A0A087X1R7_HUMAN Loading...

Tubulin polyglutamylase complex subunit 2

AlphaFold DB , UniProt , Accession A0A087X1R7, Species HUMAN (Homo sapiens, Human), Gene TPGS2, Length 130 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
1M36.1Very low38.1Very low222 Ų222132.9 Ų132.9100%1.09479%0.79SS**  079.70-77.3165.4168.200104.9
2E35.5Very low38.6Very low172 Ų172130.3 Ų130.380%0.80478%0.781SS**  90.392.999.7-77.3164.1147.100107.5
3E41.3Very low39.8Very low165 Ų165122.5 Ų122.577%0.77174%0.736SS**  75.193.489.6-165.9179.4161.600111.3A5E3-A5 HydrophobicContact CG-CB 3.97Å
4E33.3Very low41.5Very low195 Ų195121.1 Ų121.191%0.91172%0.716SS**  trans-108.372.4153.1-90.1-116.1133.400106.9S6E4-S6 PolarHBondContact O-N 3.49Å; E4-S6 VanDerWaalsContact O-N 3.15Å
5A36.2Very low43.4Very low66 Ų66119.4 Ų119.455%0.54571%0.709SS.*  trans-66.4102.315600000106.4E3 S7E3-A5 HydrophobicContact CG-CB 3.97Å; A5-S7 PolarHBondContact O-N 3.02Å
6S35.7Very low45.2Very low110 Ų110115.9 Ų115.977%0.76968%0.683SS**  trans-66.3102.3172.133.80000108.4E4E4-S6 PolarHBondContact O-N 3.49Å; E4-S6 VanDerWaalsContact O-N 3.15Å
7S33.3Very low47Very low107 Ų107109.5 Ų109.575%0.74865%0.645SS**  trans-53.4125173.4-51.90000110.7A5 G9A5-S7 PolarHBondContact O-N 3.02Å; S7-G9 VanDerWaalsContact C-N 3.28Å; S7-G9 PolarHBondContact O-N 3.08Å
8P43.1Very low48.8Very low134 Ų134105.8 Ų105.887%0.8762%0.621SS**  trans-83.281170.432.6-28.3000107.5
9G37.6Very low50.6Low53 Ų53109 Ų10955%0.54663%0.626SS.*  trans-156.284.8-175.700000111.7S7S7-G9 VanDerWaalsContact C-N 3.28Å; S7-G9 PolarHBondContact O-N 3.08Å
10L42Very low52.1Low163 Ų163106.5 Ų106.585%0.85361%0.61SS**  170116.7126.4-114.268.6000107.5C12L10-C12 PolarHBondContact O-N 2.86Å
11G44.9Very low53.7Low75 Ų75101.6 Ų101.677%0.77358%0.582SS**  trans-58.990.2160.600000109
12C44.2Very low56Low101 Ų10198.3 Ų98.368%0.68257%0.568SS**  trans-126.276.1160.4-168.50000104.4L10 K14L10-C12 PolarHBondContact O-N 2.86Å; C12-K14 PolarHBondContact O-N 2.72Å
13S53.9Low58.4Low29 Ų2990.9 Ų90.920%0.20354%0.538CS..  trans-50.1111.4164.639.20000106.2E18S13-E18 WeakPolarHBondContact OG-CG 3.48Å; S13-E18 PolarHBondContact OG-OE1 3.26Å
14K64.6Low60.6Low104 Ų10485.4 Ų85.445%0.45251%0.513SS..  trans-52138.2175.9-58.1-177.6-164.9159.20107C12 H16 L17 E18 E41C12-K14 PolarHBondContact O-N 2.72Å; K14-H16 WeakPolarHBondContact CB-CE1 3.29Å; K14-H16 WeakPolarHBondContact CD-CE1 3.11Å; K14-H16 PolarHBondContact O-N 2.69Å; K14-L17 HydrophobicContact CB-CD1 4.44Å; K14-L17 HydrophobicContact CB-CG 4.37Å; K14-L17 WeakPolarHBondContact O-CA 3.34Å; K14-L17 VanDerWaalsContact O-CB 3.29Å; K14-L17 WeakPolarHBondContact O-CB 3.33Å; K14-L17 PolarHBondContact O-N 2.9Å; K14-E18 PolarHBondContact O-N 3.16Å; K14-E41 WeakPolarHBondContact CD-OE1 3.38Å; K14-E41 IonicContact NZ-OE1 3.78Å; K14-E41 IonicContact NZ-OE2 3.99Å; K14-E41 PolarHBondContact NZ-OE2 3.31Å
15P68.6Low63.1Low95 Ų9576.3 Ų76.362%0.61747%0.471SS*.Hα-helixtrans-59.3-21.5-170.320.2-32.7000113.8
16H72.5Confident65.5Low63 Ų6380 Ų8029%0.29247%0.471SS..Hα-helixtrans-75.4-28.5171.262.9-93.5000113.8K14 K19 L20 E41 M71K14-H16 WeakPolarHBondContact CB-CE1 3.29Å; K14-H16 WeakPolarHBondContact CD-CE1 3.11Å; K14-H16 PolarHBondContact O-N 2.69Å; H16-K19 PolarHBondContact O-N 2.85Å; H16-L20 WeakPolarHBondContact O-CB 3.27Å; H16-L20 PolarHBondContact O-N 2.96Å; H16-E41 IonicContact CD2-OE1 2.76Å; H16-E41 IonicContact CE1-OE1 3.57Å; H16-E41 IonicContact NE2-OE1 2.93Å; H16-E41 PolarHBondContact NE2-OE1 3.18Å; H16-E41 IonicContact NE2-OE2 3.55Å; H16-M71 HydrophobicContact CB-CE 3.57Å
17L76.1Confident68Low7 Ų780 Ų804%0.03746%0.462CS..Hα-helixtrans-67.7-41173.7-73.6179.7000112K14 K19 L20 T21 I39 E41K14-L17 HydrophobicContact CB-CD1 4.44Å; K14-L17 HydrophobicContact CB-CG 4.37Å; K14-L17 WeakPolarHBondContact O-CA 3.34Å; K14-L17 VanDerWaalsContact O-CB 3.29Å; K14-L17 WeakPolarHBondContact O-CB 3.33Å; K14-L17 PolarHBondContact O-N 2.9Å; L17-K19 PolarHBondContact O-N 3.06Å; L17-L20 HydrophobicContact CD2-CD2 4.16Å; L17-L20 PolarHBondContact O-N 3.31Å; L17-L20 VanDerWaalsContact O-N 3.09Å; L17-T21 WeakPolarHBondContact O-CG2 3.23Å; L17-T21 PolarHBondContact O-N 2.97Å; L17-T21 PolarHBondContact O-OG1 3.09Å; L17-I39 HydrophobicContact CD1-CB 4.24Å; L17-I39 HydrophobicContact CD1-CD1 4.4Å; L17-I39 HydrophobicContact CD1-CG2 3.76Å; L17-I39 HydrophobicContact CD2-CG2 4.27Å; L17-E41 HydrophobicContact CD1-CG 3.95Å; L17-E41 WeakPolarHBondContact CD1-OE1 3.44Å; L17-E41 HydrophobicContact CD2-CG 3.54Å; L17-E41 WeakPolarHBondContact CD2-OE1 3.3Å; L17-E41 HydrophobicContact CG-CG 4.08Å; L17-E41 WeakPolarHBondContact CG-OE1 3.49Å
18E80.1Confident70.6Confident44 Ų4475.9 Ų75.921%0.20643%0.431CS..Hα-helixtrans-61.1-37.9177.2-63.4-162.6135.400111.3S13 K14 L22 G23 R26S13-E18 WeakPolarHBondContact OG-CG 3.48Å; S13-E18 PolarHBondContact OG-OE1 3.26Å; K14-E18 PolarHBondContact O-N 3.16Å; E18-L22 CarbonylContact O-C 3.41Å; E18-L22 WeakPolarHBondContact O-CA 3.47Å; E18-L22 PolarHBondContact O-N 2.87Å; E18-G23 PolarHBondContact O-N 2.96Å; E18-R26 IonicContact OE1-CZ 3.58Å; E18-R26 IonicContact OE1-NE 3.6Å; E18-R26 PolarHBondContact OE1-NE 2.93Å; E18-R26 IonicContact OE1-NH2 3.28Å; E18-R26 PolarHBondContact OE1-NH2 2.73Å; E18-R26 IonicContact OE2-CZ 3.56Å; E18-R26 IonicContact OE2-NE 2.86Å; E18-R26 IonicContact OE2-NH2 2.77Å; E18-R26 PolarHBondContact OE2-NH2 3.38Å
19K81.7Confident72.7Confident166 Ų16674.5 Ų74.572%0.72241%0.413SS*.Hα-helixtrans-67.1-42.1172.8-68.2178.7-178.8-178.80111.5H16 L17 L22H16-K19 PolarHBondContact O-N 2.85Å; L17-K19 PolarHBondContact O-N 3.06Å; K19-L22 WeakPolarHBondContact O-CD2 3.41Å; K19-L22 PolarHBondContact O-N 3.25Å
20L82.1Confident75.1Confident58 Ų5876.6 Ų76.630%0.30442%0.419SS..Hα-helixtrans-66.5-44.8-178.9177.263.5000112.5H16 L17 L22 F68 T72 F75H16-L20 WeakPolarHBondContact O-CB 3.27Å; H16-L20 PolarHBondContact O-N 2.96Å; L17-L20 HydrophobicContact CD2-CD2 4.16Å; L17-L20 PolarHBondContact O-N 3.31Å; L17-L20 VanDerWaalsContact O-N 3.09Å; L20-L22 PolarHBondContact O-N 3.39Å; L20-F68 HydrophobicContact CD1-CD2 3.74Å; L20-F68 HydrophobicContact CD1-CE2 3.37Å; L20-F68 HydrophobicContact CD1-CZ 4.49Å; L20-F68 HydrophobicContact CD2-CE2 3.79Å; L20-F68 HydrophobicContact CG-CE2 4.18Å; L20-T72 HydrophobicContact CD2-CG2 4.03Å; L20-F75 HydrophobicContact CD2-CD1 3.7Å; L20-F75 HydrophobicContact CD2-CE1 3.83Å; L20-F75 HydrophobicContact CG-CD1 4.47Å; L20-F75 HydrophobicContact CG-CE1 4.1Å
21T84.4Confident77.3Confident4 Ų471 Ų713%0.02539%0.393CS..THydrogen-bonded Turntrans-86.47.2178.367.80000111.9L17 G23 I24 T25 I39 F75L17-T21 WeakPolarHBondContact O-CG2 3.23Å; L17-T21 PolarHBondContact O-N 2.97Å; L17-T21 PolarHBondContact O-OG1 3.09Å; T21-G23 PolarHBondContact O-N 3.35Å; T21-I24 WeakPolarHBondContact O-CB 3.5Å; T21-I24 WeakPolarHBondContact O-CD1 3.13Å; T21-I24 WeakPolarHBondContact O-CG1 3.42Å; T21-I24 PolarHBondContact O-N 2.95Å; T21-T25 PolarHBondContact OG1-OG1 3.25Å; T21-I39 HydrophobicContact CG2-CD1 4.37Å; T21-F75 HydrophobicContact CG2-CE2 4.32Å; T21-F75 HydrophobicContact CG2-CZ 4.13Å
22L85.5Confident79.3Confident154 Ų15473.9 Ų73.981%0.80640%0.398SS*.THydrogen-bonded Turntrans49.933.2-179.5-58.5172.6000113.3E18 K19 L20E18-L22 CarbonylContact O-C 3.41Å; E18-L22 WeakPolarHBondContact O-CA 3.47Å; E18-L22 PolarHBondContact O-N 2.87Å; K19-L22 WeakPolarHBondContact O-CD2 3.41Å; K19-L22 PolarHBondContact O-N 3.25Å; L20-L22 PolarHBondContact O-N 3.39Å
23G84.5Confident81.3Confident16 Ų1670.9 Ų70.917%0.16539%0.385CS..THydrogen-bonded Turntrans79.512.3-179.600000115.8E18 T21 T25 R26 I27E18-G23 PolarHBondContact O-N 2.96Å; T21-G23 PolarHBondContact O-N 3.35Å; G23-T25 PolarHBondContact O-N 3.15Å; G23-T25 VanDerWaalsContact O-N 3.15Å; G23-R26 WeakPolarHBondContact O-CB 3.48Å; G23-R26 PolarHBondContact O-N 3.28Å; G23-I27 PolarHBondContact O-N 3.38Å
24I87.6Confident83Confident49 Ų4970.8 Ų70.825%0.25138%0.383SS..Hα-helixtrans-51.1-39.4176.1-73.8160.5000111.8T21 R26 I27 L28 M77 M93T21-I24 WeakPolarHBondContact O-CB 3.5Å; T21-I24 WeakPolarHBondContact O-CD1 3.13Å; T21-I24 WeakPolarHBondContact O-CG1 3.42Å; T21-I24 PolarHBondContact O-N 2.95Å; I24-R26 VanDerWaalsContact C-N 3.28Å; I24-R26 PolarHBondContact O-N 2.77Å; I24-I27 PolarHBondContact O-N 3.47Å; I24-I27 VanDerWaalsContact O-N 3.16Å; I24-L28 HydrophobicContact CG2-CD1 3.74Å; I24-L28 HydrophobicContact CG2-CG 4.25Å; I24-L28 WeakPolarHBondContact O-CG 3.24Å; I24-L28 PolarHBondContact O-N 3.14Å; I24-M77 HydrophobicContact CG2-CE 4.15Å; I24-M77 HydrophobicContact CG2-SD 3.93Å; I24-M93 HydrophobicContact CD1-CE 3.82Å; I24-M93 HydrophobicContact CD1-SD 3.83Å
25T85.9Confident84.2Confident5 Ų567.9 Ų67.93%0.03137%0.374CS..Hα-helixtrans-53.8-45.4176.7-17.20000111.8T21 G23 L28 E29 V37 I39 M77T21-T25 PolarHBondContact OG1-OG1 3.25Å; G23-T25 PolarHBondContact O-N 3.15Å; G23-T25 VanDerWaalsContact O-N 3.15Å; T25-L28 PolarHBondContact O-N 2.78Å; T25-E29 WeakPolarHBondContact O-CB 3.34Å; T25-E29 VanDerWaalsContact O-CG 3.3Å; T25-E29 WeakPolarHBondContact O-CG 3.48Å; T25-E29 PolarHBondContact O-N 2.76Å; T25-V37 HydrophobicContact CG2-CG1 3.8Å; T25-I39 HydrophobicContact CG2-CD1 3.7Å; T25-I39 HydrophobicContact CG2-CG1 4.45Å; T25-M77 HydrophobicContact CG2-CE 3.73Å
26R86.5Confident85.1Confident143 Ų14368.6 Ų68.654%0.5437%0.369SS..Hα-helixtrans-68.5-37.9-179.4-62.6-176.3178.7-158.73.4112E18 G23 I24 S30E18-R26 IonicContact OE1-CZ 3.58Å; E18-R26 IonicContact OE1-NE 3.6Å; E18-R26 PolarHBondContact OE1-NE 2.93Å; E18-R26 IonicContact OE1-NH2 3.28Å; E18-R26 PolarHBondContact OE1-NH2 2.73Å; E18-R26 IonicContact OE2-CZ 3.56Å; E18-R26 IonicContact OE2-NE 2.86Å; E18-R26 IonicContact OE2-NH2 2.77Å; E18-R26 PolarHBondContact OE2-NH2 3.38Å; G23-R26 WeakPolarHBondContact O-CB 3.48Å; G23-R26 PolarHBondContact O-N 3.28Å; I24-R26 VanDerWaalsContact C-N 3.28Å; I24-R26 PolarHBondContact O-N 2.77Å; R26-S30 VanDerWaalsContact O-CB 3.29Å; R26-S30 WeakPolarHBondContact O-CB 3.4Å; R26-S30 PolarHBondContact O-N 2.83Å; R26-S30 PolarHBondContact O-OG 2.95Å
27I88.9Confident85.9Confident111 Ų11166.9 Ų66.957%0.56936%0.363SS*.Hα-helixtrans-65-43.7178-60.9171.4000110G23 I24 S30 S31G23-I27 PolarHBondContact O-N 3.38Å; I24-I27 PolarHBondContact O-N 3.47Å; I24-I27 VanDerWaalsContact O-N 3.16Å; I27-S30 PolarHBondContact O-N 3.11Å; I27-S31 PolarHBondContact O-N 3.23Å; I27-S31 PolarHBondContact O-OG 2.93Å
28L88Confident86.4Confident20 Ų2069.3 Ų69.311%0.10538%0.378CS..Hα-helixtrans-64.5-47.2177-73.2170000111.4I24 T25 S30 S31 V34 V37 M77 W79I24-L28 HydrophobicContact CG2-CD1 3.74Å; I24-L28 HydrophobicContact CG2-CG 4.25Å; I24-L28 WeakPolarHBondContact O-CG 3.24Å; I24-L28 PolarHBondContact O-N 3.14Å; T25-L28 PolarHBondContact O-N 2.78Å; L28-S30 PolarHBondContact O-N 2.89Å; L28-S31 WeakPolarHBondContact O-CB 3.48Å; L28-S31 PolarHBondContact O-N 3.46Å; L28-V34 HydrophobicContact CB-CG1 4.2Å; L28-V34 VanDerWaalsContact O-CB 3.23Å; L28-V34 WeakPolarHBondContact O-CB 3.17Å; L28-V34 WeakPolarHBondContact O-CG1 3.04Å; L28-V37 HydrophobicContact CB-CG1 4.46Å; L28-V37 HydrophobicContact CB-CG2 4.02Å; L28-V37 HydrophobicContact CD1-CG1 4.39Å; L28-M77 HydrophobicContact CD1-CE 3.53Å; L28-M77 HydrophobicContact CD1-SD 4.27Å; L28-W79 HydrophobicContact CD1-CB 4.48Å; L28-W79 HydrophobicContact CD1-CD2 3.79Å; L28-W79 HydrophobicContact CD1-CE3 3.61Å; L28-W79 HydrophobicContact CD1-CG 4.19Å; L28-W79 HydrophobicContact CD1-CZ3 4.11Å; L28-W79 HydrophobicContact CD2-CD2 3.87Å; L28-W79 HydrophobicContact CD2-CE3 4.46Å; L28-W79 HydrophobicContact CD2-CG 3.98Å; L28-W79 HydrophobicContact CD2-CZ2 4.38Å
29E86.9Confident86.8Confident104 Ų10469.1 Ų69.149%0.48638%0.378SS..Hα-helixtrans-63.9-28.8177-71.5171.7174.400113.2T25 S31 V37T25-E29 WeakPolarHBondContact O-CB 3.34Å; T25-E29 VanDerWaalsContact O-CG 3.3Å; T25-E29 WeakPolarHBondContact O-CG 3.48Å; T25-E29 PolarHBondContact O-N 2.76Å; E29-S31 VanDerWaalsContact C-N 3.27Å; E29-V37 HydrophobicContact CG-CB 4.36Å; E29-V37 HydrophobicContact CG-CG2 4.11Å
30S89.1Confident87.1Confident98 Ų9866 Ų6669%0.68537%0.368SS*.Hα-helixtrans-77.3-14175.7-58.20000113.1R26 I27 L28R26-S30 VanDerWaalsContact O-CB 3.29Å; R26-S30 WeakPolarHBondContact O-CB 3.4Å; R26-S30 PolarHBondContact O-N 2.83Å; R26-S30 PolarHBondContact O-OG 2.95Å; I27-S30 PolarHBondContact O-N 3.11Å; L28-S30 PolarHBondContact O-N 2.89Å
31S88.1Confident87.3Confident44 Ų4465.5 Ų65.531%0.30836%0.364SS..SBendtrans-81.3123.6-175.2-64.60000110.7I27 L28 E29 G33 V34I27-S31 PolarHBondContact O-N 3.23Å; I27-S31 PolarHBondContact O-OG 2.93Å; L28-S31 WeakPolarHBondContact O-CB 3.48Å; L28-S31 PolarHBondContact O-N 3.46Å; E29-S31 VanDerWaalsContact C-N 3.27Å; S31-G33 PolarHBondContact O-N 3.03Å; S31-V34 PolarHBondContact O-N 3.31Å; S31-V34 VanDerWaalsContact O-N 3.09Å
32P85.3Confident87.5Confident136 Ų13668 Ų6888%0.88338%0.375SS*.THydrogen-bonded Turntrans-63.5125.2-178.324.4-32000110.6
33G86.6Confident87.5Confident38 Ų3865.4 Ų65.439%0.39237%0.367SS..THydrogen-bonded Turntrans92.9-10.2-178.100000114.5S31 V81 K82S31-G33 PolarHBondContact O-N 3.03Å; G33-V81 CarbonylContact O-C 3.49Å; G33-V81 WeakPolarHBondContact O-CA 3.45Å; G33-V81 WeakPolarHBondContact O-CB 3.3Å; G33-K82 PolarHBondContact O-N 3.23Å
34V90.4Very high87.9Confident28 Ų2868.6 Ų68.617%0.1739%0.385CS..EExtended strand (participates in β ladder)trans-76.5132.7171.7176.60000110L28 S31 V37 W79 S80 V81L28-V34 HydrophobicContact CB-CG1 4.2Å; L28-V34 VanDerWaalsContact O-CB 3.23Å; L28-V34 WeakPolarHBondContact O-CB 3.17Å; L28-V34 WeakPolarHBondContact O-CG1 3.04Å; S31-V34 PolarHBondContact O-N 3.31Å; S31-V34 VanDerWaalsContact O-N 3.09Å; V34-V37 HydrophobicContact CG1-CG2 3.7Å; V34-W79 HydrophobicContact CG1-CB 4.14Å; V34-W79 HydrophobicContact CG1-CG 4.5Å; V34-S80 WeakPolarHBondContact CA-O 3.49Å; V34-V81 HydrophobicContact CG2-CG1 4.08Å
35T88.5Confident88.1Confident42 Ų4266.7 Ų66.726%0.25838%0.376SS..EExtended strand (participates in β ladder)trans-139.7166.4-179.460.90000110.3V37 S80 K82T35-V37 VanDerWaalsContact C-N 3.29Å; T35-V37 PolarHBondContact O-N 2.83Å; T35-S80 PolarHBondContact N-O 3.32Å; T35-S80 CarbonylContact O-C 3.47Å; T35-S80 WeakPolarHBondContact O-CA 3.36Å; T35-S80 PolarHBondContact O-N 2.87Å; T35-K82 HydrophobicContact CG2-CB 3.8Å
36E88.1Confident88.4Confident110 Ų11072.2 Ų72.251%0.51440%0.402SS..EExtended strand (participates in β ladder)trans54.439.8175-53.3-174.9150.500114.8T38 S80 I87E36-T38 PolarHBondContact O-N 3.23Å; E36-T38 VanDerWaalsContact O-N 3.16Å; E36-T38 PolarHBondContact O-OG1 2.91Å; E36-S80 WeakPolarHBondContact OE2-CB 3.07Å; E36-S80 PolarHBondContact OE2-OG 2.69Å; E36-I87 HydrophobicContact CG-CG2 4.34Å; E36-I87 WeakPolarHBondContact OE2-CG2 3.27Å
37V88.9Confident88.7Confident28 Ų2874.1 Ų74.117%0.1741%0.409CS..EExtended strand (participates in β ladder)trans-66.7116.7172.6-1730000108.6T25 L28 E29 V34 T35 M77 T78 W79T25-V37 HydrophobicContact CG2-CG1 3.8Å; L28-V37 HydrophobicContact CB-CG1 4.46Å; L28-V37 HydrophobicContact CB-CG2 4.02Å; L28-V37 HydrophobicContact CD1-CG1 4.39Å; E29-V37 HydrophobicContact CG-CB 4.36Å; E29-V37 HydrophobicContact CG-CG2 4.11Å; V34-V37 HydrophobicContact CG1-CG2 3.7Å; T35-V37 VanDerWaalsContact C-N 3.29Å; T35-V37 PolarHBondContact O-N 2.83Å; V37-M77 HydrophobicContact CG1-CE 3.51Å; V37-T78 WeakPolarHBondContact CA-O 3.28Å; V37-W79 HydrophobicContact CG2-CB 4.08Å
38T87.8Confident88.9Confident58 Ų5873.8 Ų73.836%0.35641%0.405SS..EExtended strand (participates in β ladder)trans-131.7131.6-173.841.30000109.5E36 M77 T78E36-T38 PolarHBondContact O-N 3.23Å; E36-T38 VanDerWaalsContact O-N 3.16Å; E36-T38 PolarHBondContact O-OG1 2.91Å; T38-M77 CarbonylContact O-C 3.56Å; T38-M77 VanDerWaalsContact O-CA 3.25Å; T38-M77 WeakPolarHBondContact O-CA 2.78Å; T38-T78 PolarHBondContact N-O 2.65Å; T38-T78 PolarHBondContact O-N 3Å; T38-T78 PolarHBondContact OG1-O 2.87Å; T38-T78 PolarHBondContact OG1-OG1 3.09Å
39I87.3Confident89.1Confident40 Ų4075.9 Ų75.921%0.20542%0.415CS..EExtended strand (participates in β ladder)trans-119.6121.2173.6-60173.8000108.6L17 T21 T25 M77L17-I39 HydrophobicContact CD1-CB 4.24Å; L17-I39 HydrophobicContact CD1-CD1 4.4Å; L17-I39 HydrophobicContact CD1-CG2 3.76Å; L17-I39 HydrophobicContact CD2-CG2 4.27Å; T21-I39 HydrophobicContact CG2-CD1 4.37Å; T25-I39 HydrophobicContact CG2-CD1 3.7Å; T25-I39 HydrophobicContact CG2-CG1 4.45Å; I39-M77 HydrophobicContact CD1-CE 3.85Å; I39-M77 HydrophobicContact CD1-SD 4.12Å; I39-M77 HydrophobicContact CG1-CB 4.11Å; I39-M77 HydrophobicContact CG1-CE 3.87Å; I39-M77 HydrophobicContact CG1-CG 3.81Å; I39-M77 HydrophobicContact CG1-SD 4.03Å
40I88.2Confident89.3Confident99 Ų9971.2 Ų71.251%0.50839%0.393SS..EExtended strand (participates in β ladder)trans-105.499.8175.5-54.4173.4000107.3F75 H76I40-F75 CarbonylContact O-C 3.6Å; I40-F75 WeakPolarHBondContact O-CA 3.48Å; I40-H76 HydrophobicContact CB-CB 4.44Å; I40-H76 PolarHBondContact N-O 2.73Å; I40-H76 PolarHBondContact O-N 3.08Å
41E86.3Confident89.5Confident48 Ų4869 Ų6922%0.22438%0.378CS..EExtended strand (participates in β ladder)trans-68.8141.7168.5-79.7175.3-160.100111K14 H16 L17K14-E41 WeakPolarHBondContact CD-OE1 3.38Å; K14-E41 IonicContact NZ-OE1 3.78Å; K14-E41 IonicContact NZ-OE2 3.99Å; K14-E41 PolarHBondContact NZ-OE2 3.31Å; H16-E41 IonicContact CD2-OE1 2.76Å; H16-E41 IonicContact CE1-OE1 3.57Å; H16-E41 IonicContact NE2-OE1 2.93Å; H16-E41 PolarHBondContact NE2-OE1 3.18Å; H16-E41 IonicContact NE2-OE2 3.55Å; L17-E41 HydrophobicContact CD1-CG 3.95Å; L17-E41 WeakPolarHBondContact CD1-OE1 3.44Å; L17-E41 HydrophobicContact CD2-CG 3.54Å; L17-E41 WeakPolarHBondContact CD2-OE1 3.3Å; L17-E41 HydrophobicContact CG-CG 4.08Å; L17-E41 WeakPolarHBondContact CG-OE1 3.49Å
42K88.1Confident89.7Confident57 Ų5770 Ų7025%0.24838%0.384CS..PPolyproline II helixtrans-95.6147.3167.4-60.2-178.3-179.4169.60109.8T72 N73 G74 S97K42-T72 PolarHBondContact O-OG1 3.46Å; K42-T72 VanDerWaalsContact O-OG1 3.08Å; K42-N73 HydrophobicContact CB-CB 4.27Å; K42-N73 WeakPolarHBondContact CB-O 3.43Å; K42-N73 VanDerWaalsContact CD-O 3.28Å; K42-N73 WeakPolarHBondContact CD-O 3.16Å; K42-N73 PolarHBondContact O-N 2.81Å; K42-G74 VanDerWaalsContact CB-O 3.27Å; K42-G74 WeakPolarHBondContact CB-O 3.39Å; K42-G74 PolarHBondContact N-O 3.19Å; K42-G74 VanDerWaalsContact N-O 3.09Å; K42-S97 WeakPolarHBondContact CD-OG 3.5Å; K42-S97 PolarHBondContact NZ-OG 2.82Å
43P87.3Confident90Very high99 Ų9965.1 Ų65.164%0.64335%0.349SS*.PPolyproline II helixtrans-57.9152.4178.525.2-35000110.7N73P43-N73 WeakPolarHBondContact O-CB 3.27Å; P43-N73 PolarHBondContact O-N 3.37Å; P43-N73 VanDerWaalsContact O-N 3.15Å
44P91.1Very high90.3Very high84 Ų8464.7 Ų64.755%0.54534%0.337SS..PPolyproline II helixtrans-47141.9173.7-30.536.6000113.3L70P44-L70 WeakPolarHBondContact CB-O 3.34Å
45A92.3Very high90.3Very high8 Ų870.5 Ų70.57%0.06636%0.362CS..PPolyproline II helixtrans-76.6141.5171.300000110Y69 N73 I98A45-Y69 VanDerWaalsContact CB-O 3.23Å; A45-Y69 WeakPolarHBondContact CB-O 3.46Å; A45-Y69 PolarHBondContact N-O 3.38Å; A45-N73 HydrophobicContact CB-CB 4.04Å; A45-I98 HydrophobicContact CB-CG2 4.28Å
46E93.6Very high90.4Very high121 Ų12176.9 Ų76.957%0.56539%0.386SS*.PPolyproline II helixtrans-74.8146.7172.9-64.4177.2118.400110.4H48 M49 I50E46-H48 WeakPolarHBondContact CB-ND1 3.25Å; E46-H48 VanDerWaalsContact CD-CE1 3.43Å; E46-H48 PolarHBondContact O-N 3.05Å; E46-H48 VanDerWaalsContact O-N 3.12Å; E46-H48 IonicContact OE1-CE1 3.81Å; E46-H48 IonicContact OE2-CE1 3.75Å; E46-H48 PolarHBondContact OE2-CE1 2.77Å; E46-H48 IonicContact OE2-ND1 2.78Å; E46-H48 IonicContact OE2-NE2 2.73Å; E46-M49 HydrophobicContact CB-CG 4.21Å; E46-M49 VanDerWaalsContact O-CB 3.29Å; E46-M49 WeakPolarHBondContact O-CB 3.43Å; E46-M49 PolarHBondContact O-N 3Å; E46-I50 PolarHBondContact O-N 3.43Å
47R92.1Very high90.4Very high184 Ų18472.9 Ų72.969%0.69437%0.368SS*.Hα-helixtrans-52.7-39.2-179.6-73.2-178.5-175-82.7-2112.4M49 I50 S51 L70R47-M49 VanDerWaalsContact C-N 3.28Å; R47-M49 PolarHBondContact O-N 3.37Å; R47-I50 PolarHBondContact O-N 3.41Å; R47-S51 PolarHBondContact O-N 3Å; R47-S51 PolarHBondContact O-OG 2.84Å; R47-L70 HydrophobicContact CG-CD2 3.67Å
48H93Very high90.3Very high103 Ų10379 Ų7948%0.47740%0.4SS..Hα-helixtrans-66.5-28.7179.674.3-102.7000112.9E46 I50 S52E46-H48 WeakPolarHBondContact CB-ND1 3.25Å; E46-H48 VanDerWaalsContact CD-CE1 3.43Å; E46-H48 PolarHBondContact O-N 3.05Å; E46-H48 VanDerWaalsContact O-N 3.12Å; E46-H48 IonicContact OE1-CE1 3.81Å; E46-H48 IonicContact OE2-CE1 3.75Å; E46-H48 PolarHBondContact OE2-CE1 2.77Å; E46-H48 IonicContact OE2-ND1 2.78Å; E46-H48 IonicContact OE2-NE2 2.73Å; H48-I50 VanDerWaalsContact C-N 3.34Å; H48-S52 VanDerWaalsContact O-CB 3.23Å; H48-S52 WeakPolarHBondContact O-CB 3.44Å; H48-S52 PolarHBondContact O-N 3.18Å; H48-S52 PolarHBondContact O-OG 3.32Å
49M92.1Very high90.2Very high65 Ų6578.3 Ų78.332%0.3240%0.397SS..Hα-helixtrans-66.7-40.3175.7-67.9-72-73.300110.6E46 R47 W53 I98 S99E46-M49 HydrophobicContact CB-CG 4.21Å; E46-M49 VanDerWaalsContact O-CB 3.29Å; E46-M49 WeakPolarHBondContact O-CB 3.43Å; E46-M49 PolarHBondContact O-N 3Å; R47-M49 VanDerWaalsContact C-N 3.28Å; R47-M49 PolarHBondContact O-N 3.37Å; M49-W53 WeakPolarHBondContact O-CB 3.49Å; M49-W53 PolarHBondContact O-N 3.36Å; M49-I98 HydrophobicContact CB-CG2 4.22Å; M49-S99 WeakPolarHBondContact CE-OG 3.45Å
50I92.1Very high90.2Very high6 Ų682.2 Ų82.23%0.03142%0.422CS..Hα-helixtrans-64.3-52.7174.4-56.5173.9000110.4E46 R47 H48 S52 W53 E54 M61 K66 L70 I98E46-I50 PolarHBondContact O-N 3.43Å; R47-I50 PolarHBondContact O-N 3.41Å; H48-I50 VanDerWaalsContact C-N 3.34Å; I50-S52 VanDerWaalsContact C-N 3.28Å; I50-S52 PolarHBondContact O-N 3.23Å; I50-W53 WeakPolarHBondContact O-CB 3.25Å; I50-W53 PolarHBondContact O-N 2.8Å; I50-W53 VanDerWaalsContact O-N 3.08Å; I50-E54 WeakPolarHBondContact O-CG 3.49Å; I50-E54 PolarHBondContact O-N 3.06Å; I50-M61 HydrophobicContact CG2-SD 4.38Å; I50-K66 HydrophobicContact CG2-CD 4.48Å; I50-K66 HydrophobicContact CG2-CG 3.98Å; I50-L70 HydrophobicContact CD1-CD1 4.4Å; I50-L70 HydrophobicContact CD1-CD2 3.59Å; I50-L70 HydrophobicContact CD1-CG 3.59Å; I50-I98 HydrophobicContact CB-CD1 3.88Å; I50-I98 HydrophobicContact CG1-CD1 3.56Å; I50-I98 HydrophobicContact CG2-CD1 4.05Å
51S92.3Very high90.2Very high51 Ų5177.9 Ų77.936%0.35740%0.4SS..Hα-helixtrans-60.7-37.1178.9-55.50000112.7R47 E54 Q55R47-S51 PolarHBondContact O-N 3Å; R47-S51 PolarHBondContact O-OG 2.84Å; S51-E54 PolarHBondContact O-N 3.1Å; S51-Q55 WeakPolarHBondContact O-CB 3.41Å; S51-Q55 VanDerWaalsContact O-CG 3.25Å; S51-Q55 WeakPolarHBondContact O-CG 3.34Å; S51-Q55 PolarHBondContact O-N 3.22Å
52S92.9Very high90.5Very high64 Ų6479.5 Ų79.545%0.44842%0.415SS..Hα-helixtrans-66.3-39.5175.9-59.40000111.5H48 I50 K56H48-S52 VanDerWaalsContact O-CB 3.23Å; H48-S52 WeakPolarHBondContact O-CB 3.44Å; H48-S52 PolarHBondContact O-N 3.18Å; H48-S52 PolarHBondContact O-OG 3.32Å; I50-S52 VanDerWaalsContact C-N 3.28Å; I50-S52 PolarHBondContact O-N 3.23Å; S52-K56 VanDerWaalsContact O-CB 3.26Å; S52-K56 WeakPolarHBondContact O-CB 3.34Å; S52-K56 PolarHBondContact O-N 2.87Å
53W91.9Very high90.5Very high34 Ų3482.1 Ų82.113%0.12943%0.428CS..Hα-helixtrans-66.3-43.5175.9-176.591.9000111.6M49 I50 K56 N57 C59 M61 I98 L101M49-W53 WeakPolarHBondContact O-CB 3.49Å; M49-W53 PolarHBondContact O-N 3.36Å; I50-W53 WeakPolarHBondContact O-CB 3.25Å; I50-W53 PolarHBondContact O-N 2.8Å; I50-W53 VanDerWaalsContact O-N 3.08Å; W53-K56 PolarHBondContact O-N 2.77Å; W53-N57 HydrophobicContact CH2-CB 4.4Å; W53-N57 HydrophobicContact CZ2-CB 4.37Å; W53-N57 PolarHBondContact NE1-ND2 3.16Å; W53-N57 VanDerWaalsContact NE1-ND2 3.12Å; W53-N57 PolarHBondContact O-N 2.89Å; W53-N57 PolarHBondContact O-ND2 2.77Å; W53-C59 VanDerWaalsContact CZ3-SG 3.53Å; W53-M61 HydrophobicContact CD2-CE 4.3Å; W53-M61 HydrophobicContact CE3-CE 3.71Å; W53-M61 HydrophobicContact CH2-CE 4.16Å; W53-M61 HydrophobicContact CZ3-CB 4.33Å; W53-M61 HydrophobicContact CZ3-CE 3.64Å; W53-I98 HydrophobicContact CB-CD1 4.05Å; W53-I98 HydrophobicContact CB-CG1 3.82Å; W53-I98 HydrophobicContact CD2-CG1 4.24Å; W53-I98 HydrophobicContact CG-CD1 4.3Å; W53-I98 HydrophobicContact CG-CG1 3.74Å; W53-I98 PolarHBondContact NE1-O 2.97Å; W53-L101 HydrophobicContact CZ2-CB 3.76Å; W53-L101 HydrophobicContact CZ2-CD1 4.3Å; W53-L101 PolarHBondContact NE1-O 3.16Å
54E91.9Very high90.7Very high30 Ų3083.7 Ų83.714%0.1443%0.431CS..Hα-helixtrans-59.8-47.4176-74-176.1126.500111.8I50 S51 K56 N57 N58 C59 V60 M61 K66I50-E54 WeakPolarHBondContact O-CG 3.49Å; I50-E54 PolarHBondContact O-N 3.06Å; S51-E54 PolarHBondContact O-N 3.1Å; E54-K56 VanDerWaalsContact C-N 3.34Å; E54-K56 PolarHBondContact O-N 2.72Å; E54-N57 CarbonylContact O-C 3.59Å; E54-N57 PolarHBondContact O-N 2.79Å; E54-N58 WeakPolarHBondContact O-CA 3.12Å; E54-N58 PolarHBondContact O-N 2.75Å; E54-C59 VanDerWaalsContact CA-O 3.32Å; E54-C59 WeakPolarHBondContact CA-O 3.29Å; E54-C59 WeakPolarHBondContact CB-O 3.43Å; E54-C59 WeakPolarHBondContact CG-O 2.84Å; E54-C59 PolarHBondContact O-N 2.95Å; E54-C59 VanDerWaalsContact O-N 3.15Å; E54-V60 WeakPolarHBondContact OE1-CA 3.21Å; E54-M61 HydrophobicContact CG-CB 4.26Å; E54-M61 PolarHBondContact OE1-N 2.93Å; E54-K66 WeakPolarHBondContact OE1-CE 3.48Å; E54-K66 IonicContact OE1-NZ 3.7Å; E54-K66 PolarHBondContact OE1-NZ 3.39Å; E54-K66 IonicContact OE2-NZ 3.58Å
55Q91.6Very high90.6Very high149 Ų14982.4 Ų82.470%0.69642%0.422SS*.Hα-helixtrans-61-42.8175.7-72.6172.839.900111.6S51 N58S51-Q55 WeakPolarHBondContact O-CB 3.41Å; S51-Q55 VanDerWaalsContact O-CG 3.25Å; S51-Q55 WeakPolarHBondContact O-CG 3.34Å; S51-Q55 PolarHBondContact O-N 3.22Å; Q55-N58 PolarHBondContact O-N 2.76Å
56K90.3Very high90.6Very high176 Ų17683.7 Ų83.777%0.76543%0.425SS*.Hα-helixtrans-65.2-38.9179.2-178.3179.9177.5-1770113S52 W53 E54 N58S52-K56 VanDerWaalsContact O-CB 3.26Å; S52-K56 WeakPolarHBondContact O-CB 3.34Å; S52-K56 PolarHBondContact O-N 2.87Å; W53-K56 PolarHBondContact O-N 2.77Å; E54-K56 VanDerWaalsContact C-N 3.34Å; E54-K56 PolarHBondContact O-N 2.72Å; K56-N58 VanDerWaalsContact C-N 3.34Å
57N87Confident90.5Very high27 Ų2781.6 Ų81.614%0.14442%0.418CS..Hα-helixtrans-93.82.4-178.6-66.4-92.2000112.5W53 E54 C59W53-N57 HydrophobicContact CH2-CB 4.4Å; W53-N57 HydrophobicContact CZ2-CB 4.37Å; W53-N57 PolarHBondContact NE1-ND2 3.16Å; W53-N57 VanDerWaalsContact NE1-ND2 3.12Å; W53-N57 PolarHBondContact O-N 2.89Å; W53-N57 PolarHBondContact O-ND2 2.77Å; E54-N57 CarbonylContact O-C 3.59Å; E54-N57 PolarHBondContact O-N 2.79Å; N57-C59 PolarHBondContact O-N 3.35Å; N57-C59 VanDerWaalsContact O-N 3.13Å
58N86.9Confident90.5Very high155 Ų15574.8 Ų74.883%0.82939%0.394SS*.THydrogen-bonded Turntrans50.137.7-179.5-141.487.3000113.1E54 Q55 K56E54-N58 WeakPolarHBondContact O-CA 3.12Å; E54-N58 PolarHBondContact O-N 2.75Å; Q55-N58 PolarHBondContact O-N 2.76Å; K56-N58 VanDerWaalsContact C-N 3.34Å
59C86Confident90.4Very high44 Ų4470.3 Ų70.330%0.29737%0.373SS..SBendtrans-139.7159.4-176.172.10000111.5W53 E54 N57W53-C59 VanDerWaalsContact CZ3-SG 3.53Å; E54-C59 VanDerWaalsContact CA-O 3.32Å; E54-C59 WeakPolarHBondContact CA-O 3.29Å; E54-C59 WeakPolarHBondContact CB-O 3.43Å; E54-C59 WeakPolarHBondContact CG-O 2.84Å; E54-C59 PolarHBondContact O-N 2.95Å; E54-C59 VanDerWaalsContact O-N 3.15Å; N57-C59 PolarHBondContact O-N 3.35Å; N57-C59 VanDerWaalsContact O-N 3.13Å
60V87.8Confident90.3Very high122 Ų12269.2 Ų69.274%0.73937%0.368SS*.PPolyproline II helixtrans-103.7122.4175-177.30000108.4E54E54-V60 WeakPolarHBondContact OE1-CA 3.21Å
61M88.1Confident90.2Very high8 Ų874.5 Ų74.54%0.03939%0.394CS..PPolyproline II helixtrans-72.5139.1176.1179.2177.9-75.300109.7I50 W53 E54 V65 K66 Y69 I98 L101I50-M61 HydrophobicContact CG2-SD 4.38Å; W53-M61 HydrophobicContact CD2-CE 4.3Å; W53-M61 HydrophobicContact CE3-CE 3.71Å; W53-M61 HydrophobicContact CH2-CE 4.16Å; W53-M61 HydrophobicContact CZ3-CB 4.33Å; W53-M61 HydrophobicContact CZ3-CE 3.64Å; E54-M61 HydrophobicContact CG-CB 4.26Å; E54-M61 PolarHBondContact OE1-N 2.93Å; M61-V65 HydrophobicContact CE-CG1 4.06Å; M61-V65 HydrophobicContact CG-CB 3.62Å; M61-V65 HydrophobicContact CG-CG1 3.69Å; M61-V65 HydrophobicContact SD-CB 3.93Å; M61-V65 HydrophobicContact SD-CG1 3.48Å; M61-V65 WeakPolarHBondContact SD-CG1 3.47Å; M61-K66 HydrophobicContact CB-CG 3.97Å; M61-K66 HydrophobicContact CG-CG 3.86Å; M61-K66 WeakPolarHBondContact O-CE 3.2Å; M61-K66 PolarHBondContact O-NZ 3.27Å; M61-K66 HydrophobicContact SD-CG 3.95Å; M61-Y69 HydrophobicContact CE-CD2 4.18Å; M61-Y69 HydrophobicContact CE-CE2 4.23Å; M61-Y69 HydrophobicContact SD-CD2 3.9Å; M61-Y69 HydrophobicContact SD-CE2 4.42Å; M61-I98 HydrophobicContact CE-CD1 3.8Å; M61-I98 HydrophobicContact CE-CG1 4.26Å; M61-I98 HydrophobicContact SD-CD1 4.32Å; M61-L101 HydrophobicContact CE-CD1 3.77Å
62P91.3Very high90.1Very high83 Ų8372.5 Ų72.554%0.53938%0.379SS..PPolyproline II helixtrans-57.7147.1174.3-23.233000111.7D64 V65 K66P62-D64 VanDerWaalsContact C-N 3.27Å; P62-D64 PolarHBondContact O-N 3.04Å; P62-V65 HydrophobicContact CB-CG2 4.12Å; P62-V65 HydrophobicContact CG-CG2 4.22Å; P62-V65 PolarHBondContact O-N 3.32Å; P62-K66 PolarHBondContact O-N 3.25Å
63E90.1Very high90Very high111 Ų11170.5 Ų70.552%0.51936%0.364SS..Hα-helixtrans-59.9-38.3-173.6-167.858.7-157.500112.4V65 K66 N67E63-V65 VanDerWaalsContact C-N 3.31Å; E63-V65 PolarHBondContact O-N 2.79Å; E63-K66 WeakPolarHBondContact O-CB 3.33Å; E63-K66 PolarHBondContact O-N 3.04Å; E63-N67 WeakPolarHBondContact O-CB 3.42Å; E63-N67 PolarHBondContact O-N 3.04Å; E63-N67 PolarHBondContact O-ND2 2.74Å
64D90.4Very high89.9Confident133 Ų13368.9 Ų68.971%0.71136%0.358SS*.Hα-helixtrans-62.9-38.1177.1-59.7-37.3000112.2P62 N67 F68P62-D64 VanDerWaalsContact C-N 3.27Å; P62-D64 PolarHBondContact O-N 3.04Å; D64-N67 PolarHBondContact O-N 3.01Å; D64-F68 WeakPolarHBondContact O-CB 3.34Å; D64-F68 PolarHBondContact O-N 2.87Å
65V89.9Confident89.8Confident57 Ų5767.8 Ų67.835%0.34535%0.352SS..Hα-helixtrans-72.2-38.2178.4-173.90000110.2M61 P62 E63 F68 Y69M61-V65 HydrophobicContact CE-CG1 4.06Å; M61-V65 HydrophobicContact CG-CB 3.62Å; M61-V65 HydrophobicContact CG-CG1 3.69Å; M61-V65 HydrophobicContact SD-CB 3.93Å; M61-V65 HydrophobicContact SD-CG1 3.48Å; M61-V65 WeakPolarHBondContact SD-CG1 3.47Å; P62-V65 HydrophobicContact CB-CG2 4.12Å; P62-V65 HydrophobicContact CG-CG2 4.22Å; P62-V65 PolarHBondContact O-N 3.32Å; E63-V65 VanDerWaalsContact C-N 3.31Å; E63-V65 PolarHBondContact O-N 2.79Å; V65-F68 WeakPolarHBondContact O-CB 2.98Å; V65-F68 PolarHBondContact O-N 2.85Å; V65-Y69 HydrophobicContact CG1-CD2 3.84Å; V65-Y69 HydrophobicContact CG1-CE2 3.66Å; V65-Y69 WeakPolarHBondContact O-CD2 3.33Å; V65-Y69 PolarHBondContact O-N 3.02Å
66K91.9Very high89.8Confident34 Ų3463.8 Ų63.815%0.14833%0.334CS..Hα-helixtrans-60.4-49.2172-66.3177.5173.2163.10111.1I50 E54 M61 P62 E63 F68 Y69 L70I50-K66 HydrophobicContact CG2-CD 4.48Å; I50-K66 HydrophobicContact CG2-CG 3.98Å; E54-K66 WeakPolarHBondContact OE1-CE 3.48Å; E54-K66 IonicContact OE1-NZ 3.7Å; E54-K66 PolarHBondContact OE1-NZ 3.39Å; E54-K66 IonicContact OE2-NZ 3.58Å; M61-K66 HydrophobicContact CB-CG 3.97Å; M61-K66 HydrophobicContact CG-CG 3.86Å; M61-K66 WeakPolarHBondContact O-CE 3.2Å; M61-K66 PolarHBondContact O-NZ 3.27Å; M61-K66 HydrophobicContact SD-CG 3.95Å; P62-K66 PolarHBondContact O-N 3.25Å; E63-K66 WeakPolarHBondContact O-CB 3.33Å; E63-K66 PolarHBondContact O-N 3.04Å; K66-F68 VanDerWaalsContact C-N 3.26Å; K66-F68 PolarHBondContact O-N 3.19Å; K66-Y69 PolarHBondContact O-N 2.91Å; K66-Y69 VanDerWaalsContact O-N 3.13Å; K66-L70 WeakPolarHBondContact O-CB 3.45Å; K66-L70 VanDerWaalsContact O-CG 3.27Å; K66-L70 WeakPolarHBondContact O-CG 3.5Å; K66-L70 PolarHBondContact O-N 3.43Å
67N91.6Very high89.8Confident78 Ų7855.4 Ų55.442%0.41730%0.297SS..Hα-helixtrans-60.4-38.8178.5-74.7-34.6000111.5E63 D64 L70 M71E63-N67 WeakPolarHBondContact O-CB 3.42Å; E63-N67 PolarHBondContact O-N 3.04Å; E63-N67 PolarHBondContact O-ND2 2.74Å; D64-N67 PolarHBondContact O-N 3.01Å; N67-L70 PolarHBondContact O-N 3.34Å; N67-M71 WeakPolarHBondContact O-CB 3.32Å; N67-M71 PolarHBondContact O-N 3.21Å
68F91.3Very high90.1Very high40 Ų4056 Ų5618%0.17530%0.302CS..Hα-helixtrans-57.5-53.5171.1172.2-100000111.6L20 D64 V65 K66 L70 M71 T72 I95L20-F68 HydrophobicContact CD1-CD2 3.74Å; L20-F68 HydrophobicContact CD1-CE2 3.37Å; L20-F68 HydrophobicContact CD1-CZ 4.49Å; L20-F68 HydrophobicContact CD2-CE2 3.79Å; L20-F68 HydrophobicContact CG-CE2 4.18Å; D64-F68 WeakPolarHBondContact O-CB 3.34Å; D64-F68 PolarHBondContact O-N 2.87Å; V65-F68 WeakPolarHBondContact O-CB 2.98Å; V65-F68 PolarHBondContact O-N 2.85Å; K66-F68 VanDerWaalsContact C-N 3.26Å; K66-F68 PolarHBondContact O-N 3.19Å; F68-L70 VanDerWaalsContact C-N 3.32Å; F68-L70 PolarHBondContact O-N 2.87Å; F68-M71 CarbonylContact O-C 3.53Å; F68-M71 WeakPolarHBondContact O-CB 3.33Å; F68-M71 PolarHBondContact O-N 3.13Å; F68-T72 HydrophobicContact CD2-CG2 4.05Å; F68-T72 HydrophobicContact CE2-CG2 3.4Å; F68-T72 HydrophobicContact CZ-CG2 3.72Å; F68-T72 PolarHBondContact O-N 2.97Å; F68-I95 HydrophobicContact CE1-CD1 4.46Å; F68-I95 HydrophobicContact CE1-CG2 3.67Å; F68-I95 HydrophobicContact CE2-CD1 4.49Å; F68-I95 HydrophobicContact CZ-CB 4.38Å; F68-I95 HydrophobicContact CZ-CD1 3.9Å; F68-I95 HydrophobicContact CZ-CG2 3.89Å
69Y91.4Very high90.4Very high9 Ų950.7 Ų50.74%0.03527%0.27CS..Hα-helixtrans-65.4-32.5-179.6-79.4-68.4000113.6A45 M61 V65 K66 M71 T72 N73 N96 I98 L101A45-Y69 VanDerWaalsContact CB-O 3.23Å; A45-Y69 WeakPolarHBondContact CB-O 3.46Å; A45-Y69 PolarHBondContact N-O 3.38Å; M61-Y69 HydrophobicContact CE-CD2 4.18Å; M61-Y69 HydrophobicContact CE-CE2 4.23Å; M61-Y69 HydrophobicContact SD-CD2 3.9Å; M61-Y69 HydrophobicContact SD-CE2 4.42Å; V65-Y69 HydrophobicContact CG1-CD2 3.84Å; V65-Y69 HydrophobicContact CG1-CE2 3.66Å; V65-Y69 WeakPolarHBondContact O-CD2 3.33Å; V65-Y69 PolarHBondContact O-N 3.02Å; K66-Y69 PolarHBondContact O-N 2.91Å; K66-Y69 VanDerWaalsContact O-N 3.13Å; Y69-M71 VanDerWaalsContact C-N 3.28Å; Y69-T72 WeakPolarHBondContact CA-O 3.43Å; Y69-T72 CarbonylContact O-C 3.57Å; Y69-N73 WeakPolarHBondContact CD1-OD1 3.43Å; Y69-N96 VanDerWaalsContact CE1-O 3.28Å; Y69-N96 WeakPolarHBondContact CE1-O 3.19Å; Y69-N96 PolarHBondContact OH-O 2.85Å; Y69-I98 HydrophobicContact CD1-CB 3.93Å; Y69-I98 HydrophobicContact CD2-CD1 4.43Å; Y69-I98 HydrophobicContact CE1-CB 4.13Å; Y69-I98 HydrophobicContact CG-CB 4.25Å; Y69-I98 HydrophobicContact CG-CD1 4.4Å; Y69-L101 HydrophobicContact CE2-CD1 3.68Å; Y69-L101 WeakPolarHBondContact OH-CD1 3.29Å; Y69-L101 WeakPolarHBondContact OH-CD2 3.48Å
70L90.7Very high90.7Very high42 Ų4249.1 Ų49.122%0.2226%0.26CS..Hα-helixtrans-70.4-23.4172.6-69.9174.6000112.9P44 R47 I50 K66 N67 F68P44-L70 WeakPolarHBondContact CB-O 3.34Å; R47-L70 HydrophobicContact CG-CD2 3.67Å; I50-L70 HydrophobicContact CD1-CD1 4.4Å; I50-L70 HydrophobicContact CD1-CD2 3.59Å; I50-L70 HydrophobicContact CD1-CG 3.59Å; K66-L70 WeakPolarHBondContact O-CB 3.45Å; K66-L70 VanDerWaalsContact O-CG 3.27Å; K66-L70 WeakPolarHBondContact O-CG 3.5Å; K66-L70 PolarHBondContact O-N 3.43Å; N67-L70 PolarHBondContact O-N 3.34Å; F68-L70 VanDerWaalsContact C-N 3.32Å; F68-L70 PolarHBondContact O-N 2.87Å
71M88.9Confident90.9Very high118 Ų11844.8 Ų44.858%0.58123%0.233SC*.Hα-helixtrans-88.8-41.7174.9-175.3176.8-178.500111.8H16 N67 F68 Y69H16-M71 HydrophobicContact CB-CE 3.57Å; N67-M71 WeakPolarHBondContact O-CB 3.32Å; N67-M71 PolarHBondContact O-N 3.21Å; F68-M71 CarbonylContact O-C 3.53Å; F68-M71 WeakPolarHBondContact O-CB 3.33Å; F68-M71 PolarHBondContact O-N 3.13Å; Y69-M71 VanDerWaalsContact C-N 3.28Å
72T89.5Confident91Very high8 Ų849.8 Ų49.85%0.04926%0.255CS..  trans-155.5129.8178.3-1760000110.6L20 K42 F68 Y69 G74L20-T72 HydrophobicContact CD2-CG2 4.03Å; K42-T72 PolarHBondContact O-OG1 3.46Å; K42-T72 VanDerWaalsContact O-OG1 3.08Å; F68-T72 HydrophobicContact CD2-CG2 4.05Å; F68-T72 HydrophobicContact CE2-CG2 3.4Å; F68-T72 HydrophobicContact CZ-CG2 3.72Å; F68-T72 PolarHBondContact O-N 2.97Å; Y69-T72 WeakPolarHBondContact CA-O 3.43Å; Y69-T72 CarbonylContact O-C 3.57Å; T72-G74 PolarHBondContact O-N 3.03Å; T72-G74 PolarHBondContact OG1-O 3.09Å
73N91.1Very high90.8Very high22 Ų2250.9 Ų50.912%0.11826%0.256CS..SBendtrans-81.850.2-177.4-168.714000113K42 P43 A45 Y69 S97 I98K42-N73 HydrophobicContact CB-CB 4.27Å; K42-N73 WeakPolarHBondContact CB-O 3.43Å; K42-N73 VanDerWaalsContact CD-O 3.28Å; K42-N73 WeakPolarHBondContact CD-O 3.16Å; K42-N73 PolarHBondContact O-N 2.81Å; P43-N73 WeakPolarHBondContact O-CB 3.27Å; P43-N73 PolarHBondContact O-N 3.37Å; P43-N73 VanDerWaalsContact O-N 3.15Å; A45-N73 HydrophobicContact CB-CB 4.04Å; Y69-N73 WeakPolarHBondContact CD1-OD1 3.43Å; N73-S97 VanDerWaalsContact O-CA 3.3Å; N73-S97 WeakPolarHBondContact O-CA 3.32Å; N73-S97 WeakPolarHBondContact O-CB 3.44Å; N73-S97 PolarHBondContact O-OG 3.15Å; N73-S97 VanDerWaalsContact OD1-CA 3.25Å; N73-S97 WeakPolarHBondContact OD1-CA 3.48Å; N73-S97 WeakPolarHBondContact OD1-CB 3.47Å; N73-I98 PolarHBondContact OD1-N 3.38Å
74G90.2Very high90.6Very high0 Ų052.1 Ų52.10%027%0.266CS..  trans82.7176.8-17000000113.5K42 T72 I95K42-G74 VanDerWaalsContact CB-O 3.27Å; K42-G74 WeakPolarHBondContact CB-O 3.39Å; K42-G74 PolarHBondContact N-O 3.19Å; K42-G74 VanDerWaalsContact N-O 3.09Å; T72-G74 PolarHBondContact O-N 3.03Å; T72-G74 PolarHBondContact OG1-O 3.09Å; G74-I95 VanDerWaalsContact CA-O 3.32Å; G74-I95 WeakPolarHBondContact CA-O 3.4Å
75F90.8Very high90.4Very high7 Ų753.9 Ų53.93%0.03127%0.27CS..EExtended strand (participates in β ladder)trans-147163.2178.366.2-97.3000110.2L20 T21 I40 M77 M93 A94 I95L20-F75 HydrophobicContact CD2-CD1 3.7Å; L20-F75 HydrophobicContact CD2-CE1 3.83Å; L20-F75 HydrophobicContact CG-CD1 4.47Å; L20-F75 HydrophobicContact CG-CE1 4.1Å; T21-F75 HydrophobicContact CG2-CE2 4.32Å; T21-F75 HydrophobicContact CG2-CZ 4.13Å; I40-F75 CarbonylContact O-C 3.6Å; I40-F75 WeakPolarHBondContact O-CA 3.48Å; F75-M77 HydrophobicContact CD2-CB 4.23Å; F75-M77 HydrophobicContact CE2-CB 4.18Å; F75-M93 HydrophobicContact CE2-CG 4.15Å; F75-M93 HydrophobicContact CE2-SD 4.32Å; F75-M93 HydrophobicContact CZ-SD 4.38Å; F75-A94 CarbonylContact O-C 3.56Å; F75-A94 WeakPolarHBondContact O-CA 3.43Å; F75-I95 HydrophobicContact CD1-CB 4.07Å; F75-I95 HydrophobicContact CD1-CD1 3.94Å; F75-I95 HydrophobicContact CD1-CG1 3.96Å; F75-I95 HydrophobicContact CE1-CB 4.1Å; F75-I95 HydrophobicContact CE1-CD1 3.22Å; F75-I95 HydrophobicContact CE1-CG1 3.46Å; F75-I95 VanDerWaalsContact CE1-CG1 3.46Å; F75-I95 HydrophobicContact CZ-CD1 3.84Å; F75-I95 HydrophobicContact CZ-CG1 3.77Å; F75-I95 PolarHBondContact N-O 3.01Å; F75-I95 PolarHBondContact O-N 2.87Å
76H90.6Very high90.3Very high65 Ų6557.5 Ų57.530%0.30128%0.283SS..EExtended strand (participates in β ladder)trans-129.2121.5170.3-175.7-139.4000108.9I40 T78I40-H76 HydrophobicContact CB-CB 4.44Å; I40-H76 PolarHBondContact N-O 2.73Å; I40-H76 PolarHBondContact O-N 3.08Å; H76-T78 WeakPolarHBondContact CE1-CG2 3.4Å; H76-T78 WeakPolarHBondContact NE2-CG2 3.05Å
77M90.8Very high90.1Very high0 Ų060 Ų600%030%0.297CS..EExtended strand (participates in β ladder)trans-113.8130.9178.4178.1172-155.700108.5I24 T25 L28 V37 T38 I39 F75 W79 S92 M93I24-M77 HydrophobicContact CG2-CE 4.15Å; I24-M77 HydrophobicContact CG2-SD 3.93Å; T25-M77 HydrophobicContact CG2-CE 3.73Å; L28-M77 HydrophobicContact CD1-CE 3.53Å; L28-M77 HydrophobicContact CD1-SD 4.27Å; V37-M77 HydrophobicContact CG1-CE 3.51Å; T38-M77 CarbonylContact O-C 3.56Å; T38-M77 VanDerWaalsContact O-CA 3.25Å; T38-M77 WeakPolarHBondContact O-CA 2.78Å; I39-M77 HydrophobicContact CD1-CE 3.85Å; I39-M77 HydrophobicContact CD1-SD 4.12Å; I39-M77 HydrophobicContact CG1-CB 4.11Å; I39-M77 HydrophobicContact CG1-CE 3.87Å; I39-M77 HydrophobicContact CG1-CG 3.81Å; I39-M77 HydrophobicContact CG1-SD 4.03Å; F75-M77 HydrophobicContact CD2-CB 4.23Å; F75-M77 HydrophobicContact CE2-CB 4.18Å; M77-W79 HydrophobicContact CG-CE3 4.31Å; M77-W79 HydrophobicContact CG-CZ3 4.45Å; M77-S92 CarbonylContact O-C 3.54Å; M77-S92 VanDerWaalsContact O-CA 3.25Å; M77-S92 WeakPolarHBondContact O-CA 2.89Å; M77-M93 WeakPolarHBondContact CA-O 3.23Å; M77-M93 HydrophobicContact CB-CB 4.26Å; M77-M93 PolarHBondContact N-O 2.83Å; M77-M93 PolarHBondContact O-N 2.89Å
78T92.6Very high90Very high40 Ų4059.8 Ų59.825%0.24530%0.295CS..EExtended strand (participates in β ladder)trans-132.2147.8177.6410000109.9V37 T38 H76 G91V37-T78 WeakPolarHBondContact CA-O 3.28Å; T38-T78 PolarHBondContact N-O 2.65Å; T38-T78 PolarHBondContact O-N 3Å; T38-T78 PolarHBondContact OG1-O 2.87Å; T38-T78 PolarHBondContact OG1-OG1 3.09Å; H76-T78 WeakPolarHBondContact CE1-CG2 3.4Å; H76-T78 WeakPolarHBondContact NE2-CG2 3.05Å; T78-G91 WeakPolarHBondContact CA-O 3.4Å
79W93.3Very high90Very high44 Ų4463 Ų6317%0.16732%0.32CS..EExtended strand (participates in β ladder)trans-141.7144.3172.861.993000110.4L28 V34 V37 M77 L90 G91 M93L28-W79 HydrophobicContact CD1-CB 4.48Å; L28-W79 HydrophobicContact CD1-CD2 3.79Å; L28-W79 HydrophobicContact CD1-CE3 3.61Å; L28-W79 HydrophobicContact CD1-CG 4.19Å; L28-W79 HydrophobicContact CD1-CZ3 4.11Å; L28-W79 HydrophobicContact CD2-CD2 3.87Å; L28-W79 HydrophobicContact CD2-CE3 4.46Å; L28-W79 HydrophobicContact CD2-CG 3.98Å; L28-W79 HydrophobicContact CD2-CZ2 4.38Å; V34-W79 HydrophobicContact CG1-CB 4.14Å; V34-W79 HydrophobicContact CG1-CG 4.5Å; V37-W79 HydrophobicContact CG2-CB 4.08Å; M77-W79 HydrophobicContact CG-CE3 4.31Å; M77-W79 HydrophobicContact CG-CZ3 4.45Å; W79-L90 PolarHBondContact O-N 2.86Å; W79-G91 VanDerWaalsContact CE2-CA 3.48Å; W79-G91 PolarHBondContact N-O 3.21Å; W79-G91 PolarHBondContact O-N 2.78Å; W79-G91 VanDerWaalsContact O-N 3.16Å; W79-M93 HydrophobicContact CH2-CB 4.42Å; W79-M93 HydrophobicContact CZ3-CB 4.01Å
80S92.4Very high89.8Confident11 Ų1168 Ų688%0.07735%0.347CS..EExtended strand (participates in β ladder)trans-103.1164.8173.7-580000109.6V34 T35 E36 I87 I88V34-S80 WeakPolarHBondContact CA-O 3.49Å; T35-S80 PolarHBondContact N-O 3.32Å; T35-S80 CarbonylContact O-C 3.47Å; T35-S80 WeakPolarHBondContact O-CA 3.36Å; T35-S80 PolarHBondContact O-N 2.87Å; E36-S80 WeakPolarHBondContact OE2-CB 3.07Å; E36-S80 PolarHBondContact OE2-OG 2.69Å; S80-I87 VanDerWaalsContact CB-CG2 3.42Å; S80-I88 CarbonylContact C-O 3.42Å; S80-I88 VanDerWaalsContact CA-O 3.24Å; S80-I88 WeakPolarHBondContact CA-O 3.25Å; S80-I88 WeakPolarHBondContact CB-O 3.44Å
81V92.2Very high89.7Confident30 Ų3067 Ų6718%0.18235%0.346CS..EExtended strand (participates in β ladder)trans-121.9139.8165.1-64.50000109.7G33 V34 I88 L90G33-V81 CarbonylContact O-C 3.49Å; G33-V81 WeakPolarHBondContact O-CA 3.45Å; G33-V81 WeakPolarHBondContact O-CB 3.3Å; V34-V81 HydrophobicContact CG2-CG1 4.08Å; V81-I88 HydrophobicContact CG2-CB 4.37Å; V81-I88 PolarHBondContact N-O 3.34Å; V81-I88 PolarHBondContact O-N 3.08Å; V81-L90 HydrophobicContact CB-CB 4.48Å; V81-L90 HydrophobicContact CG1-CB 3.9Å; V81-L90 HydrophobicContact CG1-CD2 3.49Å; V81-L90 VanDerWaalsContact CG1-CD2 3.49Å; V81-L90 HydrophobicContact CG1-CG 4.23Å; V81-L90 HydrophobicContact CG2-CB 4Å; V81-L90 HydrophobicContact CG2-CD1 4.2Å; V81-L90 HydrophobicContact CG2-CD2 4.34Å; V81-L90 HydrophobicContact CG2-CG 4.4Å
82K89.8Confident89.8Confident113 Ų11365.3 Ų65.349%0.49135%0.346SS..EExtended strand (participates in β ladder)trans-88.5110.4170.4-174.4175.7178.71780108.7G33 T35 D84 H86G33-K82 PolarHBondContact O-N 3.23Å; T35-K82 HydrophobicContact CG2-CB 3.8Å; K82-D84 WeakPolarHBondContact CE-O 3.47Å; K82-H86 WeakPolarHBondContact CA-O 3.28Å
83L87.3Confident89.9Confident106 Ų10668.3 Ų68.356%0.55536%0.36SS*.EExtended strand (participates in β ladder)trans-110.5112.8170.6-172.269.3000107.9E85 H86 I88L83-E85 PolarHBondContact O-N 2.84Å; L83-H86 PolarHBondContact N-O 3.46Å; L83-H86 PolarHBondContact O-N 3.34Å; L83-I88 HydrophobicContact CB-CD1 4.28Å; L83-I88 HydrophobicContact CD2-CD1 4.35Å
84D86.8Confident89.8Confident137 Ų13770 Ų7073%0.73338%0.377SS*.THydrogen-bonded Turntrans54.5-116.6-172-55.7-45.4000112.4K82K82-D84 WeakPolarHBondContact CE-O 3.47Å
85E84.9Confident89.8Confident171 Ų17172.8 Ų72.880%0.79939%0.391SS*.THydrogen-bonded Turntrans-93.3-2.3177.4-70.7-82.9123.800112.8L83L83-E85 PolarHBondContact O-N 2.84Å
86H87.6Confident89.9Confident133 Ų13376.1 Ų76.162%0.61641%0.409SS*.EExtended strand (participates in β ladder)trans-107.4135.7-175-59.8103.2000112.2K82 L83 I88K82-H86 WeakPolarHBondContact CA-O 3.28Å; L83-H86 PolarHBondContact N-O 3.46Å; L83-H86 PolarHBondContact O-N 3.34Å; H86-I88 HydrophobicContact CB-CG1 4.44Å
87I89.1Confident89.9Confident86 Ų8673.7 Ų73.744%0.44140%0.4SS..EExtended strand (participates in β ladder)trans-97119.4169.4-58.5175.7000107.6E36 S80E36-I87 HydrophobicContact CG-CG2 4.34Å; E36-I87 WeakPolarHBondContact OE2-CG2 3.27Å; S80-I87 VanDerWaalsContact CB-CG2 3.42Å
88I89.8Confident90Very high74 Ų7473.8 Ų73.838%0.37940%0.4SS..EExtended strand (participates in β ladder)trans-115.6122.9-176.7-56.4174.9000108.3S80 V81 L83 H86 L90S80-I88 CarbonylContact C-O 3.42Å; S80-I88 VanDerWaalsContact CA-O 3.24Å; S80-I88 WeakPolarHBondContact CA-O 3.25Å; S80-I88 WeakPolarHBondContact CB-O 3.44Å; V81-I88 HydrophobicContact CG2-CB 4.37Å; V81-I88 PolarHBondContact N-O 3.34Å; V81-I88 PolarHBondContact O-N 3.08Å; L83-I88 HydrophobicContact CB-CD1 4.28Å; L83-I88 HydrophobicContact CD2-CD1 4.35Å; H86-I88 HydrophobicContact CB-CG1 4.44Å; I88-L90 PolarHBondContact O-N 3.11Å; I88-L90 VanDerWaalsContact O-N 3.1Å
89P89.7Confident89.8Confident108 Ų10875.5 Ų75.570%0.70141%0.414SS*.EExtended strand (participates in β ladder)trans-64.7113.3172.326.9-32.2000109
90L88.7Confident89.5Confident114 Ų11480.4 Ų80.460%0.59744%0.437SS*.EExtended strand (participates in β ladder)trans-97.7-43.5-172.3-172.774.5000111.8W79 V81 I88W79-L90 PolarHBondContact O-N 2.86Å; V81-L90 HydrophobicContact CB-CB 4.48Å; V81-L90 HydrophobicContact CG1-CB 3.9Å; V81-L90 HydrophobicContact CG1-CD2 3.49Å; V81-L90 VanDerWaalsContact CG1-CD2 3.49Å; V81-L90 HydrophobicContact CG1-CG 4.23Å; V81-L90 HydrophobicContact CG2-CB 4Å; V81-L90 HydrophobicContact CG2-CD1 4.2Å; V81-L90 HydrophobicContact CG2-CD2 4.34Å; V81-L90 HydrophobicContact CG2-CG 4.4Å; I88-L90 PolarHBondContact O-N 3.11Å; I88-L90 VanDerWaalsContact O-N 3.1Å
91G88.7Confident89.3Confident19 Ų1982.2 Ų82.220%0.19645%0.445CS..EExtended strand (participates in β ladder)trans-144.9151.7-169.400000114.1T78 W79T78-G91 WeakPolarHBondContact CA-O 3.4Å; W79-G91 VanDerWaalsContact CE2-CA 3.48Å; W79-G91 PolarHBondContact N-O 3.21Å; W79-G91 PolarHBondContact O-N 2.78Å; W79-G91 VanDerWaalsContact O-N 3.16Å
92S90.6Very high88.8Confident83 Ų8385.8 Ų85.858%0.5847%0.467SS*.EExtended strand (participates in β ladder)trans-137.7140.5174.566.40000110.1M77M77-S92 CarbonylContact O-C 3.54Å; M77-S92 VanDerWaalsContact O-CA 3.25Å; M77-S92 WeakPolarHBondContact O-CA 2.89Å
93M90.4Very high88.1Confident71 Ų7185.2 Ų85.235%0.3547%0.467SS..EExtended strand (participates in β ladder)trans-127.7125.4172.3173.2179.3-69.100107.4I24 F75 M77 W79I24-M93 HydrophobicContact CD1-CE 3.82Å; I24-M93 HydrophobicContact CD1-SD 3.83Å; F75-M93 HydrophobicContact CE2-CG 4.15Å; F75-M93 HydrophobicContact CE2-SD 4.32Å; F75-M93 HydrophobicContact CZ-SD 4.38Å; M77-M93 WeakPolarHBondContact CA-O 3.23Å; M77-M93 HydrophobicContact CB-CB 4.26Å; M77-M93 PolarHBondContact N-O 2.83Å; M77-M93 PolarHBondContact O-N 2.89Å; W79-M93 HydrophobicContact CH2-CB 4.42Å; W79-M93 HydrophobicContact CZ3-CB 4.01Å
94A90.4Very high87.3Confident58 Ų5887.9 Ų87.948%0.47948%0.48SS..EExtended strand (participates in β ladder)trans-133.3134.9-178.700000111.1F75F75-A94 CarbonylContact O-C 3.56Å; F75-A94 WeakPolarHBondContact O-CA 3.43Å
95I90.3Very high86.2Confident58 Ų5885.5 Ų85.530%0.29747%0.471SS..EExtended strand (participates in β ladder)trans-98.8123158.7-60.3-170.6000108F68 G74 F75F68-I95 HydrophobicContact CE1-CD1 4.46Å; F68-I95 HydrophobicContact CE1-CG2 3.67Å; F68-I95 HydrophobicContact CE2-CD1 4.49Å; F68-I95 HydrophobicContact CZ-CB 4.38Å; F68-I95 HydrophobicContact CZ-CD1 3.9Å; F68-I95 HydrophobicContact CZ-CG2 3.89Å; G74-I95 VanDerWaalsContact CA-O 3.32Å; G74-I95 WeakPolarHBondContact CA-O 3.4Å; F75-I95 HydrophobicContact CD1-CB 4.07Å; F75-I95 HydrophobicContact CD1-CD1 3.94Å; F75-I95 HydrophobicContact CD1-CG1 3.96Å; F75-I95 HydrophobicContact CE1-CB 4.1Å; F75-I95 HydrophobicContact CE1-CD1 3.22Å; F75-I95 HydrophobicContact CE1-CG1 3.46Å; F75-I95 VanDerWaalsContact CE1-CG1 3.46Å; F75-I95 HydrophobicContact CZ-CD1 3.84Å; F75-I95 HydrophobicContact CZ-CG1 3.77Å; F75-I95 PolarHBondContact N-O 3.01Å; F75-I95 PolarHBondContact O-N 2.87Å
96N91.4Very high84.8Confident77 Ų7786.3 Ų86.341%0.41248%0.475SS..PPolyproline II helixtrans-67.3147.8179.6-77.8-47000111.4Y69 K100 L101Y69-N96 VanDerWaalsContact CE1-O 3.28Å; Y69-N96 WeakPolarHBondContact CE1-O 3.19Å; Y69-N96 PolarHBondContact OH-O 2.85Å; N96-K100 HydrophobicContact CB-CB 4.14Å; N96-L101 HydrophobicContact CB-CD2 4.39Å
97S91.1Very high83Confident15 Ų1582.4 Ų82.411%0.10546%0.463CS..PPolyproline II helixtrans-67.3154.7169.4-56.60000110K42 N73 S99 K100 L101K42-S97 WeakPolarHBondContact CD-OG 3.5Å; K42-S97 PolarHBondContact NZ-OG 2.82Å; N73-S97 VanDerWaalsContact O-CA 3.3Å; N73-S97 WeakPolarHBondContact O-CA 3.32Å; N73-S97 WeakPolarHBondContact O-CB 3.44Å; N73-S97 PolarHBondContact O-OG 3.15Å; N73-S97 VanDerWaalsContact OD1-CA 3.25Å; N73-S97 WeakPolarHBondContact OD1-CA 3.48Å; N73-S97 WeakPolarHBondContact OD1-CB 3.47Å; S97-S99 PolarHBondContact O-N 2.85Å; S97-S99 VanDerWaalsContact O-N 3.11Å; S97-K100 WeakPolarHBondContact O-CA 3.42Å; S97-K100 PolarHBondContact O-N 3.15Å; S97-L101 PolarHBondContact O-N 3.48Å
98I92.1Very high81.2Confident1 Ų182.8 Ų82.81%0.00547%0.473CS..G310 helixtrans-54.5-36.7-177.5-168.5158.8000113A45 M49 I50 W53 M61 Y69 N73 K100 L101A45-I98 HydrophobicContact CB-CG2 4.28Å; M49-I98 HydrophobicContact CB-CG2 4.22Å; I50-I98 HydrophobicContact CB-CD1 3.88Å; I50-I98 HydrophobicContact CG1-CD1 3.56Å; I50-I98 HydrophobicContact CG2-CD1 4.05Å; W53-I98 HydrophobicContact CB-CD1 4.05Å; W53-I98 HydrophobicContact CB-CG1 3.82Å; W53-I98 HydrophobicContact CD2-CG1 4.24Å; W53-I98 HydrophobicContact CG-CD1 4.3Å; W53-I98 HydrophobicContact CG-CG1 3.74Å; W53-I98 PolarHBondContact NE1-O 2.97Å; M61-I98 HydrophobicContact CE-CD1 3.8Å; M61-I98 HydrophobicContact CE-CG1 4.26Å; M61-I98 HydrophobicContact SD-CD1 4.32Å; Y69-I98 HydrophobicContact CD1-CB 3.93Å; Y69-I98 HydrophobicContact CD2-CD1 4.43Å; Y69-I98 HydrophobicContact CE1-CB 4.13Å; Y69-I98 HydrophobicContact CG-CB 4.25Å; Y69-I98 HydrophobicContact CG-CD1 4.4Å; N73-I98 PolarHBondContact OD1-N 3.38Å; I98-K100 PolarHBondContact O-N 2.87Å; I98-K100 VanDerWaalsContact O-N 3.14Å; I98-L101 HydrophobicContact CG1-CD1 4.26Å; I98-L101 WeakPolarHBondContact O-CB 3.19Å; I98-L101 PolarHBondContact O-N 3.13Å
99S88.3Confident79.4Confident77 Ų7786.2 Ų86.254%0.53849%0.489SS..G310 helixtrans-62.2-22.9177.4-41.80000114.1M49 S97M49-S99 WeakPolarHBondContact CE-OG 3.45Å; S97-S99 PolarHBondContact O-N 2.85Å; S97-S99 VanDerWaalsContact O-N 3.11Å
100K88.6Confident77.6Confident147 Ų14788.2 Ų88.264%0.63948%0.483SS*.G310 helixtrans-100.2-1.8178.7-65.8-172.3178.2-1720112.6N96 S97 I98 T102N96-K100 HydrophobicContact CB-CB 4.14Å; S97-K100 WeakPolarHBondContact O-CA 3.42Å; S97-K100 PolarHBondContact O-N 3.15Å; I98-K100 PolarHBondContact O-N 2.87Å; I98-K100 VanDerWaalsContact O-N 3.14Å; K100-T102 PolarHBondContact O-N 3.15Å
101L87.6Confident75.8Confident48 Ų4886.6 Ų86.625%0.25148%0.482SS..  trans-70130.5172.7-69.1-175.7000109.4W53 M61 Y69 N96 S97 I98W53-L101 HydrophobicContact CZ2-CB 3.76Å; W53-L101 HydrophobicContact CZ2-CD1 4.3Å; W53-L101 PolarHBondContact NE1-O 3.16Å; M61-L101 HydrophobicContact CE-CD1 3.77Å; Y69-L101 HydrophobicContact CE2-CD1 3.68Å; Y69-L101 WeakPolarHBondContact OH-CD1 3.29Å; Y69-L101 WeakPolarHBondContact OH-CD2 3.48Å; N96-L101 HydrophobicContact CB-CD2 4.39Å; S97-L101 PolarHBondContact O-N 3.48Å; I98-L101 HydrophobicContact CG1-CD1 4.26Å; I98-L101 WeakPolarHBondContact O-CB 3.19Å; I98-L101 PolarHBondContact O-N 3.13Å
102T81.9Confident74.5Confident106 Ų10691 Ų9165%0.6550%0.501SS*.  trans-116.1141.8171.5-1750000108.4K100 L104K100-T102 PolarHBondContact O-N 3.15Å; T102-L104 PolarHBondContact O-N 3.46Å
103Q74.4Confident73.2Confident101 Ų10193.2 Ų93.247%0.47251%0.513SS..  trans-60.8123.8167.4-171.51806.200108.7T105Q103-T105 VanDerWaalsContact C-N 3.26Å; Q103-T105 HydrophobicContact CG-CG2 4.11Å; Q103-T105 PolarHBondContact O-N 3.45Å; Q103-T105 VanDerWaalsContact O-N 3.08Å
104L71.4Confident71.9Confident161 Ų16197 Ų9784%0.84354%0.535SS*.  trans-78.386.5164.5-65.8173.2000106.4T102T102-L104 PolarHBondContact O-N 3.46Å
105T62.5Low70.8Confident87 Ų8795.1 Ų95.153%0.53452%0.518SS..  trans-66.5145.416444.10000107.7Q103 S107Q103-T105 VanDerWaalsContact C-N 3.26Å; Q103-T105 HydrophobicContact CG-CG2 4.11Å; Q103-T105 PolarHBondContact O-N 3.45Å; Q103-T105 VanDerWaalsContact O-N 3.08Å; T105-S107 PolarHBondContact O-N 3.12Å; T105-S107 PolarHBondContact O-OG 2.9Å
106Q55.5Low69.5Low188 Ų18897.2 Ų97.288%0.87954%0.536SS*.  trans-52.598.4170.5-75.3-176.3-17.200107.2S108Q106-S108 PolarHBondContact O-N 2.8Å
107S50.2Low68.6Low52 Ų5296.7 Ų96.736%0.36454%0.535SS..  trans-63.2133.6178.1-42.30000104.4T105 M109 Y110T105-S107 PolarHBondContact O-N 3.12Å; T105-S107 PolarHBondContact O-OG 2.9Å; S107-M109 PolarHBondContact O-N 2.91Å; S107-Y110 PolarHBondContact O-N 3.4Å
108S52.5Low67.2Low94 Ų94103.2 Ų103.266%0.65757%0.569SS**G310 helixtrans-55.6-15.7177.647.10000113Q106 Y110 S111Q106-S108 PolarHBondContact O-N 2.8Å; S108-Y110 PolarHBondContact O-N 3.26Å; S108-S111 VanDerWaalsContact C-OG 3.28Å; S108-S111 WeakPolarHBondContact CA-OG 3.44Å; S108-S111 PolarHBondContact O-N 3.04Å; S108-S111 PolarHBondContact O-OG 3.14Å
109M51.5Low66Low146 Ų146105.9 Ų105.972%0.71959%0.59SS**G310 helixtrans-53.4-33.8165.7-69.6-79.1-80.300114.1S107S107-M109 PolarHBondContact O-N 2.91Å
110Y50.9Low65.3Low149 Ų149107.6 Ų107.658%0.58459%0.594SS**G310 helixtrans-98.42.7175.7-54.8-75.8000113.1S107 S108 L112S107-Y110 PolarHBondContact O-N 3.4Å; S108-Y110 PolarHBondContact O-N 3.26Å; Y110-L112 VanDerWaalsContact C-N 3.31Å
111S52.1Low64.2Low81 Ų81107.2 Ų107.257%0.56660%0.598SS**  trans-91.48.1173.9700000113.2S108S108-S111 VanDerWaalsContact C-OG 3.28Å; S108-S111 WeakPolarHBondContact CA-OG 3.44Å; S108-S111 PolarHBondContact O-N 3.04Å; S108-S111 PolarHBondContact O-OG 3.14Å
112L60.1Low63Low112 Ų112112 Ų11259%0.58662%0.619SS**SBendtrans-61.8140170.1-64.5169000108.4Y110 N114 A115Y110-L112 VanDerWaalsContact C-N 3.31Å; L112-N114 PolarHBondContact O-N 3.02Å; L112-A115 HydrophobicContact CB-CB 3.94Å; L112-A115 PolarHBondContact O-N 3.3Å
113P63Low61.9Low128 Ų128113.7 Ų113.783%0.83162%0.624SS**THydrogen-bonded Turntrans-59.1-10.3-176.120.2-30.8000114.6
114N64.2Low61.2Low152 Ų152115 Ų11581%0.81363%0.634SS**THydrogen-bonded Turntrans-131.414.4179.6-71.163.4000113.2L112L112-N114 PolarHBondContact O-N 3.02Å
115A67.4Low60.6Low17 Ų17113.6 Ų113.614%0.1463%0.632CS.*SBendtrans-73.2137.9174.500000109.5L112 T117L112-A115 HydrophobicContact CB-CB 3.94Å; L112-A115 PolarHBondContact O-N 3.3Å; A115-T117 WeakPolarHBondContact O-CG2 3.26Å; A115-T117 PolarHBondContact O-N 3.08Å
116P62.8Low60.3Low102 Ų102115.9 Ų115.966%0.66264%0.637SS**  trans-59.5123.6172.224.5-31.6000108.8D120P116-D120 VanDerWaalsContact CA-OD2 3.27Å; P116-D120 WeakPolarHBondContact CA-OD2 3.23Å
117T73.1Confident60.2Low66 Ų66114.7 Ų114.741%0.40563%0.631SS.*  trans-106.6170.2179.3670000110A115 A119 D120A115-T117 WeakPolarHBondContact O-CG2 3.26Å; A115-T117 PolarHBondContact O-N 3.08Å; T117-A119 PolarHBondContact O-N 3.23Å; T117-A119 VanDerWaalsContact O-N 3.14Å; T117-A119 PolarHBondContact OG1-N 3.43Å; T117-D120 PolarHBondContact N-OD2 3.26Å; T117-D120 PolarHBondContact O-N 2.99Å; T117-D120 VanDerWaalsContact O-N 3.11Å; T117-D120 PolarHBondContact OG1-OD2 3.37Å
118L60.5Low60.4Low153 Ų153119.1 Ų119.180%0.80165%0.651SS**G310 helixtrans-59.7-20.3172.3-75.1170000113.1D120 L121L118-D120 VanDerWaalsContact C-N 3.31Å; L118-L121 PolarHBondContact O-N 2.9Å
119A68.4Low60.1Low56 Ų56120.7 Ų120.746%0.46365%0.652SS.*G310 helixtrans-73.9-19.8177.200000113.3T117 L121 E122T117-A119 PolarHBondContact O-N 3.23Å; T117-A119 VanDerWaalsContact O-N 3.14Å; T117-A119 PolarHBondContact OG1-N 3.43Å; A119-L121 PolarHBondContact O-N 3.12Å; A119-E122 WeakPolarHBondContact O-CG 3.25Å
120D72.6Confident59.7Low113 Ų113125.4 Ų125.460%0.60468%0.679SS**G310 helixtrans-77.6-8177.1-60.3-62.1000113P116 T117 L118P116-D120 VanDerWaalsContact CA-OD2 3.27Å; P116-D120 WeakPolarHBondContact CA-OD2 3.23Å; T117-D120 PolarHBondContact N-OD2 3.26Å; T117-D120 PolarHBondContact O-N 2.99Å; T117-D120 VanDerWaalsContact O-N 3.11Å; T117-D120 PolarHBondContact OG1-OD2 3.37Å; L118-D120 VanDerWaalsContact C-N 3.31Å
121L65.2Low60.1Low140 Ų140124.3 Ų124.373%0.73368%0.684SS**G310 helixtrans-98.93.7178.1-67.5172.2000112.9L118 A119 D123L118-L121 PolarHBondContact O-N 2.9Å; A119-L121 PolarHBondContact O-N 3.12Å; L121-D123 VanDerWaalsContact C-N 3.25Å; L121-D123 PolarHBondContact O-N 2.92Å
122E63.9Low60.5Low149 Ų149126.5 Ų126.570%0.69669%0.69SS**  trans-71.385.5172.2-58.9-178.8-157.100108A119 D124A119-E122 WeakPolarHBondContact O-CG 3.25Å; E122-D124 PolarHBondContact O-N 3.37Å
123D58.3Low60.5Low141 Ų141127.3 Ų127.375%0.75470%0.696SS**  trans-66110.5171.7-165.626.4000107.6L121 T125L121-D123 VanDerWaalsContact C-N 3.25Å; L121-D123 PolarHBondContact O-N 2.92Å; D123-T125 PolarHBondContact O-N 2.95Å
124D58.9Low60.4Low127 Ų127127.3 Ų127.368%0.67969%0.688SS**  trans-55.786.9176.2-95.8-25.7000109.4E122 H126E122-D124 PolarHBondContact O-N 3.37Å; D124-H126 PolarHBondContact O-N 2.97Å; D124-H126 IonicContact OD1-CD2 3.72Å; D124-H126 IonicContact OD1-NE2 3.6Å; D124-H126 IonicContact OD2-CD2 3.93Å
125T59Low60.2Low132 Ų132125.8 Ų125.881%0.8168%0.68SS**  trans-7663.3164.438.60000108.4D123 E127D123-T125 PolarHBondContact O-N 2.95Å; T125-E127 PolarHBondContact O-N 2.83Å
126H56.8Low59.7Low135 Ų135133 Ų13363%0.62572%0.716SS**  trans-73.479161.2-77.6-66.6000108.8D124 D128D124-H126 PolarHBondContact O-N 2.97Å; D124-H126 IonicContact OD1-CD2 3.72Å; D124-H126 IonicContact OD1-NE2 3.6Å; D124-H126 IonicContact OD2-CD2 3.93Å; H126-D128 VanDerWaalsContact C-N 3.33Å; H126-D128 PolarHBondContact O-N 2.68Å
127E52.8Low59.5Low164 Ų164135.2 Ų135.277%0.76672%0.72SS**  trans-90.679.9150.6-75.3-152.1141.900108.4T125 N129T125-E127 PolarHBondContact O-N 2.83Å; E127-N129 PolarHBondContact O-N 2.86Å; E127-N129 VanDerWaalsContact O-N 3.08Å
128D53.4Low58.4Low145 Ų145140.5 Ų140.578%0.77574%0.744SS**  trans-6399.9153.4-80-42.7000107.7H126H126-D128 VanDerWaalsContact C-N 3.33Å; H126-D128 PolarHBondContact O-N 2.68Å
129N46.7Very low58.2Low127 Ų127139.5 Ų139.568%0.67974%0.739SS**  trans-11995.2165.1-95-53.1000110.1E127E127-N129 PolarHBondContact O-N 2.86Å; E127-N129 VanDerWaalsContact O-N 3.08Å
130L42.8Very low57.3Low245 Ų245147.1 Ų147.1100%1.28376%0.764SS**  trans59.90151.9-120.282.5000120.5

Retrieved 130 of 130 residues in 94.1 ms (Link to these results)