A0A077ZB66_TRITR Loading...

Cysteine-rich protein 1

Seems to have a role in zinc absorption and may function as an intracellular zinc transport protein.

AlphaFold DB , UniProt , Accession A0A077ZB66, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 83 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
1M65.1Low87.1Confident167 Ų16768.5 Ų68.582%0.82338%0.382SS*.  0122.10-141.4170.3-158.700106.8P10 Y12M1-P10 HydrophobicContact SD-CB 4.47Å; M1-Y12 HydrophobicContact CE-CD1 4.04Å; M1-Y12 HydrophobicContact CE-CE1 4.12Å
2P83.7Confident87.3Confident50 Ų5073.9 Ų73.933%0.32539%0.394SS..PPolyproline II helixtrans-76.7139.2-174.429.5-32.5000111.3V11 D23P2-V11 PolarHBondContact O-N 2.91Å; P2-D23 HydrophobicContact CB-CB 3.8Å; P2-D23 WeakPolarHBondContact CB-OD2 3.45Å; P2-D23 HydrophobicContact CG-CB 3.55Å; P2-D23 WeakPolarHBondContact CG-OD2 3.34Å
3N90.4Very high87.3Confident96 Ų9681.2 Ų81.251%0.51342%0.421SS..BIsolated β-bridgetrans-91.9138.1175.9-6381.1000109.5P5 N8 K9N3-P5 WeakPolarHBondContact O-CD 3.31Å; N3-N8 PolarHBondContact ND2-O 3.26Å; N3-K9 WeakPolarHBondContact CA-O 3.43Å
4C91.2Very high87.5Confident0 Ų082.3 Ų82.30%045%0.447CS..PPolyproline II helixtrans-66.5123.5174.81780000109.3A6 C7 N8 K9 V11 D23 H25C4-A6 PolarHBondContact O-N 3.22Å; C4-C7 PolarHBondContact O-N 3.43Å; C4-N8 WeakPolarHBondContact O-CA 3.38Å; C4-N8 PolarHBondContact O-N 3.08Å; C4-K9 PolarHBondContact N-O 2.85Å; C4-V11 HydrophobicContact CB-CG2 3.59Å; C4-D23 WeakPolarHBondContact CA-O 3.17Å; C4-H25 WeakPolarHBondContact CB-CE1 3.37Å; C4-H25 WeakPolarHBondContact CB-ND1 3.46Å
5P85.3Confident87.4Confident41 Ų4182.1 Ų82.127%0.26644%0.442SS..THydrogen-bonded Turntrans-65.5-21.9-18026.4-35.6000113.4N3 D23 W24N3-P5 WeakPolarHBondContact O-CD 3.31Å; P5-D23 WeakPolarHBondContact CD-O 3.4Å; P5-W24 HydrophobicContact CB-CH2 4.45Å; P5-W24 HydrophobicContact CB-CZ2 4.47Å; P5-W24 HydrophobicContact CG-CD2 4.07Å; P5-W24 HydrophobicContact CG-CE3 4.25Å; P5-W24 HydrophobicContact CG-CH2 3.56Å; P5-W24 HydrophobicContact CG-CZ2 3.31Å; P5-W24 HydrophobicContact CG-CZ3 4.02Å
6A86.4Confident87.4Confident53 Ų5383.9 Ų83.944%0.43844%0.441SS..THydrogen-bonded Turntrans-77.8-37.4176.600000114.6C4 W24 C28C4-A6 PolarHBondContact O-N 3.22Å; A6-W24 HydrophobicContact CB-CE3 4.11Å; A6-W24 HydrophobicContact CB-CH2 4.38Å; A6-W24 HydrophobicContact CB-CZ3 3.47Å; A6-W24 VanDerWaalsContact CB-CZ3 3.47Å; A6-C28 HydrophobicContact CB-CB 4.24Å
7C90.1Very high87.4Confident43 Ų4382.5 Ų82.529%0.29143%0.43SS..THydrogen-bonded Turntrans-121.4-2.2-175.469.50000114.2C4 K9 H25C4-C7 PolarHBondContact O-N 3.43Å; C7-K9 HydrophobicContact CB-CD 4.31Å; C7-K9 PolarHBondContact O-N 2.88Å; C7-H25 PolarHBondContact SG-CE1 3.29Å; C7-H25 PolarHBondContact SG-ND1 2.82Å
8N89.2Confident87.2Confident123 Ų12382.8 Ų82.866%0.65844%0.436SS*.  trans5811-176.3-66.4-84.4000115.3N3 C4N3-N8 PolarHBondContact ND2-O 3.26Å; C4-N8 WeakPolarHBondContact O-CA 3.38Å; C4-N8 PolarHBondContact O-N 3.08Å
9K92.1Very high86.8Confident129 Ų12978.9 Ų78.956%0.56142%0.417SS*.  trans-88.3151.6177.8-65.1164.367.3-151.90111.4N3 C4 C7 V11 H25N3-K9 WeakPolarHBondContact CA-O 3.43Å; C4-K9 PolarHBondContact N-O 2.85Å; C7-K9 HydrophobicContact CB-CD 4.31Å; C7-K9 PolarHBondContact O-N 2.88Å; K9-V11 PolarHBondContact O-N 2.86Å; K9-H25 PolarHBondContact O-CE1 3.18Å
10P92Very high86.2Confident47 Ų4780.8 Ų80.831%0.30542%0.424SS..BIsolated β-bridgetrans-61.3136.6175.726-34.6000111M1 Y12 H25M1-P10 HydrophobicContact SD-CB 4.47Å; P10-Y12 HydrophobicContact CG-CE2 4.32Å; P10-H25 PolarHBondContact O-NE2 2.97Å
11V91.9Very high86.1Confident4 Ų480.2 Ų80.22%0.02444%0.438CS..  trans-93.3113.2177.1-174.50000109.3P2 C4 K9 R16 D23 W24P2-V11 PolarHBondContact O-N 2.91Å; C4-V11 HydrophobicContact CB-CG2 3.59Å; K9-V11 PolarHBondContact O-N 2.86Å; V11-R16 VanDerWaalsContact CG1-CA 3.43Å; V11-R16 HydrophobicContact CG1-CB 3.76Å; V11-R16 HydrophobicContact CG1-CG 3.93Å; V11-D23 HydrophobicContact CB-CB 4.08Å; V11-D23 HydrophobicContact CG1-CB 4.21Å; V11-D23 HydrophobicContact CG2-CB 4.16Å; V11-W24 WeakPolarHBondContact CG1-O 3.39Å
12Y90.4Very high87.1Confident134 Ų13477.1 Ų77.153%0.52542%0.42SS..  trans-80.4150.5175.8-64.1-81.8000111.1M1 P10 A14 E15 R16M1-Y12 HydrophobicContact CE-CD1 4.04Å; M1-Y12 HydrophobicContact CE-CE1 4.12Å; P10-Y12 HydrophobicContact CG-CE2 4.32Å; Y12-A14 PolarHBondContact O-N 2.71Å; Y12-E15 PolarHBondContact O-N 3.08Å; Y12-R16 WeakPolarHBondContact O-CB 3.05Å; Y12-R16 PolarHBondContact O-N 3.15Å
13F87.2Confident87.3Confident169 Ų16975.9 Ų75.974%0.74141%0.411SS*.THydrogen-bonded Turntrans-50-37.1-179.4-175.1-96.8000113.7E15 R16F13-E15 VanDerWaalsContact C-N 3.31Å; F13-E15 PolarHBondContact O-N 3.39Å; F13-R16 PolarHBondContact O-N 3.01Å
14A89.2Confident87.3Confident96 Ų9671.3 Ų71.379%0.79339%0.386SS*.THydrogen-bonded Turntrans-61.5-33.9179.400000114.1Y12Y12-A14 PolarHBondContact O-N 2.71Å
15E86.1Confident87.4Confident79 Ų7971.8 Ų71.837%0.36939%0.388SS..THydrogen-bonded Turntrans-111.72.8-179.2-61.3-163.192.400113Y12 F13 K17 H25 S26Y12-E15 PolarHBondContact O-N 3.08Å; F13-E15 VanDerWaalsContact C-N 3.31Å; F13-E15 PolarHBondContact O-N 3.39Å; E15-K17 PolarHBondContact O-N 2.95Å; E15-K17 VanDerWaalsContact O-N 3.15Å; E15-H25 CarbonylContact O-C 3.59Å; E15-H25 WeakPolarHBondContact O-CA 3.36Å; E15-S26 PolarHBondContact O-N 3.16Å; E15-S26 PolarHBondContact O-OG 3.35Å
16R87.2Confident87.5Confident111 Ų11171.6 Ų71.642%0.41939%0.388SS..EExtended strand (participates in β ladder)trans-68.3112-173.3-172.5178.671.5151-1.9111.1V11 Y12 F13 V18 D23V11-R16 VanDerWaalsContact CG1-CA 3.43Å; V11-R16 HydrophobicContact CG1-CB 3.76Å; V11-R16 HydrophobicContact CG1-CG 3.93Å; Y12-R16 WeakPolarHBondContact O-CB 3.05Å; Y12-R16 PolarHBondContact O-N 3.15Å; F13-R16 PolarHBondContact O-N 3.01Å; R16-V18 HydrophobicContact CG-CG2 4.43Å; R16-D23 WeakPolarHBondContact CD-OD1 3.23Å; R16-D23 HydrophobicContact CG-CB 4.17Å; R16-D23 WeakPolarHBondContact CG-OD1 3.22Å
17K87.4Confident87.6Confident61 Ų6172.2 Ų72.227%0.26539%0.393SS..EExtended strand (participates in β ladder)trans-107.9111.5168.2-58.2-45.7-167.5-176.10108.6E15 S19 D23 W24 S26 L29 P42E15-K17 PolarHBondContact O-N 2.95Å; E15-K17 VanDerWaalsContact O-N 3.15Å; K17-S19 PolarHBondContact O-N 2.96Å; K17-D23 WeakPolarHBondContact O-CA 3.2Å; K17-W24 HydrophobicContact CB-CB 4.31Å; K17-W24 PolarHBondContact N-O 2.79Å; K17-W24 PolarHBondContact O-N 3.48Å; K17-S26 VanDerWaalsContact CE-OG 3.31Å; K17-S26 WeakPolarHBondContact CE-OG 3.38Å; K17-L29 HydrophobicContact CB-CD2 4.14Å; K17-L29 HydrophobicContact CG-CD2 4.26Å; K17-P42 HydrophobicContact CB-CB 4.12Å; K17-P42 HydrophobicContact CD-CB 3.73Å; K17-P42 HydrophobicContact CD-CG 3.72Å; K17-P42 HydrophobicContact CG-CB 4.06Å; K17-P42 HydrophobicContact CG-CG 4.39Å
18V83.6Confident87.6Confident87 Ų8771.4 Ų71.453%0.52739%0.388SS..EExtended strand (participates in β ladder)trans-80.1119172.9-174.40000107.7R16 K22R16-V18 HydrophobicContact CG-CG2 4.43Å; V18-K22 WeakPolarHBondContact CA-O 3.21Å
19S80.2Confident87.7Confident10 Ų1065.6 Ų65.67%0.0736%0.357CS..EExtended strand (participates in β ladder)trans-139.8129.9177-162.60000109.9K17 G21 K22 H45K17-S19 PolarHBondContact O-N 2.96Å; S19-G21 PolarHBondContact O-N 3.16Å; S19-K22 PolarHBondContact N-O 2.81Å; S19-K22 PolarHBondContact O-N 3.44Å; S19-K22 VanDerWaalsContact O-O 3.07Å; S19-H45 VanDerWaalsContact CB-NE2 3.31Å; S19-H45 WeakPolarHBondContact CB-NE2 3.42Å; S19-H45 PolarHBondContact OG-CE1 2.82Å; S19-H45 PolarHBondContact OG-NE2 2.93Å
20M75Confident87.7Confident115 Ų11566.6 Ų66.657%0.56736%0.357SS*.THydrogen-bonded Turntrans50.531.5178.4-64.6140.4108.600113.7E47M20-E47 HydrophobicContact CE-CB 3.92Å; M20-E47 HydrophobicContact SD-CB 3.72Å; M20-E47 PolarHBondContact SD-N 3.26Å
21G83.9Confident87.7Confident70 Ų7064.4 Ų64.472%0.72234%0.343SS*.THydrogen-bonded Turntrans83.35.1-17900000115.7S19S19-G21 PolarHBondContact O-N 3.16Å
22K86Confident87.7Confident101 Ų10166 Ų6644%0.43936%0.357SS..EExtended strand (participates in β ladder)trans-118.8155176.7-70.9157.8-177.7-79.40111.3V18 S19 E47V18-K22 WeakPolarHBondContact CA-O 3.21Å; S19-K22 PolarHBondContact N-O 2.81Å; S19-K22 PolarHBondContact O-N 3.44Å; S19-K22 VanDerWaalsContact O-O 3.07Å; K22-E47 VanDerWaalsContact CD-OE2 3.32Å; K22-E47 WeakPolarHBondContact CD-OE2 3.23Å
23D89.3Confident87.8Confident24 Ų2461.4 Ų61.413%0.12834%0.341CS..EExtended strand (participates in β ladder)trans-98.6134.3177.9-60.1-97.2000111.5P2 C4 P5 V11 R16 K17P2-D23 HydrophobicContact CB-CB 3.8Å; P2-D23 WeakPolarHBondContact CB-OD2 3.45Å; P2-D23 HydrophobicContact CG-CB 3.55Å; P2-D23 WeakPolarHBondContact CG-OD2 3.34Å; C4-D23 WeakPolarHBondContact CA-O 3.17Å; P5-D23 WeakPolarHBondContact CD-O 3.4Å; V11-D23 HydrophobicContact CB-CB 4.08Å; V11-D23 HydrophobicContact CG1-CB 4.21Å; V11-D23 HydrophobicContact CG2-CB 4.16Å; R16-D23 WeakPolarHBondContact CD-OD1 3.23Å; R16-D23 HydrophobicContact CG-CB 4.17Å; R16-D23 WeakPolarHBondContact CG-OD1 3.22Å; K17-D23 WeakPolarHBondContact O-CA 3.2Å
24W90.6Very high87.9Confident1 Ų160.1 Ų60.10%0.00434%0.337CS..EExtended strand (participates in β ladder)trans-128.2149.8-177.1-65.882.8000110.6P5 A6 V11 K17 L29 E47 G50 P52P5-W24 HydrophobicContact CB-CH2 4.45Å; P5-W24 HydrophobicContact CB-CZ2 4.47Å; P5-W24 HydrophobicContact CG-CD2 4.07Å; P5-W24 HydrophobicContact CG-CE3 4.25Å; P5-W24 HydrophobicContact CG-CH2 3.56Å; P5-W24 HydrophobicContact CG-CZ2 3.31Å; P5-W24 HydrophobicContact CG-CZ3 4.02Å; A6-W24 HydrophobicContact CB-CE3 4.11Å; A6-W24 HydrophobicContact CB-CH2 4.38Å; A6-W24 HydrophobicContact CB-CZ3 3.47Å; A6-W24 VanDerWaalsContact CB-CZ3 3.47Å; V11-W24 WeakPolarHBondContact CG1-O 3.39Å; K17-W24 HydrophobicContact CB-CB 4.31Å; K17-W24 PolarHBondContact N-O 2.79Å; K17-W24 PolarHBondContact O-N 3.48Å; W24-L29 HydrophobicContact CB-CD1 3.62Å; W24-L29 HydrophobicContact CD2-CD1 3.77Å; W24-L29 HydrophobicContact CE3-CD1 4.04Å; W24-L29 HydrophobicContact CG-CD1 3.59Å; W24-E47 HydrophobicContact CZ2-CG 4.01Å; W24-E47 VanDerWaalsContact CZ2-OE2 3.25Å; W24-E47 WeakPolarHBondContact CZ2-OE2 3.39Å; W24-G50 WeakPolarHBondContact CH2-O 3.41Å; W24-P52 HydrophobicContact CE3-CG 4.14Å; W24-P52 HydrophobicContact CH2-CB 4.33Å; W24-P52 HydrophobicContact CH2-CG 3.94Å; W24-P52 HydrophobicContact CZ3-CB 4.29Å; W24-P52 HydrophobicContact CZ3-CG 3.54Å
25H91.6Very high88Confident9 Ų961.1 Ų61.14%0.04234%0.336CS..EExtended strand (participates in β ladder)trans-75.7144.3166.5-53.997.2000110.5C4 C7 K9 P10 E15 A27 C28 L29C4-H25 WeakPolarHBondContact CB-CE1 3.37Å; C4-H25 WeakPolarHBondContact CB-ND1 3.46Å; C7-H25 PolarHBondContact SG-CE1 3.29Å; C7-H25 PolarHBondContact SG-ND1 2.82Å; K9-H25 PolarHBondContact O-CE1 3.18Å; P10-H25 PolarHBondContact O-NE2 2.97Å; E15-H25 CarbonylContact O-C 3.59Å; E15-H25 WeakPolarHBondContact O-CA 3.36Å; H25-A27 PolarHBondContact O-N 3.26Å; H25-A27 VanDerWaalsContact O-N 3.17Å; H25-C28 HydrophobicContact CB-CB 3.88Å; H25-C28 PolarHBondContact ND1-SG 3.14Å; H25-C28 PolarHBondContact O-N 3.46Å; H25-L29 WeakPolarHBondContact O-CB 3.41Å; H25-L29 PolarHBondContact O-N 3.3Å
26S87.6Confident88.3Confident38 Ų3858.9 Ų58.927%0.26633%0.328SS..THydrogen-bonded Turntrans-47.3-42.3170.5-59.70000112.9E15 K17E15-S26 PolarHBondContact O-N 3.16Å; E15-S26 PolarHBondContact O-OG 3.35Å; K17-S26 VanDerWaalsContact CE-OG 3.31Å; K17-S26 WeakPolarHBondContact CE-OG 3.38Å
27A88.2Confident88.4Confident65 Ų6559.2 Ų59.254%0.53733%0.333SS..THydrogen-bonded Turntrans-79.5-26.9179.100000114.2H25H25-A27 PolarHBondContact O-N 3.26Å; H25-A27 VanDerWaalsContact O-N 3.17Å
28C90.9Very high88.7Confident27 Ų2759.9 Ų59.918%0.18234%0.336CS..THydrogen-bonded Turntrans-79.4-23.1177-68.50000112.3A6 H25 R30A6-C28 HydrophobicContact CB-CB 4.24Å; H25-C28 HydrophobicContact CB-CB 3.88Å; H25-C28 PolarHBondContact ND1-SG 3.14Å; H25-C28 PolarHBondContact O-N 3.46Å; C28-R30 PolarHBondContact O-N 2.84Å
29L90.7Very high89Confident1 Ų161.1 Ų61.11%0.00534%0.343CS..  trans-7765178.4-155.174.8000111.5K17 W24 H25 L40 P42 H45 P52K17-L29 HydrophobicContact CB-CD2 4.14Å; K17-L29 HydrophobicContact CG-CD2 4.26Å; W24-L29 HydrophobicContact CB-CD1 3.62Å; W24-L29 HydrophobicContact CD2-CD1 3.77Å; W24-L29 HydrophobicContact CE3-CD1 4.04Å; W24-L29 HydrophobicContact CG-CD1 3.59Å; H25-L29 WeakPolarHBondContact O-CB 3.41Å; H25-L29 PolarHBondContact O-N 3.3Å; L29-L40 HydrophobicContact CG-CB 4.36Å; L29-L40 WeakPolarHBondContact O-CA 3.23Å; L29-L40 VanDerWaalsContact O-CB 3.25Å; L29-L40 WeakPolarHBondContact O-CB 3.29Å; L29-L40 PolarHBondContact O-N 3.1Å; L29-P42 HydrophobicContact CD2-CB 4.49Å; L29-H45 WeakPolarHBondContact CD1-NE2 3.36Å; L29-H45 WeakPolarHBondContact CD2-CE1 3.48Å; L29-P52 HydrophobicContact CD1-CB 4.14Å
30R92Very high89.4Confident150 Ų15061.2 Ų61.257%0.56634%0.343SS*.BIsolated β-bridgetrans-125148-179.465.8-173179.5-173.2-0.3110.6C28 A32 K38 P52C28-R30 PolarHBondContact O-N 2.84Å; R30-A32 PolarHBondContact O-N 2.64Å; R30-A32 VanDerWaalsContact O-N 3.1Å; R30-K38 CarbonylContact C-O 3.51Å; R30-K38 VanDerWaalsContact CA-O 3.23Å; R30-K38 WeakPolarHBondContact CA-O 3.34Å; R30-K38 WeakPolarHBondContact CB-O 3.48Å; R30-P52 WeakPolarHBondContact O-CG 3.2Å
31C93.6Very high89.9Confident1 Ų160.3 Ų60.31%0.00734%0.344CS..  trans-57.2119.6-177.8-161.40000110.8N33 C36 K37 K38 L40 P52 C54C31-N33 PolarHBondContact O-N 2.89Å; C31-C36 HydrophobicContact CB-CB 3.97Å; C31-C36 VanDerWaalsContact SG-SG 3.61Å; C31-K37 VanDerWaalsContact O-CA 3.29Å; C31-K37 WeakPolarHBondContact O-CA 3.32Å; C31-K38 HydrophobicContact CB-CG 4.26Å; C31-K38 PolarHBondContact N-O 2.86Å; C31-L40 HydrophobicContact CB-CD1 4.43Å; C31-L40 HydrophobicContact CB-CD2 4.17Å; C31-P52 CarbonylContact C-O 3.57Å; C31-P52 WeakPolarHBondContact CA-O 3.31Å; C31-C54 PolarHBondContact SG-N 2.87Å
32A91.2Very high89.6Confident38 Ų3859.6 Ų59.631%0.31433%0.326SS..  trans-70.2-13.5177.200000113R30 E34 R51 P52 Y53R30-A32 PolarHBondContact O-N 2.64Å; R30-A32 VanDerWaalsContact O-N 3.1Å; A32-E34 PolarHBondContact O-N 2.88Å; A32-R51 HydrophobicContact CB-CB 3.7Å; A32-R51 HydrophobicContact CB-CG 4.39Å; A32-P52 PolarHBondContact N-O 3.49Å; A32-Y53 HydrophobicContact CB-CD1 4.42Å; A32-Y53 HydrophobicContact CB-CE1 3.91Å; A32-Y53 HydrophobicContact CB-CE2 4.19Å
33N91.8Very high89.5Confident36 Ų3658 Ų5819%0.19334%0.338CS..SBendtrans-64.4123.4172.2-175.636.6000110.6C31 P35 C36 K37 Y53 C57 L61C31-N33 PolarHBondContact O-N 2.89Å; N33-P35 WeakPolarHBondContact OD1-CD 3.1Å; N33-C36 HydrophobicContact CB-CB 3.84Å; N33-C36 WeakPolarHBondContact O-CA 3.11Å; N33-C36 WeakPolarHBondContact O-CB 3.35Å; N33-C36 PolarHBondContact O-N 2.85Å; N33-K37 PolarHBondContact O-N 3.33Å; N33-Y53 HydrophobicContact CB-CD1 4.12Å; N33-Y53 HydrophobicContact CB-CE1 4.16Å; N33-C57 HydrophobicContact CB-CB 4.1Å; N33-C57 PolarHBondContact ND2-SG 3.35Å; N33-L61 HydrophobicContact CB-CD1 4.12Å
34E89.5Confident89.3Confident142 Ų14260.9 Ų60.966%0.66436%0.36SS*.THydrogen-bonded Turntrans-57.1-50.7-172.1175.2143.694.900115.4A32 C36 K37A32-E34 PolarHBondContact O-N 2.88Å; E34-C36 PolarHBondContact O-N 2.9Å; E34-K37 WeakPolarHBondContact O-CE 3.39Å; E34-K37 WeakPolarHBondContact O-CG 3.14Å; E34-K37 IonicContact OE2-NZ 2.88Å; E34-K37 PolarHBondContact OE2-NZ 3.47Å
35P92.2Very high89.2Confident118 Ų11861.5 Ų61.577%0.76636%0.363SS*.THydrogen-bonded Turntrans-70-9.5176.327-36.6000113.4N33N33-P35 WeakPolarHBondContact OD1-CD 3.1Å
36C92.7Very high89.1Confident31 Ų3162.2 Ų62.221%0.20937%0.369CS..THydrogen-bonded Turntrans-97.6-60-176.9-164.20000111.1C31 N33 E34 K38 C54C31-C36 HydrophobicContact CB-CB 3.97Å; C31-C36 VanDerWaalsContact SG-SG 3.61Å; N33-C36 HydrophobicContact CB-CB 3.84Å; N33-C36 WeakPolarHBondContact O-CA 3.11Å; N33-C36 WeakPolarHBondContact O-CB 3.35Å; N33-C36 PolarHBondContact O-N 2.85Å; E34-C36 PolarHBondContact O-N 2.9Å; C36-K38 PolarHBondContact O-N 3.26Å; C36-K38 PolarHBondContact SG-NZ 2.8Å; C36-C54 VanDerWaalsContact SG-SG 3.63Å
37K89.4Confident89Confident118 Ų11862.3 Ų62.351%0.51337%0.366SS..  trans37.618.2-179.9-71.2-178.6-163.1-178.80116.9C31 N33 E34C31-K37 VanDerWaalsContact O-CA 3.29Å; C31-K37 WeakPolarHBondContact O-CA 3.32Å; N33-K37 PolarHBondContact O-N 3.33Å; E34-K37 WeakPolarHBondContact O-CE 3.39Å; E34-K37 WeakPolarHBondContact O-CG 3.14Å; E34-K37 IonicContact OE2-NZ 2.88Å; E34-K37 PolarHBondContact OE2-NZ 3.47Å
38K91.9Very high89Confident75 Ų7562.6 Ų62.633%0.32636%0.356SS..PPolyproline II helixtrans-77.2150.1-174.666165.7161-95.50111.1R30 C31 C36 L40 C54 M56R30-K38 CarbonylContact C-O 3.51Å; R30-K38 VanDerWaalsContact CA-O 3.23Å; R30-K38 WeakPolarHBondContact CA-O 3.34Å; R30-K38 WeakPolarHBondContact CB-O 3.48Å; C31-K38 HydrophobicContact CB-CG 4.26Å; C31-K38 PolarHBondContact N-O 2.86Å; C36-K38 PolarHBondContact O-N 3.26Å; C36-K38 PolarHBondContact SG-NZ 2.8Å; K38-L40 HydrophobicContact CD-CD2 4.44Å; K38-L40 HydrophobicContact CG-CD2 3.99Å; K38-L40 PolarHBondContact O-N 2.74Å; K38-C54 VanDerWaalsContact CE-SG 3.59Å; K38-M56 PolarHBondContact NZ-SD 2.82Å
39V89.9Confident88.8Confident114 Ų11467.9 Ų67.969%0.69138%0.382SS*.BIsolated β-bridgetrans-64.7130.8171.3-175.30000108.9
40L89.9Confident88.4Confident12 Ų1269.1 Ų69.16%0.06340%0.395CS..PPolyproline II helixtrans-102.6143.1-179.1-52.7178.5000109.9L29 C31 K38 H45 P52 C54L29-L40 HydrophobicContact CG-CB 4.36Å; L29-L40 WeakPolarHBondContact O-CA 3.23Å; L29-L40 VanDerWaalsContact O-CB 3.25Å; L29-L40 WeakPolarHBondContact O-CB 3.29Å; L29-L40 PolarHBondContact O-N 3.1Å; C31-L40 HydrophobicContact CB-CD1 4.43Å; C31-L40 HydrophobicContact CB-CD2 4.17Å; K38-L40 HydrophobicContact CD-CD2 4.44Å; K38-L40 HydrophobicContact CG-CD2 3.99Å; K38-L40 PolarHBondContact O-N 2.74Å; L40-H45 HydrophobicContact CB-CB 3.96Å; L40-H45 HydrophobicContact CD1-CB 3.63Å; L40-H45 HydrophobicContact CG-CB 4.29Å; L40-P52 HydrophobicContact CD1-CB 4.18Å; L40-C54 HydrophobicContact CD2-CB 3.43Å; L40-C54 VanDerWaalsContact CD2-CB 3.43Å
41V84Confident88.2Confident96 Ų9668.8 Ų68.858%0.58239%0.394SS*.PPolyproline II helixtrans-81.3135.9175.7-174.80000108.9G43 S44 H45V41-G43 PolarHBondContact O-N 3.33Å; V41-S44 PolarHBondContact O-N 3.22Å; V41-S44 VanDerWaalsContact O-N 3.14Å; V41-H45 PolarHBondContact O-ND1 2.74Å
42P79.5Confident88.1Confident54 Ų5469 Ų6935%0.35140%0.395SS..THydrogen-bonded Turntrans-53.1128.7171.424.7-37.1000111.2K17 L29K17-P42 HydrophobicContact CB-CB 4.12Å; K17-P42 HydrophobicContact CD-CB 3.73Å; K17-P42 HydrophobicContact CD-CG 3.72Å; K17-P42 HydrophobicContact CG-CB 4.06Å; K17-P42 HydrophobicContact CG-CG 4.39Å; L29-P42 HydrophobicContact CD2-CB 4.49Å
43G82.4Confident88.1Confident67 Ų6768.3 Ų68.369%0.69138%0.384SS*.THydrogen-bonded Turntrans89.7-10.7-178.500000116.3V41V41-G43 PolarHBondContact O-N 3.33Å
44S86Confident88.2Confident85 Ų8566.8 Ų66.859%0.59438%0.377SS*.SBendtrans-117.935.2179.4-64.20000113.8V41V41-S44 PolarHBondContact O-N 3.22Å; V41-S44 VanDerWaalsContact O-N 3.14Å
45H87.7Confident88.3Confident15 Ų1564.9 Ų64.97%0.06937%0.371CS..EExtended strand (participates in β ladder)trans-148.2171.7-178.862.7-83.4000111S19 L29 L40 V41 Y53S19-H45 VanDerWaalsContact CB-NE2 3.31Å; S19-H45 WeakPolarHBondContact CB-NE2 3.42Å; S19-H45 PolarHBondContact OG-CE1 2.82Å; S19-H45 PolarHBondContact OG-NE2 2.93Å; L29-H45 WeakPolarHBondContact CD1-NE2 3.36Å; L29-H45 WeakPolarHBondContact CD2-CE1 3.48Å; L40-H45 HydrophobicContact CB-CB 3.96Å; L40-H45 HydrophobicContact CD1-CB 3.63Å; L40-H45 HydrophobicContact CG-CB 4.29Å; V41-H45 PolarHBondContact O-ND1 2.74Å; H45-Y53 WeakPolarHBondContact CB-O 3.25Å
46S89.5Confident88.2Confident23 Ų2363.5 Ų63.516%0.16136%0.355CS..EExtended strand (participates in β ladder)trans-134.1135.3-178.6-530000110.2Y53 H58S46-Y53 PolarHBondContact N-O 3.42Å; S46-Y53 PolarHBondContact O-N 3.17Å; S46-H58 VanDerWaalsContact CB-CG 3.48Å
47E86.1Confident88.2Confident41 Ų4162.7 Ų62.719%0.19235%0.35CS..EExtended strand (participates in β ladder)trans-80.2136.6168.2-171.5-171.712600110.8M20 K22 W24 R51M20-E47 HydrophobicContact CE-CB 3.92Å; M20-E47 HydrophobicContact SD-CB 3.72Å; M20-E47 PolarHBondContact SD-N 3.26Å; K22-E47 VanDerWaalsContact CD-OE2 3.32Å; K22-E47 WeakPolarHBondContact CD-OE2 3.23Å; W24-E47 HydrophobicContact CZ2-CG 4.01Å; W24-E47 VanDerWaalsContact CZ2-OE2 3.25Å; W24-E47 WeakPolarHBondContact CZ2-OE2 3.39Å; E47-R51 CarbonylContact C-O 3.51Å; E47-R51 WeakPolarHBondContact CA-O 3.46Å
48H87.9Confident88.3Confident71 Ų7159.2 Ų59.233%0.32934%0.336SS..EExtended strand (participates in β ladder)trans-138.5127.7168.5-171.792.9000109.3G50 R51 Y53 F62H48-G50 VanDerWaalsContact C-N 3.25Å; H48-G50 PolarHBondContact O-N 3.27Å; H48-R51 PolarHBondContact N-O 2.83Å; H48-R51 WeakPolarHBondContact O-CB 3.36Å; H48-R51 PolarHBondContact O-N 2.86Å; H48-R51 VanDerWaalsContact O-O 3.11Å; H48-Y53 HydrophobicContact CB-CD2 3.79Å; H48-Y53 HydrophobicContact CB-CE2 3.79Å; H48-F62 HydrophobicContact CB-CD2 3.96Å; H48-F62 HydrophobicContact CB-CE2 3.55Å; H48-F62 HydrophobicContact CB-CZ 3.86Å; H48-F62 AromaticContact CD2-CD1 3.7Å; H48-F62 AromaticContact CD2-CE1 3.11Å; H48-F62 WeakPolarHBondContact CD2-CE1 3.06Å; H48-F62 AromaticContact CD2-CE2 3.75Å; H48-F62 AromaticContact CD2-CZ 3.14Å; H48-F62 WeakPolarHBondContact CD2-CZ 3.43Å; H48-F62 AromaticContact CE1-CD1 3.32Å; H48-F62 WeakPolarHBondContact CE1-CD1 3.13Å; H48-F62 AromaticContact CE1-CE1 3.58Å; H48-F62 AromaticContact CE1-CG 3.74Å; H48-F62 AromaticContact CG-CD1 3.85Å; H48-F62 AromaticContact CG-CD2 3.73Å; H48-F62 AromaticContact CG-CE1 3.61Å; H48-F62 AromaticContact CG-CE2 3.48Å; H48-F62 VanDerWaalsContact CG-CE2 3.48Å; H48-F62 AromaticContact CG-CG 3.91Å; H48-F62 AromaticContact CG-CZ 3.41Å; H48-F62 VanDerWaalsContact CG-CZ 3.41Å; H48-F62 AromaticContact ND1-CD1 3.63Å; H48-F62 AromaticContact ND1-CD2 3.81Å; H48-F62 AromaticContact ND1-CE1 3.87Å; H48-F62 AromaticContact ND1-CG 3.6Å; H48-F62 AromaticContact NE2-CD1 3.35Å; H48-F62 WeakPolarHBondContact NE2-CD1 3.49Å; H48-F62 AromaticContact NE2-CE1 3.1Å; H48-F62 WeakPolarHBondContact NE2-CE1 3.48Å; H48-F62 AromaticContact NE2-CZ 3.7Å
49D86Confident88.2Confident138 Ų13863.5 Ų63.574%0.73835%0.35SS*.THydrogen-bonded Turntrans5339.6-178.5-158.7-122.4000113.5R51D49-R51 PolarHBondContact O-N 3Å
50G84.2Confident88.1Confident27 Ų2761 Ų6128%0.27834%0.341SS..THydrogen-bonded Turntrans70.613-176.700000114.7W24 H48W24-G50 WeakPolarHBondContact CH2-O 3.41Å; H48-G50 VanDerWaalsContact C-N 3.25Å; H48-G50 PolarHBondContact O-N 3.27Å
51R87.8Confident88.1Confident143 Ų14364.1 Ų64.154%0.5436%0.357SS..EExtended strand (participates in β ladder)trans-121136.4178.8-62.6-177.8-173.1175.63.6111.3A32 E47 H48 D49 Y53A32-R51 HydrophobicContact CB-CB 3.7Å; A32-R51 HydrophobicContact CB-CG 4.39Å; E47-R51 CarbonylContact C-O 3.51Å; E47-R51 WeakPolarHBondContact CA-O 3.46Å; H48-R51 PolarHBondContact N-O 2.83Å; H48-R51 WeakPolarHBondContact O-CB 3.36Å; H48-R51 PolarHBondContact O-N 2.86Å; H48-R51 VanDerWaalsContact O-O 3.11Å; D49-R51 PolarHBondContact O-N 3Å; R51-Y53 HydrophobicContact CB-CE2 3.83Å; R51-Y53 VanDerWaalsContact O-CD2 3.23Å; R51-Y53 WeakPolarHBondContact O-CD2 3.4Å; R51-Y53 WeakPolarHBondContact O-CE2 3.47Å
52P90.8Very high88.3Confident6 Ų663.2 Ų63.24%0.03935%0.345CS..EExtended strand (participates in β ladder)trans-84.8136.9-178.528.7-23.9000111.6W24 L29 R30 C31 A32 L40W24-P52 HydrophobicContact CE3-CG 4.14Å; W24-P52 HydrophobicContact CH2-CB 4.33Å; W24-P52 HydrophobicContact CH2-CG 3.94Å; W24-P52 HydrophobicContact CZ3-CB 4.29Å; W24-P52 HydrophobicContact CZ3-CG 3.54Å; L29-P52 HydrophobicContact CD1-CB 4.14Å; R30-P52 WeakPolarHBondContact O-CG 3.2Å; C31-P52 CarbonylContact C-O 3.57Å; C31-P52 WeakPolarHBondContact CA-O 3.31Å; A32-P52 PolarHBondContact N-O 3.49Å; L40-P52 HydrophobicContact CD1-CB 4.18Å
53Y92Very high88.5Confident22 Ų2261.6 Ų61.69%0.08634%0.339CS..EExtended strand (participates in β ladder)trans-128.1141.9178-67.5-91000110.1A32 N33 H45 S46 H48 R51 C57 L61 F62A32-Y53 HydrophobicContact CB-CD1 4.42Å; A32-Y53 HydrophobicContact CB-CE1 3.91Å; A32-Y53 HydrophobicContact CB-CE2 4.19Å; N33-Y53 HydrophobicContact CB-CD1 4.12Å; N33-Y53 HydrophobicContact CB-CE1 4.16Å; H45-Y53 WeakPolarHBondContact CB-O 3.25Å; S46-Y53 PolarHBondContact N-O 3.42Å; S46-Y53 PolarHBondContact O-N 3.17Å; H48-Y53 HydrophobicContact CB-CD2 3.79Å; H48-Y53 HydrophobicContact CB-CE2 3.79Å; R51-Y53 HydrophobicContact CB-CE2 3.83Å; R51-Y53 VanDerWaalsContact O-CD2 3.23Å; R51-Y53 WeakPolarHBondContact O-CD2 3.4Å; R51-Y53 WeakPolarHBondContact O-CE2 3.47Å; Y53-C57 HydrophobicContact CD1-CB 4.49Å; Y53-L61 HydrophobicContact CD1-CD1 3.89Å; Y53-L61 HydrophobicContact CE1-CD1 3.76Å; Y53-F62 HydrophobicContact CD1-CE2 4.21Å; Y53-F62 AromaticContact CD2-CE2 3.79Å; Y53-F62 HydrophobicContact CD2-CE2 3.79Å; Y53-F62 HydrophobicContact CD2-CZ 4.43Å; Y53-F62 HydrophobicContact CE1-CE2 4.17Å; Y53-F62 HydrophobicContact CE1-CZ 4.35Å; Y53-F62 AromaticContact CE2-CE2 3.74Å; Y53-F62 HydrophobicContact CE2-CE2 3.74Å; Y53-F62 AromaticContact CE2-CZ 3.91Å; Y53-F62 HydrophobicContact CE2-CZ 3.91Å; Y53-F62 HydrophobicContact CG-CE2 4.03Å; Y53-F62 AromaticContact CZ-CE2 3.93Å; Y53-F62 AromaticContact CZ-CZ 3.86Å
54C92.8Very high88.3Confident4 Ų465 Ų653%0.02735%0.349CS..EExtended strand (participates in β ladder)trans-63.1150.416955.60000110.4C31 C36 K38 L40 M56 C57 H58C31-C54 PolarHBondContact SG-N 2.87Å; C36-C54 VanDerWaalsContact SG-SG 3.63Å; K38-C54 VanDerWaalsContact CE-SG 3.59Å; L40-C54 HydrophobicContact CD2-CB 3.43Å; L40-C54 VanDerWaalsContact CD2-CB 3.43Å; C54-M56 HydrophobicContact CB-CE 4.42Å; C54-M56 HydrophobicContact CB-CG 4.01Å; C54-M56 PolarHBondContact O-N 2.99Å; C54-M56 WeakPolarHBondContact SG-CG 3.46Å; C54-C57 PolarHBondContact O-N 2.85Å; C54-C57 VanDerWaalsContact SG-CB 3.51Å; C54-C57 PolarHBondContact SG-N 3.5Å; C54-C57 VanDerWaalsContact SG-N 3.39Å; C54-C57 PolarHBondContact SG-SG 2.99Å; C54-H58 WeakPolarHBondContact O-CB 3.32Å; C54-H58 PolarHBondContact O-N 3.07Å
55N91Very high87.2Confident102 Ų10268.3 Ų68.355%0.54535%0.353SS..Hα-helixtrans-49.7-37.6179.9-166.126.1000112.8R59N55-R59 WeakPolarHBondContact O-CB 3.31Å; N55-R59 WeakPolarHBondContact O-CG 3.32Å; N55-R59 PolarHBondContact O-N 2.94Å
56M90.8Very high85.7Confident89 Ų8970.7 Ų70.744%0.43838%0.381SS..Hα-helixtrans-68.8-41.3176.861-178.710400115K38 C54 R59 A60K38-M56 PolarHBondContact NZ-SD 2.82Å; C54-M56 HydrophobicContact CB-CE 4.42Å; C54-M56 HydrophobicContact CB-CG 4.01Å; C54-M56 PolarHBondContact O-N 2.99Å; C54-M56 WeakPolarHBondContact SG-CG 3.46Å; M56-R59 VanDerWaalsContact CA-NH1 3.26Å; M56-R59 VanDerWaalsContact O-CG 3.31Å; M56-R59 WeakPolarHBondContact O-CG 3.22Å; M56-A60 WeakPolarHBondContact O-CB 3.45Å; M56-A60 PolarHBondContact O-N 3.07Å; M56-A60 VanDerWaalsContact O-N 3.15Å
57C92.2Very high84.2Confident14 Ų1480.9 Ų80.910%0.09542%0.417CS..Hα-helixtrans-77.8-37.5175.9-69.10000110.6N33 Y53 C54 R59 A60 L61N33-C57 HydrophobicContact CB-CB 4.1Å; N33-C57 PolarHBondContact ND2-SG 3.35Å; Y53-C57 HydrophobicContact CD1-CB 4.49Å; C54-C57 PolarHBondContact O-N 2.85Å; C54-C57 VanDerWaalsContact SG-CB 3.51Å; C54-C57 PolarHBondContact SG-N 3.5Å; C54-C57 VanDerWaalsContact SG-N 3.39Å; C54-C57 PolarHBondContact SG-SG 2.99Å; C57-R59 PolarHBondContact O-N 2.93Å; C57-A60 PolarHBondContact O-N 3.15Å; C57-A60 VanDerWaalsContact O-N 3.16Å; C57-L61 HydrophobicContact CB-CD1 4.22Å; C57-L61 VanDerWaalsContact O-CB 3.23Å; C57-L61 WeakPolarHBondContact O-CB 3.25Å; C57-L61 VanDerWaalsContact O-CG 3.22Å; C57-L61 WeakPolarHBondContact O-CG 3.42Å; C57-L61 PolarHBondContact O-N 3.35Å
58H91.1Very high82.7Confident46 Ų4681.2 Ų81.221%0.21343%0.432CS..Hα-helixtrans-58.1-48.9176-172.4-100.4000110.7S46 C54 A60 F62 G63S46-H58 VanDerWaalsContact CB-CG 3.48Å; C54-H58 WeakPolarHBondContact O-CB 3.32Å; C54-H58 PolarHBondContact O-N 3.07Å; H58-A60 VanDerWaalsContact C-N 3.35Å; H58-A60 PolarHBondContact O-N 3.41Å; H58-F62 AromaticContact CD2-CD2 3.41Å; H58-F62 VanDerWaalsContact CD2-CD2 3.41Å; H58-F62 WeakPolarHBondContact CD2-CD2 3.08Å; H58-F62 AromaticContact CD2-CE2 3.98Å; H58-F62 AromaticContact NE2-CD2 3.87Å; H58-F62 WeakPolarHBondContact O-CA 3.44Å; H58-F62 WeakPolarHBondContact O-CB 3.49Å; H58-F62 WeakPolarHBondContact O-CD2 3.47Å; H58-F62 PolarHBondContact O-N 3.32Å; H58-G63 PolarHBondContact O-N 3.36Å
59R90Very high81.1Confident164 Ų16487 Ų8762%0.61946%0.459SS*.Hα-helixtrans-65.8-33.7174.681.9175.3-166-101-8.3113.3N55 M56 C57 G63N55-R59 WeakPolarHBondContact O-CB 3.31Å; N55-R59 WeakPolarHBondContact O-CG 3.32Å; N55-R59 PolarHBondContact O-N 2.94Å; M56-R59 VanDerWaalsContact CA-NH1 3.26Å; M56-R59 VanDerWaalsContact O-CG 3.31Å; M56-R59 WeakPolarHBondContact O-CG 3.22Å; C57-R59 PolarHBondContact O-N 2.93Å; R59-G63 WeakPolarHBondContact O-CA 3.34Å; R59-G63 PolarHBondContact O-N 3.4Å
60A89Confident79.3Confident61 Ų6184.7 Ų84.750%0.50447%0.468SS..Hα-helixtrans-78.7-32-17600000112.5M56 C57 H58M56-A60 WeakPolarHBondContact O-CB 3.45Å; M56-A60 PolarHBondContact O-N 3.07Å; M56-A60 VanDerWaalsContact O-N 3.15Å; C57-A60 PolarHBondContact O-N 3.15Å; C57-A60 VanDerWaalsContact O-N 3.16Å; H58-A60 VanDerWaalsContact C-N 3.35Å; H58-A60 PolarHBondContact O-N 3.41Å
61L88.5Confident77.8Confident78 Ų7886.9 Ų86.941%0.40849%0.49SS..Hα-helixtrans-88.5-43.3179.1-64.5169000111.7N33 Y53 C57N33-L61 HydrophobicContact CB-CD1 4.12Å; Y53-L61 HydrophobicContact CD1-CD1 3.89Å; Y53-L61 HydrophobicContact CE1-CD1 3.76Å; C57-L61 HydrophobicContact CB-CD1 4.22Å; C57-L61 VanDerWaalsContact O-CB 3.23Å; C57-L61 WeakPolarHBondContact O-CB 3.25Å; C57-L61 VanDerWaalsContact O-CG 3.22Å; C57-L61 WeakPolarHBondContact O-CG 3.42Å; C57-L61 PolarHBondContact O-N 3.35Å
62F88.8Confident76.2Confident77 Ų7786.3 Ų86.334%0.33850%0.502SS..Hα-helixtrans-119-7.6-172.2-46.3-68.2000114.6H48 Y53 H58H48-F62 HydrophobicContact CB-CD2 3.96Å; H48-F62 HydrophobicContact CB-CE2 3.55Å; H48-F62 HydrophobicContact CB-CZ 3.86Å; H48-F62 AromaticContact CD2-CD1 3.7Å; H48-F62 AromaticContact CD2-CE1 3.11Å; H48-F62 WeakPolarHBondContact CD2-CE1 3.06Å; H48-F62 AromaticContact CD2-CE2 3.75Å; H48-F62 AromaticContact CD2-CZ 3.14Å; H48-F62 WeakPolarHBondContact CD2-CZ 3.43Å; H48-F62 AromaticContact CE1-CD1 3.32Å; H48-F62 WeakPolarHBondContact CE1-CD1 3.13Å; H48-F62 AromaticContact CE1-CE1 3.58Å; H48-F62 AromaticContact CE1-CG 3.74Å; H48-F62 AromaticContact CG-CD1 3.85Å; H48-F62 AromaticContact CG-CD2 3.73Å; H48-F62 AromaticContact CG-CE1 3.61Å; H48-F62 AromaticContact CG-CE2 3.48Å; H48-F62 VanDerWaalsContact CG-CE2 3.48Å; H48-F62 AromaticContact CG-CG 3.91Å; H48-F62 AromaticContact CG-CZ 3.41Å; H48-F62 VanDerWaalsContact CG-CZ 3.41Å; H48-F62 AromaticContact ND1-CD1 3.63Å; H48-F62 AromaticContact ND1-CD2 3.81Å; H48-F62 AromaticContact ND1-CE1 3.87Å; H48-F62 AromaticContact ND1-CG 3.6Å; H48-F62 AromaticContact NE2-CD1 3.35Å; H48-F62 WeakPolarHBondContact NE2-CD1 3.49Å; H48-F62 AromaticContact NE2-CE1 3.1Å; H48-F62 WeakPolarHBondContact NE2-CE1 3.48Å; H48-F62 AromaticContact NE2-CZ 3.7Å; Y53-F62 HydrophobicContact CD1-CE2 4.21Å; Y53-F62 AromaticContact CD2-CE2 3.79Å; Y53-F62 HydrophobicContact CD2-CE2 3.79Å; Y53-F62 HydrophobicContact CD2-CZ 4.43Å; Y53-F62 HydrophobicContact CE1-CE2 4.17Å; Y53-F62 HydrophobicContact CE1-CZ 4.35Å; Y53-F62 AromaticContact CE2-CE2 3.74Å; Y53-F62 HydrophobicContact CE2-CE2 3.74Å; Y53-F62 AromaticContact CE2-CZ 3.91Å; Y53-F62 HydrophobicContact CE2-CZ 3.91Å; Y53-F62 HydrophobicContact CG-CE2 4.03Å; Y53-F62 AromaticContact CZ-CE2 3.93Å; Y53-F62 AromaticContact CZ-CZ 3.86Å; H58-F62 AromaticContact CD2-CD2 3.41Å; H58-F62 VanDerWaalsContact CD2-CD2 3.41Å; H58-F62 WeakPolarHBondContact CD2-CD2 3.08Å; H58-F62 AromaticContact CD2-CE2 3.98Å; H58-F62 AromaticContact NE2-CD2 3.87Å; H58-F62 WeakPolarHBondContact O-CA 3.44Å; H58-F62 WeakPolarHBondContact O-CB 3.49Å; H58-F62 WeakPolarHBondContact O-CD2 3.47Å; H58-F62 PolarHBondContact O-N 3.32Å
63G84.2Confident74.2Confident20 Ų2093.4 Ų93.421%0.20654%0.535CS..SBendtrans-66.1170.7169.500000110.7H58 R59 K65H58-G63 PolarHBondContact O-N 3.36Å; R59-G63 WeakPolarHBondContact O-CA 3.34Å; R59-G63 PolarHBondContact O-N 3.4Å; G63-K65 VanDerWaalsContact C-N 3.3Å; G63-K65 PolarHBondContact O-N 3.22Å
64P77.3Confident72.5Confident140 Ų14098.9 Ų98.991%0.90958%0.577SS**  trans-59.496.5178.425.6-33.4000108.7G66P64-G66 PolarHBondContact O-N 2.71Å
65K62.9Low70.7Confident154 Ų154104.9 Ų104.967%0.6760%0.604SS**  trans-75.285.6172.6-165.4152.7-179.8177.40104.9G63 Y67G63-K65 VanDerWaalsContact C-N 3.3Å; G63-K65 PolarHBondContact O-N 3.22Å; K65-Y67 VanDerWaalsContact C-N 3.31Å; K65-Y67 WeakPolarHBondContact O-CD2 3.05Å; K65-Y67 PolarHBondContact O-N 2.86Å
66G57.8Low69.1Low64 Ų64104.9 Ų104.966%0.6661%0.608SS**  trans-50.8105.6164.200000106.5P64 G68P64-G66 PolarHBondContact O-N 2.71Å; G66-G68 VanDerWaalsContact C-N 3.28Å; G66-G68 PolarHBondContact O-N 3.48Å
67Y57.3Low67.3Low237 Ų237111.2 Ų111.293%0.92963%0.633SS**SBendtrans-58.395.1173-87.6-108.2000107.4K65K65-Y67 VanDerWaalsContact C-N 3.31Å; K65-Y67 WeakPolarHBondContact O-CD2 3.05Å; K65-Y67 PolarHBondContact O-N 2.86Å
68G55.2Low65.8Low48 Ų48118.1 Ų118.150%0.49566%0.664SS.*  trans176.478.1-176.200000108.1G66G66-G68 VanDerWaalsContact C-N 3.28Å; G66-G68 PolarHBondContact O-N 3.48Å
69H52.9Low64Low193 Ų193121.4 Ų121.489%0.89469%0.692SS**  trans-18070.5139.1-74.7149.9000107.4G71H69-G71 VanDerWaalsContact C-N 3.3Å; H69-G71 PolarHBondContact O-N 2.85Å
70G48.3Very low62.6Low90 Ų90117.1 Ų117.193%0.92870%0.699SS**  trans-61.3105.7136.500000106.2
71G52.2Low61.5Low72 Ų72124 Ų12474%0.74272%0.717SS**  trans-147.531.2178.300000110.2H69H69-G71 VanDerWaalsContact C-N 3.3Å; H69-G71 PolarHBondContact O-N 2.85Å
72T54.4Low60Low131 Ų131127.3 Ų127.380%0.80474%0.741SS**  trans-96.996.5153.2179.20000104.6
73E50.5Low59Low156 Ų156130.6 Ų130.673%0.72980%0.796SS**  trans-176.266.6162.7-99.8172.3140.400107.4H75E73-H75 WeakPolarHBondContact CG-ND1 3.17Å; E73-H75 PolarHBondContact O-N 3.04Å; E73-H75 IonicContact OE1-CE1 3.43Å; E73-H75 PolarHBondContact OE1-CE1 3.22Å; E73-H75 IonicContact OE1-ND1 3.67Å
74S54.6Low57.8Low137 Ų137136.1 Ų136.196%0.95883%0.826SS**  trans-8180.4156.6-158.80000106.1
75H55.3Low56.7Low130 Ų130135.9 Ų135.960%0.60282%0.821SS**  trans-111.2111.3169.459.4-109.8000110.2E73E73-H75 WeakPolarHBondContact CG-ND1 3.17Å; E73-H75 PolarHBondContact O-N 3.04Å; E73-H75 IonicContact OE1-CE1 3.43Å; E73-H75 PolarHBondContact OE1-CE1 3.22Å; E73-H75 IonicContact OE1-ND1 3.67Å
76T57.5Low56.4Low102 Ų102134.9 Ų134.963%0.62683%0.83SS**  trans53.794.8141.4-61.10000118.1H78T76-H78 HydrophobicContact CG2-CB 4Å; T76-H78 WeakPolarHBondContact CG2-CD2 3.49Å; T76-H78 PolarHBondContact O-N 3.01Å; T76-H78 VanDerWaalsContact O-N 3.08Å
77F53.6Low56.3Low221 Ų221139.1 Ų139.197%0.96984%0.84SS**  trans-65.896.4148.7-77.3-91.2000108.9
78H59.9Low56.2Low159 Ų159132.9 Ų132.974%0.73683%0.834SS**  trans-94.8129.2164.3-106.8-146.9000110.2T76T76-H78 HydrophobicContact CG2-CB 4Å; T76-H78 WeakPolarHBondContact CG2-CD2 3.49Å; T76-H78 PolarHBondContact O-N 3.01Å; T76-H78 VanDerWaalsContact O-N 3.08Å
79S53.9Low56.3Low116 Ų116138.6 Ų138.681%0.81186%0.857SS**  trans7589.9143.6-52.80000118.4
80G60.1Low56.6Low73 Ų73134.7 Ų134.775%0.75385%0.854SS**  trans-127.8143.6146.800000108.4
81K66.2Low57.2Low207 Ų207138.2 Ų138.290%0.985%0.848SS**  cis-154.1140.84-85.3167.2177.3173.90106
82T58.1Low57.6Low147 Ų147143.7 Ų143.790%0.90286%0.857SS**  trans-58.8134.3160.7-131.30000108.2
83G67.1Low57.9Low145 Ų145144.8 Ų144.8100%1.49586%0.862SS**  trans-132.80162.600000106.9

Retrieved 83 of 83 residues in 64.8 ms (Link to these results)