G4VSC8_SCHMA Loading...

Large ribosomal subunit protein eL28

AlphaFold DB , UniProt , Accession G4VSC8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 134 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
1M77Confident93.5Very high200 Ų20080.3 Ų80.399%0.98542%0.418SS*.  0139.30-76.6-175.8175.200110.9V6M1-V6 HydrophobicContact CB-CG2 4.07Å; M1-V6 HydrophobicContact SD-CG2 4.18Å
2S91.6Very high93.6Very high66 Ų6681.8 Ų81.846%0.46242%0.422SS..  trans-74.3139172.81760000110.4H4 V6S2-H4 VanDerWaalsContact C-N 3.33Å; S2-H4 PolarHBondContact O-N 3.09Å; S2-H4 PolarHBondContact OG-N 3.1Å; S2-V6 WeakPolarHBondContact O-CG2 3.42Å; S2-V6 PolarHBondContact O-N 3.04Å
3S94.1Very high93.6Very high37 Ų3786.4 Ų86.426%0.25945%0.447SS..Hα-helixtrans-64.2-37.2177.444.90000112.2V6 W7 V44S3-V6 PolarHBondContact O-N 2.99Å; S3-W7 WeakPolarHBondContact O-CB 3.28Å; S3-W7 PolarHBondContact O-N 3.31Å; S3-V44 WeakPolarHBondContact O-CG1 3.29Å
4H96.5Very high93.7Very high109 Ų10981.9 Ų81.951%0.50542%0.423SS..Hα-helixtrans-65.5-45.6-180-71.8-85.1000111.6S2 V6 W7 D8 F38S2-H4 VanDerWaalsContact C-N 3.33Å; S2-H4 PolarHBondContact O-N 3.09Å; S2-H4 PolarHBondContact OG-N 3.1Å; H4-V6 PolarHBondContact O-N 3.11Å; H4-W7 WeakPolarHBondContact O-CB 3.4Å; H4-W7 PolarHBondContact O-N 3.15Å; H4-W7 VanDerWaalsContact O-N 3.15Å; H4-D8 PolarHBondContact O-N 3.32Å; H4-F38 AromaticContact CE1-CE1 3.71Å; H4-F38 AromaticContact CE1-CZ 3.5Å; H4-F38 VanDerWaalsContact CE1-CZ 3.5Å; H4-F38 WeakPolarHBondContact CE1-CZ 3.23Å; H4-F38 AromaticContact ND1-CZ 3.79Å; H4-F38 AromaticContact NE2-CZ 3.63Å
5L95.8Very high93.8Very high100 Ų10084.1 Ų84.152%0.52445%0.447SS..Hα-helixtrans-58.5-49.5175.9-179.965.4000111.4W7 D8 L9L5-W7 PolarHBondContact O-N 3.14Å; L5-D8 PolarHBondContact O-N 3.14Å; L5-L9 HydrophobicContact CG-CD1 4.27Å; L5-L9 WeakPolarHBondContact O-CG 3.38Å; L5-L9 PolarHBondContact O-N 3.43Å; L5-L9 VanDerWaalsContact O-N 3.1Å
6V95.6Very high93.9Very high30 Ų3083.3 Ų83.318%0.18244%0.438CS..Hα-helixtrans-59.5-40.2178.5175.80000110.6M1 S2 S3 H4 L9 I10 V44M1-V6 HydrophobicContact CB-CG2 4.07Å; M1-V6 HydrophobicContact SD-CG2 4.18Å; S2-V6 WeakPolarHBondContact O-CG2 3.42Å; S2-V6 PolarHBondContact O-N 3.04Å; S3-V6 PolarHBondContact O-N 2.99Å; H4-V6 PolarHBondContact O-N 3.11Å; V6-L9 PolarHBondContact O-N 3.44Å; V6-I10 HydrophobicContact CG1-CD1 4.23Å; V6-I10 HydrophobicContact CG1-CG2 4.47Å; V6-I10 WeakPolarHBondContact O-CG1 3.4Å; V6-I10 WeakPolarHBondContact O-CG2 3.32Å; V6-I10 PolarHBondContact O-N 3Å; V6-V44 HydrophobicContact CG1-CG2 4.28Å
7W96.8Very high94Very high39 Ų3980.2 Ų80.215%0.14842%0.422CS..Hα-helixtrans-64.1-45.6176.9176.4-114.2000113S3 H4 L5 L9 I10 K11 N36 F38 C41 V44S3-W7 WeakPolarHBondContact O-CB 3.28Å; S3-W7 PolarHBondContact O-N 3.31Å; H4-W7 WeakPolarHBondContact O-CB 3.4Å; H4-W7 PolarHBondContact O-N 3.15Å; H4-W7 VanDerWaalsContact O-N 3.15Å; L5-W7 PolarHBondContact O-N 3.14Å; W7-L9 PolarHBondContact O-N 3.11Å; W7-I10 HydrophobicContact CE3-CG1 4.36Å; W7-I10 PolarHBondContact O-N 3.31Å; W7-K11 HydrophobicContact CD2-CB 3.86Å; W7-K11 HydrophobicContact CE3-CB 4.07Å; W7-K11 HydrophobicContact CG-CB 4.48Å; W7-K11 HydrophobicContact CH2-CB 3.97Å; W7-K11 HydrophobicContact CZ2-CB 3.72Å; W7-K11 HydrophobicContact CZ3-CB 4.14Å; W7-K11 WeakPolarHBondContact O-CA 3.36Å; W7-K11 WeakPolarHBondContact O-CB 3.49Å; W7-K11 WeakPolarHBondContact O-CG 3Å; W7-K11 PolarHBondContact O-N 3.22Å; W7-N36 VanDerWaalsContact CH2-OD1 3.26Å; W7-N36 WeakPolarHBondContact CH2-OD1 3.48Å; W7-N36 WeakPolarHBondContact CZ3-OD1 3.48Å; W7-F38 HydrophobicContact CB-CD2 3.56Å; W7-F38 HydrophobicContact CB-CE2 3.86Å; W7-F38 AromaticContact CD1-CD2 3.78Å; W7-F38 HydrophobicContact CD2-CB 4.05Å; W7-F38 AromaticContact CD2-CD2 3.96Å; W7-F38 HydrophobicContact CD2-CD2 3.96Å; W7-F38 HydrophobicContact CG-CB 4.23Å; W7-F38 AromaticContact CG-CD2 3.46Å; W7-F38 HydrophobicContact CG-CD2 3.46Å; W7-F38 VanDerWaalsContact CG-CD2 3.46Å; W7-F38 HydrophobicContact CG-CE2 4.24Å; W7-F38 HydrophobicContact CG-CG 4.29Å; W7-F38 HydrophobicContact CZ2-CB 4.26Å; W7-C41 HydrophobicContact CE3-CB 4.46Å; W7-C41 HydrophobicContact CZ3-CB 4.15Å; W7-V44 HydrophobicContact CB-CG1 4.17Å; W7-V44 HydrophobicContact CB-CG2 4.04Å; W7-V44 HydrophobicContact CE3-CG2 3.84Å
8D96.6Very high94.1Very high88 Ų8879.6 Ų79.647%0.47142%0.418SS..Hα-helixtrans-62.4-33.5179.4-77.3-39000112.5H4 L5 K11H4-D8 PolarHBondContact O-N 3.32Å; L5-D8 PolarHBondContact O-N 3.14Å; D8-K11 IonicContact OD1-NZ 2.69Å; D8-K11 PolarHBondContact OD1-NZ 2.97Å
9L95.5Very high94.1Very high124 Ų12483.2 Ų83.265%0.64943%0.43SS*.Hα-helixtrans-68.3-46.4173-65.7170.9000112.4L5 V6 W7L5-L9 HydrophobicContact CG-CD1 4.27Å; L5-L9 WeakPolarHBondContact O-CG 3.38Å; L5-L9 PolarHBondContact O-N 3.43Å; L5-L9 VanDerWaalsContact O-N 3.1Å; V6-L9 PolarHBondContact O-N 3.44Å; W7-L9 PolarHBondContact O-N 3.11Å
10I95.6Very high93.9Very high33 Ų3388.2 Ų88.217%0.16944%0.443CS..Hα-helixtrans-97.1-14.4-168.777.3176.5000114.9V6 W7 H12 N13 H14 L43 V44V6-I10 HydrophobicContact CG1-CD1 4.23Å; V6-I10 HydrophobicContact CG1-CG2 4.47Å; V6-I10 WeakPolarHBondContact O-CG1 3.4Å; V6-I10 WeakPolarHBondContact O-CG2 3.32Å; V6-I10 PolarHBondContact O-N 3Å; W7-I10 HydrophobicContact CE3-CG1 4.36Å; W7-I10 PolarHBondContact O-N 3.31Å; I10-H12 PolarHBondContact O-N 3.17Å; I10-N13 PolarHBondContact O-N 3.45Å; I10-N13 VanDerWaalsContact O-N 3.17Å; I10-H14 HydrophobicContact CB-CB 4.31Å; I10-H14 PolarHBondContact O-ND1 3.05Å; I10-L43 HydrophobicContact CD1-CB 3.99Å; I10-L43 HydrophobicContact CD1-CD1 4.27Å; I10-V44 HydrophobicContact CD1-CG2 3.65Å; I10-V44 HydrophobicContact CG1-CG2 4.24Å
11K94Very high93.8Very high57 Ų5787.9 Ų87.925%0.24846%0.461CS..SBendtrans-55.9-26-170.659-178.8178.7-164.20114.3W7 D8 N36W7-K11 HydrophobicContact CD2-CB 3.86Å; W7-K11 HydrophobicContact CE3-CB 4.07Å; W7-K11 HydrophobicContact CG-CB 4.48Å; W7-K11 HydrophobicContact CH2-CB 3.97Å; W7-K11 HydrophobicContact CZ2-CB 3.72Å; W7-K11 HydrophobicContact CZ3-CB 4.14Å; W7-K11 WeakPolarHBondContact O-CA 3.36Å; W7-K11 WeakPolarHBondContact O-CB 3.49Å; W7-K11 WeakPolarHBondContact O-CG 3Å; W7-K11 PolarHBondContact O-N 3.22Å; D8-K11 IonicContact OD1-NZ 2.69Å; D8-K11 PolarHBondContact OD1-NZ 2.97Å; K11-N36 PolarHBondContact O-ND2 3.3Å
12H94.8Very high94.5Very high99 Ų9990.7 Ų90.746%0.45846%0.461SS..SBendtrans-116.4-10.4-179-58.1-34.4000114.4I10 L17 R24I10-H12 PolarHBondContact O-N 3.17Å; H12-L17 WeakPolarHBondContact O-CD2 3.33Å; H12-R24 PolarHBondContact CE1-NH1 2.98Å; H12-R24 PolarHBondContact ND1-NH1 2.97Å
13N93.1Very high94.5Very high141 Ų14191.9 Ų91.975%0.75446%0.459SS*.SBendtrans-14375.9-172.1-169.68.6000111.4I10I10-N13 PolarHBondContact O-N 3.45Å; I10-N13 VanDerWaalsContact O-N 3.17Å
14H94.7Very high94.5Very high23 Ų2396.2 Ų96.211%0.10647%0.47CS..  trans-140.6148.617064.8-84.9000110.8I10 F16 L17 S26 N36I10-H14 HydrophobicContact CB-CB 4.31Å; I10-H14 PolarHBondContact O-ND1 3.05Å; H14-F16 PolarHBondContact O-N 3.37Å; H14-F16 VanDerWaalsContact O-N 3.12Å; H14-L17 PolarHBondContact CD2-N 2.89Å; H14-L17 PolarHBondContact NE2-N 3.49Å; H14-L17 WeakPolarHBondContact O-CB 3.16Å; H14-L17 PolarHBondContact O-N 3.32Å; H14-S26 PolarHBondContact NE2-OG 3.5Å; H14-N36 PolarHBondContact CE1-OD1 3.4Å
15C95.2Very high94.5Very high116 Ų11694 Ų9478%0.78446%0.459SS*.THydrogen-bonded Turntrans-62-23.3-173.760.40000114.6L17C15-L17 VanDerWaalsContact C-N 3.32Å
16F96Very high94.5Very high70 Ų7089.5 Ų89.531%0.30744%0.436SS..THydrogen-bonded Turntrans-83.5-6.5176.1-49.2-78.4000113.8H14 M18 S26 R27 D28 L43H14-F16 PolarHBondContact O-N 3.37Å; H14-F16 VanDerWaalsContact O-N 3.12Å; F16-M18 PolarHBondContact O-N 3.01Å; F16-S26 WeakPolarHBondContact O-CA 3.03Å; F16-R27 HydrophobicContact CB-CB 4.48Å; F16-R27 PolarHBondContact O-N 3.04Å; F16-D28 HydrophobicContact CB-CB 4.47Å; F16-D28 HydrophobicContact CG-CB 4.44Å; F16-L43 HydrophobicContact CD2-CD1 3.75Å; F16-L43 HydrophobicContact CE2-CD1 3.9Å; F16-L43 HydrophobicContact CE2-CD2 4.26Å
17L95.9Very high94.5Very high32 Ų3297.5 Ų97.517%0.16846%0.463CS..EExtended strand (participates in β ladder)trans-69.4126.6-177.4-176.658.3000110.1H12 H14 C15 K19 R24 N36H12-L17 WeakPolarHBondContact O-CD2 3.33Å; H14-L17 PolarHBondContact CD2-N 2.89Å; H14-L17 PolarHBondContact NE2-N 3.49Å; H14-L17 WeakPolarHBondContact O-CB 3.16Å; H14-L17 PolarHBondContact O-N 3.32Å; C15-L17 VanDerWaalsContact C-N 3.32Å; L17-K19 HydrophobicContact CD2-CG 4.49Å; L17-K19 HydrophobicContact CG-CG 4.29Å; L17-R24 HydrophobicContact CD1-CB 4.37Å; L17-N36 HydrophobicContact CD1-CB 3.99Å; L17-N36 VanDerWaalsContact CD1-ND2 3.31Å; L17-N36 WeakPolarHBondContact CD1-ND2 3.24Å
18M95.4Very high94.3Very high69 Ų6996 Ų9634%0.3446%0.458SS..EExtended strand (participates in β ladder)trans-123.7114.6174.6-169.4-179.2115.900108.9F16 R20 F25F16-M18 PolarHBondContact O-N 3.01Å; M18-R20 HydrophobicContact CE-CB 4.38Å; M18-F25 HydrophobicContact CB-CB 4.35Å; M18-F25 PolarHBondContact N-O 3.1Å; M18-F25 PolarHBondContact O-N 3.14Å
19K93.9Very high94.2Very high148 Ų14894.1 Ų94.164%0.64345%0.451SS*.EExtended strand (participates in β ladder)trans-95.5121.3178.5-60175.7-174.3172.50108L17L17-K19 HydrophobicContact CD2-CG 4.49Å; L17-K19 HydrophobicContact CG-CG 4.29Å
20R91.1Very high94.2Very high183 Ų18388.9 Ų88.969%0.69142%0.423SS*.EExtended strand (participates in β ladder)trans-141.4109.7178.3-160.3173.8-172.4175.32.4109.8M18 E23M18-R20 HydrophobicContact CE-CB 4.38Å; R20-E23 PolarHBondContact N-O 3.17Å; R20-E23 VanDerWaalsContact N-O 3.17Å; R20-E23 PolarHBondContact O-N 2.88Å
21G90.7Very high94.2Very high81 Ų8187.7 Ų87.784%0.83542%0.417SS*.THydrogen-bonded Turntrans58.9-134.6-172.300000111.7E23G21-E23 VanDerWaalsContact C-N 3.34Å
22R91.3Very high94.3Very high260 Ų26085.3 Ų85.398%0.98141%0.407SS*.THydrogen-bonded Turntrans-80.3-10.7179.2-62.1-176.9-177.6-168.4-0.3114
23E92.3Very high94.2Very high91 Ų9185.3 Ų85.343%0.42541%0.406SS..EExtended strand (participates in β ladder)trans-100.9148.3-177.7-65.7-155.8131.200112.8R20 G21 F25 K35R20-E23 PolarHBondContact N-O 3.17Å; R20-E23 VanDerWaalsContact N-O 3.17Å; R20-E23 PolarHBondContact O-N 2.88Å; G21-E23 VanDerWaalsContact C-N 3.34Å; E23-F25 HydrophobicContact CB-CD2 4.45Å; E23-F25 HydrophobicContact CB-CE2 3.7Å; E23-F25 HydrophobicContact CB-CZ 3.87Å; E23-F25 WeakPolarHBondContact OE2-CZ 3.28Å; E23-K35 IonicContact OE1-NZ 2.93Å; E23-K35 PolarHBondContact OE1-NZ 3.31Å; E23-K35 IonicContact OE2-NZ 3.33Å
24R94.5Very high94.3Very high128 Ų12879.5 Ų79.548%0.48338%0.379SS..EExtended strand (participates in β ladder)trans-113.4120.7175.5-60.7178.2-173.4170.7-1.3109.5H12 L17 N36H12-R24 PolarHBondContact CE1-NH1 2.98Å; H12-R24 PolarHBondContact ND1-NH1 2.97Å; L17-R24 HydrophobicContact CD1-CB 4.37Å; R24-N36 HydrophobicContact CB-CB 3.92Å; R24-N36 WeakPolarHBondContact O-CB 3.32Å; R24-N36 PolarHBondContact O-N 2.98Å
25F96Very high94.3Very high61 Ų6181.8 Ų81.827%0.26839%0.388SS..EExtended strand (participates in β ladder)trans-108.8163.5177.7-61-79.3000110.9M18 E23 G34 K35M18-F25 HydrophobicContact CB-CB 4.35Å; M18-F25 PolarHBondContact N-O 3.1Å; M18-F25 PolarHBondContact O-N 3.14Å; E23-F25 HydrophobicContact CB-CD2 4.45Å; E23-F25 HydrophobicContact CB-CE2 3.7Å; E23-F25 HydrophobicContact CB-CZ 3.87Å; E23-F25 WeakPolarHBondContact OE2-CZ 3.28Å; F25-G34 CarbonylContact C-O 3.47Å; F25-G34 VanDerWaalsContact CA-O 3.23Å; F25-G34 WeakPolarHBondContact CA-O 3.38Å; F25-G34 WeakPolarHBondContact CB-O 3.35Å; F25-G34 WeakPolarHBondContact CD1-O 3.26Å; F25-K35 HydrophobicContact CD1-CG 4.38Å; F25-K35 HydrophobicContact CE1-CG 4.37Å
26S95.9Very high94.3Very high7 Ų777.3 Ų77.35%0.04936%0.356CS..EExtended strand (participates in β ladder)trans-135.7130.8174.7-178.70000109.3H14 F16 D28 G34H14-S26 PolarHBondContact NE2-OG 3.5Å; F16-S26 WeakPolarHBondContact O-CA 3.03Å; S26-D28 PolarHBondContact O-N 2.69Å; S26-D28 PolarHBondContact OG-N 3.21Å; S26-G34 PolarHBondContact N-O 3.49Å
27R94.8Very high94.3Very high198 Ų19876.3 Ų76.375%0.74736%0.358SS*.  trans-86.810.6177.3-59.2-179.580.9-179.55113.1F16F16-R27 HydrophobicContact CB-CB 4.48Å; F16-R27 PolarHBondContact O-N 3.04Å
28D93.7Very high94.2Very high7 Ų777.3 Ų77.34%0.03736%0.361CS..  trans-54.4126.2-179.8172.19.6000111.2F16 S26 L30 N31 G42 L43F16-D28 HydrophobicContact CB-CB 4.47Å; F16-D28 HydrophobicContact CG-CB 4.44Å; S26-D28 PolarHBondContact O-N 2.69Å; S26-D28 PolarHBondContact OG-N 3.21Å; D28-L30 PolarHBondContact O-N 2.62Å; D28-L30 VanDerWaalsContact O-N 3.11Å; D28-L30 PolarHBondContact OD1-N 3.28Å; D28-N31 HydrophobicContact CB-CB 4.03Å; D28-N31 WeakPolarHBondContact O-CB 3.37Å; D28-N31 PolarHBondContact O-N 2.98Å; D28-N31 VanDerWaalsContact O-N 3.08Å; D28-G42 VanDerWaalsContact OD2-CA 3.29Å; D28-G42 WeakPolarHBondContact OD2-CA 3.39Å; D28-G42 PolarHBondContact OD2-N 3.48Å; D28-L43 PolarHBondContact OD2-N 3.43Å
29P93.2Very high94.2Very high49 Ų4979.4 Ų79.432%0.31837%0.365SS..THydrogen-bonded Turntrans-57.5-23.2177.325.3-37.8000114.8K52P29-K52 VanDerWaalsContact CB-CE 3.42Å
30L96Very high94.3Very high14 Ų1474 Ų747%0.07334%0.341CS..THydrogen-bonded Turntrans-98.715-179.1-66.4176000113.1D28 A48 I63 K65D28-L30 PolarHBondContact O-N 2.62Å; D28-L30 VanDerWaalsContact O-N 3.11Å; D28-L30 PolarHBondContact OD1-N 3.28Å; L30-A48 HydrophobicContact CB-CB 3.99Å; L30-A48 HydrophobicContact CD1-CB 4.14Å; L30-A48 HydrophobicContact CG-CB 4.46Å; L30-I63 HydrophobicContact CD2-CB 4Å; L30-I63 HydrophobicContact CD2-CG2 3.51Å; L30-K65 HydrophobicContact CD1-CD 4.14Å; L30-K65 VanDerWaalsContact CD1-CE 3.5Å; L30-K65 HydrophobicContact CD1-CG 3.9Å
31N95.9Very high94.5Very high8 Ų865.3 Ų65.34%0.04331%0.308CS..  trans-107112.8175.4-173-22.6000111.7D28 K33 G34 K35 Y40D28-N31 HydrophobicContact CB-CB 4.03Å; D28-N31 WeakPolarHBondContact O-CB 3.37Å; D28-N31 PolarHBondContact O-N 2.98Å; D28-N31 VanDerWaalsContact O-N 3.08Å; N31-K33 PolarHBondContact OD1-N 2.95Å; N31-K33 VanDerWaalsContact OD1-N 3.08Å; N31-G34 PolarHBondContact OD1-N 3.32Å; N31-K35 PolarHBondContact ND2-O 2.91Å; N31-Y40 WeakPolarHBondContact CA-O 3.43Å; N31-Y40 WeakPolarHBondContact OD1-CB 3.24Å
32L95.4Very high94.7Very high6 Ų661.4 Ų61.43%0.03127%0.268CS..SBendtrans-70.8-35.4-178.2-63.7175.3000113.9I49 I51 L106 L109 A110 R113L32-I49 HydrophobicContact CD1-CB 4.37Å; L32-I49 HydrophobicContact CD1-CG2 4.42Å; L32-I49 HydrophobicContact CD2-CG2 4.32Å; L32-I49 VanDerWaalsContact CD2-O 3.32Å; L32-I49 WeakPolarHBondContact CD2-O 3.21Å; L32-I49 VanDerWaalsContact CG-O 3.27Å; L32-I49 WeakPolarHBondContact CG-O 3.48Å; L32-I51 HydrophobicContact CD2-CB 4.11Å; L32-I51 HydrophobicContact CD2-CD1 3.99Å; L32-I51 HydrophobicContact CD2-CG1 3.74Å; L32-L106 HydrophobicContact CD1-CB 4.04Å; L32-L106 HydrophobicContact CD1-CD1 4.05Å; L32-L109 HydrophobicContact CB-CB 4.33Å; L32-L109 HydrophobicContact CB-CD2 3.89Å; L32-L109 HydrophobicContact CD1-CB 4.09Å; L32-A110 HydrophobicContact CD1-CB 3.97Å; L32-R113 WeakPolarHBondContact O-CD 3.43Å
33K94.4Very high94.8Very high100 Ų10052.5 Ų52.544%0.43524%0.24SC..SBendtrans-92.5-20.2-174.9-158.2173-177.4179.30112.4N31 K35 Y40 L109N31-K33 PolarHBondContact OD1-N 2.95Å; N31-K33 VanDerWaalsContact OD1-N 3.08Å; K33-K35 HydrophobicContact CD-CG 4.42Å; K33-K35 HydrophobicContact CG-CG 4.3Å; K33-K35 PolarHBondContact O-N 3.47Å; K33-Y40 HydrophobicContact CB-CD2 3.91Å; K33-Y40 HydrophobicContact CB-CE2 4.15Å; K33-Y40 HydrophobicContact CB-CG 4.17Å; K33-Y40 HydrophobicContact CD-CD2 4.06Å; K33-Y40 HydrophobicContact CD-CE2 3.44Å; K33-Y40 VanDerWaalsContact CD-CE2 3.44Å; K33-Y40 HydrophobicContact CG-CE2 4.38Å; K33-L109 HydrophobicContact CB-CD2 3.62Å; K33-L109 HydrophobicContact CD-CD2 4.43Å; K33-L109 HydrophobicContact CG-CD2 3.97Å
34G93.9Very high94.9Very high18 Ų1848.6 Ų48.619%0.18622%0.222CC..  trans70.52.1-173.700000114.3F25 S26 N31F25-G34 CarbonylContact C-O 3.47Å; F25-G34 VanDerWaalsContact CA-O 3.23Å; F25-G34 WeakPolarHBondContact CA-O 3.38Å; F25-G34 WeakPolarHBondContact CB-O 3.35Å; F25-G34 WeakPolarHBondContact CD1-O 3.26Å; S26-G34 PolarHBondContact N-O 3.49Å; N31-G34 PolarHBondContact OD1-N 3.32Å
35K95Very high94.9Very high72 Ų7244.1 Ų44.131%0.31321%0.207SC..BIsolated β-bridgetrans-83.6139.9173.1-68.5-157.3175.3-157.70110.2E23 F25 N31 K33 C37E23-K35 IonicContact OE1-NZ 2.93Å; E23-K35 PolarHBondContact OE1-NZ 3.31Å; E23-K35 IonicContact OE2-NZ 3.33Å; F25-K35 HydrophobicContact CD1-CG 4.38Å; F25-K35 HydrophobicContact CE1-CG 4.37Å; N31-K35 PolarHBondContact ND2-O 2.91Å; K33-K35 HydrophobicContact CD-CG 4.42Å; K33-K35 HydrophobicContact CG-CG 4.3Å; K33-K35 PolarHBondContact O-N 3.47Å; K35-C37 PolarHBondContact O-N 2.9Å; K35-C37 VanDerWaalsContact O-N 3.08Å
36N95.5Very high94.8Very high21 Ų2146.6 Ų46.611%0.11222%0.217CC..  trans-76.195.1172.4-175.635.2000109.3W7 K11 H14 L17 R24W7-N36 VanDerWaalsContact CH2-OD1 3.26Å; W7-N36 WeakPolarHBondContact CH2-OD1 3.48Å; W7-N36 WeakPolarHBondContact CZ3-OD1 3.48Å; K11-N36 PolarHBondContact O-ND2 3.3Å; H14-N36 PolarHBondContact CE1-OD1 3.4Å; L17-N36 HydrophobicContact CD1-CB 3.99Å; L17-N36 VanDerWaalsContact CD1-ND2 3.31Å; L17-N36 WeakPolarHBondContact CD1-ND2 3.24Å; R24-N36 HydrophobicContact CB-CB 3.92Å; R24-N36 WeakPolarHBondContact O-CB 3.32Å; R24-N36 PolarHBondContact O-N 2.98Å
37C94.8Very high94.8Very high50 Ų5050.3 Ų50.334%0.33823%0.233SC..  trans-149.1142.3-178177.30000109K35 R39 Y40 C41K35-C37 PolarHBondContact O-N 2.9Å; K35-C37 VanDerWaalsContact O-N 3.08Å; C37-R39 PolarHBondContact O-N 3.28Å; C37-R39 VanDerWaalsContact O-N 3.15Å; C37-Y40 HydrophobicContact CB-CD2 3.9Å; C37-Y40 HydrophobicContact CB-CE2 4.39Å; C37-Y40 PolarHBondContact O-N 3.22Å; C37-C41 PolarHBondContact O-N 3.44Å; C37-C41 VanDerWaalsContact O-N 3.07Å
38F95.8Very high94.8Very high52 Ų5240.9 Ų40.923%0.22820%0.197CC..THydrogen-bonded Turntrans-46.5-48.1178.8178.4-111.8000112.1H4 W7 Y40 V44 H45H4-F38 AromaticContact CE1-CE1 3.71Å; H4-F38 AromaticContact CE1-CZ 3.5Å; H4-F38 VanDerWaalsContact CE1-CZ 3.5Å; H4-F38 WeakPolarHBondContact CE1-CZ 3.23Å; H4-F38 AromaticContact ND1-CZ 3.79Å; H4-F38 AromaticContact NE2-CZ 3.63Å; W7-F38 HydrophobicContact CB-CD2 3.56Å; W7-F38 HydrophobicContact CB-CE2 3.86Å; W7-F38 AromaticContact CD1-CD2 3.78Å; W7-F38 HydrophobicContact CD2-CB 4.05Å; W7-F38 AromaticContact CD2-CD2 3.96Å; W7-F38 HydrophobicContact CD2-CD2 3.96Å; W7-F38 HydrophobicContact CG-CB 4.23Å; W7-F38 AromaticContact CG-CD2 3.46Å; W7-F38 HydrophobicContact CG-CD2 3.46Å; W7-F38 VanDerWaalsContact CG-CD2 3.46Å; W7-F38 HydrophobicContact CG-CE2 4.24Å; W7-F38 HydrophobicContact CG-CG 4.29Å; W7-F38 HydrophobicContact CZ2-CB 4.26Å; F38-Y40 VanDerWaalsContact C-N 3.28Å; F38-Y40 PolarHBondContact O-N 3.02Å; F38-V44 HydrophobicContact CD2-CG1 4.01Å; F38-V44 HydrophobicContact CE2-CG1 3.62Å; F38-H45 AromaticContact CE1-CE1 3.78Å; F38-H45 AromaticContact CZ-CE1 3.64Å; F38-H45 PolarHBondContact O-CD2 2.84Å; F38-H45 PolarHBondContact O-NE2 2.78Å
39R95.3Very high95Very high113 Ų11340.6 Ų40.643%0.42620%0.195SC..THydrogen-bonded Turntrans-60-33.3-176.9-176.1173.1174.8173.8-4.4113.7C37 R103 E105C37-R39 PolarHBondContact O-N 3.28Å; C37-R39 VanDerWaalsContact O-N 3.15Å; R39-R103 PolarHBondContact O-NH2 3.4Å; R39-E105 PolarHBondContact NH2-O 3.38Å
40Y95.7Very high95.1Very high34 Ų3438.3 Ų38.313%0.13318%0.181CC..THydrogen-bonded Turntrans-105-12.4-171.3-49.7-48.7000114N31 K33 C37 F38 G42 L106 L109N31-Y40 WeakPolarHBondContact CA-O 3.43Å; N31-Y40 WeakPolarHBondContact OD1-CB 3.24Å; K33-Y40 HydrophobicContact CB-CD2 3.91Å; K33-Y40 HydrophobicContact CB-CE2 4.15Å; K33-Y40 HydrophobicContact CB-CG 4.17Å; K33-Y40 HydrophobicContact CD-CD2 4.06Å; K33-Y40 HydrophobicContact CD-CE2 3.44Å; K33-Y40 VanDerWaalsContact CD-CE2 3.44Å; K33-Y40 HydrophobicContact CG-CE2 4.38Å; C37-Y40 HydrophobicContact CB-CD2 3.9Å; C37-Y40 HydrophobicContact CB-CE2 4.39Å; C37-Y40 PolarHBondContact O-N 3.22Å; F38-Y40 VanDerWaalsContact C-N 3.28Å; F38-Y40 PolarHBondContact O-N 3.02Å; Y40-G42 PolarHBondContact O-N 2.9Å; Y40-L106 HydrophobicContact CD1-CD2 3.84Å; Y40-L106 HydrophobicContact CE1-CD2 4.02Å; Y40-L109 HydrophobicContact CD1-CD1 4.23Å; Y40-L109 HydrophobicContact CE1-CD1 3.54Å
41C95.5Very high95.1Very high1 Ų137.8 Ų37.81%0.00718%0.178CC..  trans-67.6120.4-179-170.80000111.1W7 C37 V44 H45W7-C41 HydrophobicContact CE3-CB 4.46Å; W7-C41 HydrophobicContact CZ3-CB 4.15Å; C37-C41 PolarHBondContact O-N 3.44Å; C37-C41 VanDerWaalsContact O-N 3.07Å; C41-V44 HydrophobicContact CB-CB 4.36Å; C41-V44 HydrophobicContact CB-CG2 4.04Å; C41-H45 PolarHBondContact O-CD2 2.92Å; C41-H45 VanDerWaalsContact O-CD2 3.24Å
42G94.1Very high95.1Very high0 Ų041.6 Ų41.60%019%0.194CC..THydrogen-bonded Turntrans-79.8-24.3-179.800000113.2D28 Y40 K65D28-G42 VanDerWaalsContact OD2-CA 3.29Å; D28-G42 WeakPolarHBondContact OD2-CA 3.39Å; D28-G42 PolarHBondContact OD2-N 3.48Å; Y40-G42 PolarHBondContact O-N 2.9Å; G42-K65 WeakPolarHBondContact O-CE 3.44Å; G42-K65 PolarHBondContact O-NZ 3.11Å
43L92.5Very high94.9Very high72 Ų7246.2 Ų46.238%0.37722%0.215SC..THydrogen-bonded Turntrans-63.6-40.9176.4-61.7176.5000112.4I10 F16 D28I10-L43 HydrophobicContact CD1-CB 3.99Å; I10-L43 HydrophobicContact CD1-CD1 4.27Å; F16-L43 HydrophobicContact CD2-CD1 3.75Å; F16-L43 HydrophobicContact CE2-CD1 3.9Å; F16-L43 HydrophobicContact CE2-CD2 4.26Å; D28-L43 PolarHBondContact OD2-N 3.43Å
44V95.1Very high94.8Very high10 Ų1042.1 Ų42.16%0.06120%0.198CC..THydrogen-bonded Turntrans-73.5-42.5-175.4173.60000112.9S3 V6 W7 I10 F38 C41S3-V44 WeakPolarHBondContact O-CG1 3.29Å; V6-V44 HydrophobicContact CG1-CG2 4.28Å; W7-V44 HydrophobicContact CB-CG1 4.17Å; W7-V44 HydrophobicContact CB-CG2 4.04Å; W7-V44 HydrophobicContact CE3-CG2 3.84Å; I10-V44 HydrophobicContact CD1-CG2 3.65Å; I10-V44 HydrophobicContact CG1-CG2 4.24Å; F38-V44 HydrophobicContact CD2-CG1 4.01Å; F38-V44 HydrophobicContact CE2-CG1 3.62Å; C41-V44 HydrophobicContact CB-CB 4.36Å; C41-V44 HydrophobicContact CB-CG2 4.04Å
45H94.9Very high94.3Very high34 Ų3450 Ų5016%0.15723%0.227CC..  trans-89.5137.8-171.2-68-64.7000111.9F38 C41 K47 K65F38-H45 AromaticContact CE1-CE1 3.78Å; F38-H45 AromaticContact CZ-CE1 3.64Å; F38-H45 PolarHBondContact O-CD2 2.84Å; F38-H45 PolarHBondContact O-NE2 2.78Å; C41-H45 PolarHBondContact O-CD2 2.92Å; C41-H45 VanDerWaalsContact O-CD2 3.24Å; H45-K47 VanDerWaalsContact CB-O 3.22Å; H45-K47 WeakPolarHBondContact CB-O 3.38Å; H45-K47 PolarHBondContact O-N 2.76Å; H45-K65 WeakPolarHBondContact O-CD 2.88Å; H45-K65 PolarHBondContact O-NZ 3.34Å
46K94.1Very high93.6Very high113 Ų11355 Ų5549%0.49125%0.245SC..SBendtrans-61-31.5171-64.4-176178.5-179.70112.5K65 V67K46-K65 VanDerWaalsContact O-CB 3.24Å; K46-K65 WeakPolarHBondContact O-CB 3.13Å; K46-V67 HydrophobicContact CB-CG1 4.39Å; K46-V67 HydrophobicContact CD-CG1 4.36Å
47K95.3Very high92.7Very high85 Ų8556.1 Ų56.137%0.3726%0.261SS..SBendtrans-107.4124.7172.5-67.3-176.1-177.9174.90109.1H45 V67 Y102 R103H45-K47 VanDerWaalsContact CB-O 3.22Å; H45-K47 WeakPolarHBondContact CB-O 3.38Å; H45-K47 PolarHBondContact O-N 2.76Å; K47-V67 HydrophobicContact CD-CG2 4.22Å; K47-V67 HydrophobicContact CG-CG2 3.48Å; K47-V67 VanDerWaalsContact CG-CG2 3.48Å; K47-Y102 WeakPolarHBondContact CA-OH 3.14Å; K47-Y102 HydrophobicContact CB-CD1 4.41Å; K47-Y102 HydrophobicContact CB-CE1 3.75Å; K47-Y102 HydrophobicContact CB-CE2 4.22Å; K47-Y102 HydrophobicContact CD-CD2 4.01Å; K47-Y102 HydrophobicContact CD-CE2 3.95Å; K47-Y102 HydrophobicContact CD-CG 4.34Å; K47-Y102 WeakPolarHBondContact CD-O 3.22Å; K47-Y102 HydrophobicContact CG-CD2 4.4Å; K47-Y102 HydrophobicContact CG-CE1 4.27Å; K47-Y102 HydrophobicContact CG-CE2 3.83Å; K47-R103 HydrophobicContact CB-CG 3.95Å; K47-R103 WeakPolarHBondContact O-CD 3.42Å; K47-R103 PolarHBondContact O-NH1 2.73Å
48A95.7Very high92.1Very high0 Ų061.1 Ų61.10%028%0.278CS..  trans-143151.9175.600000110L30 T64 K65 Y102L30-A48 HydrophobicContact CB-CB 3.99Å; L30-A48 HydrophobicContact CD1-CB 4.14Å; L30-A48 HydrophobicContact CG-CB 4.46Å; A48-T64 WeakPolarHBondContact O-CA 3.22Å; A48-K65 HydrophobicContact CB-CD 4.02Å; A48-K65 HydrophobicContact CB-CG 4.12Å; A48-K65 PolarHBondContact O-N 3.48Å; A48-Y102 PolarHBondContact N-OH 2.81Å; A48-Y102 PolarHBondContact O-OH 3.03Å
49I96.5Very high91.8Very high1 Ų159.4 Ų59.41%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-125.2120.2177.2-57.8176.2000107.1L32 I51 V62 I63 T64 T97 Y102 R103L32-I49 HydrophobicContact CD1-CB 4.37Å; L32-I49 HydrophobicContact CD1-CG2 4.42Å; L32-I49 HydrophobicContact CD2-CG2 4.32Å; L32-I49 VanDerWaalsContact CD2-O 3.32Å; L32-I49 WeakPolarHBondContact CD2-O 3.21Å; L32-I49 VanDerWaalsContact CG-O 3.27Å; L32-I49 WeakPolarHBondContact CG-O 3.48Å; I49-I51 HydrophobicContact CG2-CG1 4.23Å; I49-V62 HydrophobicContact CG2-CG1 4.25Å; I49-I63 CarbonylContact C-O 3.49Å; I49-I63 WeakPolarHBondContact CA-O 3.36Å; I49-T64 HydrophobicContact CG1-CG2 4.47Å; I49-T97 HydrophobicContact CD1-CG2 4.08Å; I49-Y102 HydrophobicContact CD1-CD1 3.99Å; I49-Y102 HydrophobicContact CD1-CE1 4.45Å; I49-Y102 HydrophobicContact CG1-CD1 3.89Å; I49-Y102 HydrophobicContact CG1-CE1 3.83Å; I49-R103 HydrophobicContact CD1-CB 4.14Å
50G96.7Very high91.7Very high1 Ų154 Ų541%0.0125%0.254CS..EExtended strand (participates in β ladder)trans-108.6146.8166.500000110.1I63G50-I63 PolarHBondContact N-O 3.46Å; G50-I63 PolarHBondContact O-N 3.46Å
51I96.2Very high91.7Very high2 Ų253 Ų531%0.0125%0.251CS..EExtended strand (participates in β ladder)trans-132.5120174.8-60.5-179.1000107.5L32 I49 V60 V61 V62 I93 A110 R113 A114 L117L32-I51 HydrophobicContact CD2-CB 4.11Å; L32-I51 HydrophobicContact CD2-CD1 3.99Å; L32-I51 HydrophobicContact CD2-CG1 3.74Å; I49-I51 HydrophobicContact CG2-CG1 4.23Å; I51-V60 HydrophobicContact CG2-CG1 3.22Å; I51-V61 WeakPolarHBondContact CA-O 3.42Å; I51-V62 HydrophobicContact CG1-CG2 4.31Å; I51-I93 HydrophobicContact CD1-CD1 4.41Å; I51-I93 HydrophobicContact CD1-CG2 4.42Å; I51-A110 HydrophobicContact CD1-CB 3.78Å; I51-A110 WeakPolarHBondContact CD1-O 3.32Å; I51-R113 HydrophobicContact CB-CG 4.28Å; I51-R113 PolarHBondContact O-NE 2.93Å; I51-A114 HydrophobicContact CD1-CB 4.21Å; I51-A114 HydrophobicContact CG2-CB 4.1Å; I51-L117 HydrophobicContact CG2-CD1 3.91Å
52K94Very high91.7Very high89 Ų8952.9 Ų52.939%0.38725%0.251SS..EExtended strand (participates in β ladder)trans-132161.1-176.3-69.3-162.9173.4-165.20111P29 V60 V61 I63P29-K52 VanDerWaalsContact CB-CE 3.42Å; K52-V60 WeakPolarHBondContact O-CG1 3.27Å; K52-V61 PolarHBondContact N-O 3.02Å; K52-V61 PolarHBondContact O-N 2.77Å; K52-I63 HydrophobicContact CD-CD1 3.95Å; K52-I63 HydrophobicContact CG-CD1 4.08Å
53E92.7Very high91.8Very high102 Ų10253.1 Ų53.148%0.47725%0.252SS..EExtended strand (participates in β ladder)trans-67.2144.4171.3-61.8-178.1176.300110.2L117 M121E53-L117 HydrophobicContact CG-CB 4.34Å; E53-L117 HydrophobicContact CG-CD1 4.21Å; E53-L117 HydrophobicContact CG-CD2 3.79Å; E53-L117 HydrophobicContact CG-CG 4.32Å; E53-L117 WeakPolarHBondContact OE1-CD2 3.1Å; E53-M121 HydrophobicContact CB-CE 3.55Å; E53-M121 HydrophobicContact CG-CE 3.77Å
54E91Very high92Very high15 Ų1550.4 Ų50.47%0.0724%0.238CC..  trans-71.5144168.7-176.663.7-14000110Y56 G57 G59 V61 K81E54-Y56 PolarHBondContact O-N 2.88Å; E54-Y56 VanDerWaalsContact O-N 3.1Å; E54-G57 PolarHBondContact O-N 3.08Å; E54-G59 PolarHBondContact N-O 3.08Å; E54-G59 VanDerWaalsContact N-O 3.14Å; E54-V61 HydrophobicContact CB-CG2 4.24Å; E54-V61 WeakPolarHBondContact OE2-CG2 3.23Å; E54-K81 WeakPolarHBondContact OE1-CD 3.45Å; E54-K81 VanDerWaalsContact OE1-CE 3.24Å; E54-K81 WeakPolarHBondContact OE1-CE 3.43Å; E54-K81 IonicContact OE1-NZ 2.79Å; E54-K81 PolarHBondContact OE1-NZ 2.86Å; E54-K81 WeakPolarHBondContact OE2-CD 3.43Å; E54-K81 VanDerWaalsContact OE2-CG 3.22Å; E54-K81 WeakPolarHBondContact OE2-CG 3.37Å; E54-K81 IonicContact OE2-NZ 3.74Å
55K83.9Confident92Very high184 Ų18451 Ų5180%0.824%0.24SC*.THydrogen-bonded Turntrans-54.7-33.9-176.5-173.3178.6178.3-174.20113.2G57K55-G57 VanDerWaalsContact C-N 3.32Å; K55-G57 PolarHBondContact O-N 2.9Å
56Y81.2Confident92Very high176 Ų17651.7 Ų51.769%0.6925%0.245SC*.THydrogen-bonded Turntrans-92.517.5-177.5-57.6-70.4000113.6E54 K58E54-Y56 PolarHBondContact O-N 2.88Å; E54-Y56 VanDerWaalsContact O-N 3.1Å; Y56-K58 PolarHBondContact O-N 2.89Å
57G75.3Confident92Very high44 Ų4449.4 Ų49.445%0.45424%0.241SC..SBendtrans69.1-8.7175.900000115.6E54 K55 M121E54-G57 PolarHBondContact O-N 3.08Å; K55-G57 VanDerWaalsContact C-N 3.32Å; K55-G57 PolarHBondContact O-N 2.9Å; G57-M121 WeakPolarHBondContact O-CE 3.32Å; G57-M121 VanDerWaalsContact O-SD 3.35Å
58K82.1Confident91.9Very high155 Ų15549.5 Ų49.567%0.67426%0.257SS*.SBendtrans-99.494.2179.1-64.7-175.3-176.9179.50110.5Y56 V83Y56-K58 PolarHBondContact O-N 2.89Å; K58-V83 HydrophobicContact CB-CG1 3.98Å
59G89.1Confident91.9Very high16 Ų1654.2 Ų54.217%0.16528%0.278CS..SBendtrans94.6-162.3168.600000115E54 F82 M121E54-G59 PolarHBondContact N-O 3.08Å; E54-G59 VanDerWaalsContact N-O 3.14Å; G59-F82 WeakPolarHBondContact CA-O 3.2Å; G59-M121 WeakPolarHBondContact O-CE 3.38Å
60V94.7Very high91.6Very high0 Ų057.4 Ų57.40%030%0.295CS..EExtended strand (participates in β ladder)trans-130.4137.2-164.5177.90000111.1I51 K52 F82 L117 M118I51-V60 HydrophobicContact CG2-CG1 3.22Å; K52-V60 WeakPolarHBondContact O-CG1 3.27Å; V60-F82 PolarHBondContact N-O 3.41Å; V60-F82 PolarHBondContact O-N 2.85Å; V60-L117 HydrophobicContact CG1-CD1 4.49Å; V60-L117 HydrophobicContact CG2-CB 4.29Å; V60-M118 HydrophobicContact CB-CE 3.96Å; V60-M118 HydrophobicContact CG2-CE 3.52Å; V60-M118 HydrophobicContact CG2-CG 3.65Å; V60-M118 HydrophobicContact CG2-SD 4.49Å
61V95.5Very high91.4Very high12 Ų1264.1 Ų64.17%0.07333%0.326CS..EExtended strand (participates in β ladder)trans-95124.3170.4-175.60000109.4I51 K52 E54 I63 R79 T80 K81I51-V61 WeakPolarHBondContact CA-O 3.42Å; K52-V61 PolarHBondContact N-O 3.02Å; K52-V61 PolarHBondContact O-N 2.77Å; E54-V61 HydrophobicContact CB-CG2 4.24Å; E54-V61 WeakPolarHBondContact OE2-CG2 3.23Å; V61-I63 HydrophobicContact CG1-CG1 3.91Å; V61-R79 HydrophobicContact CG1-CB 4.02Å; V61-R79 HydrophobicContact CG1-CG 4.47Å; V61-T80 WeakPolarHBondContact CA-O 3.3Å; V61-K81 HydrophobicContact CG2-CG 4.42Å
62V95.7Very high91.3Very high0 Ų069.4 Ų69.40%035%0.348CS..EExtended strand (participates in β ladder)trans-99.7124.5167.5-179.30000108.8I49 I51 T64 T80 F82 I93 L96I49-V62 HydrophobicContact CG2-CG1 4.25Å; I51-V62 HydrophobicContact CG1-CG2 4.31Å; V62-T64 HydrophobicContact CG1-CG2 4.26Å; V62-T80 PolarHBondContact N-O 3.11Å; V62-T80 PolarHBondContact O-N 2.86Å; V62-T80 PolarHBondContact O-OG1 2.93Å; V62-T80 VanDerWaalsContact O-OG1 3.08Å; V62-F82 HydrophobicContact CB-CD2 4.4Å; V62-F82 HydrophobicContact CB-CE2 3.86Å; V62-F82 HydrophobicContact CG2-CD2 3.74Å; V62-F82 HydrophobicContact CG2-CE2 3.5Å; V62-I93 HydrophobicContact CG2-CD1 3.89Å; V62-I93 HydrophobicContact CG2-CG1 3.82Å; V62-L96 HydrophobicContact CG1-CD2 3.64Å
63I96.2Very high91.2Very high4 Ų470.4 Ų70.42%0.02136%0.364CS..EExtended strand (participates in β ladder)trans-107.3125.7-177.5-51.1-178.2000107.2L30 I49 G50 K52 V61 V77 T78 R79L30-I63 HydrophobicContact CD2-CB 4Å; L30-I63 HydrophobicContact CD2-CG2 3.51Å; I49-I63 CarbonylContact C-O 3.49Å; I49-I63 WeakPolarHBondContact CA-O 3.36Å; G50-I63 PolarHBondContact N-O 3.46Å; G50-I63 PolarHBondContact O-N 3.46Å; K52-I63 HydrophobicContact CD-CD1 3.95Å; K52-I63 HydrophobicContact CG-CD1 4.08Å; V61-I63 HydrophobicContact CG1-CG1 3.91Å; I63-V77 HydrophobicContact CG2-CG1 3.17Å; I63-T78 CarbonylContact C-O 3.48Å; I63-T78 WeakPolarHBondContact CA-O 3.35Å; I63-R79 HydrophobicContact CG1-CG 4.31Å; I63-R79 HydrophobicContact CG2-CG 4.37Å
64T96.2Very high91.3Very high15 Ų1570.2 Ų70.29%0.09238%0.38CS..EExtended strand (participates in β ladder)trans-128.4154.1176.453.80000111.3A48 I49 V62 V77 T78 L96 Y102A48-T64 WeakPolarHBondContact O-CA 3.22Å; I49-T64 HydrophobicContact CG1-CG2 4.47Å; V62-T64 HydrophobicContact CG1-CG2 4.26Å; T64-V77 WeakPolarHBondContact O-CA 3.39Å; T64-T78 PolarHBondContact N-O 2.8Å; T64-T78 PolarHBondContact O-N 3.45Å; T64-L96 HydrophobicContact CG2-CD2 3.98Å; T64-Y102 HydrophobicContact CG2-CE1 4.48Å
65K95.9Very high91.5Very high23 Ų2376 Ų7610%0.141%0.405CS..EExtended strand (participates in β ladder)trans-90.4141.2172.6-77.7-170.3168.5-172.30112.4L30 G42 H45 K46 A48 A76 Y102L30-K65 HydrophobicContact CD1-CD 4.14Å; L30-K65 VanDerWaalsContact CD1-CE 3.5Å; L30-K65 HydrophobicContact CD1-CG 3.9Å; G42-K65 WeakPolarHBondContact O-CE 3.44Å; G42-K65 PolarHBondContact O-NZ 3.11Å; H45-K65 WeakPolarHBondContact O-CD 2.88Å; H45-K65 PolarHBondContact O-NZ 3.34Å; K46-K65 VanDerWaalsContact O-CB 3.24Å; K46-K65 WeakPolarHBondContact O-CB 3.13Å; A48-K65 HydrophobicContact CB-CD 4.02Å; A48-K65 HydrophobicContact CB-CG 4.12Å; A48-K65 PolarHBondContact O-N 3.48Å; K65-A76 CarbonylContact C-O 3.54Å; K65-A76 VanDerWaalsContact CA-O 3.29Å; K65-A76 WeakPolarHBondContact CA-O 3.48Å; K65-Y102 PolarHBondContact N-OH 3.2Å; K65-Y102 VanDerWaalsContact N-OH 3.12Å; K65-Y102 PolarHBondContact O-OH 2.88Å
66N94.9Very high92.1Very high48 Ų4867.5 Ų67.526%0.25737%0.369SS..  trans-92.2109.6172.8-67.8-30.7000109.5A68 K69 D70 K75 A76 T78N66-A68 VanDerWaalsContact C-N 3.28Å; N66-A68 PolarHBondContact O-N 2.97Å; N66-K69 HydrophobicContact CB-CB 4.21Å; N66-K69 PolarHBondContact O-N 3.37Å; N66-D70 PolarHBondContact O-N 3.13Å; N66-K75 PolarHBondContact ND2-O 3.26Å; N66-K75 VanDerWaalsContact ND2-O 3.12Å; N66-A76 PolarHBondContact N-O 2.98Å; N66-T78 VanDerWaalsContact CG-OG1 3.24Å; N66-T78 PolarHBondContact ND2-OG1 3.1Å; N66-T78 PolarHBondContact OD1-OG1 3.49Å
67V93.5Very high92.7Very high66 Ų6661.7 Ų61.740%0.435%0.352SS..G310 helixtrans-59.3-38.9-176.6-176.70000112.2K46 K47 K69K46-V67 HydrophobicContact CB-CG1 4.39Å; K46-V67 HydrophobicContact CD-CG1 4.36Å; K47-V67 HydrophobicContact CD-CG2 4.22Å; K47-V67 HydrophobicContact CG-CG2 3.48Å; K47-V67 VanDerWaalsContact CG-CG2 3.48Å; V67-K69 PolarHBondContact O-N 3.26Å
68A93.9Very high93.7Very high87 Ų8762 Ų6272%0.71935%0.345SS*.G310 helixtrans-68.6-21.2-179.800000113.8N66N66-A68 VanDerWaalsContact C-N 3.28Å; N66-A68 PolarHBondContact O-N 2.97Å
69K94.1Very high94.3Very high99 Ų9963 Ų6343%0.4335%0.345SS..G310 helixtrans-116.821.8-173.2-58.2-177.9-175.11740112.3N66 V67 H71 K72 K75 A76N66-K69 HydrophobicContact CB-CB 4.21Å; N66-K69 PolarHBondContact O-N 3.37Å; V67-K69 PolarHBondContact O-N 3.26Å; K69-H71 PolarHBondContact O-N 3.36Å; K69-K72 CarbonylContact O-C 3.57Å; K69-K72 PolarHBondContact O-N 2.95Å; K69-K75 HydrophobicContact CD-CB 4Å; K69-A76 WeakPolarHBondContact O-CB 3.29Å
70D91.2Very high94.6Very high67 Ų6764.7 Ų64.736%0.35835%0.352SS..THydrogen-bonded Turntrans-59-35.5-176.4-167.850.1000112.6N66 K72N66-D70 PolarHBondContact O-N 3.13Å; D70-K72 PolarHBondContact O-N 3.47Å
71H91.6Very high94.6Very high143 Ų14370.8 Ų70.866%0.66238%0.378SS*.THydrogen-bonded Turntrans-74.5-5.8175.665.1-81.7000114.2K69 P73K69-H71 PolarHBondContact O-N 3.36Å; H71-P73 WeakPolarHBondContact O-CD 3.31Å
72K95.2Very high94.4Very high112 Ų11271.6 Ų71.649%0.48738%0.381SS..  trans-116.684.4179.9-62.4-172.2179.4-178.60109.4K69 D70 A74 K75 A76K69-K72 CarbonylContact O-C 3.57Å; K69-K72 PolarHBondContact O-N 2.95Å; D70-K72 PolarHBondContact O-N 3.47Å; K72-A74 VanDerWaalsContact C-N 3.27Å; K72-A74 PolarHBondContact O-N 3.35Å; K72-A74 VanDerWaalsContact O-N 3.11Å; K72-K75 HydrophobicContact CB-CB 4.41Å; K72-K75 CarbonylContact O-C 3.59Å; K72-K75 PolarHBondContact O-N 3.12Å; K72-A76 WeakPolarHBondContact O-CB 3.26Å; K72-A76 PolarHBondContact O-N 2.93Å
73P91.8Very high94.1Very high110 Ų11075.6 Ų75.671%0.71441%0.405SS*.THydrogen-bonded Turntrans-56-37.4-16919.9-32.3000113.7H71 K75 A76H71-P73 WeakPolarHBondContact O-CD 3.31Å; P73-K75 VanDerWaalsContact C-N 3.27Å; P73-K75 PolarHBondContact O-N 2.95Å; P73-A76 PolarHBondContact O-N 3.42Å
74A94.7Very high93.5Very high99 Ų9986.3 Ų86.382%0.81845%0.445SS*.THydrogen-bonded Turntrans-62-30.9176.900000113.7K72K72-A74 VanDerWaalsContact C-N 3.27Å; K72-A74 PolarHBondContact O-N 3.35Å; K72-A74 VanDerWaalsContact O-N 3.11Å
75K95.3Very high93Very high136 Ų13687 Ų8759%0.59146%0.456SS*.THydrogen-bonded Turntrans-109.1-3-178-61.2-178179.6179.20113.1N66 K69 K72 P73 V77N66-K75 PolarHBondContact ND2-O 3.26Å; N66-K75 VanDerWaalsContact ND2-O 3.12Å; K69-K75 HydrophobicContact CD-CB 4Å; K72-K75 HydrophobicContact CB-CB 4.41Å; K72-K75 CarbonylContact O-C 3.59Å; K72-K75 PolarHBondContact O-N 3.12Å; P73-K75 VanDerWaalsContact C-N 3.27Å; P73-K75 PolarHBondContact O-N 2.95Å; K75-V77 PolarHBondContact O-N 3.39Å
76A95.1Very high92.8Very high6 Ų691.9 Ų91.95%0.0547%0.473CS..SBendtrans-70.7-19.8-176.700000112.5K65 N66 K69 K72 P73K65-A76 CarbonylContact C-O 3.54Å; K65-A76 VanDerWaalsContact CA-O 3.29Å; K65-A76 WeakPolarHBondContact CA-O 3.48Å; N66-A76 PolarHBondContact N-O 2.98Å; K69-A76 WeakPolarHBondContact O-CB 3.29Å; K72-A76 WeakPolarHBondContact O-CB 3.26Å; K72-A76 PolarHBondContact O-N 2.93Å; P73-A76 PolarHBondContact O-N 3.42Å
77V95.6Very high92.7Very high54 Ų54100 Ų10033%0.32750%0.501SS..EExtended strand (participates in β ladder)trans-116.6125.9-173.1179.60000110.9I63 T64 K75 R79I63-V77 HydrophobicContact CG2-CG1 3.17Å; T64-V77 WeakPolarHBondContact O-CA 3.39Å; K75-V77 PolarHBondContact O-N 3.39Å; V77-R79 HydrophobicContact CG1-CG 4.44Å
78T95.6Very high92.8Very high51 Ų51100 Ų10031%0.31350%0.502SS..EExtended strand (participates in β ladder)trans-103.5133.6172.4-58.50000109.4I63 T64 N66 T80I63-T78 CarbonylContact C-O 3.48Å; I63-T78 WeakPolarHBondContact CA-O 3.35Å; T64-T78 PolarHBondContact N-O 2.8Å; T64-T78 PolarHBondContact O-N 3.45Å; N66-T78 VanDerWaalsContact CG-OG1 3.24Å; N66-T78 PolarHBondContact ND2-OG1 3.1Å; N66-T78 PolarHBondContact OD1-OG1 3.49Å; T78-T80 HydrophobicContact CG2-CG2 4.33Å
79R95.2Very high92.8Very high175 Ų17596.1 Ų96.166%0.6647%0.469SS*.EExtended strand (participates in β ladder)trans-114.5124.2176.8-61.4-175.8-178-144.45.3109.3V61 I63 V77V61-R79 HydrophobicContact CG1-CB 4.02Å; V61-R79 HydrophobicContact CG1-CG 4.47Å; I63-R79 HydrophobicContact CG1-CG 4.31Å; I63-R79 HydrophobicContact CG2-CG 4.37Å; V77-R79 HydrophobicContact CG1-CG 4.44Å
80T94.4Very high92.9Very high51 Ų5193.2 Ų93.231%0.31346%0.458SS..EExtended strand (participates in β ladder)trans-117.8125.5177.8530000109.6V61 V62 T78V61-T80 WeakPolarHBondContact CA-O 3.3Å; V62-T80 PolarHBondContact N-O 3.11Å; V62-T80 PolarHBondContact O-N 2.86Å; V62-T80 PolarHBondContact O-OG1 2.93Å; V62-T80 VanDerWaalsContact O-OG1 3.08Å; T78-T80 HydrophobicContact CG2-CG2 4.33Å
81K94Very high93.2Very high129 Ų12996.7 Ų96.756%0.56147%0.47SS*.EExtended strand (participates in β ladder)trans-95.3136.8-176.4-53.9-174.2173-160.20110.4E54 V61E54-K81 WeakPolarHBondContact OE1-CD 3.45Å; E54-K81 VanDerWaalsContact OE1-CE 3.24Å; E54-K81 WeakPolarHBondContact OE1-CE 3.43Å; E54-K81 IonicContact OE1-NZ 2.79Å; E54-K81 PolarHBondContact OE1-NZ 2.86Å; E54-K81 WeakPolarHBondContact OE2-CD 3.43Å; E54-K81 VanDerWaalsContact OE2-CG 3.22Å; E54-K81 WeakPolarHBondContact OE2-CG 3.37Å; E54-K81 IonicContact OE2-NZ 3.74Å; V61-K81 HydrophobicContact CG2-CG 4.42Å
82F92.6Very high93.4Very high29 Ų2994.5 Ų94.513%0.12746%0.458CS..EExtended strand (participates in β ladder)trans-126.8104.3175.3-61.1-62.6000110.9G59 V60 V62 T89 K92 I93G59-F82 WeakPolarHBondContact CA-O 3.2Å; V60-F82 PolarHBondContact N-O 3.41Å; V60-F82 PolarHBondContact O-N 2.85Å; V62-F82 HydrophobicContact CB-CD2 4.4Å; V62-F82 HydrophobicContact CB-CE2 3.86Å; V62-F82 HydrophobicContact CG2-CD2 3.74Å; V62-F82 HydrophobicContact CG2-CE2 3.5Å; F82-T89 HydrophobicContact CB-CG2 3.32Å; F82-T89 HydrophobicContact CD2-CG2 3.82Å; F82-T89 HydrophobicContact CG-CG2 3.67Å; F82-K92 HydrophobicContact CD1-CD 3.76Å; F82-K92 HydrophobicContact CE1-CB 3.96Å; F82-K92 HydrophobicContact CE1-CD 3.36Å; F82-K92 HydrophobicContact CE1-CG 4.3Å; F82-K92 HydrophobicContact CZ-CB 4.07Å; F82-K92 HydrophobicContact CZ-CD 4.26Å; F82-I93 HydrophobicContact CE2-CG1 4.43Å
83V88.8Confident93.5Very high84 Ų8489.2 Ų89.251%0.50944%0.435SS..  trans-109.7-21.7-173.5-171.70000112.8K58 G85K58-V83 HydrophobicContact CB-CG1 3.98Å; V83-G85 PolarHBondContact O-N 3.42Å
84R83.1Confident93.7Very high229 Ų22990.5 Ų90.586%0.86443%0.426SS*.SBendtrans-68.9-24.2-166.6-70-175-178.3166.20.5116.3
85G86.9Confident93.8Very high30 Ų3088 Ų8831%0.30940%0.399SS..  trans151.6167.1-179.700000115.1V83 P88 T89V83-G85 PolarHBondContact O-N 3.42Å; G85-P88 WeakPolarHBondContact O-CG 3.49Å; G85-T89 VanDerWaalsContact O-CB 3.24Å; G85-T89 WeakPolarHBondContact O-CB 3.36Å; G85-T89 PolarHBondContact O-N 3.13Å; G85-T89 PolarHBondContact O-OG1 3.32Å
86R90.8Very high93.8Very high125 Ų12582.8 Ų82.847%0.47238%0.377SS..Hα-helixtrans-65.5-59.1-168.4-171.9172.780.6169.84.4113.8T89 L90 M118R86-T89 PolarHBondContact O-N 2.83Å; R86-L90 HydrophobicContact CG-CD1 4Å; R86-L90 WeakPolarHBondContact O-CG 3.41Å; R86-L90 PolarHBondContact O-N 2.79Å; R86-M118 HydrophobicContact CB-SD 4.02Å; R86-M118 HydrophobicContact CG-SD 3.67Å
87R94.1Very high93.8Very high219 Ų21982.5 Ų82.583%0.82638%0.375SS*.Hα-helixtrans-58.8-50-177.4-171.1177.4174.9133.7-3.1113.3T89 L90 K91R87-T89 VanDerWaalsContact C-N 3.3Å; R87-T89 PolarHBondContact O-N 3.07Å; R87-L90 PolarHBondContact O-N 2.79Å; R87-K91 PolarHBondContact O-N 3.08Å
88P94.6Very high93.7Very high65 Ų6581.9 Ų81.942%0.42237%0.373SS..Hα-helixtrans-64.5-35.6178.623.6-32.7000112.1G85 K91 K92G85-P88 WeakPolarHBondContact O-CG 3.49Å; P88-K91 PolarHBondContact O-N 2.84Å; P88-K92 WeakPolarHBondContact O-CG 2.96Å; P88-K92 PolarHBondContact O-N 2.83Å
89T95.1Very high93.6Very high5 Ų587 Ų873%0.03139%0.391CS..Hα-helixtrans-64.8-48.3177.2-56.80000111.7F82 G85 R86 R87 K91 K92 I93 M118F82-T89 HydrophobicContact CB-CG2 3.32Å; F82-T89 HydrophobicContact CD2-CG2 3.82Å; F82-T89 HydrophobicContact CG-CG2 3.67Å; G85-T89 VanDerWaalsContact O-CB 3.24Å; G85-T89 WeakPolarHBondContact O-CB 3.36Å; G85-T89 PolarHBondContact O-N 3.13Å; G85-T89 PolarHBondContact O-OG1 3.32Å; R86-T89 PolarHBondContact O-N 2.83Å; R87-T89 VanDerWaalsContact C-N 3.3Å; R87-T89 PolarHBondContact O-N 3.07Å; T89-K91 VanDerWaalsContact C-N 3.28Å; T89-K91 PolarHBondContact O-N 3.01Å; T89-K92 PolarHBondContact O-N 3.15Å; T89-K92 VanDerWaalsContact O-N 3.11Å; T89-I93 HydrophobicContact CG2-CD1 3.96Å; T89-I93 HydrophobicContact CG2-CG1 4.43Å; T89-I93 WeakPolarHBondContact O-CG1 3.49Å; T89-I93 PolarHBondContact O-N 3.45Å; T89-M118 HydrophobicContact CG2-CE 3.22Å
90L96.2Very high93.6Very high38 Ų3885 Ų8520%0.19939%0.389CS..Hα-helixtrans-61-37.6176.6-67.2174.4000112R86 R87 I93 R94 L111 A114R86-L90 HydrophobicContact CG-CD1 4Å; R86-L90 WeakPolarHBondContact O-CG 3.41Å; R86-L90 PolarHBondContact O-N 2.79Å; R87-L90 PolarHBondContact O-N 2.79Å; L90-I93 PolarHBondContact O-N 3.01Å; L90-R94 WeakPolarHBondContact O-CB 3.34Å; L90-R94 PolarHBondContact O-N 3.1Å; L90-L111 HydrophobicContact CB-CD2 4.13Å; L90-L111 HydrophobicContact CD2-CD2 3.99Å; L90-L111 VanDerWaalsContact O-CD2 3.3Å; L90-L111 WeakPolarHBondContact O-CD2 3.49Å; L90-A114 HydrophobicContact CD2-CB 3.9Å
91K96.5Very high93.5Very high140 Ų14090.1 Ų90.161%0.60941%0.407SS*.Hα-helixtrans-61.6-44.7173.3-175.2177.2178.7-179.60111.5R87 P88 T89 R94 N95R87-K91 PolarHBondContact O-N 3.08Å; P88-K91 PolarHBondContact O-N 2.84Å; T89-K91 VanDerWaalsContact C-N 3.28Å; T89-K91 PolarHBondContact O-N 3.01Å; K91-R94 PolarHBondContact O-N 2.85Å; K91-N95 PolarHBondContact O-N 3.08Å; K91-N95 PolarHBondContact O-OD1 3.22Å
92K96.1Very high93.6Very high97 Ų9785.6 Ų85.642%0.42239%0.386SS..Hα-helixtrans-64.3-43.3177.3-72.5-174.1-177.5-174.50112.3F82 P88 T89 R94 N95 L96F82-K92 HydrophobicContact CD1-CD 3.76Å; F82-K92 HydrophobicContact CE1-CB 3.96Å; F82-K92 HydrophobicContact CE1-CD 3.36Å; F82-K92 HydrophobicContact CE1-CG 4.3Å; F82-K92 HydrophobicContact CZ-CB 4.07Å; F82-K92 HydrophobicContact CZ-CD 4.26Å; P88-K92 WeakPolarHBondContact O-CG 2.96Å; P88-K92 PolarHBondContact O-N 2.83Å; T89-K92 PolarHBondContact O-N 3.15Å; T89-K92 VanDerWaalsContact O-N 3.11Å; K92-R94 VanDerWaalsContact C-N 3.33Å; K92-R94 PolarHBondContact O-N 2.76Å; K92-N95 PolarHBondContact O-N 2.87Å; K92-L96 WeakPolarHBondContact O-CB 3.32Å; K92-L96 PolarHBondContact O-N 3.18Å
93I96.2Very high93.7Very high1 Ų184.9 Ų84.91%0.00538%0.383CS..Hα-helixtrans-60.5-44.1175.5-66.3173.7000110.9I51 V62 F82 T89 L90 N95 L96 T97 A110 L111 A114I51-I93 HydrophobicContact CD1-CD1 4.41Å; I51-I93 HydrophobicContact CD1-CG2 4.42Å; V62-I93 HydrophobicContact CG2-CD1 3.89Å; V62-I93 HydrophobicContact CG2-CG1 3.82Å; F82-I93 HydrophobicContact CE2-CG1 4.43Å; T89-I93 HydrophobicContact CG2-CD1 3.96Å; T89-I93 HydrophobicContact CG2-CG1 4.43Å; T89-I93 WeakPolarHBondContact O-CG1 3.49Å; T89-I93 PolarHBondContact O-N 3.45Å; L90-I93 PolarHBondContact O-N 3.01Å; I93-N95 PolarHBondContact O-N 3.25Å; I93-L96 PolarHBondContact O-N 2.96Å; I93-T97 WeakPolarHBondContact O-CB 3.44Å; I93-T97 PolarHBondContact O-N 3.28Å; I93-T97 PolarHBondContact O-OG1 3.48Å; I93-A110 HydrophobicContact CG2-CB 3.87Å; I93-L111 HydrophobicContact CB-CD2 4.25Å; I93-L111 HydrophobicContact CG2-CD2 4.11Å; I93-A114 HydrophobicContact CD1-CB 3.41Å; I93-A114 VanDerWaalsContact CD1-CB 3.41Å
94R96.8Very high94Very high138 Ų13889 Ų8952%0.52139%0.389SS..Hα-helixtrans-59.7-45.7174.5-175.6-173.5-66.1178.4-2.7111.4L90 K91 K92 T97 C98 L111L90-R94 WeakPolarHBondContact O-CB 3.34Å; L90-R94 PolarHBondContact O-N 3.1Å; K91-R94 PolarHBondContact O-N 2.85Å; K92-R94 VanDerWaalsContact C-N 3.33Å; K92-R94 PolarHBondContact O-N 2.76Å; R94-T97 PolarHBondContact O-N 3Å; R94-C98 WeakPolarHBondContact O-CB 3.45Å; R94-C98 PolarHBondContact O-N 3.16Å; R94-L111 HydrophobicContact CB-CD2 4.29Å
95N96.7Very high94.6Very high47 Ų4782.1 Ų82.125%0.25137%0.367SS..Iπ-helixtrans-64.8-44.4-179.6-70-12.3000111.9K91 K92 I93 T97 K99 Q100K91-N95 PolarHBondContact O-N 3.08Å; K91-N95 PolarHBondContact O-OD1 3.22Å; K92-N95 PolarHBondContact O-N 2.87Å; I93-N95 PolarHBondContact O-N 3.25Å; N95-T97 VanDerWaalsContact C-N 3.28Å; N95-T97 PolarHBondContact O-N 3.37Å; N95-K99 HydrophobicContact CB-CB 4.49Å; N95-K99 HydrophobicContact CB-CD 4.18Å; N95-K99 HydrophobicContact CB-CG 4.32Å; N95-K99 WeakPolarHBondContact O-CA 3.28Å; N95-K99 VanDerWaalsContact O-CB 3.28Å; N95-K99 WeakPolarHBondContact O-CB 3.4Å; N95-K99 PolarHBondContact O-N 2.73Å; N95-K99 WeakPolarHBondContact OD1-CE 3.49Å; N95-Q100 PolarHBondContact O-N 3.45Å; N95-Q100 VanDerWaalsContact O-N 3.16Å
96L95.2Very high95.1Very high26 Ų2680.9 Ų80.914%0.13635%0.353CS..Iπ-helixtrans-55.1-44.6173175.367.4000111.5V62 T64 K92 I93 Q100 Y102V62-L96 HydrophobicContact CG1-CD2 3.64Å; T64-L96 HydrophobicContact CG2-CD2 3.98Å; K92-L96 WeakPolarHBondContact O-CB 3.32Å; K92-L96 PolarHBondContact O-N 3.18Å; I93-L96 PolarHBondContact O-N 2.96Å; L96-Q100 WeakPolarHBondContact O-CB 3.16Å; L96-Y102 WeakPolarHBondContact O-CB 3.33Å
97T94.8Very high95.3Very high0 Ų078.6 Ų78.60%035%0.347CS..Iπ-helixtrans-78.9-39.7-174.2-43.10000112.6I49 I93 R94 N95 Y102 R103 K107I49-T97 HydrophobicContact CD1-CG2 4.08Å; I93-T97 WeakPolarHBondContact O-CB 3.44Å; I93-T97 PolarHBondContact O-N 3.28Å; I93-T97 PolarHBondContact O-OG1 3.48Å; R94-T97 PolarHBondContact O-N 3Å; N95-T97 VanDerWaalsContact C-N 3.28Å; N95-T97 PolarHBondContact O-N 3.37Å; T97-Y102 PolarHBondContact O-N 3.46Å; T97-R103 WeakPolarHBondContact CG2-O 3.43Å; T97-K107 HydrophobicContact CG2-CB 4.11Å
98C94.6Very high95.4Very high41 Ų4172.5 Ų72.528%0.27733%0.328SS..Iπ-helixtrans-100.2-55.2-173.3-65.50000113.8R94 K101 K107R94-C98 WeakPolarHBondContact O-CB 3.45Å; R94-C98 PolarHBondContact O-N 3.16Å; C98-K101 PolarHBondContact O-N 2.86Å; C98-K107 WeakPolarHBondContact SG-CD 3.35Å
99K93.9Very high95.5Very high159 Ų15971.1 Ų71.169%0.69132%0.317SS*.Iπ-helixtrans-66-42.2-174.9-66.7-166174.1-160.50111.3N95 K101N95-K99 HydrophobicContact CB-CB 4.49Å; N95-K99 HydrophobicContact CB-CD 4.18Å; N95-K99 HydrophobicContact CB-CG 4.32Å; N95-K99 WeakPolarHBondContact O-CA 3.28Å; N95-K99 VanDerWaalsContact O-CB 3.28Å; N95-K99 WeakPolarHBondContact O-CB 3.4Å; N95-K99 PolarHBondContact O-N 2.73Å; N95-K99 WeakPolarHBondContact OD1-CE 3.49Å; K99-K101 PolarHBondContact O-N 3.17Å
100Q93.4Very high95.6Very high133 Ų13370.9 Ų70.962%0.62132%0.316SS*.THydrogen-bonded Turntrans-79.64.3175.7-58.2-176.8-11.400113.3N95 L96 Y102N95-Q100 PolarHBondContact O-N 3.45Å; N95-Q100 VanDerWaalsContact O-N 3.16Å; L96-Q100 WeakPolarHBondContact O-CB 3.16Å; Q100-Y102 PolarHBondContact O-N 2.97Å
101K93.4Very high95.6Very high157 Ų15770 Ų7068%0.68331%0.311SS*.  trans48.334.8-179-57.9178.1-178.21770113.1C98 K99C98-K101 PolarHBondContact O-N 2.86Å; K99-K101 PolarHBondContact O-N 3.17Å
102Y95Very high95.7Very high34 Ų3471.5 Ų71.513%0.13331%0.313CS..SBendtrans-72.5-61.2-172.1-170.5-95.3000112K47 A48 I49 T64 K65 L96 T97 Q100K47-Y102 WeakPolarHBondContact CA-OH 3.14Å; K47-Y102 HydrophobicContact CB-CD1 4.41Å; K47-Y102 HydrophobicContact CB-CE1 3.75Å; K47-Y102 HydrophobicContact CB-CE2 4.22Å; K47-Y102 HydrophobicContact CD-CD2 4.01Å; K47-Y102 HydrophobicContact CD-CE2 3.95Å; K47-Y102 HydrophobicContact CD-CG 4.34Å; K47-Y102 WeakPolarHBondContact CD-O 3.22Å; K47-Y102 HydrophobicContact CG-CD2 4.4Å; K47-Y102 HydrophobicContact CG-CE1 4.27Å; K47-Y102 HydrophobicContact CG-CE2 3.83Å; A48-Y102 PolarHBondContact N-OH 2.81Å; A48-Y102 PolarHBondContact O-OH 3.03Å; I49-Y102 HydrophobicContact CD1-CD1 3.99Å; I49-Y102 HydrophobicContact CD1-CE1 4.45Å; I49-Y102 HydrophobicContact CG1-CD1 3.89Å; I49-Y102 HydrophobicContact CG1-CE1 3.83Å; T64-Y102 HydrophobicContact CG2-CE1 4.48Å; K65-Y102 PolarHBondContact N-OH 3.2Å; K65-Y102 VanDerWaalsContact N-OH 3.12Å; K65-Y102 PolarHBondContact O-OH 2.88Å; L96-Y102 WeakPolarHBondContact O-CB 3.33Å; T97-Y102 PolarHBondContact O-N 3.46Å; Q100-Y102 PolarHBondContact O-N 2.97Å
103R95.1Very high95.7Very high15 Ų1571.8 Ų71.86%0.05731%0.311CS..  trans-150.670.6176.6-73.4-165.265.1-177.2-3.3111.3R39 K47 I49 T97 E105 L106R39-R103 PolarHBondContact O-NH2 3.4Å; K47-R103 HydrophobicContact CB-CG 3.95Å; K47-R103 WeakPolarHBondContact O-CD 3.42Å; K47-R103 PolarHBondContact O-NH1 2.73Å; I49-R103 HydrophobicContact CD1-CB 4.14Å; T97-R103 WeakPolarHBondContact CG2-O 3.43Å; R103-E105 VanDerWaalsContact CA-OE2 3.26Å; R103-E105 WeakPolarHBondContact CA-OE2 3.41Å; R103-E105 IonicContact CZ-OE1 2.76Å; R103-E105 IonicContact NE-OE1 2.73Å; R103-E105 PolarHBondContact NE-OE1 2.82Å; R103-E105 IonicContact NH2-OE1 3.98Å; R103-E105 PolarHBondContact NH2-OE1 3.24Å; R103-E105 PolarHBondContact O-N 3.47Å; R103-E105 VanDerWaalsContact O-N 3.1Å; R103-L106 HydrophobicContact CB-CB 4.45Å; R103-L106 HydrophobicContact CB-CD1 4.32Å; R103-L106 HydrophobicContact CB-CG 4.35Å; R103-L106 PolarHBondContact O-N 2.59Å
104R96.1Very high95.6Very high170 Ų17071.7 Ų71.764%0.64231%0.311SS*.G310 helixtrans-54.2-33.6-171.5-65-171.5-70.4169.1-1.7113L106 K107R104-L106 PolarHBondContact O-N 3.12Å; R104-K107 WeakPolarHBondContact O-CB 3.22Å; R104-K107 PolarHBondContact O-N 3.3Å; R104-K107 VanDerWaalsContact O-N 3.13Å
105E95.3Very high95.5Very high84 Ų8466.7 Ų66.739%0.39330%0.297SS..G310 helixtrans-67.6-17.2-179.482-71.2171.700113.6R39 R103R39-E105 PolarHBondContact NH2-O 3.38Å; R103-E105 VanDerWaalsContact CA-OE2 3.26Å; R103-E105 WeakPolarHBondContact CA-OE2 3.41Å; R103-E105 IonicContact CZ-OE1 2.76Å; R103-E105 IonicContact NE-OE1 2.73Å; R103-E105 PolarHBondContact NE-OE1 2.82Å; R103-E105 IonicContact NH2-OE1 3.98Å; R103-E105 PolarHBondContact NH2-OE1 3.24Å; R103-E105 PolarHBondContact O-N 3.47Å; R103-E105 VanDerWaalsContact O-N 3.1Å
106L96Very high95.4Very high4 Ų466.7 Ų66.72%0.02130%0.304CS..G310 helixtrans-97-0175.8-63.7-171.3000113.4L32 Y40 R103 R104 M108 L109 A110L32-L106 HydrophobicContact CD1-CB 4.04Å; L32-L106 HydrophobicContact CD1-CD1 4.05Å; Y40-L106 HydrophobicContact CD1-CD2 3.84Å; Y40-L106 HydrophobicContact CE1-CD2 4.02Å; R103-L106 HydrophobicContact CB-CB 4.45Å; R103-L106 HydrophobicContact CB-CD1 4.32Å; R103-L106 HydrophobicContact CB-CG 4.35Å; R103-L106 PolarHBondContact O-N 2.59Å; R104-L106 PolarHBondContact O-N 3.12Å; L106-M108 PolarHBondContact O-N 2.74Å; L106-L109 HydrophobicContact CD2-CD1 4.41Å; L106-L109 WeakPolarHBondContact O-CB 3.5Å; L106-L109 PolarHBondContact O-N 3.38Å; L106-L109 VanDerWaalsContact O-N 3.1Å; L106-A110 WeakPolarHBondContact O-CB 3.14Å; L106-A110 PolarHBondContact O-N 2.93Å
107K96.1Very high95.2Very high78 Ų7866.3 Ų66.334%0.33930%0.302SS..Hα-helixtrans-46.1-56.3-176.4179.1-169.184.5179.80113T97 C98 R104 L109 A110 L111T97-K107 HydrophobicContact CG2-CB 4.11Å; C98-K107 WeakPolarHBondContact SG-CD 3.35Å; R104-K107 WeakPolarHBondContact O-CB 3.22Å; R104-K107 PolarHBondContact O-N 3.3Å; R104-K107 VanDerWaalsContact O-N 3.13Å; K107-L109 VanDerWaalsContact C-N 3.35Å; K107-A110 PolarHBondContact O-N 3.03Å; K107-L111 HydrophobicContact CG-CD1 4.15Å; K107-L111 WeakPolarHBondContact O-CG 3.41Å; K107-L111 PolarHBondContact O-N 2.79Å
108M96.8Very high95Very high90 Ų9067.3 Ų67.344%0.44331%0.307SS..Hα-helixtrans-70.3-34.6-175-68.3-54.4-6700112.1L106 L111 R112L106-M108 PolarHBondContact O-N 2.74Å; M108-L111 HydrophobicContact SD-CD1 4.39Å; M108-R112 VanDerWaalsContact O-CB 3.28Å; M108-R112 WeakPolarHBondContact O-CB 3.26Å; M108-R112 WeakPolarHBondContact O-CG 3.5Å; M108-R112 PolarHBondContact O-N 3.01Å
109L96.7Very high94.8Very high36 Ų3669.2 Ų69.219%0.18831%0.314CS..Hα-helixtrans-64.3-44.8175.2-107145.5000111.3L32 K33 Y40 L106 K107 R112 R113L32-L109 HydrophobicContact CB-CB 4.33Å; L32-L109 HydrophobicContact CB-CD2 3.89Å; L32-L109 HydrophobicContact CD1-CB 4.09Å; K33-L109 HydrophobicContact CB-CD2 3.62Å; K33-L109 HydrophobicContact CD-CD2 4.43Å; K33-L109 HydrophobicContact CG-CD2 3.97Å; Y40-L109 HydrophobicContact CD1-CD1 4.23Å; Y40-L109 HydrophobicContact CE1-CD1 3.54Å; L106-L109 HydrophobicContact CD2-CD1 4.41Å; L106-L109 WeakPolarHBondContact O-CB 3.5Å; L106-L109 PolarHBondContact O-N 3.38Å; L106-L109 VanDerWaalsContact O-N 3.1Å; K107-L109 VanDerWaalsContact C-N 3.35Å; L109-R112 PolarHBondContact O-N 3.06Å; L109-R113 WeakPolarHBondContact O-CB 3.33Å; L109-R113 PolarHBondContact O-N 3.11Å
110A96.7Very high94.4Very high0 Ų067.4 Ų67.40%031%0.312CS..Hα-helixtrans-62.2-48.3177.300000111.3L32 I51 I93 L106 K107 R113 A114L32-A110 HydrophobicContact CD1-CB 3.97Å; I51-A110 HydrophobicContact CD1-CB 3.78Å; I51-A110 WeakPolarHBondContact CD1-O 3.32Å; I93-A110 HydrophobicContact CG2-CB 3.87Å; L106-A110 WeakPolarHBondContact O-CB 3.14Å; L106-A110 PolarHBondContact O-N 2.93Å; K107-A110 PolarHBondContact O-N 3.03Å; A110-R113 PolarHBondContact O-N 3.4Å; A110-A114 WeakPolarHBondContact O-CB 3.39Å; A110-A114 PolarHBondContact O-N 2.88Å
111L97Very high94Very high20 Ų2063.4 Ų63.411%0.10529%0.294CS..Hα-helixtrans-63.3-44.7178.3-69.4174.4000112.5L90 I93 R94 K107 M108 A114 S115L90-L111 HydrophobicContact CB-CD2 4.13Å; L90-L111 HydrophobicContact CD2-CD2 3.99Å; L90-L111 VanDerWaalsContact O-CD2 3.3Å; L90-L111 WeakPolarHBondContact O-CD2 3.49Å; I93-L111 HydrophobicContact CB-CD2 4.25Å; I93-L111 HydrophobicContact CG2-CD2 4.11Å; R94-L111 HydrophobicContact CB-CD2 4.29Å; K107-L111 HydrophobicContact CG-CD1 4.15Å; K107-L111 WeakPolarHBondContact O-CG 3.41Å; K107-L111 PolarHBondContact O-N 2.79Å; M108-L111 HydrophobicContact SD-CD1 4.39Å; L111-A114 PolarHBondContact O-N 3.1Å; L111-S115 WeakPolarHBondContact O-CB 3.09Å; L111-S115 PolarHBondContact O-N 3.32Å
112R97Very high93.3Very high171 Ų17161.7 Ų61.765%0.64529%0.286SS*.Hα-helixtrans-62.5-46.2178.4-76.5175.1178.3158.9-0.7111.3M108 L109 S115 A116M108-R112 VanDerWaalsContact O-CB 3.28Å; M108-R112 WeakPolarHBondContact O-CB 3.26Å; M108-R112 WeakPolarHBondContact O-CG 3.5Å; M108-R112 PolarHBondContact O-N 3.01Å; L109-R112 PolarHBondContact O-N 3.06Å; R112-S115 PolarHBondContact O-N 3.27Å; R112-A116 WeakPolarHBondContact O-CB 3.36Å; R112-A116 PolarHBondContact O-N 3.43Å
113R95.7Very high92.4Very high103 Ų10366 Ų6639%0.38932%0.319SS..Hα-helixtrans-63.4-46.1178.7-173.5150.7-177.6107.54111.8L32 I51 L109 A110 S115 A116 L117L32-R113 WeakPolarHBondContact O-CD 3.43Å; I51-R113 HydrophobicContact CB-CG 4.28Å; I51-R113 PolarHBondContact O-NE 2.93Å; L109-R113 WeakPolarHBondContact O-CB 3.33Å; L109-R113 PolarHBondContact O-N 3.11Å; A110-R113 PolarHBondContact O-N 3.4Å; R113-S115 VanDerWaalsContact C-N 3.33Å; R113-S115 PolarHBondContact O-N 3.3Å; R113-A116 PolarHBondContact O-N 3.33Å; R113-L117 HydrophobicContact CG-CD1 4.43Å; R113-L117 WeakPolarHBondContact O-CG 3.24Å; R113-L117 PolarHBondContact O-N 2.72Å
114A95Very high91.3Very high0 Ų071.6 Ų71.60%035%0.354CS..Hα-helixtrans-60.4-42.9175.900000112.4I51 L90 I93 A110 L111 L117 M118I51-A114 HydrophobicContact CD1-CB 4.21Å; I51-A114 HydrophobicContact CG2-CB 4.1Å; L90-A114 HydrophobicContact CD2-CB 3.9Å; I93-A114 HydrophobicContact CD1-CB 3.41Å; I93-A114 VanDerWaalsContact CD1-CB 3.41Å; A110-A114 WeakPolarHBondContact O-CB 3.39Å; A110-A114 PolarHBondContact O-N 2.88Å; L111-A114 PolarHBondContact O-N 3.1Å; A114-L117 PolarHBondContact O-N 3.36Å; A114-M118 HydrophobicContact CB-CE 4.31Å; A114-M118 VanDerWaalsContact O-CG 3.26Å; A114-M118 WeakPolarHBondContact O-CG 3.29Å; A114-M118 PolarHBondContact O-N 2.83Å
115S94.6Very high90.1Very high32 Ų3267.7 Ų67.722%0.22436%0.358CS..Hα-helixtrans-64-43.2177.7-170.50000112L111 R112 R113 M118 L119L111-S115 WeakPolarHBondContact O-CB 3.09Å; L111-S115 PolarHBondContact O-N 3.32Å; R112-S115 PolarHBondContact O-N 3.27Å; R113-S115 VanDerWaalsContact C-N 3.33Å; R113-S115 PolarHBondContact O-N 3.3Å; S115-M118 PolarHBondContact O-N 2.91Å; S115-L119 VanDerWaalsContact O-CG 3.29Å; S115-L119 WeakPolarHBondContact O-CG 3.46Å; S115-L119 PolarHBondContact O-N 2.91Å
116A93.8Very high89Confident47 Ų4772.7 Ų72.739%0.38838%0.381SS..Hα-helixtrans-61.8-46.3178.200000111.5R112 R113 M118 L119 N120R112-A116 WeakPolarHBondContact O-CB 3.36Å; R112-A116 PolarHBondContact O-N 3.43Å; R113-A116 PolarHBondContact O-N 3.33Å; A116-M118 PolarHBondContact O-N 3.23Å; A116-L119 PolarHBondContact O-N 3.31Å; A116-N120 PolarHBondContact O-N 3.15Å; A116-N120 PolarHBondContact O-OD1 3.45Å
117L92.3Very high87.8Confident19 Ų1977.8 Ų77.810%0.09942%0.417CS..Hα-helixtrans-60.6-45.4176.2-65.1178000111.8I51 E53 V60 R113 A114 L119 N120 M121I51-L117 HydrophobicContact CG2-CD1 3.91Å; E53-L117 HydrophobicContact CG-CB 4.34Å; E53-L117 HydrophobicContact CG-CD1 4.21Å; E53-L117 HydrophobicContact CG-CD2 3.79Å; E53-L117 HydrophobicContact CG-CG 4.32Å; E53-L117 WeakPolarHBondContact OE1-CD2 3.1Å; V60-L117 HydrophobicContact CG1-CD1 4.49Å; V60-L117 HydrophobicContact CG2-CB 4.29Å; R113-L117 HydrophobicContact CG-CD1 4.43Å; R113-L117 WeakPolarHBondContact O-CG 3.24Å; R113-L117 PolarHBondContact O-N 2.72Å; A114-L117 PolarHBondContact O-N 3.36Å; L117-L119 PolarHBondContact O-N 2.74Å; L117-N120 PolarHBondContact O-N 3.12Å; L117-M121 VanDerWaalsContact O-CG 3.28Å; L117-M121 WeakPolarHBondContact O-CG 3.49Å; L117-M121 PolarHBondContact O-N 3.46Å
118M90.8Very high86.6Confident20 Ų2078 Ų7810%0.09943%0.434CS..Hα-helixtrans-66.5-25.3178.1-68.7175-161.300113.7V60 R86 T89 A114 S115 A116V60-M118 HydrophobicContact CB-CE 3.96Å; V60-M118 HydrophobicContact CG2-CE 3.52Å; V60-M118 HydrophobicContact CG2-CG 3.65Å; V60-M118 HydrophobicContact CG2-SD 4.49Å; R86-M118 HydrophobicContact CB-SD 4.02Å; R86-M118 HydrophobicContact CG-SD 3.67Å; T89-M118 HydrophobicContact CG2-CE 3.22Å; A114-M118 HydrophobicContact CB-CE 4.31Å; A114-M118 VanDerWaalsContact O-CG 3.26Å; A114-M118 WeakPolarHBondContact O-CG 3.29Å; A114-M118 PolarHBondContact O-N 2.83Å; S115-M118 PolarHBondContact O-N 2.91Å; A116-M118 PolarHBondContact O-N 3.23Å
119L89Confident85.4Confident82 Ų8279.6 Ų79.643%0.42945%0.451SS..Hα-helixtrans-74.8-44.4172.9-75167.3000110.5S115 A116 L117 M121 K122S115-L119 VanDerWaalsContact O-CG 3.29Å; S115-L119 WeakPolarHBondContact O-CG 3.46Å; S115-L119 PolarHBondContact O-N 2.91Å; A116-L119 PolarHBondContact O-N 3.31Å; L117-L119 PolarHBondContact O-N 2.74Å; L119-M121 PolarHBondContact O-N 3.21Å; L119-K122 WeakPolarHBondContact O-CB 3.36Å; L119-K122 PolarHBondContact O-N 3.33Å; L119-K122 VanDerWaalsContact O-N 3.11Å
120N87Confident84Confident121 Ų12187.4 Ų87.465%0.64748%0.483SS*.Hα-helixtrans-63.8-27.9177.6-69.6-0.9000113A116 L117 K122A116-N120 PolarHBondContact O-N 3.15Å; A116-N120 PolarHBondContact O-OD1 3.45Å; L117-N120 PolarHBondContact O-N 3.12Å; N120-K122 VanDerWaalsContact C-N 3.26Å; N120-K122 PolarHBondContact O-N 2.95Å
121M83.9Confident82.5Confident49 Ų4993.6 Ų93.624%0.24152%0.521CS..THydrogen-bonded Turntrans-74.1-12175.8-74.4-179.2153.700114.4E53 G57 G59 L117 L119E53-M121 HydrophobicContact CB-CE 3.55Å; E53-M121 HydrophobicContact CG-CE 3.77Å; G57-M121 WeakPolarHBondContact O-CE 3.32Å; G57-M121 VanDerWaalsContact O-SD 3.35Å; G59-M121 WeakPolarHBondContact O-CE 3.38Å; L117-M121 VanDerWaalsContact O-CG 3.28Å; L117-M121 WeakPolarHBondContact O-CG 3.49Å; L117-M121 PolarHBondContact O-N 3.46Å; L119-M121 PolarHBondContact O-N 3.21Å
122K80.1Confident80.9Confident120 Ų120102 Ų10252%0.52256%0.557SS.*SBendtrans-71.5139.7176.5-69.5-175170.6-165.80109.2L119 N120 V124L119-K122 WeakPolarHBondContact O-CB 3.36Å; L119-K122 PolarHBondContact O-N 3.33Å; L119-K122 VanDerWaalsContact O-N 3.11Å; N120-K122 VanDerWaalsContact C-N 3.26Å; N120-K122 PolarHBondContact O-N 2.95Å; K122-V124 PolarHBondContact O-N 3.49Å; K122-V124 VanDerWaalsContact O-N 3.14Å
123P74.5Confident79.1Confident126 Ų126103.8 Ų103.882%0.81857%0.569SS**PPolyproline II helixtrans-56124.7170.122.9-30.8000108.4A125P123-A125 PolarHBondContact O-N 2.84Å
124V73.7Confident77.4Confident132 Ų132108.7 Ų108.780%0.861%0.611SS**PPolyproline II helixtrans-66.7123.4174.7179.60000106.4K122 Q126K122-V124 PolarHBondContact O-N 3.49Å; K122-V124 VanDerWaalsContact O-N 3.14Å; V124-Q126 PolarHBondContact O-N 3.3Å; V124-Q126 VanDerWaalsContact O-N 3.14Å
125A70.9Confident76.5Confident88 Ų88114.2 Ų114.273%0.72764%0.642SS**PPolyproline II helixtrans-56.8121.9171.900000107.5P123 S127P123-A125 PolarHBondContact O-N 2.84Å; A125-S127 PolarHBondContact O-N 2.92Å; A125-S127 VanDerWaalsContact O-N 3.15Å
126Q71.1Confident75.6Confident188 Ų188118.5 Ų118.588%0.87966%0.664SS**PPolyproline II helixtrans-58123.7177.4-67.2-178.8-5.200107.6V124 A128V124-Q126 PolarHBondContact O-N 3.3Å; V124-Q126 VanDerWaalsContact O-N 3.14Å; Q126-A128 PolarHBondContact O-N 3.27Å
127S70.3Confident74.6Confident112 Ų112122.4 Ų122.478%0.78368%0.679SS**PPolyproline II helixtrans-59.9129.917353.90000108A125A125-S127 PolarHBondContact O-N 2.92Å; A125-S127 VanDerWaalsContact O-N 3.15Å
128A71.7Confident73.5Confident83 Ų83128.5 Ų128.569%0.68671%0.713SS**PPolyproline II helixtrans-48.313817700000110.1Q126 K130Q126-A128 PolarHBondContact O-N 3.27Å; A128-K130 PolarHBondContact O-N 3.35Å; A128-K130 VanDerWaalsContact O-N 3.11Å
129P70.8Confident72.5Confident122 Ų122135.3 Ų135.379%0.79275%0.751SS**PPolyproline II helixtrans-56123.8-178.921.5-30.3000108.5T131P129-T131 PolarHBondContact O-N 3.49Å
130K68.2Low71.4Confident201 Ų201138.9 Ų138.987%0.87477%0.773SS**  trans-61.1111.5174.4-66.7-171-179.7-1760106.9A128 K132A128-K130 PolarHBondContact O-N 3.35Å; A128-K130 VanDerWaalsContact O-N 3.11Å; K130-K132 PolarHBondContact O-N 3.32Å
131T65.7Low70.2Confident130 Ų130140.1 Ų140.180%0.79878%0.782SS**  trans-57.3113.3168.633.50000107.3P129 K133P129-T131 PolarHBondContact O-N 3.49Å; T131-K133 PolarHBondContact O-N 3.07Å; T131-K133 VanDerWaalsContact O-N 3.1Å
132K62.7Low69.2Low197 Ų197147.2 Ų147.286%0.85782%0.823SS**  trans-61.1113.5168.5-80.3-179.8175.7-179.10106K130 T134K130-K132 PolarHBondContact O-N 3.32Å; K132-T134 PolarHBondContact O-N 3.27Å; K132-T134 VanDerWaalsContact O-N 3.09Å
133K60.3Low68.3Low208 Ų208149.4 Ų149.490%0.90485%0.848SS**  trans-68.8103.6165.7-70.9-173.7176.8-174.20106.6T131T131-K133 PolarHBondContact O-N 3.07Å; T131-K133 VanDerWaalsContact O-N 3.1Å
134T59.7Low67.7Low206 Ų206151.5 Ų151.5100%1.26485%0.851SS**  trans-64.70156.540.90000109.9K132K132-T134 PolarHBondContact O-N 3.27Å; K132-T134 VanDerWaalsContact O-N 3.09Å

Retrieved 134 of 134 residues in 27.4 ms (Link to these results)

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