A0A077ZQU7_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZQU7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 166 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
1M75Confident92.3Very high183 Ų18342.9 Ų42.990%0.90122%0.222SC*.  0117.70-68.2-177.7-176.200108
2T87.4Confident92.4Very high74 Ų7444.2 Ų44.245%0.45424%0.238SC..  trans-86142172.946.30000109Y65T2-Y65 PolarHBondContact O-N 2.77Å; T2-Y65 WeakPolarHBondContact OG1-CD2 3.43Å
3K90.8Very high92.5Very high57 Ų5747.5 Ų47.525%0.24826%0.255CS..EExtended strand (participates in β ladder)trans-122.4140.1173.4-66.3-177.1-175.21710109.1D23 L24 P26 V62 L63 T64K3-D23 CarbonylContact O-C 3.49Å; K3-D23 WeakPolarHBondContact O-CA 3.26Å; K3-D23 PolarHBondContact O-N 3.27Å; K3-L24 HydrophobicContact CB-CB 4.11Å; K3-L24 WeakPolarHBondContact O-CB 3.48Å; K3-L24 PolarHBondContact O-N 3.21Å; K3-P26 HydrophobicContact CD-CB 4.48Å; K3-P26 PolarHBondContact NZ-O 3.4Å; K3-V62 HydrophobicContact CB-CG1 4.14Å; K3-V62 HydrophobicContact CD-CG1 3.99Å; K3-V62 HydrophobicContact CG-CG1 4.34Å; K3-L63 CarbonylContact C-O 3.31Å; K3-L63 WeakPolarHBondContact CA-O 3.15Å; K3-T64 HydrophobicContact CG-CG2 4.23Å
4D93.8Very high92.6Very high9 Ų949.5 Ų49.55%0.04829%0.292CS..EExtended strand (participates in β ladder)trans-116.4153.3169.2-69.8-15.7000108.9K20 Y21 R22 D23 V62 L63 Y65D4-K20 WeakPolarHBondContact OD2-CE 3.46Å; D4-K20 IonicContact OD2-NZ 2.79Å; D4-K20 PolarHBondContact OD2-NZ 3.47Å; D4-Y21 CarbonylContact C-O 3.53Å; D4-Y21 WeakPolarHBondContact CA-O 3.43Å; D4-R22 VanDerWaalsContact OD1-CA 3.32Å; D4-R22 WeakPolarHBondContact OD1-CA 3.44Å; D4-D23 PolarHBondContact OD1-N 3.29Å; D4-V62 CarbonylContact O-C 3.43Å; D4-V62 WeakPolarHBondContact O-CA 3.23Å; D4-L63 HydrophobicContact CB-CB 4.3Å; D4-L63 PolarHBondContact N-O 3.08Å; D4-L63 PolarHBondContact O-N 2.67Å; D4-Y65 HydrophobicContact CB-CE2 4.21Å; D4-Y65 VanDerWaalsContact OD2-CE2 3.29Å; D4-Y65 WeakPolarHBondContact OD2-CE2 3.14Å; D4-Y65 PolarHBondContact OD2-OH 2.77Å
5L95.2Very high92.7Very high8 Ų847.9 Ų47.94%0.04229%0.291CS..EExtended strand (participates in β ladder)trans-108.1127.5167.9176.268.9000108.8W19 K20 Y21 L24 I33 A60 V62L5-W19 HydrophobicContact CD2-CZ3 4.23Å; L5-K20 CarbonylContact O-C 3.54Å; L5-K20 WeakPolarHBondContact O-CA 3.15Å; L5-Y21 PolarHBondContact N-O 3.28Å; L5-Y21 PolarHBondContact O-N 3.11Å; L5-L24 HydrophobicContact CB-CD1 4.04Å; L5-L24 HydrophobicContact CB-CD2 4.21Å; L5-L24 HydrophobicContact CD2-CD1 4.38Å; L5-I33 HydrophobicContact CD1-CG2 3.77Å; L5-I33 HydrophobicContact CD2-CG2 3.73Å; L5-I33 HydrophobicContact CG-CG2 4.42Å; L5-A60 HydrophobicContact CD1-CB 4.21Å; L5-V62 HydrophobicContact CD1-CG2 4.17Å
6I95Very high92.9Very high59 Ų5950.5 Ų50.530%0.30331%0.307SS..EExtended strand (participates in β ladder)trans-111.9119.5167.8-60-174.7000107.3K20 A60 K61 L63I6-K20 HydrophobicContact CG1-CD 4.5Å; I6-K20 HydrophobicContact CG1-CG 4.25Å; I6-A60 CarbonylContact O-C 3.51Å; I6-A60 WeakPolarHBondContact O-CA 3.05Å; I6-K61 PolarHBondContact N-O 3.1Å; I6-K61 PolarHBondContact O-N 3.31Å; I6-L63 HydrophobicContact CD1-CD1 3.33Å; I6-L63 HydrophobicContact CD1-CG 4.03Å; I6-L63 HydrophobicContact CG1-CD1 3.98Å; I6-L63 HydrophobicContact CG1-CG 4.31Å
7A95.2Very high93Very high0 Ų050.2 Ų50.20%030%0.301CS..EExtended strand (participates in β ladder)trans-120.1145.7175.700000110.6F9 W19 T59 A60A7-F9 HydrophobicContact CB-CD2 4.26Å; A7-F9 HydrophobicContact CB-CE2 3.57Å; A7-F9 HydrophobicContact CB-CZ 4.15Å; A7-W19 HydrophobicContact CB-CE3 4.14Å; A7-W19 PolarHBondContact N-O 3.08Å; A7-W19 PolarHBondContact O-N 2.93Å; A7-W19 VanDerWaalsContact O-O 3.11Å; A7-T59 CarbonylContact C-O 3.51Å; A7-T59 VanDerWaalsContact CA-O 3.27Å; A7-T59 WeakPolarHBondContact CA-O 3.46Å; A7-A60 HydrophobicContact CB-CB 4.31Å
8T96.4Very high93.1Very high25 Ų2553.9 Ų53.915%0.15332%0.319CS..EExtended strand (participates in β ladder)trans-113.6125.4170.2-51.30000107.5T16 H17 N18 V58 T59T8-T16 HydrophobicContact CG2-CG2 4.26Å; T8-H17 WeakPolarHBondContact CA-O 3.41Å; T8-N18 PolarHBondContact OG1-OD1 3.04Å; T8-V58 HydrophobicContact CG2-CB 4.35Å; T8-V58 WeakPolarHBondContact O-CA 3.35Å; T8-V58 WeakPolarHBondContact O-CB 3.4Å; T8-V58 PolarHBondContact O-N 3.17Å; T8-T59 PolarHBondContact N-O 3.01Å; T8-T59 PolarHBondContact O-N 3.18Å; T8-T59 VanDerWaalsContact O-N 3.11Å; T8-T59 PolarHBondContact OG1-OG1 2.69Å
9F96Very high93.1Very high0 Ų054.8 Ų54.80%032%0.317CS..EExtended strand (participates in β ladder)trans-108149.1174-65.2-94.5000109.9A7 T16 H17 W19 C37 L40 T41 F54 S56 V57A7-F9 HydrophobicContact CB-CD2 4.26Å; A7-F9 HydrophobicContact CB-CE2 3.57Å; A7-F9 HydrophobicContact CB-CZ 4.15Å; F9-T16 CarbonylContact O-C 3.56Å; F9-T16 VanDerWaalsContact O-CA 3.28Å; F9-T16 WeakPolarHBondContact O-CA 3.43Å; F9-H17 PolarHBondContact N-O 2.69Å; F9-H17 PolarHBondContact O-N 3.24Å; F9-W19 HydrophobicContact CD2-CB 4.14Å; F9-W19 HydrophobicContact CE2-CB 4Å; F9-W19 HydrophobicContact CE2-CD2 4.36Å; F9-W19 AromaticContact CE2-CE3 3.88Å; F9-W19 HydrophobicContact CE2-CE3 3.88Å; F9-W19 HydrophobicContact CE2-CG 4.45Å; F9-W19 HydrophobicContact CZ-CE3 4.37Å; F9-C37 HydrophobicContact CE1-CB 4.13Å; F9-C37 HydrophobicContact CZ-CB 4.09Å; F9-L40 HydrophobicContact CE1-CB 4.47Å; F9-L40 HydrophobicContact CZ-CD1 4.09Å; F9-T41 HydrophobicContact CD1-CG2 3.92Å; F9-T41 HydrophobicContact CE1-CG2 4.1Å; F9-F54 HydrophobicContact CB-CD1 4.28Å; F9-F54 HydrophobicContact CD1-CB 4.24Å; F9-F54 AromaticContact CD1-CD1 3.64Å; F9-F54 HydrophobicContact CD1-CD1 3.64Å; F9-F54 HydrophobicContact CD1-CG 4.39Å; F9-F54 AromaticContact CD2-CD1 3.49Å; F9-F54 HydrophobicContact CD2-CD1 3.49Å; F9-F54 VanDerWaalsContact CD2-CD1 3.49Å; F9-F54 AromaticContact CD2-CE1 3.62Å; F9-F54 HydrophobicContact CD2-CE1 3.62Å; F9-F54 AromaticContact CE1-CD1 3.7Å; F9-F54 HydrophobicContact CE1-CD1 3.7Å; F9-F54 HydrophobicContact CE1-CE1 4.46Å; F9-F54 AromaticContact CE2-CD1 3.57Å; F9-F54 HydrophobicContact CE2-CD1 3.57Å; F9-F54 AromaticContact CE2-CE1 3.54Å; F9-F54 HydrophobicContact CE2-CE1 3.54Å; F9-F54 AromaticContact CG-CD1 3.52Å; F9-F54 HydrophobicContact CG-CD1 3.52Å; F9-F54 HydrophobicContact CG-CE1 4.15Å; F9-F54 HydrophobicContact CG-CG 4.37Å; F9-F54 AromaticContact CZ-CD1 3.68Å; F9-F54 HydrophobicContact CZ-CD1 3.68Å; F9-F54 AromaticContact CZ-CE1 3.99Å; F9-F54 HydrophobicContact CZ-CE1 3.99Å; F9-S56 CarbonylContact C-O 3.49Å; F9-S56 WeakPolarHBondContact CA-O 3.28Å; F9-S56 WeakPolarHBondContact CB-O 3.25Å; F9-V57 HydrophobicContact CD1-CG2 4.16Å; F9-V57 HydrophobicContact CE1-CG2 3.84Å
10G95Very high93.2Very high8 Ų857.1 Ų57.18%0.08232%0.322CS..EExtended strand (participates in β ladder)trans-76.2141.9163.500000108.7D55 S56G10-D55 VanDerWaalsContact O-CB 3.28Å; G10-D55 WeakPolarHBondContact O-CB 3.44Å; G10-D55 PolarHBondContact O-N 2.85Å; G10-S56 PolarHBondContact N-O 2.94Å; G10-S56 PolarHBondContact O-N 3.22Å
11K95.1Very high93.2Very high49 Ų4957.4 Ų57.421%0.21332%0.319CS..  trans-96.1157.6171.3-65.2-171.7-68.7147.50109.6D13 G14 G15 T16 H17 V51 K52 L53K11-D13 WeakPolarHBondContact CB-OD1 3.39Å; K11-D13 WeakPolarHBondContact CE-OD1 3.28Å; K11-D13 VanDerWaalsContact NZ-CG 3.29Å; K11-D13 IonicContact NZ-OD1 2.83Å; K11-D13 PolarHBondContact NZ-OD1 3.43Å; K11-D13 IonicContact NZ-OD2 3.04Å; K11-D13 PolarHBondContact NZ-OD2 2.67Å; K11-D13 PolarHBondContact O-N 2.91Å; K11-D13 VanDerWaalsContact O-N 3.16Å; K11-G14 PolarHBondContact O-N 2.79Å; K11-G14 VanDerWaalsContact O-N 3.08Å; K11-G15 PolarHBondContact N-O 3.31Å; K11-T16 WeakPolarHBondContact CE-O 3.27Å; K11-H17 HydrophobicContact CD-CB 4.31Å; K11-H17 HydrophobicContact CG-CB 3.89Å; K11-V51 HydrophobicContact CB-CG1 4.08Å; K11-V51 HydrophobicContact CD-CG1 4.4Å; K11-K52 VanDerWaalsContact CA-O 3.25Å; K11-K52 WeakPolarHBondContact CA-O 3.48Å; K11-L53 HydrophobicContact CD-CD2 4.03Å; K11-L53 HydrophobicContact CG-CD2 4.47Å
12S93.5Very high94.1Very high58 Ų5855.3 Ų55.341%0.40630%0.301SS..THydrogen-bonded Turntrans-67.4-13.1176.865.90000114G14 K52S12-G14 VanDerWaalsContact C-N 3.3Å; S12-K52 PolarHBondContact N-O 3.48Å; S12-K52 VanDerWaalsContact N-O 3.11Å; S12-K52 PolarHBondContact OG-N 2.95Å
13D94Very high94.3Very high88 Ų8857.3 Ų57.347%0.47131%0.309SS..THydrogen-bonded Turntrans-87.55.1174.269.4-7.1000113.4K11 G15 V51K11-D13 WeakPolarHBondContact CB-OD1 3.39Å; K11-D13 WeakPolarHBondContact CE-OD1 3.28Å; K11-D13 VanDerWaalsContact NZ-CG 3.29Å; K11-D13 IonicContact NZ-OD1 2.83Å; K11-D13 PolarHBondContact NZ-OD1 3.43Å; K11-D13 IonicContact NZ-OD2 3.04Å; K11-D13 PolarHBondContact NZ-OD2 2.67Å; K11-D13 PolarHBondContact O-N 2.91Å; K11-D13 VanDerWaalsContact O-N 3.16Å; D13-G15 VanDerWaalsContact C-N 3.28Å; D13-G15 PolarHBondContact O-N 2.98Å; D13-G15 PolarHBondContact OD1-N 2.92Å; D13-V51 HydrophobicContact CB-CG1 3.79Å; D13-V51 HydrophobicContact CB-CG2 4.17Å
14G93.8Very high94.4Very high75 Ų7555.1 Ų55.177%0.77330%0.3SS*.SBendtrans82.5-2.9-176.100000114.5K11 S12K11-G14 PolarHBondContact O-N 2.79Å; K11-G14 VanDerWaalsContact O-N 3.08Å; S12-G14 VanDerWaalsContact C-N 3.3Å
15G94.8Very high94.3Very high26 Ų2657 Ų5727%0.26831%0.31SS..  trans-82.4-174.1172.900000113.1K11 D13K11-G15 PolarHBondContact N-O 3.31Å; D13-G15 VanDerWaalsContact C-N 3.28Å; D13-G15 PolarHBondContact O-N 2.98Å; D13-G15 PolarHBondContact OD1-N 2.92Å
16T95.8Very high93.9Very high89 Ų8960 Ų6055%0.54633%0.33SS..EExtended strand (participates in β ladder)trans-118154.717558.70000111.9T8 F9 K11T8-T16 HydrophobicContact CG2-CG2 4.26Å; F9-T16 CarbonylContact O-C 3.56Å; F9-T16 VanDerWaalsContact O-CA 3.28Å; F9-T16 WeakPolarHBondContact O-CA 3.43Å; K11-T16 WeakPolarHBondContact CE-O 3.27Å
17H93.7Very high93.7Very high45 Ų4563.3 Ų63.321%0.20835%0.349CS..EExtended strand (participates in β ladder)trans-127.2116.3176-179.564000109.9T8 F9 K11 L53 F54T8-H17 WeakPolarHBondContact CA-O 3.41Å; F9-H17 PolarHBondContact N-O 2.69Å; F9-H17 PolarHBondContact O-N 3.24Å; K11-H17 HydrophobicContact CD-CB 4.31Å; K11-H17 HydrophobicContact CG-CB 3.89Å; H17-L53 WeakPolarHBondContact CB-O 3.49Å; H17-F54 AromaticContact CD2-CZ 3.96Å; H17-F54 AromaticContact NE2-CZ 3.96Å
18N94.9Very high93.5Very high117 Ų11765.7 Ų65.763%0.62636%0.361SS*.EExtended strand (participates in β ladder)trans-87.2120.7175.4-68.6-36.8000110T8T8-N18 PolarHBondContact OG1-OD1 3.04Å
19W94.2Very high93.4Very high72 Ų7267.8 Ų67.827%0.27337%0.374SS..EExtended strand (participates in β ladder)trans-116.9133.6179.5-175.965.3000110.5L5 A7 F9 Y21 L40 F54L5-W19 HydrophobicContact CD2-CZ3 4.23Å; A7-W19 HydrophobicContact CB-CE3 4.14Å; A7-W19 PolarHBondContact N-O 3.08Å; A7-W19 PolarHBondContact O-N 2.93Å; A7-W19 VanDerWaalsContact O-O 3.11Å; F9-W19 HydrophobicContact CD2-CB 4.14Å; F9-W19 HydrophobicContact CE2-CB 4Å; F9-W19 HydrophobicContact CE2-CD2 4.36Å; F9-W19 AromaticContact CE2-CE3 3.88Å; F9-W19 HydrophobicContact CE2-CE3 3.88Å; F9-W19 HydrophobicContact CE2-CG 4.45Å; F9-W19 HydrophobicContact CZ-CE3 4.37Å; W19-Y21 HydrophobicContact CH2-CD2 4.16Å; W19-Y21 HydrophobicContact CH2-CG 4.3Å; W19-Y21 HydrophobicContact CZ2-CD2 4.14Å; W19-L40 HydrophobicContact CE3-CD1 4.34Å; W19-L40 HydrophobicContact CH2-CD1 3.8Å; W19-L40 HydrophobicContact CZ2-CD1 4.36Å; W19-L40 HydrophobicContact CZ3-CD1 3.79Å; W19-F54 HydrophobicContact CB-CE1 4.24Å; W19-F54 HydrophobicContact CD2-CE1 4.28Å; W19-F54 HydrophobicContact CG-CE1 4.04Å; W19-F54 HydrophobicContact CG-CZ 4.22Å
20K95Very high93.3Very high100 Ų10071.5 Ų71.544%0.43540%0.404SS..EExtended strand (participates in β ladder)trans-121.1123.5177-176.4175.1179.9177.90110.1D4 L5 I6 Y65D4-K20 WeakPolarHBondContact OD2-CE 3.46Å; D4-K20 IonicContact OD2-NZ 2.79Å; D4-K20 PolarHBondContact OD2-NZ 3.47Å; L5-K20 CarbonylContact O-C 3.54Å; L5-K20 WeakPolarHBondContact O-CA 3.15Å; I6-K20 HydrophobicContact CG1-CD 4.5Å; I6-K20 HydrophobicContact CG1-CG 4.25Å; K20-Y65 PolarHBondContact NZ-OH 3.16Å
21Y93.4Very high93.3Very high64 Ų6475.5 Ų75.525%0.25143%0.429SS..EExtended strand (participates in β ladder)trans-107.4118.6170.4-176.3-97.7000108.9D4 L5 W19 L24D4-Y21 CarbonylContact C-O 3.53Å; D4-Y21 WeakPolarHBondContact CA-O 3.43Å; L5-Y21 PolarHBondContact N-O 3.28Å; L5-Y21 PolarHBondContact O-N 3.11Å; W19-Y21 HydrophobicContact CH2-CD2 4.16Å; W19-Y21 HydrophobicContact CH2-CG 4.3Å; W19-Y21 HydrophobicContact CZ2-CD2 4.14Å; Y21-L24 HydrophobicContact CD1-CB 4.37Å; Y21-L24 HydrophobicContact CD1-CD1 3.84Å; Y21-L24 HydrophobicContact CE1-CD1 4.09Å
22R93.5Very high93.3Very high138 Ų13877.4 Ų77.452%0.52144%0.439SS..  trans-88.7157.3179.1-71-177.2-73-154.9-1.3110.5D4 L24D4-R22 VanDerWaalsContact OD1-CA 3.32Å; D4-R22 WeakPolarHBondContact OD1-CA 3.44Å; R22-L24 VanDerWaalsContact C-N 3.32Å; R22-L24 PolarHBondContact O-N 3.28Å
23D91.6Very high93.3Very high116 Ų11675.4 Ų75.462%0.6242%0.423SS*.SBendtrans57.545.7174.8-53.2-51.6000112.3K3 D4 D25K3-D23 CarbonylContact O-C 3.49Å; K3-D23 WeakPolarHBondContact O-CA 3.26Å; K3-D23 PolarHBondContact O-N 3.27Å; D4-D23 PolarHBondContact OD1-N 3.29Å; D23-D25 PolarHBondContact O-N 3.17Å
24L92.3Very high93.3Very high11 Ų1177.3 Ų77.36%0.05843%0.427CS..  trans-57.7129.3174.5-17275.6000109.8K3 L5 Y21 R22 P26 L28 I33 V62K3-L24 HydrophobicContact CB-CB 4.11Å; K3-L24 WeakPolarHBondContact O-CB 3.48Å; K3-L24 PolarHBondContact O-N 3.21Å; L5-L24 HydrophobicContact CB-CD1 4.04Å; L5-L24 HydrophobicContact CB-CD2 4.21Å; L5-L24 HydrophobicContact CD2-CD1 4.38Å; Y21-L24 HydrophobicContact CD1-CB 4.37Å; Y21-L24 HydrophobicContact CD1-CD1 3.84Å; Y21-L24 HydrophobicContact CE1-CD1 4.09Å; R22-L24 VanDerWaalsContact C-N 3.32Å; R22-L24 PolarHBondContact O-N 3.28Å; L24-P26 WeakPolarHBondContact O-CD 3.39Å; L24-P26 VanDerWaalsContact O-N 3.16Å; L24-L28 HydrophobicContact CD1-CD1 3.74Å; L24-L28 HydrophobicContact CG-CD1 4.22Å; L24-I33 HydrophobicContact CD2-CD1 3.94Å; L24-V62 HydrophobicContact CD2-CB 4.49Å; L24-V62 HydrophobicContact CD2-CG1 3.89Å; L24-V62 HydrophobicContact CD2-CG2 3.82Å
25D91.2Very high93.4Very high48 Ų4879.2 Ų79.226%0.25742%0.416SS..  trans-56.5121176.2176.7-3.1000109.5D23 N27 L28 L138D23-D25 PolarHBondContact O-N 3.17Å; D25-N27 PolarHBondContact O-N 3.23Å; D25-N27 VanDerWaalsContact O-N 3.09Å; D25-N27 WeakPolarHBondContact OD1-CB 3.35Å; D25-N27 PolarHBondContact OD1-N 3.37Å; D25-N27 PolarHBondContact OD1-ND2 3.22Å; D25-L28 HydrophobicContact CB-CD1 3.85Å; D25-L28 HydrophobicContact CB-CG 3.91Å; D25-L28 WeakPolarHBondContact O-CB 2.91Å; D25-L28 PolarHBondContact O-N 3.2Å; D25-L28 VanDerWaalsContact O-N 3.1Å; D25-L138 HydrophobicContact CB-CD2 4.24Å
26P87.9Confident93.3Very high73 Ų7380.5 Ų80.547%0.47442%0.424SS..THydrogen-bonded Turntrans-64-16.8-174.826.1-36.2000113.9K3 L24K3-P26 HydrophobicContact CD-CB 4.48Å; K3-P26 PolarHBondContact NZ-O 3.4Å; L24-P26 WeakPolarHBondContact O-CD 3.39Å; L24-P26 VanDerWaalsContact O-N 3.16Å
27N91Very high93.2Very high128 Ų12876.3 Ų76.368%0.68440%0.398SS*.THydrogen-bonded Turntrans-85.7-9.4179.3-55.8-60.2000113.5D25 T29D25-N27 PolarHBondContact O-N 3.23Å; D25-N27 VanDerWaalsContact O-N 3.09Å; D25-N27 WeakPolarHBondContact OD1-CB 3.35Å; D25-N27 PolarHBondContact OD1-N 3.37Å; D25-N27 PolarHBondContact OD1-ND2 3.22Å; N27-T29 PolarHBondContact O-N 3.39Å
28L90.8Very high93.2Very high49 Ų4978 Ų7826%0.25741%0.406SS..  trans-68.5127.6179.4-73170.5000110.9L24 D25 Q32 I33L24-L28 HydrophobicContact CD1-CD1 3.74Å; L24-L28 HydrophobicContact CG-CD1 4.22Å; D25-L28 HydrophobicContact CB-CD1 3.85Å; D25-L28 HydrophobicContact CB-CG 3.91Å; D25-L28 WeakPolarHBondContact O-CB 2.91Å; D25-L28 PolarHBondContact O-N 3.2Å; D25-L28 VanDerWaalsContact O-N 3.1Å; L28-Q32 HydrophobicContact CD2-CB 4.32Å; L28-I33 HydrophobicContact CB-CD1 4.28Å; L28-I33 HydrophobicContact CB-CG1 4.12Å
29T93.8Very high93.1Very high70 Ų7077.2 Ų77.243%0.42940%0.402SS..  trans-86.4154.5176630000110.8N27 P31 Q32 I33N27-T29 PolarHBondContact O-N 3.39Å; T29-P31 VanDerWaalsContact C-CD 3.46Å; T29-P31 VanDerWaalsContact C-N 3.33Å; T29-Q32 PolarHBondContact O-N 3.45Å; T29-Q32 VanDerWaalsContact O-N 3.08Å; T29-Q32 WeakPolarHBondContact OG1-CG 3.38Å; T29-Q32 PolarHBondContact OG1-OE1 2.83Å; T29-I33 WeakPolarHBondContact O-CG1 3.33Å; T29-I33 PolarHBondContact O-N 3.47Å; T29-I33 VanDerWaalsContact O-N 3.1Å
30A93.6Very high92.9Very high77 Ų7775.6 Ų75.664%0.63640%0.398SS*.Hα-helixtrans-54.1-40.2178.400000114Q32 I33 K34A30-Q32 PolarHBondContact O-N 2.77Å; A30-I33 PolarHBondContact O-N 2.78Å; A30-K34 PolarHBondContact O-N 3.34Å
31P95.8Very high92.8Very high92 Ų9272.1 Ų72.160%0.59739%0.385SS*.Hα-helixtrans-60.6-40.7174.8-25.335.8000113.7T29 K34 E35T29-P31 VanDerWaalsContact C-CD 3.46Å; T29-P31 VanDerWaalsContact C-N 3.33Å; P31-K34 WeakPolarHBondContact O-CB 3.45Å; P31-K34 PolarHBondContact O-N 2.88Å; P31-E35 PolarHBondContact O-N 3.26Å
32Q94.3Very high92.6Very high90 Ų9074.9 Ų74.942%0.42140%0.404SS..Hα-helixtrans-67-38.6178.2-69.4168.9-52.300111.7L28 T29 A30 K34 E35 A36L28-Q32 HydrophobicContact CD2-CB 4.32Å; T29-Q32 PolarHBondContact O-N 3.45Å; T29-Q32 VanDerWaalsContact O-N 3.08Å; T29-Q32 WeakPolarHBondContact OG1-CG 3.38Å; T29-Q32 PolarHBondContact OG1-OE1 2.83Å; A30-Q32 PolarHBondContact O-N 2.77Å; Q32-K34 VanDerWaalsContact C-N 3.33Å; Q32-E35 PolarHBondContact O-N 3.1Å; Q32-A36 WeakPolarHBondContact O-CB 3.45Å; Q32-A36 PolarHBondContact O-N 3.5Å
33I94.3Very high92.3Very high15 Ų1572.1 Ų72.18%0.07740%0.399CS..Hα-helixtrans-64.1-42175.3-63.8167.8000110.2L5 L24 L28 T29 A30 A36 C37 V62L5-I33 HydrophobicContact CD1-CG2 3.77Å; L5-I33 HydrophobicContact CD2-CG2 3.73Å; L5-I33 HydrophobicContact CG-CG2 4.42Å; L24-I33 HydrophobicContact CD2-CD1 3.94Å; L28-I33 HydrophobicContact CB-CD1 4.28Å; L28-I33 HydrophobicContact CB-CG1 4.12Å; T29-I33 WeakPolarHBondContact O-CG1 3.33Å; T29-I33 PolarHBondContact O-N 3.47Å; T29-I33 VanDerWaalsContact O-N 3.1Å; A30-I33 PolarHBondContact O-N 2.78Å; I33-A36 PolarHBondContact O-N 2.84Å; I33-C37 PolarHBondContact O-N 3Å; I33-C37 PolarHBondContact O-SG 2.73Å; I33-V62 HydrophobicContact CD1-CG2 3.84Å
34K94.5Very high91.8Very high128 Ų12871.2 Ų71.256%0.55740%0.395SS*.Hα-helixtrans-61.3-49.3176.2-176.7174.9-175-74.80111.5A30 P31 Q32 A36 C37 E38A30-K34 PolarHBondContact O-N 3.34Å; P31-K34 WeakPolarHBondContact O-CB 3.45Å; P31-K34 PolarHBondContact O-N 2.88Å; Q32-K34 VanDerWaalsContact C-N 3.33Å; K34-A36 VanDerWaalsContact C-N 3.33Å; K34-A36 PolarHBondContact O-N 2.77Å; K34-C37 PolarHBondContact O-N 3.4Å; K34-C37 VanDerWaalsContact O-N 3.13Å; K34-E38 IonicContact NZ-OE1 2.66Å; K34-E38 PolarHBondContact NZ-OE1 3.22Å; K34-E38 WeakPolarHBondContact O-CG 3.32Å; K34-E38 PolarHBondContact O-N 2.89Å
35E94.7Very high91.5Very high116 Ų11677 Ų7754%0.54242%0.424SS..Hα-helixtrans-58.2-44.5176.6-174.8-179.5-176.600111.4P31 Q32 C37 E38 L39P31-E35 PolarHBondContact O-N 3.26Å; Q32-E35 PolarHBondContact O-N 3.1Å; E35-C37 VanDerWaalsContact C-N 3.33Å; E35-C37 PolarHBondContact O-N 3.42Å; E35-E38 PolarHBondContact O-N 3.4Å; E35-L39 WeakPolarHBondContact O-CG 3.27Å; E35-L39 PolarHBondContact O-N 3.04Å
36A92.9Very high91.3Very high52 Ų5276.5 Ų76.543%0.4342%0.424SS..Hα-helixtrans-62.2-38.2176.100000112.9Q32 I33 K34 L39 L40Q32-A36 WeakPolarHBondContact O-CB 3.45Å; Q32-A36 PolarHBondContact O-N 3.5Å; I33-A36 PolarHBondContact O-N 2.84Å; K34-A36 VanDerWaalsContact C-N 3.33Å; K34-A36 PolarHBondContact O-N 2.77Å; A36-L39 PolarHBondContact O-N 3.13Å; A36-L40 WeakPolarHBondContact O-CG 3.4Å; A36-L40 PolarHBondContact O-N 2.83Å; A36-L40 VanDerWaalsContact O-N 3.1Å
37C93.5Very high91.4Very high2 Ų276.6 Ų76.61%0.01442%0.423CS..Hα-helixtrans-67.5-38.2175.3-650000112F9 I33 K34 E35 L40 T41 V57F9-C37 HydrophobicContact CE1-CB 4.13Å; F9-C37 HydrophobicContact CZ-CB 4.09Å; I33-C37 PolarHBondContact O-N 3Å; I33-C37 PolarHBondContact O-SG 2.73Å; K34-C37 PolarHBondContact O-N 3.4Å; K34-C37 VanDerWaalsContact O-N 3.13Å; E35-C37 VanDerWaalsContact C-N 3.33Å; E35-C37 PolarHBondContact O-N 3.42Å; C37-L40 WeakPolarHBondContact O-CB 3.44Å; C37-L40 PolarHBondContact O-N 2.84Å; C37-T41 PolarHBondContact O-N 2.92Å; C37-V57 HydrophobicContact CB-CG1 4.03Å; C37-V57 HydrophobicContact CB-CG2 3.82Å
38E93.5Very high91.2Very high81 Ų8174 Ų7438%0.37941%0.407SS..Hα-helixtrans-67.4-35.3174.9-70.6169.3179.700111.9K34 E35 L40 T41 N42 V57K34-E38 IonicContact NZ-OE1 2.66Å; K34-E38 PolarHBondContact NZ-OE1 3.22Å; K34-E38 WeakPolarHBondContact O-CG 3.32Å; K34-E38 PolarHBondContact O-N 2.89Å; E35-E38 PolarHBondContact O-N 3.4Å; E38-L40 VanDerWaalsContact C-N 3.33Å; E38-L40 PolarHBondContact O-N 3.35Å; E38-T41 WeakPolarHBondContact CA-OG1 3.29Å; E38-T41 PolarHBondContact O-N 2.8Å; E38-T41 PolarHBondContact O-OG1 3.29Å; E38-N42 PolarHBondContact O-N 3.33Å; E38-N42 PolarHBondContact O-ND2 2.97Å; E38-V57 HydrophobicContact CG-CG2 4.5Å
39L93.4Very high91.2Very high100 Ų10079.3 Ų79.352%0.52444%0.436SS..Hα-helixtrans-63.5-40.3171.7-71.1172.2000111.3E35 A36 T41 N42 L43E35-L39 WeakPolarHBondContact O-CG 3.27Å; E35-L39 PolarHBondContact O-N 3.04Å; A36-L39 PolarHBondContact O-N 3.13Å; L39-T41 VanDerWaalsContact C-N 3.26Å; L39-T41 PolarHBondContact O-N 3.49Å; L39-N42 PolarHBondContact O-N 3.18Å; L39-N42 VanDerWaalsContact O-N 3.17Å; L39-L43 WeakPolarHBondContact O-CG 3.47Å; L39-L43 PolarHBondContact O-N 3.37Å
40L91.1Very high90.9Very high38 Ų3879.2 Ų79.220%0.19945%0.448CS..Hα-helixtrans-61.2-34.5174.8-71.7171.6000112.3F9 W19 A36 C37 E38 N42 L43 F54F9-L40 HydrophobicContact CE1-CB 4.47Å; F9-L40 HydrophobicContact CZ-CD1 4.09Å; W19-L40 HydrophobicContact CE3-CD1 4.34Å; W19-L40 HydrophobicContact CH2-CD1 3.8Å; W19-L40 HydrophobicContact CZ2-CD1 4.36Å; W19-L40 HydrophobicContact CZ3-CD1 3.79Å; A36-L40 WeakPolarHBondContact O-CG 3.4Å; A36-L40 PolarHBondContact O-N 2.83Å; A36-L40 VanDerWaalsContact O-N 3.1Å; C37-L40 WeakPolarHBondContact O-CB 3.44Å; C37-L40 PolarHBondContact O-N 2.84Å; E38-L40 VanDerWaalsContact C-N 3.33Å; E38-L40 PolarHBondContact O-N 3.35Å; L40-N42 VanDerWaalsContact C-N 3.31Å; L40-L43 HydrophobicContact CD2-CD1 4.36Å; L40-L43 PolarHBondContact O-N 3.11Å; L40-F54 HydrophobicContact CB-CD1 4.21Å; L40-F54 HydrophobicContact CD1-CE1 4.43Å
41T91.3Very high90.8Very high26 Ų2677.1 Ų77.116%0.1643%0.428CS..Hα-helixtrans-73-23.5176.953.20000113.9F9 C37 E38 L39 L43 F54 V57F9-T41 HydrophobicContact CD1-CG2 3.92Å; F9-T41 HydrophobicContact CE1-CG2 4.1Å; C37-T41 PolarHBondContact O-N 2.92Å; E38-T41 WeakPolarHBondContact CA-OG1 3.29Å; E38-T41 PolarHBondContact O-N 2.8Å; E38-T41 PolarHBondContact O-OG1 3.29Å; L39-T41 VanDerWaalsContact C-N 3.26Å; L39-T41 PolarHBondContact O-N 3.49Å; T41-L43 VanDerWaalsContact C-N 3.3Å; T41-F54 VanDerWaalsContact CA-O 3.27Å; T41-F54 WeakPolarHBondContact CA-O 3.49Å; T41-F54 HydrophobicContact CG2-CB 4.48Å; T41-V57 HydrophobicContact CG2-CG2 3.69Å
42N90.4Very high90.7Very high123 Ų12375.8 Ų75.866%0.65841%0.413SS*.Hα-helixtrans-80.5-15.6173.8-64.1-24.1000112.4E38 L39 L40 D44E38-N42 PolarHBondContact O-N 3.33Å; E38-N42 PolarHBondContact O-ND2 2.97Å; L39-N42 PolarHBondContact O-N 3.18Å; L39-N42 VanDerWaalsContact O-N 3.17Å; L40-N42 VanDerWaalsContact C-N 3.31Å; N42-D44 PolarHBondContact O-N 3.42Å
43L87Confident90.7Very high80 Ų8072.8 Ų72.842%0.41940%0.399SS..  trans-85.597.5179.3-68.7175.7000110.3L39 L40 T41 I45L39-L43 WeakPolarHBondContact O-CG 3.47Å; L39-L43 PolarHBondContact O-N 3.37Å; L40-L43 HydrophobicContact CD2-CD1 4.36Å; L40-L43 PolarHBondContact O-N 3.11Å; T41-L43 VanDerWaalsContact C-N 3.3Å; L43-I45 HydrophobicContact CB-CD1 4.22Å; L43-I45 HydrophobicContact CB-CG1 4.09Å; L43-I45 HydrophobicContact CD1-CD1 4.26Å; L43-I45 PolarHBondContact O-N 2.83Å
44D80.6Confident90.7Very high97 Ų9772.9 Ų72.952%0.51940%0.399SS..THydrogen-bonded Turntrans-70.514175.6-81.3-6.7000114.6N42 K52N42-D44 PolarHBondContact O-N 3.42Å; D44-K52 VanDerWaalsContact OD1-CE 3.23Å; D44-K52 WeakPolarHBondContact OD1-CE 3.5Å; D44-K52 IonicContact OD1-NZ 2.69Å; D44-K52 PolarHBondContact OD1-NZ 2.81Å; D44-K52 IonicContact OD2-NZ 2.67Å; D44-K52 PolarHBondContact OD2-NZ 2.93Å
45I86.3Confident90.6Very high133 Ų13370.4 Ų70.468%0.68239%0.392SS*.THydrogen-bonded Turntrans-84-19.8-178.469.3-172.6000112.7L43 T47L43-I45 HydrophobicContact CB-CD1 4.22Å; L43-I45 HydrophobicContact CB-CG1 4.09Å; L43-I45 HydrophobicContact CD1-CD1 4.26Å; L43-I45 PolarHBondContact O-N 2.83Å; I45-T47 PolarHBondContact O-N 3.16Å
46C86.6Confident90.6Very high36 Ų3667.5 Ų67.524%0.24338%0.384CS..  trans-95.567.4-172.9-67.80000111.2L53 F54C46-L53 WeakPolarHBondContact O-CB 3.4Å; C46-L53 PolarHBondContact O-N 3.36Å; C46-F54 HydrophobicContact CB-CD2 3.28Å; C46-F54 HydrophobicContact CB-CE2 3.56Å; C46-F54 HydrophobicContact CB-CG 4.47Å
47T89.5Confident90.6Very high76 Ų7667.8 Ų67.847%0.46638%0.381SS..EExtended strand (participates in β ladder)trans-105.1143176.858.70000111.8I45 V51 K52I45-T47 PolarHBondContact O-N 3.16Å; T47-V51 CarbonylContact C-O 3.58Å; T47-V51 VanDerWaalsContact CA-O 3.26Å; T47-V51 WeakPolarHBondContact CA-O 3.36Å; T47-K52 HydrophobicContact CG2-CG 4.01Å
48Q88.5Confident90.7Very high72 Ų7271.5 Ų71.534%0.33640%0.403SS..EExtended strand (participates in β ladder)trans-128118.5172.4-173.5176.13.100108.1G50 V51 L53Q48-G50 PolarHBondContact O-N 3.41Å; Q48-V51 PolarHBondContact N-O 3.42Å; Q48-V51 WeakPolarHBondContact O-CB 3.41Å; Q48-V51 PolarHBondContact O-N 2.97Å; Q48-L53 HydrophobicContact CB-CD1 4.12Å; Q48-L53 HydrophobicContact CB-CD2 4.02Å; Q48-L53 HydrophobicContact CB-CG 4.13Å
49N89.6Confident90.7Very high162 Ų16270.7 Ų70.787%0.86640%0.404SS*.THydrogen-bonded Turntrans52.935.8-175.1-55-11.8000113.1V51N49-V51 VanDerWaalsContact C-N 3.28Å; N49-V51 PolarHBondContact O-N 3.29Å
50G88.7Confident90.8Very high67 Ų6768.4 Ų68.469%0.69140%0.399SS*.THydrogen-bonded Turntrans80.3-3.5-176.600000115.4Q48Q48-G50 PolarHBondContact O-N 3.41Å
51V90.9Very high90.9Very high34 Ų3473.3 Ų73.321%0.20642%0.419CS..EExtended strand (participates in β ladder)trans-92.4127.7176-1800000109.8K11 D13 T47 Q48 N49 L53K11-V51 HydrophobicContact CB-CG1 4.08Å; K11-V51 HydrophobicContact CD-CG1 4.4Å; D13-V51 HydrophobicContact CB-CG1 3.79Å; D13-V51 HydrophobicContact CB-CG2 4.17Å; T47-V51 CarbonylContact C-O 3.58Å; T47-V51 VanDerWaalsContact CA-O 3.26Å; T47-V51 WeakPolarHBondContact CA-O 3.36Å; Q48-V51 PolarHBondContact N-O 3.42Å; Q48-V51 WeakPolarHBondContact O-CB 3.41Å; Q48-V51 PolarHBondContact O-N 2.97Å; N49-V51 VanDerWaalsContact C-N 3.28Å; N49-V51 PolarHBondContact O-N 3.29Å; V51-L53 PolarHBondContact O-N 2.66Å
52K92.6Very high91.1Very high64 Ų6475.1 Ų75.128%0.27843%0.43SS..EExtended strand (participates in β ladder)trans-71.2124.2173.9-61.7-177.7179.1-169.20109.4K11 S12 D44 T47K11-K52 VanDerWaalsContact CA-O 3.25Å; K11-K52 WeakPolarHBondContact CA-O 3.48Å; S12-K52 PolarHBondContact N-O 3.48Å; S12-K52 VanDerWaalsContact N-O 3.11Å; S12-K52 PolarHBondContact OG-N 2.95Å; D44-K52 VanDerWaalsContact OD1-CE 3.23Å; D44-K52 WeakPolarHBondContact OD1-CE 3.5Å; D44-K52 IonicContact OD1-NZ 2.69Å; D44-K52 PolarHBondContact OD1-NZ 2.81Å; D44-K52 IonicContact OD2-NZ 2.67Å; D44-K52 PolarHBondContact OD2-NZ 2.93Å; T47-K52 HydrophobicContact CG2-CG 4.01Å
53L94.2Very high91.2Very high26 Ų2672.4 Ų72.414%0.13642%0.415CS..SBendtrans-79.2-25.2179.7-65.2-179.6000113K11 H17 C46 Q48 V51K11-L53 HydrophobicContact CD-CD2 4.03Å; K11-L53 HydrophobicContact CG-CD2 4.47Å; H17-L53 WeakPolarHBondContact CB-O 3.49Å; C46-L53 WeakPolarHBondContact O-CB 3.4Å; C46-L53 PolarHBondContact O-N 3.36Å; Q48-L53 HydrophobicContact CB-CD1 4.12Å; Q48-L53 HydrophobicContact CB-CD2 4.02Å; Q48-L53 HydrophobicContact CB-CG 4.13Å; V51-L53 PolarHBondContact O-N 2.66Å
54F94.2Very high91.5Very high17 Ų1772.1 Ų72.18%0.07542%0.417CS..  trans-121.470.9-177.9-57.1-95.4000108.6F9 H17 W19 L40 T41 C46F9-F54 HydrophobicContact CB-CD1 4.28Å; F9-F54 HydrophobicContact CD1-CB 4.24Å; F9-F54 AromaticContact CD1-CD1 3.64Å; F9-F54 HydrophobicContact CD1-CD1 3.64Å; F9-F54 HydrophobicContact CD1-CG 4.39Å; F9-F54 AromaticContact CD2-CD1 3.49Å; F9-F54 HydrophobicContact CD2-CD1 3.49Å; F9-F54 VanDerWaalsContact CD2-CD1 3.49Å; F9-F54 AromaticContact CD2-CE1 3.62Å; F9-F54 HydrophobicContact CD2-CE1 3.62Å; F9-F54 AromaticContact CE1-CD1 3.7Å; F9-F54 HydrophobicContact CE1-CD1 3.7Å; F9-F54 HydrophobicContact CE1-CE1 4.46Å; F9-F54 AromaticContact CE2-CD1 3.57Å; F9-F54 HydrophobicContact CE2-CD1 3.57Å; F9-F54 AromaticContact CE2-CE1 3.54Å; F9-F54 HydrophobicContact CE2-CE1 3.54Å; F9-F54 AromaticContact CG-CD1 3.52Å; F9-F54 HydrophobicContact CG-CD1 3.52Å; F9-F54 HydrophobicContact CG-CE1 4.15Å; F9-F54 HydrophobicContact CG-CG 4.37Å; F9-F54 AromaticContact CZ-CD1 3.68Å; F9-F54 HydrophobicContact CZ-CD1 3.68Å; F9-F54 AromaticContact CZ-CE1 3.99Å; F9-F54 HydrophobicContact CZ-CE1 3.99Å; H17-F54 AromaticContact CD2-CZ 3.96Å; H17-F54 AromaticContact NE2-CZ 3.96Å; W19-F54 HydrophobicContact CB-CE1 4.24Å; W19-F54 HydrophobicContact CD2-CE1 4.28Å; W19-F54 HydrophobicContact CG-CE1 4.04Å; W19-F54 HydrophobicContact CG-CZ 4.22Å; L40-F54 HydrophobicContact CB-CD1 4.21Å; L40-F54 HydrophobicContact CD1-CE1 4.43Å; T41-F54 VanDerWaalsContact CA-O 3.27Å; T41-F54 WeakPolarHBondContact CA-O 3.49Å; T41-F54 HydrophobicContact CG2-CB 4.48Å; C46-F54 HydrophobicContact CB-CD2 3.28Å; C46-F54 HydrophobicContact CB-CE2 3.56Å; C46-F54 HydrophobicContact CB-CG 4.47Å
55D93.6Very high91.9Very high76 Ų7672 Ų7241%0.40641%0.409SS..SBendtrans-89.5-41.5179.8-169.467.6000111.2G10G10-D55 VanDerWaalsContact O-CB 3.28Å; G10-D55 WeakPolarHBondContact O-CB 3.44Å; G10-D55 PolarHBondContact O-N 2.85Å
56S93.9Very high92Very high55 Ų5573.4 Ų73.439%0.38541%0.411SS..EExtended strand (participates in β ladder)trans-143.6151.6176.155.50000111.9F9 G10F9-S56 CarbonylContact C-O 3.49Å; F9-S56 WeakPolarHBondContact CA-O 3.28Å; F9-S56 WeakPolarHBondContact CB-O 3.25Å; G10-S56 PolarHBondContact N-O 2.94Å; G10-S56 PolarHBondContact O-N 3.22Å
57V93.4Very high92Very high58 Ų5880.8 Ų80.835%0.35244%0.442SS..EExtended strand (participates in β ladder)trans-86.3117.7174.4-171.70000108.9F9 C37 E38 T41F9-V57 HydrophobicContact CD1-CG2 4.16Å; F9-V57 HydrophobicContact CE1-CG2 3.84Å; C37-V57 HydrophobicContact CB-CG1 4.03Å; C37-V57 HydrophobicContact CB-CG2 3.82Å; E38-V57 HydrophobicContact CG-CG2 4.5Å; T41-V57 HydrophobicContact CG2-CG2 3.69Å
58V94.8Very high91.8Very high81 Ų8181.8 Ų81.849%0.49145%0.448SS..EExtended strand (participates in β ladder)trans-95.9-56-179-1800000110.5T8T8-V58 HydrophobicContact CG2-CB 4.35Å; T8-V58 WeakPolarHBondContact O-CA 3.35Å; T8-V58 WeakPolarHBondContact O-CB 3.4Å; T8-V58 PolarHBondContact O-N 3.17Å
59T94.8Very high91.7Very high64 Ų6485 Ų8539%0.39347%0.467SS..EExtended strand (participates in β ladder)trans-147.7157176.160.60000111.8A7 T8A7-T59 CarbonylContact C-O 3.51Å; A7-T59 VanDerWaalsContact CA-O 3.27Å; A7-T59 WeakPolarHBondContact CA-O 3.46Å; T8-T59 PolarHBondContact N-O 3.01Å; T8-T59 PolarHBondContact O-N 3.18Å; T8-T59 VanDerWaalsContact O-N 3.11Å; T8-T59 PolarHBondContact OG1-OG1 2.69Å
60A94.1Very high91.4Very high51 Ų5185.4 Ų85.442%0.42147%0.467SS..EExtended strand (participates in β ladder)trans-142.6137.8170.400000109.8L5 I6 A7L5-A60 HydrophobicContact CD1-CB 4.21Å; I6-A60 CarbonylContact O-C 3.51Å; I6-A60 WeakPolarHBondContact O-CA 3.05Å; A7-A60 HydrophobicContact CB-CB 4.31Å
61K95Very high91.1Very high141 Ų14189.3 Ų89.361%0.61347%0.465SS*.EExtended strand (participates in β ladder)trans-136.5132.4-179.6-62.6-179.3-176.5177.60109.7I6I6-K61 PolarHBondContact N-O 3.1Å; I6-K61 PolarHBondContact O-N 3.31Å
62V94.4Very high90.6Very high64 Ų6489.6 Ų89.639%0.38847%0.465SS..EExtended strand (participates in β ladder)trans-91.4117.9171.3179.20000108.4K3 D4 L5 L24 I33K3-V62 HydrophobicContact CB-CG1 4.14Å; K3-V62 HydrophobicContact CD-CG1 3.99Å; K3-V62 HydrophobicContact CG-CG1 4.34Å; D4-V62 CarbonylContact O-C 3.43Å; D4-V62 WeakPolarHBondContact O-CA 3.23Å; L5-V62 HydrophobicContact CD1-CG2 4.17Å; L24-V62 HydrophobicContact CD2-CB 4.49Å; L24-V62 HydrophobicContact CD2-CG1 3.89Å; L24-V62 HydrophobicContact CD2-CG2 3.82Å; I33-V62 HydrophobicContact CD1-CG2 3.84Å
63L93.1Very high89.9Confident66 Ų6691.1 Ų91.135%0.34648%0.482SS..EExtended strand (participates in β ladder)trans-88131.1169.7-63.7-174.9000108.9K3 D4 I6K3-L63 CarbonylContact C-O 3.31Å; K3-L63 WeakPolarHBondContact CA-O 3.15Å; D4-L63 HydrophobicContact CB-CB 4.3Å; D4-L63 PolarHBondContact N-O 3.08Å; D4-L63 PolarHBondContact O-N 2.67Å; I6-L63 HydrophobicContact CD1-CD1 3.33Å; I6-L63 HydrophobicContact CD1-CG 4.03Å; I6-L63 HydrophobicContact CG1-CD1 3.98Å; I6-L63 HydrophobicContact CG1-CG 4.31Å
64T91.8Very high89.1Confident74 Ų7498.1 Ų98.145%0.45451%0.514SS..EExtended strand (participates in β ladder)trans-116.4123.2173.4-57.50000108.3K3K3-T64 HydrophobicContact CG-CG2 4.23Å
65Y90.8Very high87.8Confident94 Ų94103.9 Ų103.937%0.36954%0.541SS..  trans-89.1128.3175.9-57.3-89000109.7T2 D4 K20T2-Y65 PolarHBondContact O-N 2.77Å; T2-Y65 WeakPolarHBondContact OG1-CD2 3.43Å; D4-Y65 HydrophobicContact CB-CE2 4.21Å; D4-Y65 VanDerWaalsContact OD2-CE2 3.29Å; D4-Y65 WeakPolarHBondContact OD2-CE2 3.14Å; D4-Y65 PolarHBondContact OD2-OH 2.77Å; K20-Y65 PolarHBondContact NZ-OH 3.16Å
66K87.7Confident86.2Confident163 Ų163105 Ų10571%0.70954%0.544SS*.  trans-125.8113.3171.4-175.3-176.1177-172.50107.5
67E85.7Confident84.4Confident191 Ų191108 Ų10889%0.89356%0.56SS**  trans-90.3136.4170.2-69.2172.4-176.700108.1
68T86.8Confident82.4Confident98 Ų98116 Ų11660%0.60158%0.584SS**  trans-145.4122.5177.5-58.90000107.1
69L85.3Confident80.5Confident139 Ų139113.5 Ų113.573%0.72858%0.575SS**  trans-72.6128.1174.4-64.2174.6000108.4
70I83.9Confident78.5Confident170 Ų170115.5 Ų115.587%0.87259%0.587SS**SBendtrans-99.9-29.4175.9-58.6174.4000110.1
71F82Confident76.7Confident149 Ų149119.8 Ų119.865%0.65459%0.592SS**  trans-152.1132.9-179.9177.1-94.9000108.4P73 E76F71-P73 HydrophobicContact CE1-CB 4.45Å; F71-P73 HydrophobicContact CE1-CG 4.3Å; F71-E76 HydrophobicContact CD2-CG 4.49Å; F71-E76 WeakPolarHBondContact CD2-OE1 2.78Å; F71-E76 WeakPolarHBondContact CE1-OE1 3.13Å; F71-E76 HydrophobicContact CE2-CG 4.35Å; F71-E76 WeakPolarHBondContact CE2-OE1 2.74Å; F71-E76 WeakPolarHBondContact CZ-OE1 3.33Å
72D80.3Confident74.9Confident40 Ų40125.1 Ų125.121%0.21461%0.61CS.*  trans-148.6108.5175.1-178.1-5.7000108.8E74 H75 E76D72-E74 PolarHBondContact O-N 2.78Å; D72-E74 VanDerWaalsContact O-N 3.13Å; D72-E74 PolarHBondContact OD1-N 2.96Å; D72-H75 HydrophobicContact CB-CB 4.15Å; D72-H75 CarbonylContact O-C 3.59Å; D72-H75 VanDerWaalsContact O-C 3.31Å; D72-H75 PolarHBondContact O-N 3.01Å; D72-H75 IonicContact OD1-ND1 3.94Å; D72-H75 IonicContact OD2-CE1 3.67Å; D72-H75 IonicContact OD2-CG 3.55Å; D72-H75 IonicContact OD2-ND1 2.71Å; D72-H75 PolarHBondContact OD2-ND1 2.87Å; D72-E76 WeakPolarHBondContact O-CG 3.41Å; D72-E76 PolarHBondContact O-N 2.87Å
73P77.6Confident73.4Confident97 Ų97126.3 Ų126.363%0.6361%0.614SS**THydrogen-bonded Turntrans-64.1-17.2-177.225-32.2000114.1F71 E76F71-P73 HydrophobicContact CE1-CB 4.45Å; F71-P73 HydrophobicContact CE1-CG 4.3Å; P73-E76 WeakPolarHBondContact CA-OE1 3.38Å
74E78.2Confident71.7Confident172 Ų172125.8 Ų125.880%0.80463%0.625SS**THydrogen-bonded Turntrans-85.2-21173.7-61.4-176.2177.500112.5D72D72-E74 PolarHBondContact O-N 2.78Å; D72-E74 VanDerWaalsContact O-N 3.13Å; D72-E74 PolarHBondContact OD1-N 2.96Å
75H66.6Low69.9Low139 Ų139128.2 Ų128.264%0.64463%0.631SS**THydrogen-bonded Turntrans-119.914.6179.9-62.487.5000113.3D72 T77D72-H75 HydrophobicContact CB-CB 4.15Å; D72-H75 CarbonylContact O-C 3.59Å; D72-H75 VanDerWaalsContact O-C 3.31Å; D72-H75 PolarHBondContact O-N 3.01Å; D72-H75 IonicContact OD1-ND1 3.94Å; D72-H75 IonicContact OD2-CE1 3.67Å; D72-H75 IonicContact OD2-CG 3.55Å; D72-H75 IonicContact OD2-ND1 2.71Å; D72-H75 PolarHBondContact OD2-ND1 2.87Å; H75-T77 PolarHBondContact O-N 3.09Å
76E60.6Low68.1Low98 Ų98128.1 Ų128.146%0.45864%0.642SS.*  trans-68.382.1170.3-94.5169.4-12000109.2F71 D72 P73 R78F71-E76 HydrophobicContact CD2-CG 4.49Å; F71-E76 WeakPolarHBondContact CD2-OE1 2.78Å; F71-E76 WeakPolarHBondContact CE1-OE1 3.13Å; F71-E76 HydrophobicContact CE2-CG 4.35Å; F71-E76 WeakPolarHBondContact CE2-OE1 2.74Å; F71-E76 WeakPolarHBondContact CZ-OE1 3.33Å; D72-E76 WeakPolarHBondContact O-CG 3.41Å; D72-E76 PolarHBondContact O-N 2.87Å; P73-E76 WeakPolarHBondContact CA-OE1 3.38Å; E76-R78 VanDerWaalsContact C-N 3.35Å; E76-R78 PolarHBondContact O-N 3.1Å
77T55.8Low66.5Low120 Ų120123.5 Ų123.574%0.73663%0.627SS**  trans-65.1104.3157.252.70000106.7H75 G79H75-T77 PolarHBondContact O-N 3.09Å; T77-G79 PolarHBondContact O-N 3.08Å
78R52.2Low65.1Low225 Ų225122.3 Ų122.385%0.84962%0.622SS**SBendtrans-31.1122.2161-69174.3163.4-167.6-5109.5E76E76-R78 VanDerWaalsContact C-N 3.35Å; E76-R78 PolarHBondContact O-N 3.1Å
79G53.6Low63.4Low29 Ų29124.6 Ų124.630%0.29963%0.625SS.*  trans13112.2168.600000119T77 V87T77-G79 PolarHBondContact O-N 3.08Å; G79-V87 PolarHBondContact O-N 3.13Å
80V53.7Low61.4Low106 Ų106124 Ų12464%0.64263%0.628SS**BIsolated β-bridgetrans-109.4119.1171-179.60000110.1
81R56.6Low59.1Low140 Ų140121.9 Ų121.953%0.52862%0.623SS.*  trans-77.4159.4173-63.9170.363.2-123.6-16.3109.9D83 G84 V87R81-D83 WeakPolarHBondContact CB-OD1 2.86Å; R81-D83 IonicContact CZ-OD1 3.37Å; R81-D83 IonicContact CZ-OD2 3.15Å; R81-D83 IonicContact NE-OD1 3.73Å; R81-D83 IonicContact NH1-OD1 3.57Å; R81-D83 IonicContact NH1-OD2 2.76Å; R81-D83 PolarHBondContact NH1-OD2 3.05Å; R81-D83 IonicContact NH2-OD1 3.48Å; R81-D83 PolarHBondContact NH2-OD1 2.83Å; R81-D83 IonicContact NH2-OD2 3.09Å; R81-D83 PolarHBondContact NH2-OD2 3.34Å; R81-D83 VanDerWaalsContact NH2-OD2 3.09Å; R81-D83 PolarHBondContact O-N 3.38Å; R81-G84 PolarHBondContact O-N 2.95Å; R81-V87 VanDerWaalsContact CD-CG2 3.49Å; R81-V87 HydrophobicContact CG-CG2 3.46Å; R81-V87 VanDerWaalsContact CG-CG2 3.46Å
82Y56.2Low57.3Low253 Ų253121 Ų12199%0.99263%0.633SS**THydrogen-bonded Turntrans-55.8-18.6-178.1-172-98.5000114
83D64.1Low55.9Low90 Ų90127.4 Ų127.448%0.48166%0.662SS.*THydrogen-bonded Turntrans-86.4-2.1175.946.7-27.3000114.9R81 E85R81-D83 WeakPolarHBondContact CB-OD1 2.86Å; R81-D83 IonicContact CZ-OD1 3.37Å; R81-D83 IonicContact CZ-OD2 3.15Å; R81-D83 IonicContact NE-OD1 3.73Å; R81-D83 IonicContact NH1-OD1 3.57Å; R81-D83 IonicContact NH1-OD2 2.76Å; R81-D83 PolarHBondContact NH1-OD2 3.05Å; R81-D83 IonicContact NH2-OD1 3.48Å; R81-D83 PolarHBondContact NH2-OD1 2.83Å; R81-D83 IonicContact NH2-OD2 3.09Å; R81-D83 PolarHBondContact NH2-OD2 3.34Å; R81-D83 VanDerWaalsContact NH2-OD2 3.09Å; R81-D83 PolarHBondContact O-N 3.38Å; D83-E85 VanDerWaalsContact C-N 3.33Å; D83-E85 PolarHBondContact O-N 3.45Å
84G55.9Low54.7Low55 Ų55131.2 Ų131.257%0.56767%0.672SS**SBendtrans80.55.9174.400000115.6R81R81-G84 PolarHBondContact O-N 2.95Å
85E54.1Low52.9Low125 Ų125128.9 Ų128.958%0.58467%0.669SS**  trans-84130.8174.5-74.7-75.9133.600110.5D83 V87D83-E85 VanDerWaalsContact C-N 3.33Å; D83-E85 PolarHBondContact O-N 3.45Å; E85-V87 PolarHBondContact O-N 2.78Å
86P53.7Low51.5Low91 Ų91131.3 Ų131.359%0.59167%0.672SS**BIsolated β-bridgetrans-66.5123.8172.327-30.5000109.4E88P86-E88 PolarHBondContact O-N 3.02Å; P86-E88 VanDerWaalsContact O-N 3.16Å
87V53.1Low50.8Low67 Ų67132.8 Ų132.841%0.40669%0.692SS.*  trans-74.3104.2168177.70000106.6G79 R81 E85 E89G79-V87 PolarHBondContact O-N 3.13Å; R81-V87 VanDerWaalsContact CD-CG2 3.49Å; R81-V87 HydrophobicContact CG-CG2 3.46Å; R81-V87 VanDerWaalsContact CG-CG2 3.46Å; E85-V87 PolarHBondContact O-N 2.78Å; V87-E89 PolarHBondContact O-N 2.71Å
88E56.8Low50.5Low166 Ų166133.7 Ų133.778%0.77669%0.686SS**  trans-64.3105162.8-61.1-152.4-169.200107.3P86 T90P86-E88 PolarHBondContact O-N 3.02Å; P86-E88 VanDerWaalsContact O-N 3.16Å; E88-T90 VanDerWaalsContact C-N 3.25Å; E88-T90 PolarHBondContact O-N 2.82Å
89E51.6Low50.4Low145 Ų145132.4 Ų132.468%0.67869%0.689SS**  trans-6190.3170.9-74.7-176.6156.400108V87 T91V87-E89 PolarHBondContact O-N 2.71Å; E89-T91 PolarHBondContact O-N 3Å
90T42.5Very low49.7Very low128 Ų128137.6 Ų137.679%0.78572%0.715SS**  trans-67.1103.5168.649.40000107.7E88 C92E88-T90 VanDerWaalsContact C-N 3.25Å; E88-T90 PolarHBondContact O-N 2.82Å; T90-C92 PolarHBondContact O-N 3.22Å
91T36.3Very low49.5Very low124 Ų124137.5 Ų137.576%0.76173%0.726SS**  trans-48.1100.2164.5-400000108.6E89 E93E89-T91 PolarHBondContact O-N 3Å; T91-E93 HydrophobicContact CG2-CG 4.22Å; T91-E93 PolarHBondContact O-N 2.89Å
92C43.9Very low48.9Very low130 Ų130139.3 Ų139.388%0.87874%0.74SS**  trans-79.281.9173.7-159.40000106.7T90T90-C92 PolarHBondContact O-N 3.22Å
93E50.7Low48.5Very low175 Ų175136.1 Ų136.182%0.81873%0.731SS**  trans-67135.9170.7-86.8-172166.100110.3T91T91-E93 HydrophobicContact CG2-CG 4.22Å; T91-E93 PolarHBondContact O-N 2.89Å
94E52.6Low47.4Very low178 Ų178140 Ų14083%0.83275%0.746SS**  trans-56.4125.1-166-173.5174.8166.600115.2
95V40.4Very low46.7Very low122 Ų122145.1 Ų145.174%0.73976%0.756SS**  trans37.1104.8134.4-165.60000117.2
96R37.8Very low46.3Very low191 Ų191148.1 Ų148.172%0.72177%0.767SS**  trans-151.286.3141.7-160.3171.8171.2-161.4-3.4111.2F98R96-F98 HydrophobicContact CB-CD2 4.4Å; R96-F98 HydrophobicContact CB-CE2 4.21Å; R96-F98 HydrophobicContact CG-CD2 3.79Å; R96-F98 HydrophobicContact CG-CE2 3.5Å; R96-F98 HydrophobicContact CG-CZ 4.07Å; R96-F98 VanDerWaalsContact NE-CE2 3.26Å; R96-F98 WeakPolarHBondContact O-CD2 3.5Å; R96-F98 PolarHBondContact O-N 3.48Å
97C45.5Very low45.7Very low128 Ų128148.6 Ų148.687%0.86577%0.77SS**  trans-67.8121.8165.8-60.40000108.4
98F50.1Low44.8Very low139 Ų139151 Ų15161%0.6179%0.785SS**  trans-109136.2167.6-71.8-93.1000109.7R96R96-F98 HydrophobicContact CB-CD2 4.4Å; R96-F98 HydrophobicContact CB-CE2 4.21Å; R96-F98 HydrophobicContact CG-CD2 3.79Å; R96-F98 HydrophobicContact CG-CE2 3.5Å; R96-F98 HydrophobicContact CG-CZ 4.07Å; R96-F98 VanDerWaalsContact NE-CE2 3.26Å; R96-F98 WeakPolarHBondContact O-CD2 3.5Å; R96-F98 PolarHBondContact O-N 3.48Å
99E49.8Very low43.9Very low198 Ų198148.5 Ų148.593%0.92578%0.781SS**  trans-58.6135179.1-77.1172142.400112.4
100V39.1Very low44Very low139 Ų139148.1 Ų148.184%0.84279%0.788SS**  trans-82.1113.8176.3173.10000108.6
101A49.5Very low44.1Very low104 Ų104146.1 Ų146.186%0.8679%0.785SS**  trans-92.1111.3162.500000109.1
102E42.5Very low43.9Very low177 Ų177146.6 Ų146.683%0.82779%0.788SS**  trans-81.4124.7-179.2-171.1-174.2-175.200110.9
103K47.9Very low44.1Very low186 Ų186145.9 Ų145.981%0.80978%0.784SS**  trans-176.7113.6138.9-102.4164-177-178.40113.1
104Q42.2Very low43.7Very low171 Ų171147.5 Ų147.580%0.79979%0.789SS**  trans48.6132.3134.9-48.5-166.17.900117.8
105E41.1Very low43.9Very low164 Ų164144.1 Ų144.177%0.76678%0.784SS**  cis-177.5126.347175167.1179.800110.7
106K46.2Very low43.9Very low187 Ų187143.5 Ų143.581%0.81379%0.785SS**  trans61.7158.4145.2-102.9-165.3169.5172.10122.7
107P41Very low44.7Very low101 Ų101140.8 Ų140.866%0.65679%0.79SS**  -129.5-150.5-115.938.3-15.2000111
108T34.1Very low44.7Very low119 Ų119142.5 Ų142.573%0.7379%0.79SS**  trans102.7118.8161.6-41.20000111
109T37Very low44.8Very low112 Ų112141.6 Ų141.669%0.68780%0.798SS**  cis178.1155.73.920000110.2
110V54.6Low44.6Very low137 Ų137136.6 Ų136.683%0.8379%0.79SS**  trans51.8147.7153.3-1050000120.5
111A43.5Very low44.9Very low86 Ų86136.8 Ų136.871%0.71179%0.792SS**  cis-159.8141.37.800000111.1
112T33.1Very low45.3Very low135 Ų135137.7 Ų137.783%0.82879%0.789SS**  trans-48.1148.6149.6-23.60000110.3
113S48Very low45.4Very low115 Ų115141.4 Ų141.480%0.80480%0.795SS**  174154.667.243.10000112.4
114K43.1Very low45.4Very low209 Ų209136.3 Ų136.391%0.90980%0.796SS**  trans-75.8154.3-179.3-58.7166.3175.71750113.7
115S55.5Low46.1Very low106 Ų106139.8 Ų139.874%0.74180%0.802SS**  trans173.2111143-178.70000108.9
116S41.4Very low46.2Very low109 Ų109139.2 Ų139.276%0.76280%0.803SS**  63.695.984.7169.10000115.1
117V53.1Low46.5Very low134 Ų134135.8 Ų135.881%0.81280%0.803SS**  trans-149.4117.2154.9-174.60000110.4
118L46.1Very low46.7Very low165 Ų165139.7 Ų139.786%0.86481%0.809SS**  trans-117.1152144-68.5179.7000104.7
119P52.5Low47.7Very low120 Ų120141.6 Ų141.678%0.77982%0.815SS**  cis-153.3-176.349.837.1-13.4000115.2
120A45Very low47.7Very low92 Ų92148 Ų14876%0.7683%0.826SS**  trans172112.8135.200000112.6
121T46.2Very low47.5Very low143 Ų143147.4 Ų147.488%0.87783%0.825SS**  trans-61.4144.616423.70000113.6
122P58.2Low47.6Very low123 Ų123149.7 Ų149.780%0.79983%0.831SS**  trans-111.1136151.98.712.1000112.6
123R44.9Very low48.1Very low255 Ų255152 Ų15296%0.96283%0.829SS**  trans-64.3123.3173.8-71170.9166.8-179.2-4.8111.2
124G47.9Very low48Very low80 Ų80156 Ų15683%0.82583%0.832SS**  trans-106.9133.5172.100000112.3
125R55.9Low47.9Very low244 Ų244155.6 Ų155.692%0.92183%0.831SS**  trans-72.4156.7-166.7-69.9176.2-173.3-105.6-0.1115.4
126L44Very low47.2Very low151 Ų151156.6 Ų156.679%0.79183%0.832SS**  trans-44.8140.9164.3-74.284.6000113.6
127S50.7Low47.2Very low115 Ų115155.4 Ų155.480%0.80483%0.828SS**  trans-146.5127.2136.153.80000110.2
128K46.7Very low46.6Very low183 Ų183153.5 Ų153.580%0.79681%0.814SS**  trans-83.8123.4178.4-66.3169.4177.4171.60107.5
129N53.7Low46.4Very low159 Ų159157 Ų15785%0.8582%0.815SS**  trans-135.6123.2160.2-83.8-23.3000109.2
130R37.1Very low45.9Very low246 Ų246155.9 Ų155.993%0.92881%0.81SS**  trans-110.2113.7-178.2-169.8-173.7-167.8-165.75.5106.8
131P50.7Low45.9Very low125 Ų125163.3 Ų163.381%0.81282%0.819SS**  trans-97.9149164.923.7-9.4000111.2
132V45.3Very low45.6Very low135 Ų135165.8 Ų165.882%0.81882%0.817SS**  trans-77.9148.8-168.1-179.60000111.4
133K45.2Very low44.9Very low182 Ų182169.7 Ų169.779%0.79182%0.822SS**  trans-41.3130.2-176.9-58.5168.5179.5-178.70114.4
134K44.7Very low44.4Very low201 Ų201168.5 Ų168.587%0.87482%0.817SS**  trans-117.4119152.1-72.6-174.3179.8178.30108
135F41.9Very low44.1Very low200 Ų200168.7 Ų168.788%0.87781%0.806SS**  trans-68.3128.8171.9-84-100.5000109
136V40.6Very low43.1Very low126 Ų126164 Ų16476%0.76480%0.799SS**  trans-119.3117.1166.3173.20000107.1L138V136-L138 PolarHBondContact O-N 2.96Å
137A40.2Very low42.6Very low84 Ų84162.5 Ų162.569%0.69480%0.799SS**  trans-71.1122.7177.900000110.5R139A137-R139 PolarHBondContact O-N 3.47Å
138L41.5Very low41.7Very low95 Ų95167.5 Ų167.550%0.49780%0.801SS.*  trans-68.399.9167.1-89.992.2000109.4D25 V136 S140D25-L138 HydrophobicContact CB-CD2 4.24Å; V136-L138 PolarHBondContact O-N 2.96Å; L138-S140 PolarHBondContact O-N 3.02Å
139R42.1Very low41.3Very low237 Ų237167 Ų16789%0.89481%0.805SS**  trans-79.7105.5165.3-74.9-174.9174.3-171.5-1.2109.1A137 R141A137-R139 PolarHBondContact O-N 3.47Å; R139-R141 PolarHBondContact O-N 2.88Å
140S41.8Very low40.2Very low98 Ų98170.9 Ų170.969%0.68581%0.808SS**  trans-67.4113.9170-84.70000111L138L138-S140 PolarHBondContact O-N 3.02Å
141R45.6Very low40.4Very low247 Ų247166 Ų16693%0.93280%0.801SS**  trans-85.6111.4164.2-82.2-170174.3-169.9-0.3109.4R139 K143R139-R141 PolarHBondContact O-N 2.88Å; R141-K143 PolarHBondContact O-N 3.35Å
142K38.2Very low40.2Very low196 Ų196164.3 Ų164.385%0.85279%0.79SS**  trans-69.2108174.5-171.3160.3-174.5164.80110.1
143K43.8Very low40Very low204 Ų204162.6 Ų162.689%0.88778%0.781SS**  trans-116.7114162.4-139.9173.6-174.4179.90108.7R141 S145R141-K143 PolarHBondContact O-N 3.35Å; K143-S145 PolarHBondContact O-N 3.16Å
144R35.7Very low39.7Very low230 Ų230161 Ų16187%0.86879%0.791SS**  trans-74115.5-179.4-63.3166.399176.84.7108.2
145S40.4Very low39.2Very low85 Ų85154.7 Ų154.759%0.59477%0.772SS**  trans-147109.8153.562.70000111K143K143-S145 PolarHBondContact O-N 3.16Å
146L35.1Very low39Very low146 Ų146152.9 Ų152.976%0.76477%0.767SS**  trans45.387153.3-74130.9000118.4R148L146-R148 PolarHBondContact O-N 3.09Å
147C33Very low38.7Very low118 Ų118154.4 Ų154.480%0.79777%0.766SS**  trans-76.6106.8151.4-59.70000109
148R32.6Very low38.6Very low221 Ų221158.5 Ų158.583%0.83477%0.77SS**  trans-124.593.9154.5-74-169.1-168.3-127.34.9106.8L146L146-R148 PolarHBondContact O-N 3.09Å
149L37.9Very low38.3Very low172 Ų172162.4 Ų162.490%0.90179%0.785SS**SBendtrans-171.1114.2149.3-97.8162.5000106.5N151L149-N151 PolarHBondContact O-N 2.76Å
150R31.5Very low37.9Very low240 Ų240158.8 Ų158.891%0.90678%0.781SS**SBendtrans-17.9103.1-179.2-72.1170.4177.8171.8-1.7115.7
151N40.1Very low37.4Very low144 Ų144159.6 Ų159.677%0.7778%0.781SS**  trans-168.2140.7139.6-89.1-43.2000107.4L149L149-N151 PolarHBondContact O-N 2.76Å
152P46.7Very low37Very low90 Ų90151.1 Ų151.158%0.58476%0.764SS**  trans-65.4156.5-170.728.9-33.6000111.1
153P40.5Very low36.7Very low99 Ų99146.4 Ų146.464%0.64375%0.751SS**  trans-68.3150.8-172.36.88.2000109.3S155P153-S155 PolarHBondContact O-N 3Å
154C39.5Very low36.3Very low147 Ų147144.6 Ų144.699%0.99375%0.751SS**  trans-57.282.1147.7-177.60000106.6
155S35.3Very low36.5Very low69 Ų69140.8 Ų140.848%0.48375%0.748SS.*  trans-100.4129.2-178.562.80000107.5P153P153-S155 PolarHBondContact O-N 3Å
156Q36.6Very low36.6Very low163 Ų163148.1 Ų148.176%0.76278%0.78SS**  trans70.6128.5163.7-70157.3-1.800112.3
157Q35.3Very low36.7Very low158 Ų158148.3 Ų148.374%0.73878%0.781SS**  cis-158.6172.820-85.6130.9-16.300108
158H37.9Very low36.9Very low169 Ų169149.8 Ų149.878%0.78278%0.78SS**  trans85.398168.7-61.7-87.5000118.1M160H158-M160 PolarHBondContact O-N 2.82Å; H158-M160 VanDerWaalsContact O-N 3.08Å
159H34.8Very low37.1Very low178 Ų178145.9 Ų145.982%0.82478%0.777SS**  -10101.9124.8-96.3-78000113.4
160M33.7Very low37.1Very low161 Ų161144.4 Ų144.479%0.79377%0.77SS**  trans-130.184.3146.4-83.4-16764.200108.3H158 A162H158-M160 PolarHBondContact O-N 2.82Å; H158-M160 VanDerWaalsContact O-N 3.08Å; M160-A162 HydrophobicContact CE-CB 4.26Å; M160-A162 PolarHBondContact O-N 2.9Å
161V30.4Very low37.4Very low114 Ų114138.4 Ų138.469%0.69176%0.761SS**  trans-59.388.8140.6177.70000105.1T163V161-T163 PolarHBondContact O-N 3.01Å
162A39Very low37.3Very low69 Ų69138 Ų13857%0.5776%0.761SS**  trans-81.686.7162.900000106.6M160 L164M160-A162 HydrophobicContact CE-CB 4.26Å; M160-A162 PolarHBondContact O-N 2.9Å; A162-L164 PolarHBondContact O-N 3.39Å
163T30.8Very low36.6Very low97 Ų97141.4 Ų141.460%0.59577%0.774SS**  trans-44.2112.9153.8-48.60000108.6V161 N165V161-T163 PolarHBondContact O-N 3.01Å; T163-N165 HydrophobicContact CG2-CB 4.48Å
164L35.3Very low36.3Very low166 Ų166144.7 Ų144.787%0.86978%0.784SS**  trans-125.774.9155.2-76.6173.3000106.3A162A162-L164 PolarHBondContact O-N 3.39Å
165N40.1Very low36Very low151 Ų151144.5 Ų144.581%0.80777%0.766SS**  trans-79.9108.1149.2-75.4-13.4000105.9T163T163-N165 HydrophobicContact CG2-CB 4.48Å
166N43.3Very low36.1Very low239 Ų239151.4 Ų151.4100%1.27879%0.792SS**  trans-159.40132.2-14424000108.3

Retrieved 166 of 166 residues in 150.4 ms (Link to these results)

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