZ 4.06Å; E25-L65 VanDerWaalsContact O-CD2 3.28Å; E25-L65 WeakPolarHBondContact O-CD2 3.34Å; E25-N75 VanDerWaalsContact OE2-CA 3.28Å; E25-N75 WeakPolarHBondContact OE2-CA 3.18Å; E25-Q76 WeakPolarHBondContact OE1-CB 3.04Å; E25-Q76 WeakPolarHBondContact OE1-CG 3.47Å; E25-Q76 PolarHBondContact OE1-N 2.03Å; E25-Q76 PolarHBondContact OE1-NE2 2.88Å; E25-Q76 PolarHBondContact OE2-N 3.41Å
26K94.1Very high85.1Confident179 Ų17986 Ų8678%0.77847%0.465SS*.PPolyproline II helixtrans-85.6134.5172.8-67.1-177.4179.7179.20109.6T24 N28 Q76T24-K26 PolarHBondContact O-N 2.92Å; K26-N28 PolarHBondContact O-N 2.88Å; K26-Q76 PolarHBondContact O-NE2 3.27Å; K26-Q76 VanDerWaalsContact O-NE2 3.11Å
27F95.2Very high86.9Confident22 Ų2287 Ų8710%0.09646%0.459CS..PPolyproline II helixtrans-54.8132.2172.3-175.8-109.2000110.8I29 L32 F53 W56 E57 F60 F80F27-I29 HydrophobicContact CE1-CB 4.26Å; F27-I29 HydrophobicContact CZ-CB 4.45Å; F27-I29 HydrophobicContact CZ-CD1 4.11Å; F27-L32 HydrophobicContact CE2-CD1 3.74Å; F27-L32 HydrophobicContact CZ-CD1 4.03Å; F27-F53 HydrophobicContact CD1-CE2 4.18Å; F27-F53 HydrophobicContact CD1-CZ 4.26Å; F27-F53 AromaticContact CE1-CD2 3.93Å; F27-F53 HydrophobicContact CE1-CD2 3.93Å; F27-F53 AromaticContact CE1-CE2 3.5Å; F27-F53 HydrophobicContact CE1-CE2 3.5Å; F27-F53 VanDerWaalsContact CE1-CE2 3.5Å; F27-F53 AromaticContact CE1-CZ 3.94Å; F27-F53 HydrophobicContact CE1-CZ 3.94Å; F27-W56 HydrophobicContact CE2-CB 4.33Å; F27-W56 HydrophobicContact CZ-CB 3.97Å; F27-E57 HydrophobicContact CB-CG 4.2Å; F27-E57 HydrophobicContact CD1-CB 3.55Å; F27-E57 HydrophobicContact CD1-CG 3.71Å; F27-E57 HydrophobicContact CE1-CB 3.7Å; F27-E57 HydrophobicContact CE1-CG 4.35Å; F27-E57 HydrophobicContact CG-CB 4.12Å; F27-E57 HydrophobicContact CG-CG 4.11Å; F27-E57 HydrophobicContact CZ-CB 4.39Å; F27-F60 HydrophobicContact CB-CD1 3.83Å; F27-F60 HydrophobicContact CB-CE1 4.48Å; F27-F60 HydrophobicContact CD2-CB 3.71Å; F27-F60 AromaticContact CD2-CD1 3.92Å; F27-F60 HydrophobicContact CD2-CD1 3.92Å; F27-F60 AromaticContact CD2-CG 3.89Å; F27-F60 HydrophobicContact CD2-CG 3.89Å; F27-F60 HydrophobicContact CE2-CB 4.28Å; F27-F60 HydrophobicContact CG-CD1 4.36Å; F27-F80 HydrophobicContact CD2-CE2 4.33Å; F27-F80 AromaticContact CE2-CE2 3.7Å; F27-F80 HydrophobicContact CE2-CE2 3.7Å; F27-F80 AromaticContact CE2-CZ 3.9Å; F27-F80 HydrophobicContact CE2-CZ 3.9Å
28N96Very high88.5Confident63 Ų6381.5 Ų81.534%0.33744%0.438SS..  trans-145.797.6179.7-177-4.1000110.5K26 T30 L31 Q76K26-N28 PolarHBondContact O-N 2.88Å; N28-T30 VanDerWaalsContact CG-OG1 3.26Å; N28-T30 PolarHBondContact ND2-OG1 3.38Å; N28-T30 PolarHBondContact O-N 3.32Å; N28-T30 WeakPolarHBondContact OD1-CB 3.24Å; N28-T30 PolarHBondContact OD1-N 3.21Å; N28-T30 PolarHBondContact OD1-OG1 2.73Å; N28-L31 HydrophobicContact CB-CD1 4.09Å; N28-L31 HydrophobicContact CB-CG 4.14Å; N28-L31 WeakPolarHBondContact O-CB 3.45Å; N28-L31 PolarHBondContact O-N 2.91Å; N28-Q76 PolarHBondContact O-OE1 2.92Å
29I94.4Very high90Very high46 Ų4672.8 Ų72.824%0.23641%0.405CS..G310 helixtrans-55.6-26.4179.7-167.466.4000114.2F27 L31 L32 L36 F53 W56F27-I29 HydrophobicContact CE1-CB 4.26Å; F27-I29 HydrophobicContact CZ-CB 4.45Å; F27-I29 HydrophobicContact CZ-CD1 4.11Å; I29-L31 PolarHBondContact O-N 2.87Å; I29-L32 HydrophobicContact CD1-CB 4.41Å; I29-L32 HydrophobicContact CD1-CD1 4.1Å; I29-L32 WeakPolarHBondContact O-CB 3.34Å; I29-L32 PolarHBondContact O-N 3.21Å; I29-L36 HydrophobicContact CD1-CD2 3.51Å; I29-L36 HydrophobicContact CG1-CD2 4.08Å; I29-F53 HydrophobicContact CB-CD2 3.85Å; I29-F53 HydrophobicContact CB-CE2 3.63Å; I29-F53 HydrophobicContact CD1-CD2 4.06Å; I29-F53 HydrophobicContact CG1-CD2 3.86Å; I29-F53 HydrophobicContact CG1-CE2 4.19Å; I29-F53 HydrophobicContact CG2-CD2 4.13Å; I29-F53 HydrophobicContact CG2-CE2 3.67Å; I29-W56 HydrophobicContact CD1-CE3 3.88Å; I29-W56 HydrophobicContact CD1-CZ3 4.07Å
30T95.9Very high91.1Very high96 Ų9675.6 Ų75.659%0.58941%0.413SS*.G310 helixtrans-64.8-29.1179.767.60000112.1N28 L32 K33N28-T30 VanDerWaalsContact CG-OG1 3.26Å; N28-T30 PolarHBondContact ND2-OG1 3.38Å; N28-T30 PolarHBondContact O-N 3.32Å; N28-T30 WeakPolarHBondContact OD1-CB 3.24Å; N28-T30 PolarHBondContact OD1-N 3.21Å; N28-T30 PolarHBondContact OD1-OG1 2.73Å; T30-L32 PolarHBondContact O-N 3.41Å; T30-K33 WeakPolarHBondContact O-CB 3.32Å; T30-K33 PolarHBondContact O-N 2.87Å
31L96Very high91.7Very high94 Ų9474.9 Ų74.949%0.49240%0.402SS..G310 helixtrans-72.2-18.7175.3-58.3-178.3000112.6N28 I29 Q76 T77N28-L31 HydrophobicContact CB-CD1 4.09Å; N28-L31 HydrophobicContact CB-CG 4.14Å; N28-L31 WeakPolarHBondContact O-CB 3.45Å; N28-L31 PolarHBondContact O-N 2.91Å; I29-L31 PolarHBondContact O-N 2.87Å; L31-Q76 HydrophobicContact CD1-CG 4.47Å; L31-T77 PolarHBondContact O-OG1 3.45Å
32L95.8Very high91.9Very high0 Ų075.1 Ų75.10%040%0.4CS..G310 helixtrans-92.10.8-178.6-52.6-176.9000112.8F27 I29 T30 G34 I35 L36 M39 Q76 F80F27-L32 HydrophobicContact CE2-CD1 3.74Å; F27-L32 HydrophobicContact CZ-CD1 4.03Å; I29-L32 HydrophobicContact CD1-CB 4.41Å; I29-L32 HydrophobicContact CD1-CD1 4.1Å; I29-L32 WeakPolarHBondContact O-CB 3.34Å; I29-L32 PolarHBondContact O-N 3.21Å; T30-L32 PolarHBondContact O-N 3.41Å; L32-G34 PolarHBondContact O-N 3.41Å; L32-I35 HydrophobicContact CB-CG1 4.2Å; L32-I35 HydrophobicContact CD2-CD1 4.16Å; L32-I35 VanDerWaalsContact O-CG1 3.25Å; L32-I35 WeakPolarHBondContact O-CG1 3.3Å; L32-I35 PolarHBondContact O-N 2.93Å; L32-L36 HydrophobicContact CB-CD2 4.21Å; L32-L36 WeakPolarHBondContact O-CG 3.25Å; L32-L36 PolarHBondContact O-N 2.98Å; L32-L36 VanDerWaalsContact O-N 3.14Å; L32-M39 HydrophobicContact CB-SD 4.27Å; L32-M39 HydrophobicContact CD1-CE 4.03Å; L32-M39 HydrophobicContact CD1-SD 4.05Å; L32-Q76 HydrophobicContact CD2-CG 4.1Å; L32-F80 HydrophobicContact CD1-CD2 3.58Å; L32-F80 HydrophobicContact CD1-CE2 3.62Å; L32-F80 HydrophobicContact CD1-CG 4.43Å; L32-F80 HydrophobicContact CD1-CZ 4.44Å; L32-F80 HydrophobicContact CD2-CD2 3.78Å; L32-F80 HydrophobicContact CD2-CE2 4.45Å; L32-F80 HydrophobicContact CG-CD2 4.37Å
33K94.7Very high92.2Very high172 Ų17270.4 Ų70.475%0.74837%0.371SS*.G310 helixtrans-47.4-42.1-174.5-173.3-179.5179.4-177.80113.4T30 I35T30-K33 WeakPolarHBondContact O-CB 3.32Å; T30-K33 PolarHBondContact O-N 2.87Å; K33-I35 PolarHBondContact O-N 3.48Å
34G95.3Very high92.5Very high82 Ų8270.4 Ų70.485%0.84537%0.368SS*.G310 helixtrans-71.2-10.7-178.700000115.5L32L32-G34 PolarHBondContact O-N 3.41Å
35I95.3Very high92.4Very high17 Ų1764.4 Ų64.49%0.08733%0.331CS..G310 helixtrans-126.24.7-178.662.6170.8000113.3L32 K33 E37 D38 M39 T77 F80 K81L32-I35 HydrophobicContact CB-CG1 4.2Å; L32-I35 HydrophobicContact CD2-CD1 4.16Å; L32-I35 VanDerWaalsContact O-CG1 3.25Å; L32-I35 WeakPolarHBondContact O-CG1 3.3Å; L32-I35 PolarHBondContact O-N 2.93Å; K33-I35 PolarHBondContact O-N 3.48Å; I35-E37 VanDerWaalsContact C-N 3.35Å; I35-E37 PolarHBondContact O-N 3.38Å; I35-D38 PolarHBondContact O-N 3.47Å; I35-M39 HydrophobicContact CD1-CG 4.3Å; I35-M39 HydrophobicContact CD1-SD 3.72Å; I35-M39 HydrophobicContact CG1-CG 4.25Å; I35-M39 HydrophobicContact CG1-SD 3.76Å; I35-M39 VanDerWaalsContact O-CG 3.31Å; I35-M39 WeakPolarHBondContact O-CG 3.37Å; I35-M39 PolarHBondContact O-N 2.66Å; I35-T77 HydrophobicContact CD1-CG2 4.46Å; I35-F80 HydrophobicContact CD1-CB 3.71Å; I35-K81 HydrophobicContact CD1-CG 4.03Å; I35-K81 HydrophobicContact CG2-CD 4.41Å; I35-K81 HydrophobicContact CG2-CG 3.92Å
36L93.6Very high91.7Very high40 Ų4065.7 Ų65.721%0.20934%0.339CS..Hα-helixtrans-58-42-175.5-75.8177.5000113.4I29 L32 M39 K40 W56I29-L36 HydrophobicContact CD1-CD2 3.51Å; I29-L36 HydrophobicContact CG1-CD2 4.08Å; L32-L36 HydrophobicContact CB-CD2 4.21Å; L32-L36 WeakPolarHBondContact O-CG 3.25Å; L32-L36 PolarHBondContact O-N 2.98Å; L32-L36 VanDerWaalsContact O-N 3.14Å; L36-M39 PolarHBondContact O-N 2.98Å; L36-K40 WeakPolarHBondContact O-CG 3.37Å; L36-K40 PolarHBondContact O-N 3.22Å; L36-W56 HydrophobicContact CD2-CZ3 3.95Å
37E92.3Very high91Very high126 Ų12662.8 Ų62.859%0.58934%0.341SS*.Hα-helixtrans-68.6-39.3-179.2-64.9-52.1123.600111.8I35 M39 K40 K41I35-E37 VanDerWaalsContact C-N 3.35Å; I35-E37 PolarHBondContact O-N 3.38Å; E37-M39 VanDerWaalsContact C-N 3.35Å; E37-K40 PolarHBondContact O-N 2.92Å; E37-K40 IonicContact OE1-NZ 2.8Å; E37-K40 PolarHBondContact OE1-NZ 3.26Å; E37-K41 WeakPolarHBondContact O-CB 3.45Å; E37-K41 PolarHBondContact O-N 3.34Å
38D92.1Very high90.2Very high62 Ų6265 Ų6533%0.33236%0.355SS..Hα-helixtrans-63-42.8172.2-9415.7000111I35 K41 H42 L84 K88I35-D38 PolarHBondContact O-N 3.47Å; D38-K41 PolarHBondContact O-N 3.24Å; D38-H42 WeakPolarHBondContact O-CB 3.5Å; D38-H42 PolarHBondContact O-N 3.39Å; D38-L84 HydrophobicContact CB-CD1 4.01Å; D38-K88 IonicContact OD2-NZ 3.8Å; D38-K88 PolarHBondContact OD2-NZ 2.79Å
39M91.5Very high89.2Confident0 Ų066.1 Ų66.10%036%0.36CS..Hα-helixtrans-63.9-44.7176.2-68.3178.964.300112.1L32 I35 L36 E37 K41 W43 W56 F80 L84L32-M39 HydrophobicContact CB-SD 4.27Å; L32-M39 HydrophobicContact CD1-CE 4.03Å; L32-M39 HydrophobicContact CD1-SD 4.05Å; I35-M39 HydrophobicContact CD1-CG 4.3Å; I35-M39 HydrophobicContact CD1-SD 3.72Å; I35-M39 HydrophobicContact CG1-CG 4.25Å; I35-M39 HydrophobicContact CG1-SD 3.76Å; I35-M39 VanDerWaalsContact O-CG 3.31Å; I35-M39 WeakPolarHBondContact O-CG 3.37Å; I35-M39 PolarHBondContact O-N 2.66Å; L36-M39 PolarHBondContact O-N 2.98Å; E37-M39 VanDerWaalsContact C-N 3.35Å; M39-K41 VanDerWaalsContact C-N 3.27Å; M39-K41 PolarHBondContact O-N 3.34Å; M39-W43 CarbonylContact O-C 3.44Å; M39-W43 VanDerWaalsContact O-CA 3.25Å; M39-W43 WeakPolarHBondContact O-CA 3.47Å; M39-W43 PolarHBondContact O-N 2.87Å; M39-W56 HydrophobicContact CB-CH2 3.74Å; M39-W56 HydrophobicContact CB-CZ2 3.5Å; M39-W56 VanDerWaalsContact CB-CZ2 3.5Å; M39-W56 HydrophobicContact CB-CZ3 4.49Å; M39-W56 HydrophobicContact CE-CB 4.27Å; M39-W56 HydrophobicContact CE-CD2 3.46Å; M39-W56 VanDerWaalsContact CE-CD2 3.46Å; M39-W56 HydrophobicContact CE-CE3 3.81Å; M39-W56 HydrophobicContact CE-CG 3.67Å; M39-W56 HydrophobicContact CE-CH2 4.46Å; M39-W56 HydrophobicContact CE-CZ2 4.21Å; M39-W56 HydrophobicContact CE-CZ3 4.29Å; M39-F80 HydrophobicContact CE-CB 4.14Å; M39-F80 HydrophobicContact CE-CD1 3.29Å; M39-F80 HydrophobicContact CE-CD2 4.05Å; M39-F80 HydrophobicContact CE-CE1 3.56Å; M39-F80 HydrophobicContact CE-CE2 4.32Å; M39-F80 HydrophobicContact CE-CG 3.55Å; M39-F80 HydrophobicContact CE-CZ 4.08Å; M39-F80 HydrophobicContact SD-CB 3.93Å; M39-F80 HydrophobicContact SD-CD1 4.22Å; M39-F80 HydrophobicContact SD-CD2 4.48Å; M39-F80 HydrophobicContact SD-CG 3.96Å; M39-L84 HydrophobicContact CG-CD1 3.86Å
40K89.5Confident88.4Confident103 Ų10369.6 Ų69.645%0.44839%0.388SS..Hα-helixtrans-58.6-40.6175.6-74.4173.1-174167.70111.8L36 E37 W56L36-K40 WeakPolarHBondContact O-CG 3.37Å; L36-K40 PolarHBondContact O-N 3.22Å; E37-K40 PolarHBondContact O-N 2.92Å; E37-K40 IonicContact OE1-NZ 2.8Å; E37-K40 PolarHBondContact OE1-NZ 3.26Å; K40-W56 HydrophobicContact CG-CH2 3.92Å
41K87Confident87.7Confident134 Ų13467.7 Ų67.758%0.58338%0.379SS*.Hα-helixtrans-78.1-41.7-176-174.2176.5176.6-177.80113E37 D38 M39E37-K41 WeakPolarHBondContact O-CB 3.45Å; E37-K41 PolarHBondContact O-N 3.34Å; D38-K41 PolarHBondContact O-N 3.24Å; M39-K41 VanDerWaalsContact C-N 3.27Å; M39-K41 PolarHBondContact O-N 3.34Å
42H87.3Confident87.1Confident41 Ų4163.8 Ų63.819%0.1936%0.359CS..Hα-helixtrans-114.3-15.1-166.9-63.9-56.7000114D38 P44 L84 F87 V180D38-H42 WeakPolarHBondContact O-CB 3.5Å; D38-H42 PolarHBondContact O-N 3.39Å; H42-P44 VanDerWaalsContact C-CD 3.41Å; H42-L84 HydrophobicContact CB-CD2 3.72Å; H42-F87 HydrophobicContact CB-CD1 3.93Å; H42-F87 HydrophobicContact CB-CE1 3.89Å; H42-F87 AromaticContact CG-CE1 3.9Å; H42-F87 AromaticContact ND1-CE1 3.46Å; H42-F87 WeakPolarHBondContact ND1-CE1 3.35Å; H42-V180 WeakPolarHBondContact O-CG2 3.46Å
43W89.9Confident86.8Confident2 Ų267.2 Ų67.21%0.00837%0.374CS..SBendtrans-131.955.4173.6-160.7-19.8000111.3M39 F55 W56 Y79 F80 L84 V180M39-W43 CarbonylContact O-C 3.44Å; M39-W43 VanDerWaalsContact O-CA 3.25Å; M39-W43 WeakPolarHBondContact O-CA 3.47Å; M39-W43 PolarHBondContact O-N 2.87Å; W43-F55 AromaticContact CD1-CE1 3.62Å; W43-F55 AromaticContact NE1-CE1 3.61Å; W43-F55 AromaticContact NE1-CZ 3.88Å; W43-W56 PolarHBondContact O-NE1 3.16Å; W43-Y79 AromaticContact CH2-CE1 3.96Å; W43-Y79 HydrophobicContact CH2-CE1 3.96Å; W43-Y79 AromaticContact CH2-CZ 3.9Å; W43-F80 HydrophobicContact CD2-CD1 4.41Å; W43-F80 AromaticContact CE3-CD1 3.86Å; W43-F80 HydrophobicContact CE3-CD1 3.86Å; W43-F80 HydrophobicContact CH2-CD1 4.05Å; W43-F80 HydrophobicContact CH2-CE1 4.34Å; W43-F80 AromaticContact CZ3-CD1 3.67Å; W43-F80 HydrophobicContact CZ3-CD1 3.67Å; W43-F80 HydrophobicContact CZ3-CE1 4.37Å; W43-L84 HydrophobicContact CB-CD2 4.31Å; W43-V180 HydrophobicContact CG-CG1 4.14Å
44P86.9Confident86.6Confident18 Ų1863.3 Ų63.312%0.11737%0.365CS..  trans-73164.2-178.232.7-36.9000112.4H42 L46 L49H42-P44 VanDerWaalsContact C-CD 3.41Å; P44-L46 HydrophobicContact CG-CD2 4.34Å; P44-L49 HydrophobicContact CB-CD2 3.86Å; P44-L49 HydrophobicContact CG-CD2 4.48Å
45S84.9Confident86.4Confident4 Ų461.2 Ų61.23%0.02833%0.333CS..  trans-84.1118.51611720000109.8S47 N48 L49S45-S47 PolarHBondContact O-N 3Å; S45-S47 PolarHBondContact OG-OG 3.44Å; S45-N48 WeakPolarHBondContact CB-O 3.15Å; S45-N48 CarbonylContact O-C 3.5Å; S45-N48 VanDerWaalsContact O-C 3.24Å; S45-N48 PolarHBondContact O-N 2.9Å; S45-N48 PolarHBondContact OG-N 3.31Å; S45-L49 WeakPolarHBondContact O-CD2 3.46Å; S45-L49 PolarHBondContact O-N 3.18Å
46L78.2Confident86.3Confident78 Ų7860.7 Ų60.741%0.40833%0.33SS..SBendtrans-70.6-20.6-179.7-57.3-177.6000113.3P44 Q178P44-L46 HydrophobicContact CG-CD2 4.34Å; L46-Q178 HydrophobicContact CD2-CB 3.98Å; L46-Q178 HydrophobicContact CD2-CG 3.94Å
47S78.2Confident86.3Confident118 Ų11862.1 Ų62.183%0.82534%0.335SS*.SBendtrans-87-24.5175.455.80000112.8S45S45-S47 PolarHBondContact O-N 3Å; S45-S47 PolarHBondContact OG-OG 3.44Å
48N79.3Confident86.2Confident70 Ų7060.5 Ų60.537%0.37433%0.327SS..  trans-149.993.4178.4-173.2-13.5000111S45 S50 S51S45-N48 WeakPolarHBondContact CB-O 3.15Å; S45-N48 CarbonylContact O-C 3.5Å; S45-N48 VanDerWaalsContact O-C 3.24Å; S45-N48 PolarHBondContact O-N 2.9Å; S45-N48 PolarHBondContact OG-N 3.31Å; N48-S50 VanDerWaalsContact C-N 3.3Å; N48-S50 PolarHBondContact O-N 3.05Å; N48-S50 PolarHBondContact OD1-N 3Å; N48-S51 PolarHBondContact OD1-N 3.3Å; N48-S51 VanDerWaalsContact OD1-N 3.07Å
49L76.1Confident86.2Confident85 Ų8558.2 Ų58.245%0.44532%0.315SS..SBendtrans-68.6-29.4-179.5-64.3172.4000112.9P44 S45 N175P44-L49 HydrophobicContact CB-CD2 3.86Å; P44-L49 HydrophobicContact CG-CD2 4.48Å; S45-L49 WeakPolarHBondContact O-CD2 3.46Å; S45-L49 PolarHBondContact O-N 3.18Å; L49-N175 WeakPolarHBondContact CD1-ND2 3.41Å
50S77.1Confident86.2Confident120 Ų12058.2 Ų58.284%0.83932%0.315SS*.SBendtrans-76.4-26.5-175.9-54.60000112.9N48N48-S50 VanDerWaalsContact C-N 3.3Å; N48-S50 PolarHBondContact O-N 3.05Å; N48-S50 PolarHBondContact OD1-N 3Å
51S80Confident86.3Confident56 Ų5656.9 Ų56.939%0.39231%0.312SS..  trans-140.482.9-179.9-169.30000111.5N48 F53N48-S51 PolarHBondContact OD1-N 3.3Å; N48-S51 VanDerWaalsContact OD1-N 3.07Å; S51-F53 VanDerWaalsContact C-N 3.26Å; S51-F53 PolarHBondContact O-N 3.38Å
52P84.5Confident86.2Confident12 Ų1254.2 Ų54.28%0.07830%0.301CS..  trans-81.5-0.9178.634.5-37.9000113.6T54 F55 W56P52-T54 PolarHBondContact O-N 3.34Å; P52-F55 WeakPolarHBondContact O-CB 3.37Å; P52-F55 PolarHBondContact O-N 2.88Å; P52-F55 VanDerWaalsContact O-N 3.16Å; P52-W56 HydrophobicContact CB-CD2 4.15Å; P52-W56 HydrophobicContact CB-CH2 4.09Å; P52-W56 HydrophobicContact CB-CZ2 3.62Å; P52-W56 HydrophobicContact CB-CZ3 4.5Å; P52-W56 HydrophobicContact CG-CD2 4.35Å; P52-W56 HydrophobicContact CG-CE3 4.28Å; P52-W56 HydrophobicContact CG-CH2 3.36Å; P52-W56 HydrophobicContact CG-CZ2 3.38Å; P52-W56 HydrophobicContact CG-CZ3 3.82Å; P52-W56 PolarHBondContact O-N 3.33Å
53F89.9Confident86.2Confident72 Ų7252.8 Ų52.832%0.31629%0.294SS..Hα-helixtrans-56.8-50.7-174.6168.1-89000112.8F27 I29 S51 F55 W56 E57F27-F53 HydrophobicContact CD1-CE2 4.18Å; F27-F53 HydrophobicContact CD1-CZ 4.26Å; F27-F53 AromaticContact CE1-CD2 3.93Å; F27-F53 HydrophobicContact CE1-CD2 3.93Å; F27-F53 AromaticContact CE1-CE2 3.5Å; F27-F53 HydrophobicContact CE1-CE2 3.5Å; F27-F53 VanDerWaalsContact CE1-CE2 3.5Å; F27-F53 AromaticContact CE1-CZ 3.94Å; F27-F53 HydrophobicContact CE1-CZ 3.94Å; I29-F53 HydrophobicContact CB-CD2 3.85Å; I29-F53 HydrophobicContact CB-CE2 3.63Å; I29-F53 HydrophobicContact CD1-CD2 4.06Å; I29-F53 HydrophobicContact CG1-CD2 3.86Å; I29-F53 HydrophobicContact CG1-CE2 4.19Å; I29-F53 HydrophobicContact CG2-CD2 4.13Å; I29-F53 HydrophobicContact CG2-CE2 3.67Å; S51-F53 VanDerWaalsContact C-N 3.26Å; S51-F53 PolarHBondContact O-N 3.38Å; F53-F55 PolarHBondContact O-N 3.04Å; F53-W56 PolarHBondContact O-N 3.39Å; F53-W56 VanDerWaalsContact O-N 3.16Å; F53-E57 WeakPolarHBondContact O-CB 3.23Å; F53-E57 PolarHBondContact O-N 3.08Å
54T90.5Very high86.2Confident90 Ų9052.7 Ų52.755%0.55229%0.294SS*.Hα-helixtrans-64.9-30.2-178.553.20000111.7P52 H58P52-T54 PolarHBondContact O-N 3.34Å; T54-H58 WeakPolarHBondContact O-CB 3.23Å; T54-H58 PolarHBondContact O-N 2.92Å
55F90.4Very high86.3Confident38 Ų3853.8 Ų53.817%0.16730%0.299CS..Hα-helixtrans-68.8-48.7172.9169.3-107.3000111.1W43 P52 F53 E57 H58 E59W43-F55 AromaticContact CD1-CE1 3.62Å; W43-F55 AromaticContact NE1-CE1 3.61Å; W43-F55 AromaticContact NE1-CZ 3.88Å; P52-F55 WeakPolarHBondContact O-CB 3.37Å; P52-F55 PolarHBondContact O-N 2.88Å; P52-F55 VanDerWaalsContact O-N 3.16Å; F53-F55 PolarHBondContact O-N 3.04Å; F55-E57 VanDerWaalsContact C-N 3.34Å; F55-E57 PolarHBondContact O-N 3.31Å; F55-H58 WeakPolarHBondContact O-CB 3.13Å; F55-H58 PolarHBondContact O-N 3.42Å; F55-H58 VanDerWaalsContact O-N 3.16Å; F55-E59 HydrophobicContact CD2-CG 4.07Å; F55-E59 HydrophobicContact CE1-CG 4.13Å; F55-E59 HydrophobicContact CE2-CG 3.63Å; F55-E59 VanDerWaalsContact CE2-OE1 3.26Å; F55-E59 WeakPolarHBondContact CE2-OE1 3.23Å; F55-E59 HydrophobicContact CZ-CG 3.67Å; F55-E59 WeakPolarHBondContact O-CG 3.37Å; F55-E59 PolarHBondContact O-N 3.27Å
56W93.4Very high86.5Confident6 Ų655 Ų552%0.02331%0.306CS..Hα-helixtrans-63.1-39.6177.3-61.5-31.7000113.2F27 I29 L36 M39 K40 W43 P52 F53 H58 E59 F60 F80F27-W56 HydrophobicContact CE2-CB 4.33Å; F27-W56 HydrophobicContact CZ-CB 3.97Å; I29-W56 HydrophobicContact CD1-CE3 3.88Å; I29-W56 HydrophobicContact CD1-CZ3 4.07Å; L36-W56 HydrophobicContact CD2-CZ3 3.95Å; M39-W56 HydrophobicContact CB-CH2 3.74Å; M39-W56 HydrophobicContact CB-CZ2 3.5Å; M39-W56 VanDerWaalsContact CB-CZ2 3.5Å; M39-W56 HydrophobicContact CB-CZ3 4.49Å; M39-W56 HydrophobicContact CE-CB 4.27Å; M39-W56 HydrophobicContact CE-CD2 3.46Å; M39-W56 VanDerWaalsContact CE-CD2 3.46Å; M39-W56 HydrophobicContact CE-CE3 3.81Å; M39-W56 HydrophobicContact CE-CG 3.67Å; M39-W56 HydrophobicContact CE-CH2 4.46Å; M39-W56 HydrophobicContact CE-CZ2 4.21Å; M39-W56 HydrophobicContact CE-CZ3 4.29Å; K40-W56 HydrophobicContact CG-CH2 3.92Å; W43-W56 PolarHBondContact O-NE1 3.16Å; P52-W56 HydrophobicContact CB-CD2 4.15Å; P52-W56 HydrophobicContact CB-CH2 4.09Å; P52-W56 HydrophobicContact CB-CZ2 3.62Å; P52-W56 HydrophobicContact CB-CZ3 4.5Å; P52-W56 HydrophobicContact CG-CD2 4.35Å; P52-W56 HydrophobicContact CG-CE3 4.28Å; P52-W56 HydrophobicContact CG-CH2 3.36Å; P52-W56 HydrophobicContact CG-CZ2 3.38Å; P52-W56 HydrophobicContact CG-CZ3 3.82Å; P52-W56 PolarHBondContact O-N 3.33Å; F53-W56 PolarHBondContact O-N 3.39Å; F53-W56 VanDerWaalsContact O-N 3.16Å; W56-H58 VanDerWaalsContact C-N 3.33Å; W56-H58 PolarHBondContact O-N 3.34Å; W56-E59 PolarHBondContact O-N 3.48Å; W56-F60 WeakPolarHBondContact O-CB 3.41Å; W56-F60 PolarHBondContact O-N 3.02Å; W56-F80 HydrophobicContact CB-CE1 4.1Å; W56-F80 HydrophobicContact CB-CZ 3.95Å; W56-F80 HydrophobicContact CG-CE1 4.32Å
57E93.7Very high87Confident69 Ų6951.4 Ų51.432%0.32229%0.288SS..Hα-helixtrans-59.1-45.5172.9-179.4172-135.900111F27 F53 F55 F60 N61F27-E57 HydrophobicContact CB-CG 4.2Å; F27-E57 HydrophobicContact CD1-CB 3.55Å; F27-E57 HydrophobicContact CD1-CG 3.71Å; F27-E57 HydrophobicContact CE1-CB 3.7Å; F27-E57 HydrophobicContact CE1-CG 4.35Å; F27-E57 HydrophobicContact CG-CB 4.12Å; F27-E57 HydrophobicContact CG-CG 4.11Å; F27-E57 HydrophobicContact CZ-CB 4.39Å; F53-E57 WeakPolarHBondContact O-CB 3.23Å; F53-E57 PolarHBondContact O-N 3.08Å; F55-E57 VanDerWaalsContact C-N 3.34Å; F55-E57 PolarHBondContact O-N 3.31Å; E57-F60 PolarHBondContact O-N 3.17Å; E57-N61 WeakPolarHBondContact CG-ND2 3.33Å; E57-N61 VanDerWaalsContact O-CB 3.31Å; E57-N61 WeakPolarHBondContact O-CB 3.35Å; E57-N61 VanDerWaalsContact O-CG 3.23Å; E57-N61 PolarHBondContact O-N 2.57Å; E57-N61 PolarHBondContact O-ND2 3.31Å
58H90.8Very high87.6Confident93 Ų9346.7 Ų46.743%0.43126%0.255SS..Hα-helixtrans-59.4-49.7175.2-17980.2000112T54 F55 W56 F60 N61 K62T54-H58 WeakPolarHBondContact O-CB 3.23Å; T54-H58 PolarHBondContact O-N 2.92Å; F55-H58 WeakPolarHBondContact O-CB 3.13Å; F55-H58 PolarHBondContact O-N 3.42Å; F55-H58 VanDerWaalsContact O-N 3.16Å; W56-H58 VanDerWaalsContact C-N 3.33Å; W56-H58 PolarHBondContact O-N 3.34Å; H58-F60 VanDerWaalsContact C-N 3.34Å; H58-F60 PolarHBondContact O-N 3.02Å; H58-N61 PolarHBondContact O-N 3.13Å; H58-K62 WeakPolarHBondContact NE2-CD 3.48Å; H58-K62 WeakPolarHBondContact O-CB 3.4Å; H58-K62 PolarHBondContact O-N 3.13Å
59E91.3Very high88.1Confident14 Ų1447.6 Ų47.67%0.06526%0.257CS..Hα-helixtrans-62.7-40.7-179.3-65.5-51.9132.700111.5F55 W56 H63 G64 Y79 S182F55-E59 HydrophobicContact CD2-CG 4.07Å; F55-E59 HydrophobicContact CE1-CG 4.13Å; F55-E59 HydrophobicContact CE2-CG 3.63Å; F55-E59 VanDerWaalsContact CE2-OE1 3.26Å; F55-E59 WeakPolarHBondContact CE2-OE1 3.23Å; F55-E59 HydrophobicContact CZ-CG 3.67Å; F55-E59 WeakPolarHBondContact O-CG 3.37Å; F55-E59 PolarHBondContact O-N 3.27Å; W56-E59 PolarHBondContact O-N 3.48Å; E59-H63 WeakPolarHBondContact O-CA 3.4Å; E59-H63 WeakPolarHBondContact O-CB 3.49Å; E59-H63 PolarHBondContact O-N 2.77Å; E59-H63 IonicContact OE2-CD2 2.77Å; E59-H63 PolarHBondContact OE2-CD2 3.4Å; E59-G64 PolarHBondContact O-N 2.91Å; E59-Y79 PolarHBondContact O-OH 3.34Å; E59-S182 VanDerWaalsContact OE2-CB 3.27Å; E59-S182 WeakPolarHBondContact OE2-CB 3.45Å
60F92.3Very high88.7Confident0 Ų044.9 Ų44.90%024%0.243CC..Iπ-helixtrans-67.3-48.8176.6-176.6-101.9000112.2E25 F27 W56 E57 H58 K62 G64 L65 V68 Q76 Y79 F80E25-F60 HydrophobicContact CB-CE1 4.36Å; E25-F60 HydrophobicContact CB-CZ 4.1Å; E25-F60 HydrophobicContact CG-CE1 4.32Å; E25-F60 HydrophobicContact CG-CZ 4.06Å; F27-F60 HydrophobicContact CB-CD1 3.83Å; F27-F60 HydrophobicContact CB-CE1 4.48Å; F27-F60 HydrophobicContact CD2-CB 3.71Å; F27-F60 AromaticContact CD2-CD1 3.92Å; F27-F60 HydrophobicContact CD2-CD1 3.92Å; F27-F60 AromaticContact CD2-CG 3.89Å; F27-F60 HydrophobicContact CD2-CG 3.89Å; F27-F60 HydrophobicContact CE2-CB 4.28Å; F27-F60 HydrophobicContact CG-CD1 4.36Å; W56-F60 WeakPolarHBondContact O-CB 3.41Å; W56-F60 PolarHBondContact O-N 3.02Å; E57-F60 PolarHBondContact O-N 3.17Å; H58-F60 VanDerWaalsContact C-N 3.34Å; H58-F60 PolarHBondContact O-N 3.02Å; F60-K62 PolarHBondContact O-N 2.9Å; F60-G64 CarbonylContact O-C 3.57Å; F60-G64 WeakPolarHBondContact O-CA 3.33Å; F60-G64 PolarHBondContact O-N 3.37Å; F60-L65 HydrophobicContact CE1-CD2 4.01Å; F60-L65 HydrophobicContact CZ-CD2 4.31Å; F60-L65 PolarHBondContact O-N 3.3Å; F60-V68 HydrophobicContact CE2-CG1 3.81Å; F60-V68 HydrophobicContact CZ-CG1 4.03Å; F60-Q76 HydrophobicContact CD2-CB 3.75Å; F60-Q76 HydrophobicContact CE1-CB 4.2Å; F60-Q76 VanDerWaalsContact CE2-CA 3.42Å; F60-Q76 HydrophobicContact CE2-CB 3.28Å; F60-Q76 HydrophobicContact CG-CB 4.41Å; F60-Q76 HydrophobicContact CZ-CB 3.52Å; F60-Y79 AromaticContact CD2-CD1 3.77Å; F60-Y79 HydrophobicContact CD2-CD1 3.77Å; F60-Y79 HydrophobicContact CD2-CE1 4.23Å; F60-Y79 HydrophobicContact CD2-CG 4.31Å; F60-Y79 HydrophobicContact CE2-CD1 4.5Å; F60-F80 HydrophobicContact CB-CE2 4.19Å; F60-F80 HydrophobicContact CB-CZ 3.99Å; F60-F80 HydrophobicContact CD2-CE2 4.25Å; F60-F80 HydrophobicContact CG-CE2 4.49Å
61N90.6Very high89.3Confident74 Ų7443.7 Ų43.740%0.39623%0.232SC..Iπ-helixtrans-65-28.9-178.8-71.5-22.9000112.4E57 H58 L65E57-N61 WeakPolarHBondContact CG-ND2 3.33Å; E57-N61 VanDerWaalsContact O-CB 3.31Å; E57-N61 WeakPolarHBondContact O-CB 3.35Å; E57-N61 VanDerWaalsContact O-CG 3.23Å; E57-N61 PolarHBondContact O-N 2.57Å; E57-N61 PolarHBondContact O-ND2 3.31Å; H58-N61 PolarHBondContact O-N 3.13Å; N61-L65 WeakPolarHBondContact O-CD1 3.43Å
62K85.3Confident89.7Confident78 Ų7846.8 Ų46.834%0.33924%0.243SC..Iπ-helixtrans-90.2-34.9-178.7-168.7179.5168.1-167.30113.6H58 F60H58-K62 WeakPolarHBondContact NE2-CD 3.48Å; H58-K62 WeakPolarHBondContact O-CB 3.4Å; H58-K62 PolarHBondContact O-N 3.13Å; F60-K62 PolarHBondContact O-N 2.9Å
63H86.8Confident90Very high12 Ų1246.4 Ų46.46%0.05624%0.241CC..Iπ-helixtrans-124.6-40.5-171.7-58.3-56.8000112.9E59 L65 C66 A67 Y184E59-H63 WeakPolarHBondContact O-CA 3.4Å; E59-H63 WeakPolarHBondContact O-CB 3.49Å; E59-H63 PolarHBondContact O-N 2.77Å; E59-H63 IonicContact OE2-CD2 2.77Å; E59-H63 PolarHBondContact OE2-CD2 3.4Å; H63-L65 VanDerWaalsContact C-N 3.33Å; H63-L65 PolarHBondContact O-N 3.35Å; H63-C66 PolarHBondContact O-N 3.13Å; H63-A67 PolarHBondContact O-N 3.25Å; H63-Y184 AromaticContact CD2-CE1 3.93Å; H63-Y184 AromaticContact CE1-CD1 3.36Å; H63-Y184 WeakPolarHBondContact CE1-CD1 3.04Å; H63-Y184 AromaticContact CE1-CE1 3.27Å; H63-Y184 WeakPolarHBondContact CE1-CE1 2.97Å; H63-Y184 AromaticContact ND1-CD1 3.57Å; H63-Y184 AromaticContact ND1-CE1 3.95Å; H63-Y184 AromaticContact NE2-CD1 3.7Å; H63-Y184 AromaticContact NE2-CE1 3.26Å; H63-Y184 VanDerWaalsContact NE2-CE1 3.26Å; H63-Y184 WeakPolarHBondContact NE2-CE1 3.28Å
64G90.1Very high90Very high0 Ų048.7 Ų48.70%025%0.252CS..Iπ-helixtrans-58-36.6179.900000114.6E59 F60 C66 A67 V68E59-G64 PolarHBondContact O-N 2.91Å; F60-G64 CarbonylContact O-C 3.57Å; F60-G64 WeakPolarHBondContact O-CA 3.33Å; F60-G64 PolarHBondContact O-N 3.37Å; G64-C66 PolarHBondContact O-N 2.92Å; G64-C66 VanDerWaalsContact O-N 3.13Å; G64-A67 WeakPolarHBondContact O-CA 3.39Å; G64-A67 WeakPolarHBondContact O-CB 3.46Å; G64-A67 PolarHBondContact O-N 2.84Å; G64-V68 WeakPolarHBondContact O-CG1 3.16Å; G64-V68 PolarHBondContact O-N 2.98Å
65L89.3Confident90.2Very high41 Ų4147.7 Ų47.722%0.21524%0.244CC..Hα-helixtrans-59.6-26.6179.5-63.7-178.1000114.3E25 F60 N61 H63 V68 Q69E25-L65 VanDerWaalsContact O-CD2 3.28Å; E25-L65 WeakPolarHBondContact O-CD2 3.34Å; F60-L65 HydrophobicContact CE1-CD2 4.01Å; F60-L65 HydrophobicContact CZ-CD2 4.31Å; F60-L65 PolarHBondContact O-N 3.3Å; N61-L65 WeakPolarHBondContact O-CD1 3.43Å; H63-L65 VanDerWaalsContact C-N 3.33Å; H63-L65 PolarHBondContact O-N 3.35Å; L65-V68 WeakPolarHBondContact O-CG2 3.38Å; L65-Q69 PolarHBondContact O-NE2 3.43Å; L65-Q69 VanDerWaalsContact O-NE2 3.08Å
66C88.4Confident90.4Very high28 Ų2846 Ų4619%0.18924%0.236CC..Hα-helixtrans-78.2-47170.6-63.30000111C21 H63 G64 V68 Q69C21-C66 HydrophobicContact CB-CB 3.99Å; C21-C66 WeakPolarHBondContact CB-SG 3.32Å; C21-C66 WeakPolarHBondContact SG-CA 3.27Å; C21-C66 WeakPolarHBondContact SG-CB 3.15Å; C21-C66 CovalentContact SG-SG 2.02Å; C21-C66 PolarHBondContact SG-SG 3.27Å; H63-C66 PolarHBondContact O-N 3.13Å; G64-C66 PolarHBondContact O-N 2.92Å; G64-C66 VanDerWaalsContact O-N 3.13Å; C66-V68 VanDerWaalsContact C-N 3.27Å; C66-V68 PolarHBondContact O-N 2.82Å; C66-Q69 WeakPolarHBondContact O-CB 3.08Å; C66-Q69 PolarHBondContact O-N 2.91Å; C66-Q69 VanDerWaalsContact O-N 3.15Å
67A88.9Confident90.5Very high4 Ų447.1 Ų47.13%0.03324%0.244CC..Hα-helixtrans-58.7-36.5-178.700000112.6H63 G64 Q69 D70 V73 Y79 F185H63-A67 PolarHBondContact O-N 3.25Å; G64-A67 WeakPolarHBondContact O-CA 3.39Å; G64-A67 WeakPolarHBondContact O-CB 3.46Å; G64-A67 PolarHBondContact O-N 2.84Å; A67-Q69 PolarHBondContact O-N 3.35Å; A67-D70 WeakPolarHBondContact O-CB 3.4Å; A67-D70 PolarHBondContact O-N 2.8Å; A67-V73 HydrophobicContact CB-CG1 4.14Å; A67-V73 VanDerWaalsContact O-CB 3.31Å; A67-V73 WeakPolarHBondContact O-CB 3.38Å; A67-Y79 HydrophobicContact CB-CD2 3.53Å; A67-Y79 HydrophobicContact CB-CE2 4.15Å; A67-Y79 HydrophobicContact CB-CG 4.45Å; A67-F185 HydrophobicContact CB-CB 3.84Å; A67-F185 HydrophobicContact CB-CD2 4.06Å; A67-F185 HydrophobicContact CB-CG 3.98Å
68V90.7Very high90.5Very high19 Ų1944.6 Ų44.612%0.11524%0.236CC..THydrogen-bonded Turntrans-68.7-14.7-178.7-60.20000114.5F60 G64 L65 C66 N75F60-V68 HydrophobicContact CE2-CG1 3.81Å; F60-V68 HydrophobicContact CZ-CG1 4.03Å; G64-V68 WeakPolarHBondContact O-CG1 3.16Å; G64-V68 PolarHBondContact O-N 2.98Å; L65-V68 WeakPolarHBondContact O-CG2 3.38Å; C66-V68 VanDerWaalsContact C-N 3.27Å; C66-V68 PolarHBondContact O-N 2.82Å; V68-N75 VanDerWaalsContact CG1-C 3.46Å
69Q89.5Confident90.7Very high89 Ų8940.2 Ų40.242%0.41622%0.216SC..THydrogen-bonded Turntrans-77-15170.8-71.2164.674.200112.3C21 T22 L65 C66 A67 P71C21-Q69 VanDerWaalsContact CA-NE2 3.28Å; T22-Q69 VanDerWaalsContact N-NE2 3.17Å; T22-Q69 PolarHBondContact OG1-OE1 2.91Å; L65-Q69 PolarHBondContact O-NE2 3.43Å; L65-Q69 VanDerWaalsContact O-NE2 3.08Å; C66-Q69 WeakPolarHBondContact O-CB 3.08Å; C66-Q69 PolarHBondContact O-N 2.91Å; C66-Q69 VanDerWaalsContact O-N 3.15Å; A67-Q69 PolarHBondContact O-N 3.35Å; Q69-P71 WeakPolarHBondContact O-CD 3.16Å
70D88.9Confident90.9Very high28 Ų2839.5 Ų39.515%0.1521%0.213CC..SBendtrans-69125.6173.5-173.9-54.2000110.1A67 L72 V73 H74 H153A67-D70 WeakPolarHBondContact O-CB 3.4Å; A67-D70 PolarHBondContact O-N 2.8Å; D70-L72 PolarHBondContact O-N 3.39Å; D70-L72 WeakPolarHBondContact OD1-CA 3.45Å; D70-L72 WeakPolarHBondContact OD1-CB 3.18Å; D70-L72 PolarHBondContact OD1-N 3.12Å; D70-V73 HydrophobicContact CB-CB 4.07Å; D70-V73 HydrophobicContact CB-CG2 3.93Å; D70-V73 PolarHBondContact O-N 3.32Å; D70-V73 VanDerWaalsContact O-N 3.1Å; D70-H74 PolarHBondContact O-N 3.48Å; D70-H153 IonicContact OD1-CE1 2.51Å; D70-H153 IonicContact OD1-NE2 3.75Å; D70-H153 PolarHBondContact OD1-NE2 3.24Å; D70-H153 IonicContact OD2-CD2 3.76Å; D70-H153 IonicContact OD2-CE1 3.46Å; D70-H153 IonicContact OD2-NE2 3.85Å; D70-H153 PolarHBondContact OD2-NE2 3.31Å
71P89.7Confident91Very high95 Ų9545 Ų4562%0.61724%0.236SC*.THydrogen-bonded Turntrans-65.23.2178.4-22.434.3000116.5Q69 H74Q69-P71 WeakPolarHBondContact O-CD 3.16Å; P71-H74 WeakPolarHBondContact CA-CE1 3.36Å; P71-H74 WeakPolarHBondContact CA-ND1 3.34Å; P71-H74 PolarHBondContact O-CE1 2.92Å; P71-H74 PolarHBondContact O-NE2 2.9Å
72L87.9Confident91.1Very high121 Ų12143.4 Ų43.463%0.63423%0.226SC*.THydrogen-bonded Turntrans-113.9-18.4173.9-62.7175000111.6D70 H153D70-L72 PolarHBondContact O-N 3.39Å; D70-L72 WeakPolarHBondContact OD1-CA 3.45Å; D70-L72 WeakPolarHBondContact OD1-CB 3.18Å; D70-L72 PolarHBondContact OD1-N 3.12Å; L72-H153 VanDerWaalsContact CB-CE1 3.46Å; L72-H153 WeakPolarHBondContact CB-CE1 3.48Å
73V91.1Very high91.4Very high4 Ų439.7 Ų39.72%0.02421%0.21CC..THydrogen-bonded Turntrans-96.8-47.6179.3-179.90000110.9A67 D70 N75 G78 Y79 F82A67-V73 HydrophobicContact CB-CG1 4.14Å; A67-V73 VanDerWaalsContact O-CB 3.31Å; A67-V73 WeakPolarHBondContact O-CB 3.38Å; D70-V73 HydrophobicContact CB-CB 4.07Å; D70-V73 HydrophobicContact CB-CG2 3.93Å; D70-V73 PolarHBondContact O-N 3.32Å; D70-V73 VanDerWaalsContact O-N 3.1Å; V73-N75 PolarHBondContact O-N 2.87Å; V73-G78 WeakPolarHBondContact O-CA 3.45Å; V73-Y79 VanDerWaalsContact CG1-CA 3.48Å; V73-Y79 VanDerWaalsContact CG1-N 3.33Å; V73-F82 HydrophobicContact CG2-CD1 4.49Å
74H90.4Very high91.7Very high119 Ų11939.4 Ų39.455%0.55121%0.209SC*.  trans60.9-34.7170.9-63.4-46.3000120D70 P71D70-H74 PolarHBondContact O-N 3.48Å; P71-H74 WeakPolarHBondContact CA-CE1 3.36Å; P71-H74 WeakPolarHBondContact CA-ND1 3.34Å; P71-H74 PolarHBondContact O-CE1 2.92Å; P71-H74 PolarHBondContact O-NE2 2.9Å
75N94Very high91.9Very high70 Ų7043.8 Ų43.837%0.37423%0.229SC..SBendtrans-157.8172.6-173.958.759.5000111.6E25 V68 V73 T77 G78 Y79E25-N75 VanDerWaalsContact OE2-CA 3.28Å; E25-N75 WeakPolarHBondContact OE2-CA 3.18Å; V68-N75 VanDerWaalsContact CG1-C 3.46Å; V73-N75 PolarHBondContact O-N 2.87Å; N75-T77 VanDerWaalsContact C-N 3.3Å; N75-T77 PolarHBondContact O-N 3.06Å; N75-T77 WeakPolarHBondContact OD1-CA 3.36Å; N75-T77 WeakPolarHBondContact OD1-CB 3.12Å; N75-T77 PolarHBondContact OD1-N 3.12Å; N75-T77 VanDerWaalsContact OD1-N 3.09Å; N75-G78 PolarHBondContact O-N 3.05Å; N75-G78 VanDerWaalsContact O-N 3.11Å; N75-G78 PolarHBondContact OD1-N 2.7Å; N75-Y79 PolarHBondContact O-N 3.31Å
76Q94.8Very high92Very high2 Ų242.8 Ų42.81%0.00922%0.224CC..Hα-helixtrans-57.7-38.5-179.571.6-171.8-81.500114.2E25 K26 N28 L31 L32 F60 G78 Y79 F80E25-Q76 WeakPolarHBondContact OE1-CB 3.04Å; E25-Q76 WeakPolarHBondContact OE1-CG 3.47Å; E25-Q76 PolarHBondContact OE1-N 2.03Å; E25-Q76 PolarHBondContact OE1-NE2 2.88Å; E25-Q76 PolarHBondContact OE2-N 3.41Å; K26-Q76 PolarHBondContact O-NE2 3.27Å; K26-Q76 VanDerWaalsContact O-NE2 3.11Å; N28-Q76 PolarHBondContact O-OE1 2.92Å; L31-Q76 HydrophobicContact CD1-CG 4.47Å; L32-Q76 HydrophobicContact CD2-CG 4.1Å; F60-Q76 HydrophobicContact CD2-CB 3.75Å; F60-Q76 HydrophobicContact CE1-CB 4.2Å; F60-Q76 VanDerWaalsContact CE2-CA 3.42Å; F60-Q76 HydrophobicContact CE2-CB 3.28Å; F60-Q76 HydrophobicContact CG-CB 4.41Å; F60-Q76 HydrophobicContact CZ-CB 3.52Å; Q76-G78 VanDerWaalsContact C-N 3.33Å; Q76-G78 PolarHBondContact O-N 2.8Å; Q76-Y79 WeakPolarHBondContact O-CB 3.22Å; Q76-Y79 PolarHBondContact O-N 2.89Å; Q76-F80 WeakPolarHBondContact O-CD2 3.09Å; Q76-F80 PolarHBondContact O-N 3.23Å; Q76-F80 VanDerWaalsContact O-N 3.07Å
77T95.8Very high92Very high30 Ų3043.9 Ų43.918%0.18423%0.226CC..Hα-helixtrans-64.4-42177.7-59.90000110.5L31 I35 N75 K81L31-T77 PolarHBondContact O-OG1 3.45Å; I35-T77 HydrophobicContact CD1-CG2 4.46Å; N75-T77 VanDerWaalsContact C-N 3.3Å; N75-T77 PolarHBondContact O-N 3.06Å; N75-T77 WeakPolarHBondContact OD1-CA 3.36Å; N75-T77 WeakPolarHBondContact OD1-CB 3.12Å; N75-T77 PolarHBondContact OD1-N 3.12Å; N75-T77 VanDerWaalsContact OD1-N 3.09Å; T77-K81 HydrophobicContact CG2-CD 4.14Å; T77-K81 HydrophobicContact CG2-CG 4.47Å; T77-K81 VanDerWaalsContact O-CB 3.31Å; T77-K81 WeakPolarHBondContact O-CB 3.34Å; T77-K81 VanDerWaalsContact O-CG 3.31Å; T77-K81 WeakPolarHBondContact O-CG 3.09Å; T77-K81 PolarHBondContact O-N 3.03Å
78G94.7Very high92.1Very high16 Ų1647.8 Ų47.817%0.16524%0.242CC..Hα-helixtrans-61.8-43.417300000112.2V73 N75 Q76 F80 K81 F82V73-G78 WeakPolarHBondContact O-CA 3.45Å; N75-G78 PolarHBondContact O-N 3.05Å; N75-G78 VanDerWaalsContact O-N 3.11Å; N75-G78 PolarHBondContact OD1-N 2.7Å; Q76-G78 VanDerWaalsContact C-N 3.33Å; Q76-G78 PolarHBondContact O-N 2.8Å; G78-F80 PolarHBondContact O-N 2.79Å; G78-K81 PolarHBondContact O-N 2.83Å; G78-F82 WeakPolarHBondContact O-CB 3.41Å; G78-F82 PolarHBondContact O-N 3.41Å
79Y94.2Very high92.1Very high0 Ų051.7 Ų51.70%026%0.263CS..Hα-helixtrans-56.5-51.4177.5166.4-104.8000112.2W43 E59 F60 A67 V73 N75 Q76 F82 G83 F185W43-Y79 AromaticContact CH2-CE1 3.96Å; W43-Y79 HydrophobicContact CH2-CE1 3.96Å; W43-Y79 AromaticContact CH2-CZ 3.9Å; E59-Y79 PolarHBondContact O-OH 3.34Å; F60-Y79 AromaticContact CD2-CD1 3.77Å; F60-Y79 HydrophobicContact CD2-CD1 3.77Å; F60-Y79 HydrophobicContact CD2-CE1 4.23Å; F60-Y79 HydrophobicContact CD2-CG 4.31Å; F60-Y79 HydrophobicContact CE2-CD1 4.5Å; A67-Y79 HydrophobicContact CB-CD2 3.53Å; A67-Y79 HydrophobicContact CB-CE2 4.15Å; A67-Y79 HydrophobicContact CB-CG 4.45Å; V73-Y79 VanDerWaalsContact CG1-CA 3.48Å; V73-Y79 VanDerWaalsContact CG1-N 3.33Å; N75-Y79 PolarHBondContact O-N 3.31Å; Q76-Y79 WeakPolarHBondContact O-CB 3.22Å; Q76-Y79 PolarHBondContact O-N 2.89Å; Y79-F82 PolarHBondContact O-N 3.32Å; Y79-G83 PolarHBondContact O-N 3.34Å; Y79-F185 AromaticContact CD2-CD2 3.98Å; Y79-F185 HydrophobicContact CD2-CD2 3.98Å; Y79-F185 HydrophobicContact CD2-CE2 4.33Å; Y79-F185 AromaticContact CE2-CD2 3.77Å; Y79-F185 HydrophobicContact CE2-CD2 3.77Å; Y79-F185 HydrophobicContact CE2-CE2 4.23Å
80F94.5Very high92.2Very high0 Ų048 Ų480%025%0.247CC..Hα-helixtrans-69.5-41.1179.7-72-69.7000112.4F27 L32 I35 M39 W43 W56 F60 Q76 G78 F82 G83 L84F27-F80 HydrophobicContact CD2-CE2 4.33Å; F27-F80 AromaticContact CE2-CE2 3.7Å; F27-F80 HydrophobicContact CE2-CE2 3.7Å; F27-F80 AromaticContact CE2-CZ 3.9Å; F27-F80 HydrophobicContact CE2-CZ 3.9Å; L32-F80 HydrophobicContact CD1-CD2 3.58Å; L32-F80 HydrophobicContact CD1-CE2 3.62Å; L32-F80 HydrophobicContact CD1-CG 4.43Å; L32-F80 HydrophobicContact CD1-CZ 4.44Å; L32-F80 HydrophobicContact CD2-CD2 3.78Å; L32-F80 HydrophobicContact CD2-CE2 4.45Å; L32-F80 HydrophobicContact CG-CD2 4.37Å; I35-F80 HydrophobicContact CD1-CB 3.71Å; M39-F80 HydrophobicContact CE-CB 4.14Å; M39-F80 HydrophobicContact CE-CD1 3.29Å; M39-F80 HydrophobicContact CE-CD2 4.05Å; M39-F80 HydrophobicContact CE-CE1 3.56Å; M39-F80 HydrophobicContact CE-CE2 4.32Å; M39-F80 HydrophobicContact CE-CG 3.55Å; M39-F80 HydrophobicContact CE-CZ 4.08Å; M39-F80 HydrophobicContact SD-CB 3.93Å; M39-F80 HydrophobicContact SD-CD1 4.22Å; M39-F80 HydrophobicContact SD-CD2 4.48Å; M39-F80 HydrophobicContact SD-CG 3.96Å; W43-F80 HydrophobicContact CD2-CD1 4.41Å; W43-F80 AromaticContact CE3-CD1 3.86Å; W43-F80 HydrophobicContact CE3-CD1 3.86Å; W43-F80 HydrophobicContact CH2-CD1 4.05Å; W43-F80 HydrophobicContact CH2-CE1 4.34Å; W43-F80 AromaticContact CZ3-CD1 3.67Å; W43-F80 HydrophobicContact CZ3-CD1 3.67Å; W43-F80 HydrophobicContact CZ3-CE1 4.37Å; W56-F80 HydrophobicContact CB-CE1 4.1Å; W56-F80 HydrophobicContact CB-CZ 3.95Å; W56-F80 HydrophobicContact CG-CE1 4.32Å; F60-F80 HydrophobicContact CB-CE2 4.19Å; F60-F80 HydrophobicContact CB-CZ 3.99Å; F60-F80 HydrophobicContact CD2-CE2 4.25Å; F60-F80 HydrophobicContact CG-CE2 4.49Å; Q76-F80 WeakPolarHBondContact O-CD2 3.09Å; Q76-F80 PolarHBondContact O-N 3.23Å; Q76-F80 VanDerWaalsContact O-N 3.07Å; G78-F80 PolarHBondContact O-N 2.79Å; F80-F82 VanDerWaalsContact C-N 3.32Å; F80-F82 PolarHBondContact O-N 2.84Å; F80-G83 PolarHBondContact O-N 2.74Å; F80-L84 WeakPolarHBondContact O-CB 2.97Å; F80-L84 VanDerWaalsContact O-CG 3.25Å; F80-L84 WeakPolarHBondContact O-CG 3.39Å; F80-L84 PolarHBondContact O-N 3.36Å
81K94.7Very high92.2Very high115 Ų11550.1 Ų50.150%0.526%0.259SS..Hα-helixtrans-59.3-44.9175.2-81.7-177176.5-1770111.8I35 T77 G78 L84 Q85I35-K81 HydrophobicContact CD1-CG 4.03Å; I35-K81 HydrophobicContact CG2-CD 4.41Å; I35-K81 HydrophobicContact CG2-CG 3.92Å; T77-K81 HydrophobicContact CG2-CD 4.14Å; T77-K81 HydrophobicContact CG2-CG 4.47Å; T77-K81 VanDerWaalsContact O-CB 3.31Å; T77-K81 WeakPolarHBondContact O-CB 3.34Å; T77-K81 VanDerWaalsContact O-CG 3.31Å; T77-K81 WeakPolarHBondContact O-CG 3.09Å; T77-K81 PolarHBondContact O-N 3.03Å; G78-K81 PolarHBondContact O-N 2.83Å; K81-L84 PolarHBondContact O-N 3.37Å; K81-Q85 WeakPolarHBondContact O-CB 3.25Å; K81-Q85 PolarHBondContact O-N 3.43Å
82F93.4Very high92.3Very high40 Ų4046.8 Ų46.818%0.17524%0.235CC..Hα-helixtrans-65.1-44.3-179.3-171.7-106.6000111.1V73 G78 Y79 F80 L84 Q85 L86 L149 H153 F185V73-F82 HydrophobicContact CG2-CD1 4.49Å; G78-F82 WeakPolarHBondContact O-CB 3.41Å; G78-F82 PolarHBondContact O-N 3.41Å; Y79-F82 PolarHBondContact O-N 3.32Å; F80-F82 VanDerWaalsContact C-N 3.32Å; F80-F82 PolarHBondContact O-N 2.84Å; F82-L84 PolarHBondContact O-N 3.32Å; F82-Q85 WeakPolarHBondContact O-CB 3.32Å; F82-Q85 PolarHBondContact O-N 3.17Å; F82-L86 HydrophobicContact CD1-CD1 4.02Å; F82-L86 HydrophobicContact CD1-CG 4.41Å; F82-L86 HydrophobicContact CE1-CD1 3.54Å; F82-L86 HydrophobicContact CE1-CD2 4.32Å; F82-L86 HydrophobicContact CE1-CG 3.95Å; F82-L86 HydrophobicContact CZ-CD1 4.1Å; F82-L86 HydrophobicContact CZ-CD2 4.02Å; F82-L86 HydrophobicContact CZ-CG 4.06Å; F82-L86 WeakPolarHBondContact O-CG 3.32Å; F82-L86 PolarHBondContact O-N 3.14Å; F82-L149 HydrophobicContact CE1-CD1 4.02Å; F82-L149 HydrophobicContact CZ-CD1 4.14Å; F82-H153 HydrophobicContact CE2-CB 4.26Å; F82-H153 AromaticContact CE2-CE1 3.99Å; F82-H153 AromaticContact CE2-CG 3.98Å; F82-H153 AromaticContact CE2-ND1 3.31Å; F82-H153 VanDerWaalsContact CE2-ND1 3.31Å; F82-H153 WeakPolarHBondContact CE2-ND1 3.48Å; F82-H153 HydrophobicContact CZ-CB 3.79Å; F82-H153 AromaticContact CZ-CE1 3.94Å; F82-H153 AromaticContact CZ-CG 3.56Å; F82-H153 AromaticContact CZ-ND1 3.34Å; F82-H153 VanDerWaalsContact CZ-ND1 3.34Å; F82-H153 WeakPolarHBondContact CZ-ND1 3.33Å; F82-F185 AromaticContact CD1-CE1 3.56Å; F82-F185 HydrophobicContact CD1-CE1 3.56Å; F82-F185 AromaticContact CD1-CE2 3.97Å; F82-F185 HydrophobicContact CD1-CE2 3.97Å; F82-F185 AromaticContact CD1-CZ 3.15Å; F82-F185 HydrophobicContact CD1-CZ 3.15Å; F82-F185 HydrophobicContact CE1-CD1 4.4Å; F82-F185 AromaticContact CE1-CE1 3.25Å; F82-F185 HydrophobicContact CE1-CE1 3.25Å; F82-F185 HydrophobicContact CE1-CE2 4.44Å; F82-F185 AromaticContact CE1-CZ 3.27Å; F82-F185 HydrophobicContact CE1-CZ 3.27Å; F82-F185 HydrophobicContact CG-CZ 4.47Å; F82-F185 HydrophobicContact CZ-CE1 4.48Å
83G92.3Very high92.5Very high1 Ų142.6 Ų42.61%0.0121%0.214CC..Hα-helixtrans-61.8-40.1173.800000113.9Y79 F80 F87 N183Y79-G83 PolarHBondContact O-N 3.34Å; F80-G83 PolarHBondContact O-N 2.74Å; G83-F87 PolarHBondContact O-N 3.33Å; G83-N183 WeakPolarHBondContact CA-ND2 3.44Å; G83-N183 PolarHBondContact O-ND2 3.32Å
84L92.8Very high92.5Very high6 Ų649.2 Ų49.23%0.03124%0.242CC..Hα-helixtrans-63.9-39.8174.1-73.5168.4000112.2D38 M39 H42 W43 F80 K81 F82 F87 K88D38-L84 HydrophobicContact CB-CD1 4.01Å; M39-L84 HydrophobicContact CG-CD1 3.86Å; H42-L84 HydrophobicContact CB-CD2 3.72Å; W43-L84 HydrophobicContact CB-CD2 4.31Å; F80-L84 WeakPolarHBondContact O-CB 2.97Å; F80-L84 VanDerWaalsContact O-CG 3.25Å; F80-L84 WeakPolarHBondContact O-CG 3.39Å; F80-L84 PolarHBondContact O-N 3.36Å; K81-L84 PolarHBondContact O-N 3.37Å; F82-L84 PolarHBondContact O-N 3.32Å; L84-F87 PolarHBondContact O-N 2.74Å; L84-K88 WeakPolarHBondContact O-CG 3.39Å; L84-K88 PolarHBondContact O-N 2.68Å; L84-K88 VanDerWaalsContact O-N 3.12Å
85Q92.8Very high92.6Very high91 Ų9144.2 Ų44.243%0.42522%0.22SC..Hα-helixtrans-63.3-49.9177.2-175.758.937.100110.8K81 F82 F87 K88 D89K81-Q85 WeakPolarHBondContact O-CB 3.25Å; K81-Q85 PolarHBondContact O-N 3.43Å; F82-Q85 WeakPolarHBondContact O-CB 3.32Å; F82-Q85 PolarHBondContact O-N 3.17Å; Q85-F87 VanDerWaalsContact C-N 3.3Å; Q85-F87 PolarHBondContact O-N 3.07Å; Q85-K88 PolarHBondContact O-N 3.07Å; Q85-K88 VanDerWaalsContact O-N 3.12Å; Q85-D89 PolarHBondContact NE2-OD1 3.05Å; Q85-D89 PolarHBondContact NE2-OD2 2.88Å; Q85-D89 PolarHBondContact O-N 3.44Å
86L92.4Very high92.7Very high21 Ų2140.9 Ų40.911%0.1120%0.202CC..Hα-helixtrans-57.2-42.2176.2-70.9176.2000112.8F82 K88 D89 A90 L149 N183 F185F82-L86 HydrophobicContact CD1-CD1 4.02Å; F82-L86 HydrophobicContact CD1-CG 4.41Å; F82-L86 HydrophobicContact CE1-CD1 3.54Å; F82-L86 HydrophobicContact CE1-CD2 4.32Å; F82-L86 HydrophobicContact CE1-CG 3.95Å; F82-L86 HydrophobicContact CZ-CD1 4.1Å; F82-L86 HydrophobicContact CZ-CD2 4.02Å; F82-L86 HydrophobicContact CZ-CG 4.06Å; F82-L86 WeakPolarHBondContact O-CG 3.32Å; F82-L86 PolarHBondContact O-N 3.14Å; L86-K88 VanDerWaalsContact C-N 3.34Å; L86-K88 PolarHBondContact O-N 3.37Å; L86-D89 PolarHBondContact O-N 3.4Å; L86-A90 WeakPolarHBondContact O-CB 3.49Å; L86-A90 PolarHBondContact O-N 2.05Å; L86-L149 HydrophobicContact CD1-CD1 3.51Å; L86-L149 HydrophobicContact CD2-CD1 3.67Å; L86-L149 HydrophobicContact CD2-CD2 4.48Å; L86-L149 HydrophobicContact CG-CD1 4.22Å; L86-N183 HydrophobicContact CD1-CB 4.43Å; L86-F185 HydrophobicContact CD1-CE1 4.25Å; L86-F185 HydrophobicContact CD1-CZ 3.64Å
87F89.4Confident92.7Very high50 Ų5045.4 Ų45.422%0.21922%0.224CC..Hα-helixtrans-59.1-46.9176.9168.9-101.6000111.5H42 G83 L84 Q85 N91 L179 V180H42-F87 HydrophobicContact CB-CD1 3.93Å; H42-F87 HydrophobicContact CB-CE1 3.89Å; H42-F87 AromaticContact CG-CE1 3.9Å; H42-F87 AromaticContact ND1-CE1 3.46Å; H42-F87 WeakPolarHBondContact ND1-CE1 3.35Å; G83-F87 PolarHBondContact O-N 3.33Å; L84-F87 PolarHBondContact O-N 2.74Å; Q85-F87 VanDerWaalsContact C-N 3.3Å; Q85-F87 PolarHBondContact O-N 3.07Å; F87-N91 PolarHBondContact O-N 2.94Å; F87-N91 VanDerWaalsContact O-N 3.13Å; F87-L179 WeakPolarHBondContact CE2-O 3.43Å; F87-V180 HydrophobicContact CD2-CG2 3.13Å; F87-V180 HydrophobicContact CE2-CG2 3.26Å; F87-V180 HydrophobicContact CG-CG2 3.82Å; F87-V180 HydrophobicContact CZ-CG2 4.07Å
88K90.6Very high92.7Very high86 Ų8652 Ų5237%0.37425%0.251SS..Hα-helixtrans-64.1-43.9179-70.4173.2-173.7177.30111.3D38 L84 Q85 L86D38-K88 IonicContact OD2-NZ 3.8Å; D38-K88 PolarHBondContact OD2-NZ 2.79Å; L84-K88 WeakPolarHBondContact O-CG 3.39Å; L84-K88 PolarHBondContact O-N 2.68Å; L84-K88 VanDerWaalsContact O-N 3.12Å; Q85-K88 PolarHBondContact O-N 3.07Å; Q85-K88 VanDerWaalsContact O-N 3.12Å; L86-K88 VanDerWaalsContact C-N 3.34Å; L86-K88 PolarHBondContact O-N 3.37Å
89D90.7Very high92.8Very high102 Ų10254.8 Ų54.855%0.54526%0.256SS..Hα-helixtrans-71.9-41.8-176.7-69.1-18.9000112.8Q85 L86 N91Q85-D89 PolarHBondContact NE2-OD1 3.05Å; Q85-D89 PolarHBondContact NE2-OD2 2.88Å; Q85-D89 PolarHBondContact O-N 3.44Å; L86-D89 PolarHBondContact O-N 3.4Å; D89-N91 VanDerWaalsContact C-N 3.34Å
90A90.5Very high93Very high11 Ų1160.6 Ų60.69%0.09129%0.287CS..Hα-helixtrans-67.6-37.5178.100000111.9L86 L92 T95 F122 L147L86-A90 WeakPolarHBondContact O-CB 3.49Å; L86-A90 PolarHBondContact O-N 2.05Å; A90-L92 PolarHBondContact O-N 3.19Å; A90-L92 VanDerWaalsContact O-N 3.13Å; A90-T95 PolarHBondContact O-OG1 2.51Å; A90-F122 HydrophobicContact CB-CE1 4.04Å; A90-F122 HydrophobicContact CB-CZ 4.11Å; A90-L147 HydrophobicContact CB-CD1 3.82Å
91N89.7Confident93.1Very high73 Ų7360.8 Ų60.839%0.3929%0.289SS..  trans41.552.2179.3-160-17.5000112.3F87 D89 L93 K94 T95F87-N91 PolarHBondContact O-N 2.94Å; F87-N91 VanDerWaalsContact O-N 3.13Å; D89-N91 VanDerWaalsContact C-N 3.34Å; N91-L93 VanDerWaalsContact C-N 3.35Å; N91-L93 PolarHBondContact O-N 3.4Å; N91-K94 PolarHBondContact O-N 2.68Å; N91-K94 WeakPolarHBondContact OD1-CB 3.27Å; N91-T95 PolarHBondContact O-N 2.71Å; N91-T95 PolarHBondContact O-OG1 2.77Å
92L92.4Very high93.1Very high24 Ų2457.6 Ų57.613%0.12628%0.279CS..Hα-helixtrans-62.1-41.3-161.5-176.659000112.5A90 K94 T95 L96 L118 F122 I145 L179A90-L92 PolarHBondContact O-N 3.19Å; A90-L92 VanDerWaalsContact O-N 3.13Å; L92-K94 PolarHBondContact O-N 2.97Å; L92-T95 WeakPolarHBondContact O-CB 3.38Å; L92-T95 PolarHBondContact O-N 3.5Å; L92-L96 HydrophobicContact CD1-CD1 4.46Å; L92-L96 HydrophobicContact CD1-CG 4.23Å; L92-L96 HydrophobicContact CG-CD1 4.21Å; L92-L96 HydrophobicContact CG-CG 4.41Å; L92-L96 WeakPolarHBondContact O-CG 3.02Å; L92-L96 PolarHBondContact O-N 3.21Å; L92-L118 HydrophobicContact CD1-CD2 3.71Å; L92-F122 HydrophobicContact CD1-CE2 4.22Å; L92-F122 HydrophobicContact CD1-CZ 4.49Å; L92-I145 HydrophobicContact CD2-CB 3.67Å; L92-I145 HydrophobicContact CD2-CD1 3.64Å; L92-I145 HydrophobicContact CD2-CG1 4.25Å; L92-I145 HydrophobicContact CD2-CG2 3.71Å; L92-I145 HydrophobicContact CG-CD1 4.23Å; L92-L179 HydrophobicContact CB-CD1 4.34Å; L92-L179 HydrophobicContact CD2-CD1 4.49Å; L92-L179 HydrophobicContact CG-CD1 4.3Å
93L90.4Very high93.1Very high34 Ų3457.6 Ų57.618%0.17828%0.283CS..Hα-helixtrans-59.8-50179.3-176.656.1000111.1N91 T95 L96 M97 P103 F170 L179N91-L93 VanDerWaalsContact C-N 3.35Å; N91-L93 PolarHBondContact O-N 3.4Å; L93-T95 VanDerWaalsContact C-N 3.28Å; L93-T95 PolarHBondContact O-N 2.81Å; L93-L96 PolarHBondContact O-N 2.89Å; L93-M97 HydrophobicContact CD1-CG 4.28Å; L93-M97 HydrophobicContact CD1-SD 4.22Å; L93-M97 HydrophobicContact CG-CG 4.47Å; L93-M97 HydrophobicContact CG-SD 3.92Å; L93-M97 VanDerWaalsContact O-CG 3.24Å; L93-M97 WeakPolarHBondContact O-CG 3.32Å; L93-M97 PolarHBondContact O-N 3.43Å; L93-P103 HydrophobicContact CD1-CG 4.16Å; L93-F170 HydrophobicContact CD1-CE1 4.19Å; L93-F170 HydrophobicContact CD1-CZ 3.98Å; L93-L179 HydrophobicContact CB-CD1 3.59Å; L93-L179 HydrophobicContact CB-CG 4.29Å; L93-L179 HydrophobicContact CD1-CD1 4.06Å; L93-L179 HydrophobicContact CG-CD1 4.36Å
94K91.5Very high93.1Very high143 Ų14360 Ų6062%0.62230%0.296SS*.Hα-helixtrans-62.1-39178.4-172.1178.5-178.4177.30111.4N91 L92 K98N91-K94 PolarHBondContact O-N 2.68Å; N91-K94 WeakPolarHBondContact OD1-CB 3.27Å; L92-K94 PolarHBondContact O-N 2.97Å; K94-K98 PolarHBondContact O-N 3.02Å
95T93.1Very high93Very high14 Ų1462.7 Ų62.79%0.08632%0.318CS..Hα-helixtrans-58.3-53.3173.5-690000110.6A90 N91 L92 L93 M97 K98 Y99 V117 K121A90-T95 PolarHBondContact O-OG1 2.51Å; N91-T95 PolarHBondContact O-N 2.71Å; N91-T95 PolarHBondContact O-OG1 2.77Å; L92-T95 WeakPolarHBondContact O-CB 3.38Å; L92-T95 PolarHBondContact O-N 3.5Å; L93-T95 VanDerWaalsContact C-N 3.28Å; L93-T95 PolarHBondContact O-N 2.81Å; T95-M97 VanDerWaalsContact C-N 3.35Å; T95-M97 PolarHBondContact O-N 3.46Å; T95-K98 WeakPolarHBondContact O-CB 3.13Å; T95-K98 PolarHBondContact O-N 3.38Å; T95-Y99 VanDerWaalsContact O-CD2 3.3Å; T95-Y99 WeakPolarHBondContact O-CD2 3.42Å; T95-Y99 PolarHBondContact O-N 2.81Å; T95-V117 HydrophobicContact CG2-CG1 4Å; T95-K121 HydrophobicContact CG2-CB 3.99Å; T95-K121 HydrophobicContact CG2-CD 4.36Å; T95-K121 HydrophobicContact CG2-CG 3.69Å
96L95.8Very high92.9Very high0 Ų063.8 Ų63.80%033%0.331CS..Hα-helixtrans-60.6-43.2-179.5-67.4176.2000112.1L92 L93 K98 Y99 N100 I101 L114 V117 I145 F170L92-L96 HydrophobicContact CD1-CD1 4.46Å; L92-L96 HydrophobicContact CD1-CG 4.23Å; L92-L96 HydrophobicContact CG-CD1 4.21Å; L92-L96 HydrophobicContact CG-CG 4.41Å; L92-L96 WeakPolarHBondContact O-CG 3.02Å; L92-L96 PolarHBondContact O-N 3.21Å; L93-L96 PolarHBondContact O-N 2.89Å; L96-K98 VanDerWaalsContact C-N 3.3Å; L96-K98 PolarHBondContact O-N 3.48Å; L96-Y99 CarbonylContact O-C 3.6Å; L96-Y99 WeakPolarHBondContact O-CA 3.4Å; L96-Y99 PolarHBondContact O-N 3.45Å; L96-N100 PolarHBondContact O-N 3.3Å; L96-I101 CarbonylContact C-O 3.5Å; L96-I101 HydrophobicContact CB-CB 4.13Å; L96-I101 HydrophobicContact CB-CG2 4.33Å; L96-I101 WeakPolarHBondContact CB-O 3.05Å; L96-I101 HydrophobicContact CD2-CB 4.49Å; L96-I101 HydrophobicContact CD2-CD1 4.33Å; L96-I101 HydrophobicContact CD2-CG2 4.44Å; L96-I101 PolarHBondContact O-N 2.97Å; L96-L114 HydrophobicContact CD2-CD1 4.19Å; L96-L114 HydrophobicContact CD2-CD2 4.4Å; L96-L114 HydrophobicContact CD2-CG 3.85Å; L96-V117 HydrophobicContact CD2-CG1 4.17Å; L96-I145 HydrophobicContact CD1-CD1 3.69Å; L96-F170 HydrophobicContact CD1-CE1 4.36Å
97M94.7Very high93.1Very high97 Ų9767.3 Ų67.348%0.47835%0.346SS..Hα-helixtrans-60.5-38.3177.7-68.9173.169.200112.3L93 T95 Y99 N100 I101 T102L93-M97 HydrophobicContact CD1-CG 4.28Å; L93-M97 HydrophobicContact CD1-SD 4.22Å; L93-M97 HydrophobicContact CG-CG 4.47Å; L93-M97 HydrophobicContact CG-SD 3.92Å; L93-M97 VanDerWaalsContact O-CG 3.24Å; L93-M97 WeakPolarHBondContact O-CG 3.32Å; L93-M97 PolarHBondContact O-N 3.43Å; T95-M97 VanDerWaalsContact C-N 3.35Å; T95-M97 PolarHBondContact O-N 3.46Å; M97-Y99 PolarHBondContact O-N 3.02Å; M97-N100 PolarHBondContact O-N 2.93Å; M97-I101 PolarHBondContact N-O 3.32Å; M97-T102 HydrophobicContact CB-CG2 4.37Å; M97-T102 HydrophobicContact CG-CG2 4.08Å
98K96.5Very high93.4Very high169 Ų16967.9 Ų67.974%0.73535%0.349SS*.Hα-helixtrans-60.1-26.6174.7-177.1178.2178.2178.20112.7K94 T95 L96K94-K98 PolarHBondContact O-N 3.02Å; T95-K98 WeakPolarHBondContact O-CB 3.13Å; T95-K98 PolarHBondContact O-N 3.38Å; L96-K98 VanDerWaalsContact C-N 3.3Å; L96-K98 PolarHBondContact O-N 3.48Å
99Y96.9Very high93.8Very high73 Ų7364.5 Ų64.529%0.28633%0.334SS..THydrogen-bonded Turntrans-101.422.4176.5-69.4-84.5000112.7T95 L96 M97 I101 V117 K120T95-Y99 VanDerWaalsContact O-CD2 3.3Å; T95-Y99 WeakPolarHBondContact O-CD2 3.42Å; T95-Y99 PolarHBondContact O-N 2.81Å; L96-Y99 CarbonylContact O-C 3.6Å; L96-Y99 WeakPolarHBondContact O-CA 3.4Å; L96-Y99 PolarHBondContact O-N 3.45Å; M97-Y99 PolarHBondContact O-N 3.02Å; Y99-I101 PolarHBondContact O-N 3.29Å; Y99-V117 HydrophobicContact CD1-CG2 3.95Å; Y99-V117 HydrophobicContact CD2-CB 4.38Å; Y99-V117 HydrophobicContact CD2-CG1 3.51Å; Y99-V117 HydrophobicContact CD2-CG2 3.99Å; Y99-V117 HydrophobicContact CE2-CG1 3.97Å; Y99-V117 HydrophobicContact CG-CB 4.44Å; Y99-V117 HydrophobicContact CG-CG1 4Å; Y99-V117 HydrophobicContact CG-CG2 3.57Å; Y99-K120 HydrophobicContact CE1-CD 3.95Å; Y99-K120 VanDerWaalsContact OH-CD 3.32Å; Y99-K120 WeakPolarHBondContact OH-CD 3.37Å; Y99-K120 VanDerWaalsContact OH-CE 3.25Å; Y99-K120 WeakPolarHBondContact OH-CE 3.48Å
100N97Very high94.2Very high122 Ų12262.9 Ų62.965%0.65233%0.326SS*.THydrogen-bonded Turntrans61.121177.7-56.9-49.4000115L96 M97 K107 Y109L96-N100 PolarHBondContact O-N 3.3Å; M97-N100 PolarHBondContact O-N 2.93Å; N100-K107 PolarHBondContact O-NZ 3.17Å; N100-Y109 WeakPolarHBondContact O-CE1 3.43Å
101I96.7Very high94.5Very high5 Ų562.9 Ų62.93%0.02633%0.325CS..  trans-98.397.4169.5-58.2174.5000107.4L96 M97 Y99 Y109 L114 V117 F168 F170L96-I101 CarbonylContact C-O 3.5Å; L96-I101 HydrophobicContact CB-CB 4.13Å; L96-I101 HydrophobicContact CB-CG2 4.33Å; L96-I101 WeakPolarHBondContact CB-O 3.05Å; L96-I101 HydrophobicContact CD2-CB 4.49Å; L96-I101 HydrophobicContact CD2-CD1 4.33Å; L96-I101 HydrophobicContact CD2-CG2 4.44Å; L96-I101 PolarHBondContact O-N 2.97Å; M97-I101 PolarHBondContact N-O 3.32Å; Y99-I101 PolarHBondContact O-N 3.29Å; I101-Y109 HydrophobicContact CB-CD1 4.47Å; I101-Y109 HydrophobicContact CB-CE1 4.31Å; I101-Y109 HydrophobicContact CG1-CD1 4.1Å; I101-Y109 HydrophobicContact CG1-CE1 4.29Å; I101-Y109 HydrophobicContact CG2-CD1 4.3Å; I101-Y109 HydrophobicContact CG2-CE1 4.32Å; I101-Y109 HydrophobicContact CG2-CG 4.41Å; I101-L114 HydrophobicContact CD1-CB 3.99Å; I101-L114 HydrophobicContact CD1-CG 4.27Å; I101-V117 HydrophobicContact CD1-CG2 4.18Å; I101-F168 HydrophobicContact CG2-CZ 4.36Å; I101-F170 HydrophobicContact CG2-CD1 4.16Å
102T95.1Very high94.9Very high48 Ų4862.2 Ų62.229%0.29433%0.326SS..  trans-119.7153.1-176.766.20000110.8M97 N104 Y109 F170M97-T102 HydrophobicContact CB-CG2 4.37Å; M97-T102 HydrophobicContact CG-CG2 4.08Å; T102-N104 PolarHBondContact O-N 3.14Å; T102-Y109 PolarHBondContact N-OH 2.86Å; T102-Y109 PolarHBondContact O-OH 3.36Å; T102-Y109 PolarHBondContact OG1-OH 3.04Å; T102-F170 VanDerWaalsContact C-CD1 3.43Å
103P93Very high95.1Very high40 Ų4064.5 Ų64.526%0.2634%0.338SS..  trans-56.4126.5171.3-19.329.1000110.3L93 F170 P172 F173L93-P103 HydrophobicContact CD1-CG 4.16Å; P103-F170 CarbonylContact C-O 3.47Å; P103-F170 VanDerWaalsContact CA-O 3.23Å; P103-F170 WeakPolarHBondContact CA-O 3.22Å; P103-F170 HydrophobicContact CB-CD1 4.44Å; P103-F170 HydrophobicContact CB-CE1 4.35Å; P103-F170 HydrophobicContact CB-CZ 4.46Å; P103-F170 HydrophobicContact CG-CD1 4.19Å; P103-F170 HydrophobicContact CG-CE1 3.65Å; P103-F170 HydrophobicContact CG-CE2 4.29Å; P103-F170 HydrophobicContact CG-CZ 3.71Å; P103-P172 HydrophobicContact CB-CB 4.39Å; P103-F173 HydrophobicContact CG-CD2 4.45Å; P103-F173 HydrophobicContact CG-CE2 4.28Å
104N93.4Very high95.5Very high52 Ų5262.9 Ų62.928%0.27833%0.329SS..  trans-154.1133.9-176.7-170.6-62.8000109.9T102 T106 K107 F170T102-N104 PolarHBondContact O-N 3.14Å; N104-T106 VanDerWaalsContact C-N 3.3Å; N104-T106 PolarHBondContact O-N 3.28Å; N104-T106 PolarHBondContact OD1-N 3.44Å; N104-T106 PolarHBondContact OD1-OG1 3.16Å; N104-K107 HydrophobicContact CB-CB 3.86Å; N104-K107 VanDerWaalsContact CG-CB 3.47Å; N104-K107 WeakPolarHBondContact OD1-CB 3.49Å; N104-K107 PolarHBondContact OD1-N 3.42Å; N104-F170 PolarHBondContact N-O 3.15Å
105A89.6Confident95.8Very high61 Ų6158.6 Ų58.650%0.50431%0.311SS..SBendtrans-71.1-23-173.900000113.8P172A105-P172 HydrophobicContact CB-CG 4.41Å
106T91.8Very high96Very high115 Ų11562.5 Ų62.571%0.70633%0.332SS*.SBendtrans-129.4-24.5-169.758.60000114.3N104 E108N104-T106 VanDerWaalsContact C-N 3.3Å; N104-T106 PolarHBondContact O-N 3.28Å; N104-T106 PolarHBondContact OD1-N 3.44Å; N104-T106 PolarHBondContact OD1-OG1 3.16Å; T106-E108 PolarHBondContact O-N 2.98Å
107K96.2Very high96.1Very high94 Ų9463 Ų6341%0.40934%0.335SS..  trans-70.8124-179.7-176.5174.7173-168.50111N100 N104 Y109 L169N100-K107 PolarHBondContact O-NZ 3.17Å; N104-K107 HydrophobicContact CB-CB 3.86Å; N104-K107 VanDerWaalsContact CG-CB 3.47Å; N104-K107 WeakPolarHBondContact OD1-CB 3.49Å; N104-K107 PolarHBondContact OD1-N 3.42Å; K107-Y109 HydrophobicContact CB-CE2 4.46Å; K107-Y109 HydrophobicContact CD-CE1 3.86Å; K107-Y109 HydrophobicContact CD-CE2 4.42Å; K107-Y109 HydrophobicContact CG-CE1 4.25Å; K107-Y109 HydrophobicContact CG-CE2 4.24Å; K107-L169 WeakPolarHBondContact O-CD2 3.42Å
108E96.7Very high96.1Very high63 Ų6358.4 Ų58.429%0.29431%0.312SS..EExtended strand (participates in β ladder)trans-88.6141.1171.1-66.2177.718000110.6T106 K136 T139 K167 F168 L169T106-E108 PolarHBondContact O-N 2.98Å; E108-K136 IonicContact OE1-NZ 2.66Å; E108-K136 PolarHBondContact OE1-NZ 3.3Å; E108-T139 HydrophobicContact CG-CG2 3.97Å; E108-T139 PolarHBondContact OE1-OG1 3.04Å; E108-K167 HydrophobicContact CB-CD 4.36Å; E108-K167 WeakPolarHBondContact OE2-CD 3.43Å; E108-K167 IonicContact OE2-NZ 3.83Å; E108-F168 WeakPolarHBondContact CA-O 3.24Å; E108-L169 HydrophobicContact CG-CD2 3.69Å
109Y98.1Very high96.2Very high14 Ų1456.6 Ų56.66%0.05531%0.305CS..EExtended strand (participates in β ladder)trans-118.7148.5175.5-62.1-82.7000109.5N100 I101 T102 K107 K167 F168 F170N100-Y109 WeakPolarHBondContact O-CE1 3.43Å; I101-Y109 HydrophobicContact CB-CD1 4.47Å; I101-Y109 HydrophobicContact CB-CE1 4.31Å; I101-Y109 HydrophobicContact CG1-CD1 4.1Å; I101-Y109 HydrophobicContact CG1-CE1 4.29Å; I101-Y109 HydrophobicContact CG2-CD1 4.3Å; I101-Y109 HydrophobicContact CG2-CE1 4.32Å; I101-Y109 HydrophobicContact CG2-CG 4.41Å; T102-Y109 PolarHBondContact N-OH 2.86Å; T102-Y109 PolarHBondContact O-OH 3.36Å; T102-Y109 PolarHBondContact OG1-OH 3.04Å; K107-Y109 HydrophobicContact CB-CE2 4.46Å; K107-Y109 HydrophobicContact CD-CE1 3.86Å; K107-Y109 HydrophobicContact CD-CE2 4.42Å; K107-Y109 HydrophobicContact CG-CE1 4.25Å; K107-Y109 HydrophobicContact CG-CE2 4.24Å; Y109-K167 CarbonylContact O-C 3.38Å; Y109-K167 WeakPolarHBondContact O-CA 3.31Å; Y109-K167 WeakPolarHBondContact O-CB 3.41Å; Y109-F168 HydrophobicContact CD2-CD2 4.45Å; Y109-F168 AromaticContact CD2-CE2 3.91Å; Y109-F168 HydrophobicContact CD2-CE2 3.91Å; Y109-F168 HydrophobicContact CD2-CZ 4.28Å; Y109-F168 HydrophobicContact CG-CE2 4.15Å; Y109-F168 HydrophobicContact CG-CZ 4.04Å; Y109-F168 PolarHBondContact N-O 3.26Å; Y109-F168 PolarHBondContact O-N 2.91Å; Y109-F170 HydrophobicContact CD2-CB 4.31Å; Y109-F170 HydrophobicContact CE2-CB 4.14Å
110N98Very high96.2Very high69 Ų6960.4 Ų60.437%0.36932%0.322SS..EExtended strand (participates in β ladder)trans-75.8134.6171.1-52.6-55.9000109.6S112 D113 F168N110-S112 PolarHBondContact O-N 3.33Å; N110-D113 HydrophobicContact CB-CB 4.41Å; N110-D113 WeakPolarHBondContact CB-OD2 3.31Å; N110-D113 PolarHBondContact ND2-OD2 3.14Å; N110-D113 WeakPolarHBondContact O-CB 3.27Å; N110-D113 PolarHBondContact O-N 3.01Å; N110-D113 VanDerWaalsContact O-N 3.08Å; N110-F168 WeakPolarHBondContact O-CE1 3.27Å
111T97.9Very high96.2Very high11 Ų1160 Ų607%0.06732%0.315CS..Hα-helixtrans-59-37.5177.3-63.90000111.7D113 L114 Q115 L128 C164 P165 S166T111-D113 VanDerWaalsContact C-N 3.31Å; T111-D113 PolarHBondContact O-N 2.94Å; T111-L114 PolarHBondContact O-N 3.41Å; T111-Q115 WeakPolarHBondContact O-CG 3Å; T111-Q115 PolarHBondContact O-N 3.18Å; T111-L128 HydrophobicContact CG2-CD1 3.67Å; T111-C164 HydrophobicContact CG2-CB 3.86Å; T111-P165 VanDerWaalsContact CB-O 3.27Å; T111-P165 WeakPolarHBondContact CB-O 3.28Å; T111-P165 PolarHBondContact OG1-O 3.33Å; T111-S166 PolarHBondContact N-O 2.89Å; T111-S166 PolarHBondContact OG1-O 3.15Å
112S97.2Very high96.1Very high59 Ų5960.9 Ų60.941%0.41332%0.319SS..Hα-helixtrans-60.9-36175.5520000113.1N110 Q115 N116N110-S112 PolarHBondContact O-N 3.33Å; S112-Q115 PolarHBondContact O-N 2.91Å; S112-N116 WeakPolarHBondContact O-CB 3.25Å; S112-N116 PolarHBondContact O-N 2.87Å; S112-N116 PolarHBondContact O-ND2 3.28Å; S112-N116 VanDerWaalsContact O-ND2 3.16Å
113D98Very high96.2Very high72 Ų7261 Ų6139%0.38533%0.329SS..Hα-helixtrans-65-44.3179.4-66.2-26.6000110.6N110 T111 N116 V117N110-D113 HydrophobicContact CB-CB 4.41Å; N110-D113 WeakPolarHBondContact CB-OD2 3.31Å; N110-D113 PolarHBondContact ND2-OD2 3.14Å; N110-D113 WeakPolarHBondContact O-CB 3.27Å; N110-D113 PolarHBondContact O-N 3.01Å; N110-D113 VanDerWaalsContact O-N 3.08Å; T111-D113 VanDerWaalsContact C-N 3.31Å; T111-D113 PolarHBondContact O-N 2.94Å; D113-N116 PolarHBondContact O-N 3.12Å; D113-V117 WeakPolarHBondContact O-CG2 3.31Å; D113-V117 PolarHBondContact O-N 2.82Å
114L97.7Very high96.4Very high0 Ų061.9 Ų61.90%033%0.33CS..Hα-helixtrans-65.3-45.5175.9-165.9162000110.8L96 I101 T111 N116 V117 L118 L128 L142 I145 F168L96-L114 HydrophobicContact CD2-CD1 4.19Å; L96-L114 HydrophobicContact CD2-CD2 4.4Å; L96-L114 HydrophobicContact CD2-CG 3.85Å; I101-L114 HydrophobicContact CD1-CB 3.99Å; I101-L114 HydrophobicContact CD1-CG 4.27Å; T111-L114 PolarHBondContact O-N 3.41Å; L114-N116 VanDerWaalsContact C-N 3.26Å; L114-N116 PolarHBondContact O-N 2.64Å; L114-V117 WeakPolarHBondContact O-CB 3.44Å; L114-V117 PolarHBondContact O-N 3.45Å; L114-L118 HydrophobicContact CD2-CD1 3.76Å; L114-L118 HydrophobicContact CD2-CD2 4.26Å; L114-L118 HydrophobicContact CD2-CG 3.86Å; L114-L118 WeakPolarHBondContact O-CG 3.31Å; L114-L118 PolarHBondContact O-N 3.36Å; L114-L128 HydrophobicContact CB-CD1 4.41Å; L114-L128 HydrophobicContact CD2-CD1 3.88Å; L114-L128 HydrophobicContact CD2-CD2 3.36Å; L114-L128 HydrophobicContact CD2-CG 4.25Å; L114-L142 HydrophobicContact CD1-CD2 3.91Å; L114-I145 HydrophobicContact CD1-CD1 4.08Å; L114-I145 HydrophobicContact CD2-CD1 4.25Å; L114-F168 HydrophobicContact CB-CE1 3.92Å; L114-F168 HydrophobicContact CB-CZ 3.87Å; L114-F168 HydrophobicContact CD1-CE1 4.04Å; L114-F168 HydrophobicContact CD1-CE2 3.89Å; L114-F168 HydrophobicContact CD1-CZ 3.38Å; L114-F168 HydrophobicContact CG-CZ 4.24Å
115Q97.4Very high96.5Very high52 Ų5261.4 Ų61.424%0.24333%0.327CS..Hα-helixtrans-56.8-40.5175.6-71.5174.1-30.200112.3T111 S112 L118 K119 L128T111-Q115 WeakPolarHBondContact O-CG 3Å; T111-Q115 PolarHBondContact O-N 3.18Å; S112-Q115 PolarHBondContact O-N 2.91Å; Q115-L118 PolarHBondContact O-N 3.07Å; Q115-K119 PolarHBondContact O-N 3.24Å; Q115-L128 HydrophobicContact CG-CD1 3.7Å; Q115-L128 HydrophobicContact CG-CG 4.44Å
116N97.9Very high96.6Very high97 Ų9758.6 Ų58.652%0.51930%0.304SS..Hα-helixtrans-65.2-38.9175.3-74-27.6000112.1S112 D113 L114 K119 K120S112-N116 WeakPolarHBondContact O-CB 3.25Å; S112-N116 PolarHBondContact O-N 2.87Å; S112-N116 PolarHBondContact O-ND2 3.28Å; S112-N116 VanDerWaalsContact O-ND2 3.16Å; D113-N116 PolarHBondContact O-N 3.12Å; L114-N116 VanDerWaalsContact C-N 3.26Å; L114-N116 PolarHBondContact O-N 2.64Å; N116-K119 PolarHBondContact O-N 3.49Å; N116-K120 VanDerWaalsContact O-CB 3.23Å; N116-K120 WeakPolarHBondContact O-CB 3.43Å; N116-K120 PolarHBondContact O-N 3.48Å
117V97.7Very high96.6Very high11 Ų1153.2 Ų53.27%0.06727%0.271CS..Hα-helixtrans-61-44.1173.6170.40000111.1T95 L96 Y99 I101 D113 L114 K120 K121T95-V117 HydrophobicContact CG2-CG1 4Å; L96-V117 HydrophobicContact CD2-CG1 4.17Å; Y99-V117 HydrophobicContact CD1-CG2 3.95Å; Y99-V117 HydrophobicContact CD2-CB 4.38Å; Y99-V117 HydrophobicContact CD2-CG1 3.51Å; Y99-V117 HydrophobicContact CD2-CG2 3.99Å; Y99-V117 HydrophobicContact CE2-CG1 3.97Å; Y99-V117 HydrophobicContact CG-CB 4.44Å; Y99-V117 HydrophobicContact CG-CG1 4Å; Y99-V117 HydrophobicContact CG-CG2 3.57Å; I101-V117 HydrophobicContact CD1-CG2 4.18Å; D113-V117 WeakPolarHBondContact O-CG2 3.31Å; D113-V117 PolarHBondContact O-N 2.82Å; L114-V117 WeakPolarHBondContact O-CB 3.44Å; L114-V117 PolarHBondContact O-N 3.45Å; V117-K120 PolarHBondContact O-N 3.11Å; V117-K121 WeakPolarHBondContact O-CB 3.44Å; V117-K121 PolarHBondContact O-N 3.29Å
118L96.1Very high96.6Very high0 Ų048.7 Ų48.70%025%0.252CS..Hα-helixtrans-62.6-49.3177.3-58.2-177.6000111.2L92 L114 Q115 K120 K121 F122 H124 L128 I145 L147L92-L118 HydrophobicContact CD1-CD2 3.71Å; L114-L118 HydrophobicContact CD2-CD1 3.76Å; L114-L118 HydrophobicContact CD2-CD2 4.26Å; L114-L118 HydrophobicContact CD2-CG 3.86Å; L114-L118 WeakPolarHBondContact O-CG 3.31Å; L114-L118 PolarHBondContact O-N 3.36Å; Q115-L118 PolarHBondContact O-N 3.07Å; L118-K120 VanDerWaalsContact C-N 3.3Å; L118-K120 PolarHBondContact O-N 2.85Å; L118-K121 PolarHBondContact O-N 3.09Å; L118-F122 HydrophobicContact CB-CD2 4.32Å; L118-F122 HydrophobicContact CD2-CD2 4.2Å; L118-F122 HydrophobicContact CD2-CE2 3.9Å; L118-F122 WeakPolarHBondContact O-CB 3.3Å; L118-F122 WeakPolarHBondContact O-CD2 3.25Å; L118-F122 PolarHBondContact O-N 3.44Å; L118-H124 CarbonylContact C-O 3.43Å; L118-L128 HydrophobicContact CD1-CD2 4.13Å; L118-I145 HydrophobicContact CD1-CG2 3.74Å; L118-I145 HydrophobicContact CD2-CG2 4.23Å; L118-L147 HydrophobicContact CD1-CD2 4.47Å; L118-L147 HydrophobicContact CD2-CD2 4.21Å
119K97.1Very high96.3Very high131 Ų13148.5 Ų48.557%0.5725%0.248SC*.Hα-helixtrans-58.2-42.3177.2-169.4176.6-178.6-1800112.3Q115 N116 G123 H124Q115-K119 PolarHBondContact O-N 3.24Å; N116-K119 PolarHBondContact O-N 3.49Å; K119-G123 CarbonylContact O-C 3.5Å; K119-G123 WeakPolarHBondContact O-CA 3.49Å; K119-G123 PolarHBondContact O-N 2.91Å; K119-H124 WeakPolarHBondContact CA-O 3.22Å; K119-H124 PolarHBondContact N-O 3.44Å
120K97.7Very high96.1Very high152 Ų15248 Ų4866%0.66125%0.246SC*.Hα-helixtrans-67.6-38.9178-177.4171.6179.2175.50112.6Y99 N116 V117 L118Y99-K120 HydrophobicContact CE1-CD 3.95Å; Y99-K120 VanDerWaalsContact OH-CD 3.32Å; Y99-K120 WeakPolarHBondContact OH-CD 3.37Å; Y99-K120 VanDerWaalsContact OH-CE 3.25Å; Y99-K120 WeakPolarHBondContact OH-CE 3.48Å; N116-K120 VanDerWaalsContact O-CB 3.23Å; N116-K120 WeakPolarHBondContact O-CB 3.43Å; N116-K120 PolarHBondContact O-N 3.48Å; V117-K120 PolarHBondContact O-N 3.11Å; L118-K120 VanDerWaalsContact C-N 3.3Å; L118-K120 PolarHBondContact O-N 2.85Å
121K96.5Very high95.8Very high115 Ų11546.7 Ų46.750%0.524%0.241SC..Hα-helixtrans-83.7-36.1-174.7-177.859.2-177.8158.80113.2T95 V117 L118T95-K121 HydrophobicContact CG2-CB 3.99Å; T95-K121 HydrophobicContact CG2-CD 4.36Å; T95-K121 HydrophobicContact CG2-CG 3.69Å; V117-K121 WeakPolarHBondContact O-CB 3.44Å; V117-K121 PolarHBondContact O-N 3.29Å; L118-K121 PolarHBondContact O-N 3.09Å
122F94.8Very high95.6Very high22 Ų2253.1 Ų53.110%0.09628%0.275CS..Hα-helixtrans-111.7-4.4-172.5-57.2-69.7000113.3A90 L92 L118 H124 L147 F155A90-F122 HydrophobicContact CB-CE1 4.04Å; A90-F122 HydrophobicContact CB-CZ 4.11Å; L92-F122 HydrophobicContact CD1-CE2 4.22Å; L92-F122 HydrophobicContact CD1-CZ 4.49Å; L118-F122 HydrophobicContact CB-CD2 4.32Å; L118-F122 HydrophobicContact CD2-CD2 4.2Å; L118-F122 HydrophobicContact CD2-CE2 3.9Å; L118-F122 WeakPolarHBondContact O-CB 3.3Å; L118-F122 WeakPolarHBondContact O-CD2 3.25Å; L118-F122 PolarHBondContact O-N 3.44Å; F122-H124 PolarHBondContact O-CD2 3.45Å; F122-H124 VanDerWaalsContact O-CD2 3.27Å; F122-H124 PolarHBondContact O-N 3.37Å; F122-L147 HydrophobicContact CD1-CD1 4.23Å; F122-L147 HydrophobicContact CD2-CD1 4.18Å; F122-L147 HydrophobicContact CD2-CD2 3.66Å; F122-L147 HydrophobicContact CE1-CD1 3.88Å; F122-L147 HydrophobicContact CE2-CD1 3.82Å; F122-L147 HydrophobicContact CE2-CD2 3.84Å; F122-L147 HydrophobicContact CG-CD1 4.38Å; F122-L147 HydrophobicContact CG-CD2 4.23Å; F122-L147 HydrophobicContact CZ-CD1 3.66Å; F122-F155 HydrophobicContact CB-CD2 4.34Å; F122-F155 HydrophobicContact CB-CG 4.2Å; F122-F155 HydrophobicContact CD1-CD1 4.36Å; F122-F155 HydrophobicContact CD1-CD2 4.02Å; F122-F155 HydrophobicContact CD1-CE1 4.03Å; F122-F155 AromaticContact CD1-CE2 3.66Å; F122-F155 HydrophobicContact CD1-CE2 3.66Å; F122-F155 HydrophobicContact CD1-CG 4.37Å; F122-F155 AromaticContact CD1-CZ 3.66Å; F122-F155 HydrophobicContact CD1-CZ 3.66Å; F122-F155 HydrophobicContact CE1-CE1 4.46Å; F122-F155 HydrophobicContact CE1-CE2 4.26Å; F122-F155 AromaticContact CE1-CZ 3.97Å; F122-F155 HydrophobicContact CE1-CZ 3.97Å
123G97.4Very high95.2Very high50 Ų5052 Ų5252%0.51526%0.264SS..SBendtrans78.3-8.5-177.100000114.4K119K119-G123 CarbonylContact O-C 3.5Å; K119-G123 WeakPolarHBondContact O-CA 3.49Å; K119-G123 PolarHBondContact O-N 2.91Å
124H96.7Very high94.7Very high59 Ų5957.9 Ų57.927%0.27329%0.286SS..SBendtrans-136.6158.4-171-63.5-76.5000112.2L118 K119 F122 F155 T156L118-H124 CarbonylContact C-O 3.43Å; K119-H124 WeakPolarHBondContact CA-O 3.22Å; K119-H124 PolarHBondContact N-O 3.44Å; F122-H124 PolarHBondContact O-CD2 3.45Å; F122-H124 VanDerWaalsContact O-CD2 3.27Å; F122-H124 PolarHBondContact O-N 3.37Å; H124-F155 PolarHBondContact CD2-O 3.31Å; H124-F155 PolarHBondContact NE2-O 2.88Å; H124-T156 VanDerWaalsContact CB-C 3.42Å; H124-T156 WeakPolarHBondContact CB-O 3.47Å; H124-T156 VanDerWaalsContact CG-C 3.48Å; H124-T156 VanDerWaalsContact CG-CA 3.48Å
125N95.4Very high94.1Very high43 Ų4368 Ų6823%0.2333%0.33CS..  trans-65.3164174.17521.1000111.2N157 C158 L161N125-N157 PolarHBondContact N-OD1 2.95Å; N125-N157 VanDerWaalsContact OD1-CA 3.27Å; N125-N157 WeakPolarHBondContact OD1-CA 3.34Å; N125-C158 PolarHBondContact ND2-O 3.18Å; N125-C158 WeakPolarHBondContact OD1-CA 3.31Å; N125-C158 PolarHBondContact OD1-N 3.34Å; N125-C158 PolarHBondContact OD1-O 2.9Å; N125-L161 HydrophobicContact CB-CD2 3.87Å; N125-L161 WeakPolarHBondContact ND2-CD2 3.46Å
126G92.6Very high93.4Very high1 Ų169.7 Ų69.71%0.0134%0.337CS..  trans-132.9164.4170.300000111R146G126-R146 VanDerWaalsContact CA-O 3.32Å; G126-R146 WeakPolarHBondContact CA-O 3.46Å
127S92.5Very high92.7Very high2 Ų272.3 Ų72.31%0.01435%0.351CS..EExtended strand (participates in β ladder)trans-99.7139179.6-157.20000111.1I145 R146 V160 L161 G162S127-I145 CarbonylContact O-C 3.15Å; S127-I145 WeakPolarHBondContact O-CA 3.15Å; S127-R146 PolarHBondContact N-O 2.84Å; S127-R146 PolarHBondContact O-N 3.5Å; S127-V160 WeakPolarHBondContact CB-O 3.46Å; S127-V160 PolarHBondContact OG-O 3.11Å; S127-L161 WeakPolarHBondContact CA-O 3.27Å; S127-G162 WeakPolarHBondContact OG-CA 3.48Å; S127-G162 PolarHBondContact OG-N 3.27Å
128L94.4Very high92.5Very high0 Ų077 Ų770%038%0.376CS..EExtended strand (participates in β ladder)trans-121118-179-53178.2000111.3T111 L114 Q115 L118 L142 I145 L161 G162 D163 C164T111-L128 HydrophobicContact CG2-CD1 3.67Å; L114-L128 HydrophobicContact CB-CD1 4.41Å; L114-L128 HydrophobicContact CD2-CD1 3.88Å; L114-L128 HydrophobicContact CD2-CD2 3.36Å; L114-L128 HydrophobicContact CD2-CG 4.25Å; Q115-L128 HydrophobicContact CG-CD1 3.7Å; Q115-L128 HydrophobicContact CG-CG 4.44Å; L118-L128 HydrophobicContact CD1-CD2 4.13Å; L128-L142 HydrophobicContact CB-CD1 4.5Å; L128-I145 HydrophobicContact CD2-CB 4.22Å; L128-I145 HydrophobicContact CD2-CG1 3.81Å; L128-I145 HydrophobicContact CD2-CG2 3.92Å; L128-L161 PolarHBondContact N-O 3.16Å; L128-G162 CarbonylContact O-C 3.47Å; L128-G162 WeakPolarHBondContact O-CA 3.27Å; L128-D163 PolarHBondContact O-N 3.04Å; L128-C164 HydrophobicContact CB-CB 4.17Å; L128-C164 VanDerWaalsContact CB-SG 3.56Å; L128-C164 PolarHBondContact O-N 3.42Å
129R91.7Very high92.5Very high58 Ų5877.4 Ų77.422%0.21938%0.378CS..EExtended strand (participates in β ladder)trans-95127.3174.2-173.681.1-179.7109.31.5109.3E143 E144 D163 C164R129-E143 PolarHBondContact O-N 2.9Å; R129-E144 HydrophobicContact CB-CB 3.52Å; R129-E144 HydrophobicContact CG-CB 4.31Å; R129-E144 PolarHBondContact N-O 2.74Å; R129-E144 PolarHBondContact O-N 3.16Å; R129-D163 WeakPolarHBondContact CA-OD1 3.26Å; R129-D163 IonicContact CZ-OD1 3.49Å; R129-D163 IonicContact CZ-OD2 3.37Å; R129-D163 IonicContact NH1-OD1 2.76Å; R129-D163 PolarHBondContact NH1-OD1 2.91Å; R129-D163 IonicContact NH1-OD2 3.69Å; R129-D163 PolarHBondContact NH1-OD2 2.62Å; R129-C164 VanDerWaalsContact C-SG 3.51Å
130C93.7Very high92.5Very high3 Ų371.2 Ų71.22%0.0235%0.351CS..EExtended strand (participates in β ladder)trans-122.8158.6169.7-73.80000112.2R141 D163 C164C130-R141 CarbonylContact C-O 3.41Å; C130-R141 WeakPolarHBondContact CA-O 3.36Å; C130-R141 WeakPolarHBondContact CB-O 3.39Å; C130-D163 PolarHBondContact N-OD1 2.94Å; C130-C164 HydrophobicContact CB-CB 3.88Å; C130-C164 WeakPolarHBondContact CB-SG 3.49Å; C130-C164 PolarHBondContact N-SG 3.26Å; C130-C164 VanDerWaalsContact N-SG 3.41Å; C130-C164 VanDerWaalsContact SG-CA 3.57Å; C130-C164 WeakPolarHBondContact SG-CB 3.33Å; C130-C164 CovalentContact SG-SG 2.03Å; C130-C164 PolarHBondContact SG-SG 2.96Å
131T92.5Very high92.3Very high43 Ų4369.5 Ų69.526%0.26434%0.341SS..EExtended strand (participates in β ladder)trans-106.1149.2161.244.20000111.6G140 R141 E143T131-G140 CarbonylContact O-C 3.24Å; T131-G140 WeakPolarHBondContact O-CA 3.5Å; T131-R141 PolarHBondContact N-O 3.05Å; T131-R141 PolarHBondContact O-N 3.05Å; T131-E143 WeakPolarHBondContact CB-OE1 3.16Å; T131-E143 HydrophobicContact CG2-CG 4.18Å; T131-E143 WeakPolarHBondContact CG2-OE1 3.45Å; T131-E143 WeakPolarHBondContact CG2-OE2 3.35Å; T131-E143 PolarHBondContact OG1-OE1 3.01Å
132N92Very high92.2Very high146 Ų14664.9 Ų64.978%0.78132%0.321SS*.EExtended strand (participates in β ladder)trans-69.1140.7-179.1-67.1-22.7000111.4
133I89.6Confident91.9Very high35 Ų3568.4 Ų68.418%0.17934%0.338CS..EExtended strand (participates in β ladder)trans-98128.6171.3-62.5169.6000108.3K135 K136 T139 R141 L169I133-K135 PolarHBondContact O-N 3.44Å; I133-K136 HydrophobicContact CB-CB 4.3Å; I133-K136 HydrophobicContact CG2-CB 4.31Å; I133-K136 HydrophobicContact CG2-CD 4.37Å; I133-K136 HydrophobicContact CG2-CG 4.4Å; I133-K136 PolarHBondContact O-N 3.4Å; I133-K136 VanDerWaalsContact O-N 3.13Å; I133-T139 HydrophobicContact CD1-CG2 4.06Å; I133-R141 HydrophobicContact CD1-CB 4.4Å; I133-R141 HydrophobicContact CG1-CB 4.27Å; I133-L169 HydrophobicContact CD1-CB 4.35Å; I133-L169 HydrophobicContact CD1-CD1 3.56Å; I133-L169 HydrophobicContact CD1-CG 3.95Å
134K87.3Confident91.5Very high196 Ų19666.9 Ų66.985%0.85232%0.317SS*.THydrogen-bonded Turntrans-54.5132.5177.1-67.1-173.8180-178.10109.9K136K134-K136 VanDerWaalsContact C-N 3.26Å; K134-K136 PolarHBondContact O-N 3.01Å
135K84.4Confident91.4Very high212 Ų21265.4 Ų65.492%0.92231%0.311SS*.THydrogen-bonded Turntrans67.311179.3-49.6179.3177.1-178.80115.9I133I133-K135 PolarHBondContact O-N 3.44Å
136K84.3Confident91.2Very high88 Ų8865 Ų6538%0.38331%0.306SS..EExtended strand (participates in β ladder)trans-128.5103.6170.8-68.4-168173.4-168.90109.9E108 I133 K134 T139E108-K136 IonicContact OE1-NZ 2.66Å; E108-K136 PolarHBondContact OE1-NZ 3.3Å; I133-K136 HydrophobicContact CB-CB 4.3Å; I133-K136 HydrophobicContact CG2-CB 4.31Å; I133-K136 HydrophobicContact CG2-CD 4.37Å; I133-K136 HydrophobicContact CG2-CG 4.4Å; I133-K136 PolarHBondContact O-N 3.4Å; I133-K136 VanDerWaalsContact O-N 3.13Å; K134-K136 VanDerWaalsContact C-N 3.26Å; K134-K136 PolarHBondContact O-N 3.01Å; K136-T139 HydrophobicContact CD-CG2 4.47Å
137N83.4Confident91.3Very high152 Ų15266.9 Ų66.981%0.81332%0.316SS*.EExtended strand (participates in β ladder)trans-77.2-31.8-179.6-69-6.5000112.2
138D93Very high91.2Very high110 Ų11068.1 Ų68.159%0.58833%0.325SS*.EExtended strand (participates in β ladder)trans-91.13-177.1-58.7-39.5000113.5S166 K167D138-S166 PolarHBondContact O-OG 3.08Å; D138-K167 WeakPolarHBondContact O-CB 3.17Å; D138-K167 PolarHBondContact O-N 3.13Å
139T96.3Very high91.1Very high8 Ų870 Ų705%0.04934%0.335CS..EExtended strand (participates in β ladder)trans-133.1119.1-174.9-45.60000112.2E108 I133 K136 K167 L169E108-T139 HydrophobicContact CG-CG2 3.97Å; E108-T139 PolarHBondContact OE1-OG1 3.04Å; I133-T139 HydrophobicContact CD1-CG2 4.06Å; K136-T139 HydrophobicContact CD-CG2 4.47Å; T139-K167 WeakPolarHBondContact CA-O 3.43Å; T139-K167 HydrophobicContact CG2-CB 4.34Å; T139-L169 HydrophobicContact CG2-CG 4.15Å
140G95.9Very high91Very high0 Ų070.3 Ų70.30%034%0.34CS..EExtended strand (participates in β ladder)trans-99.4166.3173.400000112.1T131 K167 F168 L169T131-G140 CarbonylContact O-C 3.24Å; T131-G140 WeakPolarHBondContact O-CA 3.5Å; G140-K167 PolarHBondContact N-O 3.4Å; G140-F168 CarbonylContact O-C 3.05Å; G140-F168 WeakPolarHBondContact O-CA 3.21Å; G140-L169 PolarHBondContact O-N 2.85Å
141R93.8Very high90.7Very high117 Ų11777 Ų7744%0.44238%0.375SS..EExtended strand (participates in β ladder)trans-96.6121164.1178.6-171.4-55.6-151.8-1.2108C130 T131 I133 E143 L171C130-R141 CarbonylContact C-O 3.41Å; C130-R141 WeakPolarHBondContact CA-O 3.36Å; C130-R141 WeakPolarHBondContact CB-O 3.39Å; T131-R141 PolarHBondContact N-O 3.05Å; T131-R141 PolarHBondContact O-N 3.05Å; I133-R141 HydrophobicContact CD1-CB 4.4Å; I133-R141 HydrophobicContact CG1-CB 4.27Å; R141-E143 PolarHBondContact O-N 3.29Å; R141-L171 HydrophobicContact CG-CD1 3.92Å; R141-L171 HydrophobicContact CG-CG 4.17Å; R141-L171 VanDerWaalsContact CZ-CD1 3.4Å
142L94Very high90.6Very high18 Ų1879.3 Ų79.39%0.09439%0.389CS..EExtended strand (participates in β ladder)trans-65.5125.5176.3-178.967.9000110L114 L128 I145 F168 L169 F170L114-L142 HydrophobicContact CD1-CD2 3.91Å; L128-L142 HydrophobicContact CB-CD1 4.5Å; L142-I145 HydrophobicContact CD1-CG1 4.11Å; L142-I145 HydrophobicContact CD2-CD1 4.11Å; L142-I145 HydrophobicContact CD2-CG1 4.25Å; L142-F168 HydrophobicContact CB-CB 4.47Å; L142-F168 HydrophobicContact CB-CD2 3.72Å; L142-F168 HydrophobicContact CB-CE2 4.39Å; L142-F168 HydrophobicContact CB-CG 4.35Å; L142-F168 HydrophobicContact CD2-CD2 4.04Å; L142-F168 HydrophobicContact CD2-CE2 3.86Å; L142-F168 HydrophobicContact CG-CD2 4.4Å; L142-L169 PolarHBondContact N-O 3.1Å; L142-F170 HydrophobicContact CD2-CD2 4.08Å; L142-F170 HydrophobicContact CD2-CG 4.31Å
143E88.6Confident90.6Very high95 Ų9574 Ų7444%0.44436%0.36SS..EExtended strand (participates in β ladder)trans-116.7-32.7178.7-66.4-161.1163.600113.2R129 T131 R141R129-E143 PolarHBondContact O-N 2.9Å; T131-E143 WeakPolarHBondContact CB-OE1 3.16Å; T131-E143 HydrophobicContact CG2-CG 4.18Å; T131-E143 WeakPolarHBondContact CG2-OE1 3.45Å; T131-E143 WeakPolarHBondContact CG2-OE2 3.35Å; T131-E143 PolarHBondContact OG1-OE1 3.01Å; R141-E143 PolarHBondContact O-N 3.29Å
144E90.3Very high90.7Very high19 Ų1977 Ų779%0.08938%0.376CS..EExtended strand (participates in β ladder)trans-148.9141.6-174.1-147-169.3133.200111R129 R146 K181 Y184R129-E144 HydrophobicContact CB-CB 3.52Å; R129-E144 HydrophobicContact CG-CB 4.31Å; R129-E144 PolarHBondContact N-O 2.74Å; R129-E144 PolarHBondContact O-N 3.16Å; E144-R146 VanDerWaalsContact CD-NE 3.34Å; E144-R146 VanDerWaalsContact OE1-CG 3.22Å; E144-R146 WeakPolarHBondContact OE1-CG 3.42Å; E144-R146 IonicContact OE1-CZ 3.58Å; E144-R146 IonicContact OE1-NE 2.74Å; E144-R146 PolarHBondContact OE1-NE 2.75Å; E144-R146 IonicContact OE1-NH2 2.81Å; E144-R146 PolarHBondContact OE1-NH2 2.91Å; E144-R146 IonicContact OE2-CZ 3.5Å; E144-R146 IonicContact OE2-NE 2.71Å; E144-R146 PolarHBondContact OE2-NE 2.76Å; E144-R146 IonicContact OE2-NH2 3.52Å; E144-R146 PolarHBondContact OE2-NH2 2.98Å; E144-K181 HydrophobicContact CG-CB 4.12Å; E144-Y184 VanDerWaalsContact OE1-CE2 3.27Å; E144-Y184 WeakPolarHBondContact OE1-CE2 3.26Å
145I93.6Very high91Very high28 Ų2870.7 Ų70.714%0.14435%0.349CS..EExtended strand (participates in β ladder)trans-121.6127.1167.8-59168.7000106.5L92 L96 L114 L118 S127 L128 L142L92-I145 HydrophobicContact CD2-CB 3.67Å; L92-I145 HydrophobicContact CD2-CD1 3.64Å; L92-I145 HydrophobicContact CD2-CG1 4.25Å; L92-I145 HydrophobicContact CD2-CG2 3.71Å; L92-I145 HydrophobicContact CG-CD1 4.23Å; L96-I145 HydrophobicContact CD1-CD1 3.69Å; L114-I145 HydrophobicContact CD1-CD1 4.08Å; L114-I145 HydrophobicContact CD2-CD1 4.25Å; L118-I145 HydrophobicContact CD1-CG2 3.74Å; L118-I145 HydrophobicContact CD2-CG2 4.23Å; S127-I145 CarbonylContact O-C 3.15Å; S127-I145 WeakPolarHBondContact O-CA 3.15Å; L128-I145 HydrophobicContact CD2-CB 4.22Å; L128-I145 HydrophobicContact CD2-CG1 3.81Å; L128-I145 HydrophobicContact CD2-CG2 3.92Å; L142-I145 HydrophobicContact CD1-CG1 4.11Å; L142-I145 HydrophobicContact CD2-CD1 4.11Å; L142-I145 HydrophobicContact CD2-CG1 4.25Å
146R91.8Very high91.5Very high33 Ų3362.8 Ų62.813%0.12532%0.318CS..EExtended strand (participates in β ladder)trans-111.2129.7178-52.6173.7178.9158.22.8109.8T12 G126 S127 E144T12-R146 PolarHBondContact O-NH1 3.49Å; G126-R146 VanDerWaalsContact CA-O 3.32Å; G126-R146 WeakPolarHBondContact CA-O 3.46Å; S127-R146 PolarHBondContact N-O 2.84Å; S127-R146 PolarHBondContact O-N 3.5Å; E144-R146 VanDerWaalsContact CD-NE 3.34Å; E144-R146 VanDerWaalsContact OE1-CG 3.22Å; E144-R146 WeakPolarHBondContact OE1-CG 3.42Å; E144-R146 IonicContact OE1-CZ 3.58Å; E144-R146 IonicContact OE1-NE 2.74Å; E144-R146 PolarHBondContact OE1-NE 2.75Å; E144-R146 IonicContact OE1-NH2 2.81Å; E144-R146 PolarHBondContact OE1-NH2 2.91Å; E144-R146 IonicContact OE2-CZ 3.5Å; E144-R146 IonicContact OE2-NE 2.71Å; E144-R146 PolarHBondContact OE2-NE 2.76Å; E144-R146 IonicContact OE2-NH2 3.52Å; E144-R146 PolarHBondContact OE2-NH2 2.98Å
147L93.3Very high92Very high41 Ų4162.8 Ų62.822%0.21532%0.322CS..  trans-102.6139.4164.4-57.9176.9000107.3A90 L118 F122 F155A90-L147 HydrophobicContact CB-CD1 3.82Å; L118-L147 HydrophobicContact CD1-CD2 4.47Å; L118-L147 HydrophobicContact CD2-CD2 4.21Å; F122-L147 HydrophobicContact CD1-CD1 4.23Å; F122-L147 HydrophobicContact CD2-CD1 4.18Å; F122-L147 HydrophobicContact CD2-CD2 3.66Å; F122-L147 HydrophobicContact CE1-CD1 3.88Å; F122-L147 HydrophobicContact CE2-CD1 3.82Å; F122-L147 HydrophobicContact CE2-CD2 3.84Å; F122-L147 HydrophobicContact CG-CD1 4.38Å; F122-L147 HydrophobicContact CG-CD2 4.23Å; F122-L147 HydrophobicContact CZ-CD1 3.66Å; L147-F155 HydrophobicContact CB-CD1 4.26Å; L147-F155 HydrophobicContact CB-CE1 4.07Å; L147-F155 HydrophobicContact CD1-CE1 3.84Å; L147-F155 HydrophobicContact CD1-CZ 4.45Å
148C91.7Very high92.4Very high29 Ų2955.7 Ų55.720%0.19629%0.285CS..EExtended strand (participates in β ladder)trans-109144-178.9-61.80000110.1F155 T156 C158C148-F155 WeakPolarHBondContact O-CA 3.47Å; C148-T156 HydrophobicContact CB-CG2 4.18Å; C148-T156 PolarHBondContact O-N 2.89Å; C148-C158 HydrophobicContact CB-CB 4Å; C148-C158 WeakPolarHBondContact CB-SG 3.44Å; C148-C158 PolarHBondContact N-SG 3.21Å; C148-C158 VanDerWaalsContact N-SG 3.4Å; C148-C158 WeakPolarHBondContact SG-CA 3.41Å; C148-C158 WeakPolarHBondContact SG-CB 3.31Å; C148-C158 CovalentContact SG-SG 2.05Å; C148-C158 PolarHBondContact SG-SG 2.77Å
149L92Very high92.2Very high40 Ų4055.5 Ų55.521%0.20929%0.289CS..EExtended strand (participates in β ladder)trans-117.5153.8177.6-57.7175.6000109.7F82 L86 N154 F155 T156 F185F82-L149 HydrophobicContact CE1-CD1 4.02Å; F82-L149 HydrophobicContact CZ-CD1 4.14Å; L86-L149 HydrophobicContact CD1-CD1 3.51Å; L86-L149 HydrophobicContact CD2-CD1 3.67Å; L86-L149 HydrophobicContact CD2-CD2 4.48Å; L86-L149 HydrophobicContact CG-CD1 4.22Å; L149-N154 CarbonylContact C-O 3.51Å; L149-N154 WeakPolarHBondContact CA-O 3.1Å; L149-F155 HydrophobicContact CD2-CD1 3.51Å; L149-F155 HydrophobicContact CD2-CE1 3.8Å; L149-F155 HydrophobicContact CD2-CG 4.09Å; L149-T156 VanDerWaalsContact C-CG2 3.46Å; L149-F185 HydrophobicContact CD1-CE1 4.13Å
150N90Very high91.8Very high64 Ų6457.2 Ų57.234%0.34230%0.3SS..  trans-88.7178.3166.767.515.2000110.9T152 H153 N154 T156N150-T152 PolarHBondContact ND2-OG1 2.92Å; N150-T152 PolarHBondContact O-N 2.96Å; N150-T152 VanDerWaalsContact O-N 3.12Å; N150-T152 WeakPolarHBondContact OD1-CA 3.39Å; N150-T152 PolarHBondContact OD1-N 2.77Å; N150-T152 PolarHBondContact OD1-OG1 2.97Å; N150-H153 WeakPolarHBondContact O-CA 3.37Å; N150-H153 PolarHBondContact O-N 3.45Å; N150-H153 PolarHBondContact OD1-N 3.1Å; N150-H153 VanDerWaalsContact OD1-N 3.14Å; N150-N154 PolarHBondContact N-O 3.21Å; N150-N154 PolarHBondContact OD1-N 3.19Å; N150-N154 PolarHBondContact OD1-O 3.27Å; N150-T156 HydrophobicContact CB-CG2 4.3Å
151L86.8Confident91.4Very high143 Ų14361.2 Ų61.275%0.74932%0.321SS*.THydrogen-bonded Turntrans-65.3-11.9179.2-61.7178000114.2
152T90.5Very high91.2Very high92 Ų9257 Ų5756%0.56431%0.314SS*.THydrogen-bonded Turntrans-99.915.7172.162.20000112.3N150 N154N150-T152 PolarHBondContact ND2-OG1 2.92Å; N150-T152 PolarHBondContact O-N 2.96Å; N150-T152 VanDerWaalsContact O-N 3.12Å; N150-T152 WeakPolarHBondContact OD1-CA 3.39Å; N150-T152 PolarHBondContact OD1-N 2.77Å; N150-T152 PolarHBondContact OD1-OG1 2.97Å; T152-N154 PolarHBondContact O-N 3.06Å; T152-N154 PolarHBondContact O-ND2 3.18Å; T152-N154 PolarHBondContact OG1-ND2 2.83Å
153H91.2Very high91.1Very high35 Ų3558.8 Ų58.816%0.16232%0.323CS..SBendtrans64.317.3175.6-60.3-178.4000114.6D70 L72 F82 N150D70-H153 IonicContact OD1-CE1 2.51Å; D70-H153 IonicContact OD1-NE2 3.75Å; D70-H153 PolarHBondContact OD1-NE2 3.24Å; D70-H153 IonicContact OD2-CD2 3.76Å; D70-H153 IonicContact OD2-CE1 3.46Å; D70-H153 IonicContact OD2-NE2 3.85Å; D70-H153 PolarHBondContact OD2-NE2 3.31Å; L72-H153 VanDerWaalsContact CB-CE1 3.46Å; L72-H153 WeakPolarHBondContact CB-CE1 3.48Å; F82-H153 HydrophobicContact CE2-CB 4.26Å; F82-H153 AromaticContact CE2-CE1 3.99Å; F82-H153 AromaticContact CE2-CG 3.98Å; F82-H153 AromaticContact CE2-ND1 3.31Å; F82-H153 VanDerWaalsContact CE2-ND1 3.31Å; F82-H153 WeakPolarHBondContact CE2-ND1 3.48Å; F82-H153 HydrophobicContact CZ-CB 3.79Å; F82-H153 AromaticContact CZ-CE1 3.94Å; F82-H153 AromaticContact CZ-CG 3.56Å; F82-H153 AromaticContact CZ-ND1 3.34Å; F82-H153 VanDerWaalsContact CZ-ND1 3.34Å; F82-H153 WeakPolarHBondContact CZ-ND1 3.33Å; N150-H153 WeakPolarHBondContact O-CA 3.37Å; N150-H153 PolarHBondContact O-N 3.45Å; N150-H153 PolarHBondContact OD1-N 3.1Å; N150-H153 VanDerWaalsContact OD1-N 3.14Å
154N92.8Very high91.5Very high98 Ų9855.2 Ų55.252%0.52431%0.309SS..  trans-89.7147.7172.9-65.6-68000110.5L149 N150 T152L149-N154 CarbonylContact C-O 3.51Å; L149-N154 WeakPolarHBondContact CA-O 3.1Å; N150-N154 PolarHBondContact N-O 3.21Å; N150-N154 PolarHBondContact OD1-N 3.19Å; N150-N154 PolarHBondContact OD1-O 3.27Å; T152-N154 PolarHBondContact O-N 3.06Å; T152-N154 PolarHBondContact O-ND2 3.18Å; T152-N154 PolarHBondContact OG1-ND2 2.83Å
155F93.9Very high91.7Very high63 Ų6355.8 Ų55.828%0.27631%0.314SS..EExtended strand (participates in β ladder)trans-53.9142.2171.6-65.3-66.2000111F122 H124 L147 C148 L149F122-F155 HydrophobicContact CB-CD2 4.34Å; F122-F155 HydrophobicContact CB-CG 4.2Å; F122-F155 HydrophobicContact CD1-CD1 4.36Å; F122-F155 HydrophobicContact CD1-CD2 4.02Å; F122-F155 HydrophobicContact CD1-CE1 4.03Å; F122-F155 AromaticContact CD1-CE2 3.66Å; F122-F155 HydrophobicContact CD1-CE2 3.66Å; F122-F155 HydrophobicContact CD1-CG 4.37Å; F122-F155 AromaticContact CD1-CZ 3.66Å; F122-F155 HydrophobicContact CD1-CZ 3.66Å; F122-F155 HydrophobicContact CE1-CE1 4.46Å; F122-F155 HydrophobicContact CE1-CE2 4.26Å; F122-F155 AromaticContact CE1-CZ 3.97Å; F122-F155 HydrophobicContact CE1-CZ 3.97Å; H124-F155 PolarHBondContact CD2-O 3.31Å; H124-F155 PolarHBondContact NE2-O 2.88Å; L147-F155 HydrophobicContact CB-CD1 4.26Å; L147-F155 HydrophobicContact CB-CE1 4.07Å; L147-F155 HydrophobicContact CD1-CE1 3.84Å; L147-F155 HydrophobicContact CD1-CZ 4.45Å; C148-F155 WeakPolarHBondContact O-CA 3.47Å; L149-F155 HydrophobicContact CD2-CD1 3.51Å; L149-F155 HydrophobicContact CD2-CE1 3.8Å; L149-F155 HydrophobicContact CD2-CG 4.09Å
156T94.7Very high91.8Very high45 Ų4557.8 Ų57.828%0.27633%0.331SS..EExtended strand (participates in β ladder)trans-146.8170.1177.3-168.50000110.1H124 C148 L149 N150 C158H124-T156 VanDerWaalsContact CB-C 3.42Å; H124-T156 WeakPolarHBondContact CB-O 3.47Å; H124-T156 VanDerWaalsContact CG-C 3.48Å; H124-T156 VanDerWaalsContact CG-CA 3.48Å; C148-T156 HydrophobicContact CB-CG2 4.18Å; C148-T156 PolarHBondContact O-N 2.89Å; L149-T156 VanDerWaalsContact C-CG2 3.46Å; N150-T156 HydrophobicContact CB-CG2 4.3Å; T156-C158 PolarHBondContact O-N 3.26Å
157N94.9Very high92.1Very high88 Ų8860 Ų6047%0.47134%0.341SS..  trans-66.7128.3175.4-68.8-43.1000110.5N125N125-N157 PolarHBondContact N-OD1 2.95Å; N125-N157 VanDerWaalsContact OD1-CA 3.27Å; N125-N157 WeakPolarHBondContact OD1-CA 3.34Å
158C91.2Very high92.3Very high4 Ų458.1 Ų58.13%0.02733%0.331CS..  trans-64.1138.1164.4-700000111.1N125 C148 T156 V160N125-C158 PolarHBondContact ND2-O 3.18Å; N125-C158 WeakPolarHBondContact OD1-CA 3.31Å; N125-C158 PolarHBondContact OD1-N 3.34Å; N125-C158 PolarHBondContact OD1-O 2.9Å; C148-C158 HydrophobicContact CB-CB 4Å; C148-C158 WeakPolarHBondContact CB-SG 3.44Å; C148-C158 PolarHBondContact N-SG 3.21Å; C148-C158 VanDerWaalsContact N-SG 3.4Å; C148-C158 WeakPolarHBondContact SG-CA 3.41Å; C148-C158 WeakPolarHBondContact SG-CB 3.31Å; C148-C158 CovalentContact SG-SG 2.05Å; C148-C158 PolarHBondContact SG-SG 2.77Å; T156-C158 PolarHBondContact O-N 3.26Å; C158-V160 VanDerWaalsContact C-N 3.31Å; C158-V160 PolarHBondContact O-N 3.14Å
159P89Confident92.5Very high105 Ų10557.7 Ų57.768%0.68233%0.327SS*.SBendtrans-71.3-23.9-178.826.5-33.8000113.3L14L14-P159 HydrophobicContact CD1-CG 3.9Å; L14-P159 HydrophobicContact CD2-CG 3.8Å
160V87.9Confident92.6Very high44 Ų4456 Ų5627%0.26732%0.318SS..  trans-126.7131.2175.9174.20000109L14 S127 C158 G162L14-V160 HydrophobicContact CD1-CB 3.84Å; L14-V160 HydrophobicContact CD1-CG2 4.22Å; L14-V160 HydrophobicContact CD2-CB 4.24Å; L14-V160 HydrophobicContact CD2-CG2 3.66Å; L14-V160 HydrophobicContact CG-CB 4.11Å; L14-V160 HydrophobicContact CG-CG2 4.03Å; S127-V160 WeakPolarHBondContact CB-O 3.46Å; S127-V160 PolarHBondContact OG-O 3.11Å; C158-V160 VanDerWaalsContact C-N 3.31Å; C158-V160 PolarHBondContact O-N 3.14Å; V160-G162 PolarHBondContact O-N 3.42Å
161L88.5Confident92.6Very high85 Ų8555 Ų5545%0.44531%0.312SS..  trans-78.6-7.9-179.1-64.1-178.7000113.9N125 S127 L128N125-L161 HydrophobicContact CB-CD2 3.87Å; N125-L161 WeakPolarHBondContact ND2-CD2 3.46Å; S127-L161 WeakPolarHBondContact CA-O 3.27Å; L128-L161 PolarHBondContact N-O 3.16Å
162G89Confident92.7Very high28 Ų2851.7 Ų51.729%0.28930%0.3SS..BIsolated β-bridgetrans101.9-159.9177.400000112.3S127 L128 V160S127-G162 WeakPolarHBondContact OG-CA 3.48Å; S127-G162 PolarHBondContact OG-N 3.27Å; L128-G162 CarbonylContact O-C 3.47Å; L128-G162 WeakPolarHBondContact O-CA 3.27Å; V160-G162 PolarHBondContact O-N 3.42Å
163D92.3Very high91.9Very high55 Ų5550.4 Ų50.429%0.29429%0.286SS..  trans-135.413.7-171.382.5-49.9000113.9T12 L128 R129 C130T12-D163 HydrophobicContact CG2-CB 4.35Å; L128-D163 PolarHBondContact O-N 3.04Å; R129-D163 WeakPolarHBondContact CA-OD1 3.26Å; R129-D163 IonicContact CZ-OD1 3.49Å; R129-D163 IonicContact CZ-OD2 3.37Å; R129-D163 IonicContact NH1-OD1 2.76Å; R129-D163 PolarHBondContact NH1-OD1 2.91Å; R129-D163 IonicContact NH1-OD2 3.69Å; R129-D163 PolarHBondContact NH1-OD2 2.62Å; C130-D163 PolarHBondContact N-OD1 2.94Å
164C95.4Very high90.7Very high21 Ų2154.2 Ų54.214%0.14232%0.317CS..  trans-60.6135.5168.6-69.40000111T111 L128 R129 C130T111-C164 HydrophobicContact CG2-CB 3.86Å; L128-C164 HydrophobicContact CB-CB 4.17Å; L128-C164 VanDerWaalsContact CB-SG 3.56Å; L128-C164 PolarHBondContact O-N 3.42Å; R129-C164 VanDerWaalsContact C-SG 3.51Å; C130-C164 HydrophobicContact CB-CB 3.88Å; C130-C164 WeakPolarHBondContact CB-SG 3.49Å; C130-C164 PolarHBondContact N-SG 3.26Å; C130-C164 VanDerWaalsContact N-SG 3.41Å; C130-C164 VanDerWaalsContact SG-CA 3.57Å; C130-C164 WeakPolarHBondContact SG-CB 3.33Å; C130-C164 CovalentContact SG-SG 2.03Å; C130-C164 PolarHBondContact SG-SG 2.96Å
165P95.6Very high88.9Confident31 Ų3153.3 Ų53.320%0.20131%0.312CS..  trans-71.5-168.5173.631-32.8000110.5T111 K167T111-P165 VanDerWaalsContact CB-O 3.27Å; T111-P165 WeakPolarHBondContact CB-O 3.28Å; T111-P165 PolarHBondContact OG1-O 3.33Å; P165-K167 WeakPolarHBondContact CG-O 3.15Å; P165-K167 PolarHBondContact O-N 2.02Å
166S96.4Very high86.7Confident70 Ų7055 Ų5549%0.4933%0.331SS..SBendtrans-59.3-31.3-175.760.70000113.4T111 D138T111-S166 PolarHBondContact N-O 2.89Å; T111-S166 PolarHBondContact OG1-O 3.15Å; D138-S166 PolarHBondContact O-OG 3.08Å
167K97.8Very high84.1Confident80 Ų8058.4 Ų58.435%0.34835%0.348SS..EExtended strand (participates in β ladder)trans-125.1159.7176.3-60.3177.6-178.9175.70112.7E108 Y109 D138 T139 G140 P165E108-K167 HydrophobicContact CB-CD 4.36Å; E108-K167 WeakPolarHBondContact OE2-CD 3.43Å; E108-K167 IonicContact OE2-NZ 3.83Å; Y109-K167 CarbonylContact O-C 3.38Å; Y109-K167 WeakPolarHBondContact O-CA 3.31Å; Y109-K167 WeakPolarHBondContact O-CB 3.41Å; D138-K167 WeakPolarHBondContact O-CB 3.17Å; D138-K167 PolarHBondContact O-N 3.13Å; T139-K167 WeakPolarHBondContact CA-O 3.43Å; T139-K167 HydrophobicContact CG2-CB 4.34Å; G140-K167 PolarHBondContact N-O 3.4Å; P165-K167 WeakPolarHBondContact CG-O 3.15Å; P165-K167 PolarHBondContact O-N 2.02Å
168F96.9Very high82Confident0 Ų055.4 Ų55.40%033%0.331CS..EExtended strand (participates in β ladder)trans-141.3153.6171.466.6-85.7000113I101 E108 Y109 N110 L114 G140 L142 F170I101-F168 HydrophobicContact CG2-CZ 4.36Å; E108-F168 WeakPolarHBondContact CA-O 3.24Å; Y109-F168 HydrophobicContact CD2-CD2 4.45Å; Y109-F168 AromaticContact CD2-CE2 3.91Å; Y109-F168 HydrophobicContact CD2-CE2 3.91Å; Y109-F168 HydrophobicContact CD2-CZ 4.28Å; Y109-F168 HydrophobicContact CG-CE2 4.15Å; Y109-F168 HydrophobicContact CG-CZ 4.04Å; Y109-F168 PolarHBondContact N-O 3.26Å; Y109-F168 PolarHBondContact O-N 2.91Å; N110-F168 WeakPolarHBondContact O-CE1 3.27Å; L114-F168 HydrophobicContact CB-CE1 3.92Å; L114-F168 HydrophobicContact CB-CZ 3.87Å; L114-F168 HydrophobicContact CD1-CE1 4.04Å; L114-F168 HydrophobicContact CD1-CE2 3.89Å; L114-F168 HydrophobicContact CD1-CZ 3.38Å; L114-F168 HydrophobicContact CG-CZ 4.24Å; G140-F168 CarbonylContact O-C 3.05Å; G140-F168 WeakPolarHBondContact O-CA 3.21Å; L142-F168 HydrophobicContact CB-CB 4.47Å; L142-F168 HydrophobicContact CB-CD2 3.72Å; L142-F168 HydrophobicContact CB-CE2 4.39Å; L142-F168 HydrophobicContact CB-CG 4.35Å; L142-F168 HydrophobicContact CD2-CD2 4.04Å; L142-F168 HydrophobicContact CD2-CE2 3.86Å; L142-F168 HydrophobicContact CG-CD2 4.4Å; F168-F170 HydrophobicContact CD2-CB 4.26Å; F168-F170 HydrophobicContact CE2-CB 4Å
169L95.7Very high79.8Confident20 Ų2057.1 Ų57.111%0.10534%0.34CS..EExtended strand (participates in β ladder)trans-92.6131.8161.5-66.9-179.3000109.1K107 E108 I133 T139 G140 L142 L171K107-L169 WeakPolarHBondContact O-CD2 3.42Å; E108-L169 HydrophobicContact CG-CD2 3.69Å; I133-L169 HydrophobicContact CD1-CB 4.35Å; I133-L169 HydrophobicContact CD1-CD1 3.56Å; I133-L169 HydrophobicContact CD1-CG 3.95Å; T139-L169 HydrophobicContact CG2-CG 4.15Å; G140-L169 PolarHBondContact O-N 2.85Å; L142-L169 PolarHBondContact N-O 3.1Å; L169-L171 HydrophobicContact CB-CD2 4.1Å; L169-L171 HydrophobicContact CD1-CD2 4.28Å
170F94.4Very high77.5Confident4 Ų452.9 Ų52.92%0.01831%0.312CS..  trans-104.189.9170.6-179-159.6000108.5L93 L96 I101 T102 P103 N104 Y109 L142 F168 F173 L179L93-F170 HydrophobicContact CD1-CE1 4.19Å; L93-F170 HydrophobicContact CD1-CZ 3.98Å; L96-F170 HydrophobicContact CD1-CE1 4.36Å; I101-F170 HydrophobicContact CG2-CD1 4.16Å; T102-F170 VanDerWaalsContact C-CD1 3.43Å; P103-F170 CarbonylContact C-O 3.47Å; P103-F170 VanDerWaalsContact CA-O 3.23Å; P103-F170 WeakPolarHBondContact CA-O 3.22Å; P103-F170 HydrophobicContact CB-CD1 4.44Å; P103-F170 HydrophobicContact CB-CE1 4.35Å; P103-F170 HydrophobicContact CB-CZ 4.46Å; P103-F170 HydrophobicContact CG-CD1 4.19Å; P103-F170 HydrophobicContact CG-CE1 3.65Å; P103-F170 HydrophobicContact CG-CE2 4.29Å; P103-F170 HydrophobicContact CG-CZ 3.71Å; N104-F170 PolarHBondContact N-O 3.15Å; Y109-F170 HydrophobicContact CD2-CB 4.31Å; Y109-F170 HydrophobicContact CE2-CB 4.14Å; L142-F170 HydrophobicContact CD2-CD2 4.08Å; L142-F170 HydrophobicContact CD2-CG 4.31Å; F168-F170 HydrophobicContact CD2-CB 4.26Å; F168-F170 HydrophobicContact CE2-CB 4Å; F170-F173 AromaticContact CE2-CE2 3.6Å; F170-F173 HydrophobicContact CE2-CE2 3.6Å; F170-F173 AromaticContact CE2-CZ 3.58Å; F170-F173 HydrophobicContact CE2-CZ 3.58Å; F170-F173 AromaticContact CZ-CE2 3.89Å; F170-F173 HydrophobicContact CZ-CE2 3.89Å; F170-F173 HydrophobicContact CZ-CZ 4.24Å; F170-L179 HydrophobicContact CE2-CD2 4.17Å; F170-L179 HydrophobicContact CZ-CD1 4.47Å; F170-L179 HydrophobicContact CZ-CD2 4.22Å
171L91Very high75.3Confident44 Ų4456.3 Ų56.323%0.2332%0.323CS..PPolyproline II helixtrans-70.2146.5-171-62.7-176.9000112.3R141 L169R141-L171 HydrophobicContact CG-CD1 3.92Å; R141-L171 HydrophobicContact CG-CG 4.17Å; R141-L171 VanDerWaalsContact CZ-CD1 3.4Å; L169-L171 HydrophobicContact CB-CD2 4.1Å; L169-L171 HydrophobicContact CD1-CD2 4.28Å
172P87.5Confident73.1Confident74 Ų7452.6 Ų52.648%0.48131%0.305SS..PPolyproline II helixtrans-57.8139.5169.3-20.933.6000111.3P103 A105P103-P172 HydrophobicContact CB-CB 4.39Å; A105-P172 HydrophobicContact CB-CG 4.41Å
173F74Confident70.8Confident65 Ų6553.4 Ų53.429%0.28530%0.302SS..PPolyproline II helixtrans-80.2144.8170.1-54.7-79000109.4P103 F170 N175 Q178 L179P103-F173 HydrophobicContact CG-CD2 4.45Å; P103-F173 HydrophobicContact CG-CE2 4.28Å; F170-F173 AromaticContact CE2-CE2 3.6Å; F170-F173 HydrophobicContact CE2-CE2 3.6Å; F170-F173 AromaticContact CE2-CZ 3.58Å; F170-F173 HydrophobicContact CE2-CZ 3.58Å; F170-F173 AromaticContact CZ-CE2 3.89Å; F170-F173 HydrophobicContact CZ-CE2 3.89Å; F170-F173 HydrophobicContact CZ-CZ 4.24Å; F173-N175 VanDerWaalsContact CB-O 3.23Å; F173-N175 WeakPolarHBondContact CB-O 3.31Å; F173-N175 PolarHBondContact O-N 3.35Å; F173-Q178 HydrophobicContact CB-CB 4.34Å; F173-Q178 HydrophobicContact CD1-CB 4.06Å; F173-Q178 WeakPolarHBondContact CD1-O 3.27Å; F173-Q178 WeakPolarHBondContact CE1-O 3.43Å; F173-Q178 HydrophobicContact CG-CB 4.16Å; F173-Q178 WeakPolarHBondContact CZ-O 3.41Å; F173-L179 HydrophobicContact CE1-CD2 4.38Å; F173-L179 HydrophobicContact CE2-CD2 3.96Å; F173-L179 HydrophobicContact CE2-CG 4.34Å; F173-L179 HydrophobicContact CZ-CD2 3.44Å; F173-L179 VanDerWaalsContact CZ-CD2 3.44Å; F173-L179 HydrophobicContact CZ-CG 4.24Å
174S66.3Low68.4Low115 Ų11553.6 Ų53.680%0.80430%0.299SS*.SBendtrans-62.2-25.2171.948.90000112.2
175N55.5Low65.7Low79 Ų7953.8 Ų53.842%0.42230%0.297SS..SBendtrans-126.9130.6174.2-70.6-31.6000110.7L49 F173 N177 Q178L49-N175 WeakPolarHBondContact CD1-ND2 3.41Å; F173-N175 VanDerWaalsContact CB-O 3.23Å; F173-N175 WeakPolarHBondContact CB-O 3.31Å; F173-N175 PolarHBondContact O-N 3.35Å; N175-N177 VanDerWaalsContact C-N 3.26Å; N175-N177 PolarHBondContact O-N 3.34Å; N175-Q178 HydrophobicContact CB-CG 4.34Å
176S46.2Very low63.2Low98 Ų9858.2 Ų58.269%0.68531%0.311SS*.THydrogen-bonded Turntrans-66.7-2.3-16153.90000118.1
177N41.8Very low61.5Low116 Ų11657.6 Ų57.662%0.6230%0.302SS*.THydrogen-bonded Turntrans-117.415.1-172.6-71.9-30.6000115.3N175 L179N175-N177 VanDerWaalsContact C-N 3.26Å; N175-N177 PolarHBondContact O-N 3.34Å; N177-L179 PolarHBondContact O-N 2.92Å
178Q50Low59.6Low25 Ų2556.4 Ų56.412%0.11730%0.3CS..  trans-101.682.4-161.9-64.2-178.5-10.600114.1L46 F173 N175L46-Q178 HydrophobicContact CD2-CB 3.98Å; L46-Q178 HydrophobicContact CD2-CG 3.94Å; F173-Q178 HydrophobicContact CB-CB 4.34Å; F173-Q178 HydrophobicContact CD1-CB 4.06Å; F173-Q178 WeakPolarHBondContact CD1-O 3.27Å; F173-Q178 WeakPolarHBondContact CE1-O 3.43Å; F173-Q178 HydrophobicContact CG-CB 4.16Å; F173-Q178 WeakPolarHBondContact CZ-O 3.41Å; N175-Q178 HydrophobicContact CB-CG 4.34Å
179L44.5Very low57.6Low41 Ų4159.6 Ų59.622%0.21532%0.316CS..  trans-12466.6159.1-77-172.9000110.1F87 L92 L93 F170 F173 N177F87-L179 WeakPolarHBondContact CE2-O 3.43Å; L92-L179 HydrophobicContact CB-CD1 4.34Å; L92-L179 HydrophobicContact CD2-CD1 4.49Å; L92-L179 HydrophobicContact CG-CD1 4.3Å; L93-L179 HydrophobicContact CB-CD1 3.59Å; L93-L179 HydrophobicContact CB-CG 4.29Å; L93-L179 HydrophobicContact CD1-CD1 4.06Å; L93-L179 HydrophobicContact CG-CD1 4.36Å; F170-L179 HydrophobicContact CE2-CD2 4.17Å; F170-L179 HydrophobicContact CZ-CD1 4.47Å; F170-L179 HydrophobicContact CZ-CD2 4.22Å; F173-L179 HydrophobicContact CE1-CD2 4.38Å; F173-L179 HydrophobicContact CE2-CD2 3.96Å; F173-L179 HydrophobicContact CE2-CG 4.34Å; F173-L179 HydrophobicContact CZ-CD2 3.44Å; F173-L179 VanDerWaalsContact CZ-CD2 3.44Å; F173-L179 HydrophobicContact CZ-CG 4.24Å; N177-L179 PolarHBondContact O-N 2.92Å
180V42.1Very low55.3Low16 Ų1661.9 Ų61.910%0.09733%0.329CS..  trans-137.8106.4161.8-1770000109.5H42 W43 F87H42-V180 WeakPolarHBondContact O-CG2 3.46Å; W43-V180 HydrophobicContact CG-CG1 4.14Å; F87-V180 HydrophobicContact CD2-CG2 3.13Å; F87-V180 HydrophobicContact CE2-CG2 3.26Å; F87-V180 HydrophobicContact CG-CG2 3.82Å; F87-V180 HydrophobicContact CZ-CG2 4.07Å
181K40.7Very low52.9Low116 Ų11665.5 Ų65.550%0.50435%0.348SS..SBendtrans-110.1138.6139.8-94-175.5174.3178.90107E144E144-K181 HydrophobicContact CG-CB 4.12Å
182S42.5Very low50.4Low7 Ų766.9 Ų66.95%0.04936%0.356CS..  trans-12.7130.8-173.755.80000118.1E59 Y184E59-S182 VanDerWaalsContact OE2-CB 3.27Å; E59-S182 WeakPolarHBondContact OE2-CB 3.45Å; S182-Y184 VanDerWaalsContact O-CD2 3.31Å; S182-Y184 WeakPolarHBondContact O-CD2 3.49Å; S182-Y184 PolarHBondContact O-N 3.44Å; S182-Y184 WeakPolarHBondContact OG-CE2 3.42Å; S182-Y184 PolarHBondContact OG-OH 2.94Å
183N40.3Very low47.7Very low44 Ų4466.4 Ų66.424%0.23535%0.347CS..PPolyproline II helixtrans-66117.7152.1-62.9-60.5000107.5G83 L86 F185G83-N183 WeakPolarHBondContact CA-ND2 3.44Å; G83-N183 PolarHBondContact O-ND2 3.32Å; L86-N183 HydrophobicContact CD1-CB 4.43Å; N183-F185 HydrophobicContact CB-CE2 3.89Å; N183-F185 HydrophobicContact CB-CZ 4.16Å
184Y42.3Very low45.7Very low60 Ų6066.5 Ų66.524%0.23535%0.352CS..PPolyproline II helixtrans-89.1117.9171.5-63.9-90000108.6H63 E144 S182 Y186H63-Y184 AromaticContact CD2-CE1 3.93Å; H63-Y184 AromaticContact CE1-CD1 3.36Å; H63-Y184 WeakPolarHBondContact CE1-CD1 3.04Å; H63-Y184 AromaticContact CE1-CE1 3.27Å; H63-Y184 WeakPolarHBondContact CE1-CE1 2.97Å; H63-Y184 AromaticContact ND1-CD1 3.57Å; H63-Y184 AromaticContact ND1-CE1 3.95Å; H63-Y184 AromaticContact NE2-CD1 3.7Å; H63-Y184 AromaticContact NE2-CE1 3.26Å; H63-Y184 VanDerWaalsContact NE2-CE1 3.26Å; H63-Y184 WeakPolarHBondContact NE2-CE1 3.28Å; E144-Y184 VanDerWaalsContact OE1-CE2 3.27Å; E144-Y184 WeakPolarHBondContact OE1-CE2 3.26Å; S182-Y184 VanDerWaalsContact O-CD2 3.31Å; S182-Y184 WeakPolarHBondContact O-CD2 3.49Å; S182-Y184 PolarHBondContact O-N 3.44Å; S182-Y184 WeakPolarHBondContact OG-CE2 3.42Å; S182-Y184 PolarHBondContact OG-OH 2.94Å; Y184-Y186 HydrophobicContact CD1-CE2 4.29Å; Y184-Y186 AromaticContact CD1-CZ 3.85Å; Y184-Y186 VanDerWaalsContact CD1-OH 3.27Å; Y184-Y186 WeakPolarHBondContact CD1-OH 3.43Å; Y184-Y186 AromaticContact CG-CE2 3.98Å; Y184-Y186 HydrophobicContact CG-CE2 3.98Å
185F38.8Very low44Very low24 Ų2462.5 Ų62.511%0.10531%0.314CS..PPolyproline II helixtrans-89.8119.5164.5-68-73.4000108A67 Y79 F82 L86 L149 N183A67-F185 HydrophobicContact CB-CB 3.84Å; A67-F185 HydrophobicContact CB-CD2 4.06Å; A67-F185 HydrophobicContact CB-CG 3.98Å; Y79-F185 AromaticContact CD2-CD2 3.98Å; Y79-F185 HydrophobicContact CD2-CD2 3.98Å; Y79-F185 HydrophobicContact CD2-CE2 4.33Å; Y79-F185 AromaticContact CE2-CD2 3.77Å; Y79-F185 HydrophobicContact CE2-CD2 3.77Å; Y79-F185 HydrophobicContact CE2-CE2 4.23Å; F82-F185 AromaticContact CD1-CE1 3.56Å; F82-F185 HydrophobicContact CD1-CE1 3.56Å; F82-F185 AromaticContact CD1-CE2 3.97Å; F82-F185 HydrophobicContact CD1-CE2 3.97Å; F82-F185 AromaticContact CD1-CZ 3.15Å; F82-F185 HydrophobicContact CD1-CZ 3.15Å; F82-F185 HydrophobicContact CE1-CD1 4.4Å; F82-F185 AromaticContact CE1-CE1 3.25Å; F82-F185 HydrophobicContact CE1-CE1 3.25Å; F82-F185 HydrophobicContact CE1-CE2 4.44Å; F82-F185 AromaticContact CE1-CZ 3.27Å; F82-F185 HydrophobicContact CE1-CZ 3.27Å; F82-F185 HydrophobicContact CG-CZ 4.47Å; F82-F185 HydrophobicContact CZ-CE1 4.48Å; L86-F185 HydrophobicContact CD1-CE1 4.25Å; L86-F185 HydrophobicContact CD1-CZ 3.64Å; L149-F185 HydrophobicContact CD1-CE1 4.13Å; N183-F185 HydrophobicContact CB-CE2 3.89Å; N183-F185 HydrophobicContact CB-CZ 4.16Å
186Y42.9Very low42.9Very low124 Ų12461 Ų6149%0.48631%0.305SS..  trans-121.20170-60.9-69.6000109.2L14 P15 P19 Y184L14-Y186 HydrophobicContact CB-CE2 4.42Å; L14-Y186 WeakPolarHBondContact O-CE1 3.43Å; L14-Y186 PolarHBondContact O-OH 3.04Å; P15-Y186 HydrophobicContact CG-CD1 3.89Å; P15-Y186 HydrophobicContact CG-CE1 4.25Å; P15-Y186 HydrophobicContact CG-CG 4.18Å; P19-Y186 HydrophobicContact CG-CD1 4.37Å; Y184-Y186 HydrophobicContact CD1-CE2 4.29Å; Y184-Y186 AromaticContact CD1-CZ 3.85Å; Y184-Y186 VanDerWaalsContact CD1-OH 3.27Å; Y184-Y186 WeakPolarHBondContact CD1-OH 3.43Å; Y184-Y186 AromaticContact CG-CE2 3.98Å; Y184-Y186 HydrophobicContact CG-CE2 3.98Å

Retrieved 186 of 186 residues in 318.5 ms (Link to these results)

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