A0A077YWX0_TRITR Loading...

Paired superclass homeobox transcription factor

AlphaFold DB , UniProt , Accession A0A077YWX0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 229 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
1M56.3Low78.8Confident228 Ų228103.8 Ų103.8100%1.12353%0.526SS*.  0127.10-98155.3179.400108.9A3M1-A3 PolarHBondContact O-N 3.07Å
2A80.8Confident79.2Confident50 Ų50105.1 Ų105.141%0.41355%0.551SS.*  trans-75.2120.5175.300000107.9R4 E5A2-R4 PolarHBondContact O-N 3.19Å; A2-E5 HydrophobicContact CB-CG 4.16Å; A2-E5 WeakPolarHBondContact O-CB 3.41Å; A2-E5 PolarHBondContact O-N 3.13Å
3A83.1Confident79.4Confident65 Ų65102.2 Ų102.254%0.53754%0.536SS..Hα-helixtrans-49.7-23.6-179.600000113.7M1 I7M1-A3 PolarHBondContact O-N 3.07Å; A3-I7 VanDerWaalsContact O-CD1 3.25Å; A3-I7 WeakPolarHBondContact O-CD1 3.41Å; A3-I7 WeakPolarHBondContact O-CG1 3.38Å; A3-I7 PolarHBondContact O-N 2.94Å
4R79Confident80Confident105 Ų105101.3 Ų101.340%0.39654%0.537SS..Hα-helixtrans-70.3-34.1176-162-178.9-78.5157.8-8.4114A2 A8 E15 V18A2-R4 PolarHBondContact O-N 3.19Å; R4-A8 WeakPolarHBondContact O-CB 3.41Å; R4-A8 PolarHBondContact O-N 3.01Å; R4-A8 VanDerWaalsContact O-N 3.1Å; R4-E15 WeakPolarHBondContact CD-OE1 3.37Å; R4-E15 HydrophobicContact CG-CG 3.72Å; R4-E15 IonicContact CZ-OE1 3.97Å; R4-E15 IonicContact NE-OE1 3.98Å; R4-E15 IonicContact NH1-OE1 3.11Å; R4-E15 PolarHBondContact NH1-OE1 3.1Å; R4-E15 VanDerWaalsContact NH1-OE1 3.11Å; R4-V18 HydrophobicContact CG-CG1 4.16Å
5E73.3Confident80.3Confident105 Ų10599.4 Ų99.449%0.49152%0.524SS..Hα-helixtrans-71-41.6177-66.2170.3162.400110.6A2 I7 A8 L9A2-E5 HydrophobicContact CB-CG 4.16Å; A2-E5 WeakPolarHBondContact O-CB 3.41Å; A2-E5 PolarHBondContact O-N 3.13Å; E5-I7 PolarHBondContact O-N 3.17Å; E5-A8 WeakPolarHBondContact O-CB 3.37Å; E5-A8 PolarHBondContact O-N 3.2Å; E5-L9 WeakPolarHBondContact O-CG 3.34Å; E5-L9 PolarHBondContact O-N 3.01Å; E5-L9 VanDerWaalsContact O-N 3.1Å
6E80.5Confident80.8Confident108 Ų10898.3 Ų98.351%0.50552%0.524SS..Hα-helixtrans-56.2-53.3172.9-174.9176.8-176.100110.1A8 L9 W10E6-A8 VanDerWaalsContact C-N 3.26Å; E6-A8 PolarHBondContact O-N 3.06Å; E6-L9 WeakPolarHBondContact O-CB 3.22Å; E6-L9 PolarHBondContact O-N 2.89Å; E6-W10 PolarHBondContact O-N 3.16Å; E6-W10 VanDerWaalsContact O-N 3.12Å
7I83.4Confident81.4Confident52 Ų52102.1 Ų102.127%0.26753%0.53SS..Hα-helixtrans-60.2-36179.8-62.5158.9000112.2A3 E5 L9 W10 T11 V18 F22A3-I7 VanDerWaalsContact O-CD1 3.25Å; A3-I7 WeakPolarHBondContact O-CD1 3.41Å; A3-I7 WeakPolarHBondContact O-CG1 3.38Å; A3-I7 PolarHBondContact O-N 2.94Å; E5-I7 PolarHBondContact O-N 3.17Å; I7-L9 VanDerWaalsContact C-N 3.33Å; I7-L9 PolarHBondContact O-N 3.04Å; I7-W10 PolarHBondContact O-N 3.14Å; I7-T11 HydrophobicContact CG2-CG2 4.04Å; I7-T11 WeakPolarHBondContact O-CB 3.22Å; I7-T11 WeakPolarHBondContact O-CG2 3.44Å; I7-T11 PolarHBondContact O-N 3.04Å; I7-T11 PolarHBondContact O-OG1 3.44Å; I7-V18 HydrophobicContact CB-CG1 4.34Å; I7-V18 HydrophobicContact CG2-CG1 3.85Å; I7-V18 HydrophobicContact CG2-CG2 4.43Å; I7-F22 HydrophobicContact CD1-CE2 3.84Å; I7-F22 HydrophobicContact CD1-CZ 3.83Å; I7-F22 HydrophobicContact CG2-CE2 4.02Å; I7-F22 HydrophobicContact CG2-CZ 4.42Å
8A81.5Confident81.8Confident20 Ų2096.4 Ų96.417%0.16550%0.5CS..Hα-helixtrans-62-41.2176.500000111.9R4 E5 E6 S12 L13 V18R4-A8 WeakPolarHBondContact O-CB 3.41Å; R4-A8 PolarHBondContact O-N 3.01Å; R4-A8 VanDerWaalsContact O-N 3.1Å; E5-A8 WeakPolarHBondContact O-CB 3.37Å; E5-A8 PolarHBondContact O-N 3.2Å; E6-A8 VanDerWaalsContact C-N 3.26Å; E6-A8 PolarHBondContact O-N 3.06Å; A8-S12 PolarHBondContact O-N 3.43Å; A8-S12 VanDerWaalsContact O-N 3.12Å; A8-L13 WeakPolarHBondContact CA-O 3.5Å; A8-L13 WeakPolarHBondContact CB-O 3.25Å; A8-L13 PolarHBondContact O-N 3.12Å; A8-V18 HydrophobicContact CB-CG2 4.17Å
9L80Confident82.2Confident146 Ų14698.3 Ų98.376%0.76450%0.5SS*.Hα-helixtrans-63-48.4176.1-66.8166.2000111.6E5 E6 I7 T11E5-L9 WeakPolarHBondContact O-CG 3.34Å; E5-L9 PolarHBondContact O-N 3.01Å; E5-L9 VanDerWaalsContact O-N 3.1Å; E6-L9 WeakPolarHBondContact O-CB 3.22Å; E6-L9 PolarHBondContact O-N 2.89Å; I7-L9 VanDerWaalsContact C-N 3.33Å; I7-L9 PolarHBondContact O-N 3.04Å; L9-T11 VanDerWaalsContact C-N 3.35Å; L9-T11 PolarHBondContact O-N 3.15Å
10W84.3Confident82.7Confident209 Ų20996.5 Ų96.579%0.79249%0.494SS*.Hα-helixtrans-69.9-28.8-178.6-68.996.5000113.5E6 I7E6-W10 PolarHBondContact O-N 3.16Å; E6-W10 VanDerWaalsContact O-N 3.12Å; I7-W10 PolarHBondContact O-N 3.14Å
11T84.4Confident83.2Confident54 Ų5497.8 Ų97.833%0.33149%0.493SS..Hα-helixtrans-102.50.5-173.861.20000114.5I7 L9 L13I7-T11 HydrophobicContact CG2-CG2 4.04Å; I7-T11 WeakPolarHBondContact O-CB 3.22Å; I7-T11 WeakPolarHBondContact O-CG2 3.44Å; I7-T11 PolarHBondContact O-N 3.04Å; I7-T11 PolarHBondContact O-OG1 3.44Å; L9-T11 VanDerWaalsContact C-N 3.35Å; L9-T11 PolarHBondContact O-N 3.15Å; T11-L13 PolarHBondContact O-N 3.12Å; T11-L13 VanDerWaalsContact O-N 3.08Å
12S84.1Confident85Confident119 Ų11991 Ų9183%0.83246%0.457SS*.THydrogen-bonded Turntrans53.922.3-17567.60000114.1A8A8-S12 PolarHBondContact O-N 3.43Å; A8-S12 VanDerWaalsContact O-N 3.12Å
13L81.6Confident85.6Confident67 Ų6795.3 Ų95.335%0.35147%0.467SS..  trans-108.5137-179.7-70.3173.5000109.7A8 T11 R17 V18A8-L13 WeakPolarHBondContact CA-O 3.5Å; A8-L13 WeakPolarHBondContact CB-O 3.25Å; A8-L13 PolarHBondContact O-N 3.12Å; T11-L13 PolarHBondContact O-N 3.12Å; T11-L13 VanDerWaalsContact O-N 3.08Å; L13-R17 HydrophobicContact CB-CB 4.09Å; L13-R17 HydrophobicContact CD2-CB 4.2Å; L13-V18 HydrophobicContact CB-CG2 3.85Å
14T87.1Confident86.2Confident90 Ų9096.2 Ų96.255%0.55246%0.462SS*.  trans-63153174.861.80000111.1P16 R17 V18T14-P16 VanDerWaalsContact C-N 3.29Å; T14-P16 VanDerWaalsContact O-N 3.14Å; T14-R17 WeakPolarHBondContact O-CA 3.31Å; T14-R17 WeakPolarHBondContact O-CB 3.41Å; T14-R17 PolarHBondContact O-N 2.86Å; T14-R17 VanDerWaalsContact OG1-CG 3.29Å; T14-R17 WeakPolarHBondContact OG1-CG 3.1Å; T14-V18 PolarHBondContact O-N 3.21Å
15E85.5Confident86.9Confident73 Ų7397.7 Ų97.734%0.34147%0.468SS..Hα-helixtrans-49-42.4-179.2-160.4-151.1144.200113.6R4 R17 V18 R19R4-E15 WeakPolarHBondContact CD-OE1 3.37Å; R4-E15 HydrophobicContact CG-CG 3.72Å; R4-E15 IonicContact CZ-OE1 3.97Å; R4-E15 IonicContact NE-OE1 3.98Å; R4-E15 IonicContact NH1-OE1 3.11Å; R4-E15 PolarHBondContact NH1-OE1 3.1Å; R4-E15 VanDerWaalsContact NH1-OE1 3.11Å; E15-R17 VanDerWaalsContact C-N 3.34Å; E15-R17 PolarHBondContact O-N 2.65Å; E15-V18 PolarHBondContact O-N 3.22Å; E15-R19 WeakPolarHBondContact O-CG 3.45Å; E15-R19 PolarHBondContact O-N 3.04Å; E15-R19 VanDerWaalsContact O-N 3.15Å; E15-R19 IonicContact OE1-CZ 3.32Å; E15-R19 VanDerWaalsContact OE1-CZ 3.32Å; E15-R19 IonicContact OE1-NE 3.17Å; E15-R19 PolarHBondContact OE1-NE 3.49Å; E15-R19 VanDerWaalsContact OE1-NE 3.17Å; E15-R19 IonicContact OE1-NH2 2.67Å; E15-R19 PolarHBondContact OE1-NH2 3.28Å
16P87.4Confident87.8Confident81 Ų81100.3 Ų100.353%0.52647%0.473SS..Hα-helixtrans-63.7-36175-22.134.8000113.4T14 R19 V20T14-P16 VanDerWaalsContact C-N 3.29Å; T14-P16 VanDerWaalsContact O-N 3.14Å; P16-R19 WeakPolarHBondContact O-CB 3.29Å; P16-R19 PolarHBondContact O-N 3.1Å; P16-V20 WeakPolarHBondContact O-CG2 3.3Å; P16-V20 PolarHBondContact O-N 3.49Å; P16-V20 VanDerWaalsContact O-N 3.17Å
17R90.7Very high88.3Confident163 Ų16397.4 Ų97.462%0.61547%0.468SS*.Hα-helixtrans-69.6-40.2178.1-67.6-63.9-170.6-173.42.2111.4L13 T14 E15 R19 V20 W21L13-R17 HydrophobicContact CB-CB 4.09Å; L13-R17 HydrophobicContact CD2-CB 4.2Å; T14-R17 WeakPolarHBondContact O-CA 3.31Å; T14-R17 WeakPolarHBondContact O-CB 3.41Å; T14-R17 PolarHBondContact O-N 2.86Å; T14-R17 VanDerWaalsContact OG1-CG 3.29Å; T14-R17 WeakPolarHBondContact OG1-CG 3.1Å; E15-R17 VanDerWaalsContact C-N 3.34Å; E15-R17 PolarHBondContact O-N 2.65Å; R17-R19 VanDerWaalsContact C-N 3.32Å; R17-R19 PolarHBondContact O-N 3.08Å; R17-V20 PolarHBondContact O-N 2.98Å; R17-W21 VanDerWaalsContact O-CB 3.31Å; R17-W21 WeakPolarHBondContact O-CB 3.42Å; R17-W21 PolarHBondContact O-N 3.47Å
18V89.3Confident88.8Confident1 Ų1101.5 Ų101.51%0.00648%0.484CS..Hα-helixtrans-57.8-45.2173.11760000110.5R4 I7 A8 L13 T14 E15 V20 W21 F22R4-V18 HydrophobicContact CG-CG1 4.16Å; I7-V18 HydrophobicContact CB-CG1 4.34Å; I7-V18 HydrophobicContact CG2-CG1 3.85Å; I7-V18 HydrophobicContact CG2-CG2 4.43Å; A8-V18 HydrophobicContact CB-CG2 4.17Å; L13-V18 HydrophobicContact CB-CG2 3.85Å; T14-V18 PolarHBondContact O-N 3.21Å; E15-V18 PolarHBondContact O-N 3.22Å; V18-V20 PolarHBondContact O-N 3.2Å; V18-W21 PolarHBondContact O-N 3.42Å; V18-F22 HydrophobicContact CG1-CD2 3.61Å; V18-F22 HydrophobicContact CG1-CE2 3.55Å; V18-F22 VanDerWaalsContact O-CD2 3.3Å; V18-F22 WeakPolarHBondContact O-CD2 3.33Å; V18-F22 PolarHBondContact O-N 3Å
19R90Very high89.1Confident132 Ų132108.3 Ų108.350%0.49851%0.505SS..Hα-helixtrans-56.8-49176-66.6176.5-169.2-163.4-2.5112.2E15 P16 R17 K23E15-R19 WeakPolarHBondContact O-CG 3.45Å; E15-R19 PolarHBondContact O-N 3.04Å; E15-R19 VanDerWaalsContact O-N 3.15Å; E15-R19 IonicContact OE1-CZ 3.32Å; E15-R19 VanDerWaalsContact OE1-CZ 3.32Å; E15-R19 IonicContact OE1-NE 3.17Å; E15-R19 PolarHBondContact OE1-NE 3.49Å; E15-R19 VanDerWaalsContact OE1-NE 3.17Å; E15-R19 IonicContact OE1-NH2 2.67Å; E15-R19 PolarHBondContact OE1-NH2 3.28Å; P16-R19 WeakPolarHBondContact O-CB 3.29Å; P16-R19 PolarHBondContact O-N 3.1Å; R17-R19 VanDerWaalsContact C-N 3.32Å; R17-R19 PolarHBondContact O-N 3.08Å; R19-K23 PolarHBondContact O-N 2.83Å; R19-K23 VanDerWaalsContact O-N 3.09Å
20V92.1Very high89.7Confident62 Ų62106.7 Ų106.738%0.37649%0.489SS..Hα-helixtrans-67-39.1179.8176.10000111.4P16 R17 V18 K23 N24P16-V20 WeakPolarHBondContact O-CG2 3.3Å; P16-V20 PolarHBondContact O-N 3.49Å; P16-V20 VanDerWaalsContact O-N 3.17Å; R17-V20 PolarHBondContact O-N 2.98Å; V18-V20 PolarHBondContact O-N 3.2Å; V20-K23 WeakPolarHBondContact O-CB 3.46Å; V20-K23 PolarHBondContact O-N 3.25Å; V20-N24 PolarHBondContact O-N 2.82Å
21W93.4Very high89.8Confident123 Ų123102.9 Ų102.947%0.46648%0.478SS..Hα-helixtrans-61.3-49.3177.8178.684000111.7R17 V18 K23 N24 R25R17-W21 VanDerWaalsContact O-CB 3.31Å; R17-W21 WeakPolarHBondContact O-CB 3.42Å; R17-W21 PolarHBondContact O-N 3.47Å; V18-W21 PolarHBondContact O-N 3.42Å; W21-K23 VanDerWaalsContact C-N 3.31Å; W21-K23 PolarHBondContact O-N 3.43Å; W21-N24 PolarHBondContact O-N 2.83Å; W21-R25 WeakPolarHBondContact O-CB 3.35Å; W21-R25 PolarHBondContact O-N 3.38Å
22F93.1Very high89.9Confident86 Ų86106.8 Ų106.838%0.37749%0.487SS..Hα-helixtrans-61.7-39175.8-85.8-72.2000112.3I7 V18 R25 R26I7-F22 HydrophobicContact CD1-CE2 3.84Å; I7-F22 HydrophobicContact CD1-CZ 3.83Å; I7-F22 HydrophobicContact CG2-CE2 4.02Å; I7-F22 HydrophobicContact CG2-CZ 4.42Å; V18-F22 HydrophobicContact CG1-CD2 3.61Å; V18-F22 HydrophobicContact CG1-CE2 3.55Å; V18-F22 VanDerWaalsContact O-CD2 3.3Å; V18-F22 WeakPolarHBondContact O-CD2 3.33Å; V18-F22 PolarHBondContact O-N 3Å; F22-R25 PolarHBondContact O-N 3.42Å; F22-R26 VanDerWaalsContact O-CB 3.27Å; F22-R26 WeakPolarHBondContact O-CB 3.47Å; F22-R26 PolarHBondContact O-N 3.15Å
23K93.8Very high89.7Confident140 Ų140106.7 Ų106.761%0.60947%0.473SS*.Hα-helixtrans-58.7-49.3174.9-171.3174.468.6174.80111.2R19 V20 W21 A27R19-K23 PolarHBondContact O-N 2.83Å; R19-K23 VanDerWaalsContact O-N 3.09Å; V20-K23 WeakPolarHBondContact O-CB 3.46Å; V20-K23 PolarHBondContact O-N 3.25Å; W21-K23 VanDerWaalsContact C-N 3.31Å; W21-K23 PolarHBondContact O-N 3.43Å; K23-A27 WeakPolarHBondContact O-CB 3.49Å; K23-A27 PolarHBondContact O-N 3.17Å
24N95.6Very high89.6Confident84 Ų84111 Ų11145%0.44948%0.484SS..Hα-helixtrans-67.5-39.3179.5-72.5-12.2000112.1V20 W21 A27 K28V20-N24 PolarHBondContact O-N 2.82Å; W21-N24 PolarHBondContact O-N 2.83Å; N24-A27 PolarHBondContact O-N 3.11Å; N24-K28 WeakPolarHBondContact O-CG 3.27Å; N24-K28 PolarHBondContact O-N 2.67Å
25R93.9Very high88.8Confident136 Ų136111.3 Ų111.351%0.51348%0.48SS..Hα-helixtrans-63.8-47.1177.3-171.864.3175.9161.7-1.7111.2W21 F22 A27 K28 W29W21-R25 WeakPolarHBondContact O-CB 3.35Å; W21-R25 PolarHBondContact O-N 3.38Å; F22-R25 PolarHBondContact O-N 3.42Å; R25-A27 VanDerWaalsContact C-N 3.33Å; R25-A27 PolarHBondContact O-N 2.84Å; R25-K28 PolarHBondContact O-N 3.41Å; R25-W29 PolarHBondContact O-N 3.29Å
26R91.8Very high87.8Confident161 Ų161113.6 Ų113.661%0.60849%0.493SS*.Hα-helixtrans-64.9-35.6175.5-162.6-175.1-72.7-171.8-5.6111.8F22 W29 R30F22-R26 VanDerWaalsContact O-CB 3.27Å; F22-R26 WeakPolarHBondContact O-CB 3.47Å; F22-R26 PolarHBondContact O-N 3.15Å; R26-W29 PolarHBondContact O-N 3.09Å; R26-R30 WeakPolarHBondContact O-CG 3.33Å; R26-R30 PolarHBondContact O-N 3.22Å; R26-R30 VanDerWaalsContact O-N 3.16Å
27A92Very high86.7Confident47 Ų47114.9 Ų114.939%0.38850%0.5SS..Hα-helixtrans-64.1-45173.500000112K23 N24 R25 W29 R30 K31K23-A27 WeakPolarHBondContact O-CB 3.49Å; K23-A27 PolarHBondContact O-N 3.17Å; N24-A27 PolarHBondContact O-N 3.11Å; R25-A27 VanDerWaalsContact C-N 3.33Å; R25-A27 PolarHBondContact O-N 2.84Å; A27-W29 VanDerWaalsContact C-N 3.32Å; A27-W29 PolarHBondContact O-N 2.96Å; A27-R30 PolarHBondContact O-N 3.28Å; A27-K31 PolarHBondContact O-N 3.17Å
28K92.5Very high85.3Confident137 Ų137109.5 Ų109.560%0.59649%0.49SS*.Hα-helixtrans-60.2-40.8174.9-72.3178.8-170.4-172.90111.9N24 R25 K31 R32N24-K28 WeakPolarHBondContact O-CG 3.27Å; N24-K28 PolarHBondContact O-N 2.67Å; R25-K28 PolarHBondContact O-N 3.41Å; K28-K31 PolarHBondContact O-N 3.35Å; K28-R32 PolarHBondContact O-N 3.39Å
29W89.4Confident83.8Confident164 Ų164115 Ų11562%0.62152%0.516SS*.Hα-helixtrans-56.7-54.3175.7-178.2-89.5000111.4R25 R26 A27 K31 R32 E33R25-W29 PolarHBondContact O-N 3.29Å; R26-W29 PolarHBondContact O-N 3.09Å; A27-W29 VanDerWaalsContact C-N 3.32Å; A27-W29 PolarHBondContact O-N 2.96Å; W29-K31 VanDerWaalsContact C-N 3.27Å; W29-K31 PolarHBondContact O-N 2.81Å; W29-R32 PolarHBondContact O-N 2.99Å; W29-E33 PolarHBondContact O-N 3Å
30R91.2Very high82.2Confident112 Ų112114.2 Ų114.242%0.42353%0.526SS..Hα-helixtrans-62.4-33.4178.3-64.5-171.9-164.5102.6-15.1113R26 A27 R34R26-R30 WeakPolarHBondContact O-CG 3.33Å; R26-R30 PolarHBondContact O-N 3.22Å; R26-R30 VanDerWaalsContact O-N 3.16Å; A27-R30 PolarHBondContact O-N 3.28Å; R30-R34 WeakPolarHBondContact O-CG 3.48Å; R30-R34 PolarHBondContact O-N 2.94Å; R30-R34 PolarHBondContact O-NH1 3.43Å
31K87.3Confident80.6Confident128 Ų128121.3 Ų121.356%0.55755%0.546SS*.Hα-helixtrans-67.4-43.8177.3-171.5164.9-177.1179.50110.7A27 K28 W29 E33 R34 H35A27-K31 PolarHBondContact O-N 3.17Å; K28-K31 PolarHBondContact O-N 3.35Å; W29-K31 VanDerWaalsContact C-N 3.27Å; W29-K31 PolarHBondContact O-N 2.81Å; K31-E33 PolarHBondContact O-N 3.28Å; K31-R34 PolarHBondContact O-N 3.4Å; K31-H35 WeakPolarHBondContact CE-NE2 3.2Å; K31-H35 PolarHBondContact O-CD2 3.34Å; K31-H35 PolarHBondContact O-N 3.31Å; K31-H35 VanDerWaalsContact O-N 3.11Å
32R86.6Confident78.9Confident136 Ų136117.8 Ų117.851%0.51354%0.54SS..Hα-helixtrans-60.4-43.5178.8-170.7-175.4-64.5150.6-6.8112.4K28 W29 R34 H35 L36K28-R32 PolarHBondContact O-N 3.39Å; W29-R32 PolarHBondContact O-N 2.99Å; R32-R34 VanDerWaalsContact C-N 3.33Å; R32-R34 PolarHBondContact O-N 3.44Å; R32-H35 PolarHBondContact O-N 3.42Å; R32-L36 PolarHBondContact O-N 3.26Å; R32-L36 VanDerWaalsContact O-N 3.16Å
33E78.4Confident77.1Confident117 Ų117119.9 Ų119.955%0.54756%0.555SS.*Hα-helixtrans-62.5-39.3179.1-168172.8-170.600112.3W29 K31 L36 V37W29-E33 PolarHBondContact O-N 3Å; K31-E33 PolarHBondContact O-N 3.28Å; E33-L36 PolarHBondContact O-N 2.9Å; E33-V37 PolarHBondContact O-N 2.88Å
34R80.6Confident75.4Confident157 Ų157121.2 Ų121.259%0.59257%0.566SS**Hα-helixtrans-68.3-34.2175-66.7-174.6-157.8102.4-7.5113.5R30 K31 R32 V37 A38R30-R34 WeakPolarHBondContact O-CG 3.48Å; R30-R34 PolarHBondContact O-N 2.94Å; R30-R34 PolarHBondContact O-NH1 3.43Å; K31-R34 PolarHBondContact O-N 3.4Å; R32-R34 VanDerWaalsContact C-N 3.33Å; R32-R34 PolarHBondContact O-N 3.44Å; R34-V37 PolarHBondContact O-N 3.39Å; R34-A38 VanDerWaalsContact O-CB 3.28Å; R34-A38 WeakPolarHBondContact O-CB 3.42Å; R34-A38 PolarHBondContact O-N 2.91Å
35H69.5Low73.5Confident98 Ų98119.4 Ų119.445%0.45456%0.562SS.*Hα-helixtrans-70-34.7177.3-79.4-75000112.1K31 R32 V37 A38 E39K31-H35 WeakPolarHBondContact CE-NE2 3.2Å; K31-H35 PolarHBondContact O-CD2 3.34Å; K31-H35 PolarHBondContact O-N 3.31Å; K31-H35 VanDerWaalsContact O-N 3.11Å; R32-H35 PolarHBondContact O-N 3.42Å; H35-V37 VanDerWaalsContact C-N 3.33Å; H35-V37 PolarHBondContact O-N 3.39Å; H35-A38 PolarHBondContact O-N 3.47Å; H35-E39 WeakPolarHBondContact O-CB 3.35Å; H35-E39 WeakPolarHBondContact O-CG 3.04Å; H35-E39 PolarHBondContact O-N 3.09Å
36L65.6Low71.8Confident120 Ų120118.4 Ų118.463%0.62857%0.571SS**Hα-helixtrans-64.2-37.4175.2-67.3172.2000112.4R32 E33 V40R32-L36 PolarHBondContact O-N 3.26Å; R32-L36 VanDerWaalsContact O-N 3.16Å; E33-L36 PolarHBondContact O-N 2.9Å; L36-V40 WeakPolarHBondContact O-CG2 3.39Å
37V63.3Low69.8Low108 Ų108113.7 Ų113.766%0.65557%0.572SS**Hα-helixtrans-75.4-34.1175.9-179.50000111.8E33 R34 H35E33-V37 PolarHBondContact O-N 2.88Å; R34-V37 PolarHBondContact O-N 3.39Å; H35-V37 VanDerWaalsContact C-N 3.33Å; H35-V37 PolarHBondContact O-N 3.39Å
38A61.8Low67.9Low51 Ų51119.1 Ų119.142%0.42159%0.589SS.*Hα-helixtrans-73.7-38178.700000112.9R34 H35 V40 R41 S42R34-A38 VanDerWaalsContact O-CB 3.28Å; R34-A38 WeakPolarHBondContact O-CB 3.42Å; R34-A38 PolarHBondContact O-N 2.91Å; H35-A38 PolarHBondContact O-N 3.47Å; A38-V40 VanDerWaalsContact C-N 3.34Å; A38-V40 PolarHBondContact O-N 3.37Å; A38-R41 PolarHBondContact O-N 3.44Å; A38-S42 WeakPolarHBondContact O-CB 3.49Å; A38-S42 PolarHBondContact O-N 3.44Å
39E56.9Low65.8Low115 Ų115119.4 Ų119.454%0.53759%0.593SS.*Hα-helixtrans-66.8-35.2179.9-67.4-101.6107.700111.6H35 R41 S42 N43H35-E39 WeakPolarHBondContact O-CB 3.35Å; H35-E39 WeakPolarHBondContact O-CG 3.04Å; H35-E39 PolarHBondContact O-N 3.09Å; E39-R41 VanDerWaalsContact C-N 3.32Å; E39-R41 PolarHBondContact O-N 3.14Å; E39-S42 PolarHBondContact O-N 3.2Å; E39-N43 WeakPolarHBondContact O-CB 3.16Å; E39-N43 PolarHBondContact O-N 3.21Å; E39-N43 VanDerWaalsContact O-N 3.11Å; E39-N43 PolarHBondContact O-ND2 3.43Å
40V57.2Low63.8Low117 Ų117122.1 Ų122.171%0.70961%0.609SS**Hα-helixtrans-68-32.2174.9176.70000111.7L36 A38L36-V40 WeakPolarHBondContact O-CG2 3.39Å; A38-V40 VanDerWaalsContact C-N 3.34Å; A38-V40 PolarHBondContact O-N 3.37Å
41R57.8Low61.6Low210 Ų210120 Ų12079%0.79262%0.623SS**Hα-helixtrans-86.2-28.4177.6-157.9176.5-177.1100-0.2113.1A38 E39 A45A38-R41 PolarHBondContact O-N 3.44Å; E39-R41 VanDerWaalsContact C-N 3.32Å; E39-R41 PolarHBondContact O-N 3.14Å; R41-A45 PolarHBondContact O-N 3.19Å
42S58.6Low59.9Low50 Ų50120.6 Ų120.635%0.3564%0.637SS.*Hα-helixtrans-75.2-39.4179.9178.80000112.2A38 E39 M44 A45 V46A38-S42 WeakPolarHBondContact O-CB 3.49Å; A38-S42 PolarHBondContact O-N 3.44Å; E39-S42 PolarHBondContact O-N 3.2Å; S42-M44 PolarHBondContact O-N 3.16Å; S42-A45 PolarHBondContact O-N 3.11Å; S42-V46 WeakPolarHBondContact O-CG2 3.28Å; S42-V46 PolarHBondContact O-N 3.29Å
43N56Low58Low129 Ų129117.5 Ų117.569%0.6965%0.647SS**THydrogen-bonded Turntrans-68.6-12177.2-74-50.6000113.6E39E39-N43 WeakPolarHBondContact O-CB 3.16Å; E39-N43 PolarHBondContact O-N 3.21Å; E39-N43 VanDerWaalsContact O-N 3.11Å; E39-N43 PolarHBondContact O-ND2 3.43Å
44M56.4Low56.8Low169 Ų169120.5 Ų120.583%0.83366%0.663SS**THydrogen-bonded Turntrans-100.8-9.2171.6-154.8156.9-16900113.4S42S42-M44 PolarHBondContact O-N 3.16Å
45A56.5Low55.4Low45 Ų45119.8 Ų119.837%0.37268%0.677SS.*THydrogen-bonded Turntrans-107.4-21.9-179.700000113.4R41 S42 G47 Q49R41-A45 PolarHBondContact O-N 3.19Å; S42-A45 PolarHBondContact O-N 3.11Å; A45-G47 PolarHBondContact O-N 2.95Å; A45-Q49 VanDerWaalsContact O-CD 3.26Å; A45-Q49 PolarHBondContact O-NE2 3.28Å
46V57.4Low54.3Low115 Ų115123.6 Ų123.670%0.69770%0.697SS**THydrogen-bonded Turntrans-84.455173.2-178.60000110S42S42-V46 WeakPolarHBondContact O-CG2 3.28Å; S42-V46 PolarHBondContact O-N 3.29Å
47G50.3Low53.6Low62 Ų62125.7 Ų125.764%0.63971%0.705SS**THydrogen-bonded Turntrans-141.6-4174.200000114A45A45-G47 PolarHBondContact O-N 2.95Å
48H51.9Low52.5Low161 Ų161128.6 Ų128.675%0.74571%0.712SS**SBendtrans-13318.5-168.9-7289.7000115.2
49Q50.2Low51.8Low144 Ų144129.4 Ų129.467%0.67372%0.718SS**SBendtrans-132.516.2-174.731.9-112.73500116.7A45A45-Q49 VanDerWaalsContact O-CD 3.26Å; A45-Q49 PolarHBondContact O-NE2 3.28Å
50F45.3Very low51.2Low221 Ų221130.6 Ų130.697%0.96973%0.733SS**SBendtrans-121.185.9170.7-133.7-91.3000110.1
51G46.5Very low50.5Low68 Ų68129.1 Ų129.170%0.70174%0.742SS**SBendtrans116.478166.900000115.4
52T52.1Low49.7Very low140 Ų140122.6 Ų122.686%0.85974%0.74SS**  trans-158.260.4154.1-6.80000110
53G45.8Very low49Very low70 Ų70124.7 Ų124.772%0.72276%0.761SS**  trans-83.2133.3150.400000107.5
54M53.4Low47.9Very low181 Ų181126.3 Ų126.389%0.89276%0.764SS**  trans102.7133.8174.6-57.9-158.7109.700117.5
55T50.3Low47.3Very low142 Ų142124.5 Ų124.587%0.87176%0.757SS**  trans97.792158.3-148.90000118.3
56M47.4Very low46.3Very low178 Ų178131.2 Ų131.288%0.87778%0.781SS**  trans-67141.6156.9-61-113.5-81.200110.1
57M50.4Low45.4Very low164 Ų164131 Ų13181%0.80879%0.791SS**  trans153115.2150.4-94.3-168.5172.200107.9
58Q40Very low45.2Very low169 Ų169132.2 Ų132.279%0.7980%0.795SS**  78.4129.295.9-174.8165.6-7.300109.7
59A46.9Very low44.6Very low67 Ų67131.8 Ų131.855%0.55480%0.798SS**  cis-167147.918.200000108.3
60T45Very low44.8Very low140 Ų140131.6 Ų131.686%0.85981%0.807SS**  49.7129.8128.8650000122
61G42.8Very low44.7Very low86 Ų86124.9 Ų124.989%0.88779%0.791SS**  trans108.8123161.800000110.9
62G39.6Very low44.3Very low73 Ų73124.4 Ų124.475%0.75379%0.787SS**  cis141.814319.600000106.4
63A44.2Very low44.3Very low95 Ų95125.9 Ų125.979%0.78578%0.783SS**  trans66.3110.3172.400000116
64Q33.7Very low44.1Very low162 Ų162129.3 Ų129.376%0.75779%0.785SS**  57.6128.167.5-151.9-145.3-24.900112.1
65L43.2Very low43.6Very low132 Ų132128.6 Ų128.669%0.69178%0.784SS**  trans99.1120.6158.5-55.3174.2000117.6
66E36.2Very low43.6Very low186 Ų186133.3 Ų133.387%0.86979%0.788SS**  trans114.592.1142.5-55.1-120101.500115.5
67A37.5Very low43.5Very low109 Ų109128.9 Ų128.990%0.90178%0.779SS**  trans-77111.4160.200000108.4
68A46.9Very low43Very low88 Ų88125.4 Ų125.473%0.72777%0.77SS**  trans-156.6129.4158.100000109.7
69D39.6Very low43.6Very low152 Ų152123.7 Ų123.781%0.81377%0.773SS**  trans31.7106.9149.8-87.1-87000119.4
70V53Low43.8Very low141 Ų141125.7 Ų125.786%0.85578%0.779SS**  -150.3107.6127.5173.90000109.1
71A43.6Very low43.7Very low79 Ų79123.4 Ų123.465%0.65377%0.769SS**  trans44.1116.5137.200000120.2
72G39.3Very low44Very low58 Ų58124.2 Ų124.260%0.59876%0.757SS**  trans97.5149.7130.500000116.7
73H50.7Low44.6Very low171 Ų171131 Ų13179%0.79276%0.761SS**  trans78.783.7163-17.5-63.5000116
74N41.4Very low45Very low143 Ų143131.4 Ų131.477%0.76576%0.758SS**  163.486.8114.6-87.1-71.2000109.6
75L44.3Very low45.5Very low165 Ų165133 Ų13386%0.86476%0.757SS**SBendtrans-59.3132.9155.7-61.1166.4000106.6
76Y50.7Low45.7Very low242 Ų242137 Ų13795%0.94976%0.763SS**  trans93.440.5-170.9-61.4-86000117.7
77A44.3Very low46.1Very low84 Ų84133.6 Ų133.669%0.69476%0.76SS**  trans-113.492.8151.200000108.7P79A77-P79 VanDerWaalsContact O-CD 3.29Å; A77-P79 WeakPolarHBondContact O-CD 3.48Å
78C40.8Very low46.4Very low92 Ų92135.2 Ų135.262%0.62275%0.754SS**  trans-77.1114.2169.2178.90000108.3T80C78-T80 PolarHBondContact O-N 3.2Å; C78-T80 VanDerWaalsContact O-N 3.17Å; C78-T80 VanDerWaalsContact SG-CG2 3.54Å; C78-T80 PolarHBondContact SG-O 3.36Å
79P51.3Low46Very low132 Ų132134.9 Ų134.986%0.85776%0.758SS**SBendtrans-81.817.718018.7-5.6000112.9A77A77-P79 VanDerWaalsContact O-CD 3.29Å; A77-P79 WeakPolarHBondContact O-CD 3.48Å
80T52.2Low46.2Very low109 Ų109130.5 Ų130.567%0.66975%0.749SS**  trans-146.777-171.2169.70000110.6C78C78-T80 PolarHBondContact O-N 3.2Å; C78-T80 VanDerWaalsContact O-N 3.17Å; C78-T80 VanDerWaalsContact SG-CG2 3.54Å; C78-T80 PolarHBondContact SG-O 3.36Å
81S41.8Very low45.6Very low92 Ų92130.2 Ų130.264%0.64375%0.748SS**  trans-143.399164.2-1680000110.7Y83S81-Y83 PolarHBondContact O-N 3.35Å
82T50.6Low45.7Very low103 Ų103133.5 Ų133.563%0.63276%0.76SS**G310 helixtrans-697.6-175.7-63.20000114S84T82-S84 VanDerWaalsContact C-N 3.34Å; T82-S84 PolarHBondContact O-N 3.19Å
83Y51.2Low45.8Very low216 Ų216134 Ų13485%0.84776%0.764SS**G310 helixtrans-79.1-9.3-174.4-164.8-108.6000114.9S81 R85S81-Y83 PolarHBondContact O-N 3.35Å; Y83-R85 VanDerWaalsContact C-N 3.35Å; Y83-R85 PolarHBondContact O-N 3.16Å
84S53.5Low45.2Very low104 Ų104132 Ų13273%0.72777%0.768SS**G310 helixtrans-86.36.5-178.1-58.10000115.3T82 W86T82-S84 VanDerWaalsContact C-N 3.34Å; T82-S84 PolarHBondContact O-N 3.19Å; S84-W86 PolarHBondContact O-N 3.16Å
85R44.2Very low45.2Very low194 Ų194130.3 Ų130.373%0.73277%0.768SS**  trans-9476.7177.1-84.3-168.9-83.4-175.3-7.6111.4Y83 S87Y83-R85 VanDerWaalsContact C-N 3.35Å; Y83-R85 PolarHBondContact O-N 3.16Å; R85-S87 PolarHBondContact O-N 3.11Å
86W45.9Very low45Very low217 Ų217125.7 Ų125.782%0.82276%0.76SS**  trans-81.2110152.150.8-80.4000107.1S84 N88S84-W86 PolarHBondContact O-N 3.16Å; W86-N88 PolarHBondContact O-N 3.2Å
87S45.5Very low44.7Very low115 Ų115122.1 Ų122.180%0.80475%0.752SS**  trans-65.297.9-175.8-36.70000110R85R85-S87 PolarHBondContact O-N 3.11Å
88N44.3Very low44.4Very low143 Ų143123.8 Ų123.877%0.76576%0.756SS**  trans-76.3125.5149.1-160.614.7000105.9W86 G90W86-N88 PolarHBondContact O-N 3.2Å; N88-G90 PolarHBondContact O-N 3.1Å
89G37.9Very low45Very low80 Ų80125.6 Ų125.683%0.82576%0.764SS**SBendtrans-47.9124.6-167.400000113.3
90G43.1Very low44.8Very low60 Ų60130.8 Ų130.862%0.61977%0.767SS**  trans167.267.1-176.500000113N88N88-G90 PolarHBondContact O-N 3.1Å
91T41.4Very low44.1Very low136 Ų136132.2 Ų132.283%0.83477%0.774SS**  trans22.7113144.4133.70000117.8
92V46.4Very low44.3Very low148 Ų148133.8 Ų133.890%0.89778%0.784SS**  trans-14587.4139.2-116.40000107.3
93G39.6Very low44.2Very low67 Ų67137.3 Ų137.369%0.69179%0.793SS**  trans-88.7116.3168.800000109.2S95G93-S95 PolarHBondContact O-N 3.01Å
94C38.4Very low44.2Very low130 Ų130133 Ų13388%0.87879%0.792SS**  trans-7686.8163.750.80000109.3
95S42.7Very low44.4Very low107 Ų107136.1 Ų136.175%0.74880%0.8SS**SBendtrans177116.916045.70000106.8G93 Q97G93-S95 PolarHBondContact O-N 3.01Å; S95-Q97 PolarHBondContact O-N 2.82Å
96G38.4Very low44.5Very low69 Ų69132.6 Ų132.671%0.71180%0.802SS**  trans-53.2132.2-167.100000114.5
97Q45.2Very low44.2Very low166 Ų166126 Ų12678%0.77680%0.802SS**  trans-167.1138.5136.6-80.9-42.8-64.100107.7S95 V99S95-Q97 PolarHBondContact O-N 2.82Å; Q97-V99 PolarHBondContact O-N 3.38Å
98P38.9Very low44.4Very low120 Ų120132 Ų13278%0.77981%0.807SS**  trans-87.1108.9177.533-27.6000109.5
99V52.3Low44.5Very low130 Ų130132.6 Ų132.679%0.78881%0.81SS**  trans-122.7105.9171.9-72.30000111.3Q97Q97-V99 PolarHBondContact O-N 3.38Å
100R47.1Very low45.2Very low241 Ų241135 Ų13591%0.90981%0.809SS**  trans26.6119.2149-58.4-77.2-144.3-123.7-3.7118.1
101V38.3Very low45.3Very low138 Ų138136.3 Ų136.384%0.83681%0.813SS**  trans-54129.3168.7-174.80000112
102C46.2Very low45.6Very low126 Ų126141.4 Ų141.485%0.85182%0.817SS**  trans-126.7124156.2-970000108.4
103E49Very low45.7Very low176 Ų176137.4 Ų137.482%0.82281%0.806SS**  trans-61144-176.2-74.8149.985.500114.4
104P50.4Low46.2Very low127 Ų127145.3 Ų145.383%0.82582%0.815SS**  trans-97.2113.6164.332.5-22.2000110.6
105L57.1Low47.2Very low168 Ų168145.2 Ų145.288%0.8881%0.813SS**  trans-58.8149.4170.3-79.1158000112.1
106P47.6Very low47.6Very low120 Ų120145.5 Ų145.578%0.77982%0.815SS**  trans-82141.6-167.733.5-33.4000112.2
107G38.2Very low48.3Very low80 Ų80151.8 Ų151.883%0.82582%0.823SS**  trans69.890.7144.500000117.1
108R50Low48.6Very low240 Ų240148.7 Ų148.791%0.90683%0.825SS**  trans-126.490.7154.1-157.9165.9165.6-137.7-2110.1V110R108-V110 PolarHBondContact O-N 2.86Å
109N46.8Very low49.4Very low156 Ų156147 Ų14783%0.83482%0.822SS**  trans-50.9114.8164.7-97.1-74000109.3A111N109-A111 PolarHBondContact O-N 3.15Å
110V53.1Low50.1Low131 Ų131146.3 Ų146.379%0.79482%0.82SS**  trans-80.674.6167-74.60000108.8R108 W112R108-V110 PolarHBondContact O-N 2.86Å; V110-W112 PolarHBondContact O-N 3.43Å
111A45Very low51.4Low86 Ų86140.2 Ų140.271%0.71181%0.811SS**  trans-70.8122.616700000108.6N109 G113N109-A111 PolarHBondContact O-N 3.15Å; A111-G113 PolarHBondContact O-N 3.47Å
112W47.2Very low52.9Low243 Ų243139.1 Ų139.192%0.9281%0.807SS**  trans-70.969.1169.4-70.788.4000109.5V110 W114V110-W112 PolarHBondContact O-N 3.43Å; W112-W114 PolarHBondContact O-N 3.42Å
113G47.9Very low53.3Low64 Ų64141.2 Ų141.266%0.6681%0.807SS**  trans-74.2113.6173.500000109.5A111A111-G113 PolarHBondContact O-N 3.47Å
114W50.2Low53.7Low233 Ų233140.7 Ų140.788%0.88381%0.809SS**  trans-57.5143.1162-64.718.4000106.9W112 S116W112-W114 PolarHBondContact O-N 3.42Å; W114-S116 PolarHBondContact O-N 3.29Å
115P59.2Low53.6Low128 Ų128139.8 Ų139.883%0.83181%0.805SS**  trans-62.6106.6174.127-30.9000106.6K117P115-K117 PolarHBondContact O-N 3.44Å; P115-K117 VanDerWaalsContact O-N 3.09Å
116S51.1Low53Low114 Ų114136.9 Ų136.980%0.79780%0.799SS**  trans-51121.5163.3-690000105.8W114 A118W114-S116 PolarHBondContact O-N 3.29Å; S116-A118 PolarHBondContact O-N 2.8Å; S116-A118 VanDerWaalsContact O-N 3.14Å
117K54.7Low53.3Low201 Ų201139 Ų13987%0.87480%0.802SS**  trans-23.5116.5173.1-74159.6166.3-101.80110.2P115 A119P115-K117 PolarHBondContact O-N 3.44Å; P115-K117 VanDerWaalsContact O-N 3.09Å; K117-A119 PolarHBondContact O-N 2.96Å
118A49.6Very low53.8Low100 Ų100142.5 Ų142.583%0.82680%0.8SS**PPolyproline II helixtrans-46.6116.4172.900000108.2S116S116-A118 PolarHBondContact O-N 2.8Å; S116-A118 VanDerWaalsContact O-N 3.14Å
119A57Low53.3Low86 Ų86134.4 Ų134.471%0.71179%0.792SS**PPolyproline II helixtrans-56.2136.4173.200000108.4K117K117-A119 PolarHBondContact O-N 2.96Å
120P66.9Low53.3Low114 Ų114131.9 Ų131.974%0.7479%0.793SS**PPolyproline II helixtrans-64.6142.8174.227.5-31.9000109.4
121P73.6Confident53Low113 Ų113132.8 Ų132.873%0.73480%0.799SS**PPolyproline II helixtrans-61.2147.7173.626.1-33.2000110.3M123P121-M123 PolarHBondContact O-N 2.89Å
122P69.8Low52.8Low116 Ų116132.5 Ų132.575%0.75380%0.804SS**PPolyproline II helixtrans-62.2124.1173.927.3-32.4000108.8L124P122-L124 PolarHBondContact O-N 3.11Å; P122-L124 VanDerWaalsContact O-N 3.1Å
123M55.6Low52.7Low169 Ų169124.7 Ų124.783%0.83380%0.799SS**  trans-55.6108.9168.352.7-146.5100.800109.7P121 S125P121-M123 PolarHBondContact O-N 2.89Å; M123-S125 PolarHBondContact O-N 3.5Å
124L56Low52.6Low165 Ų165127 Ų12786%0.86481%0.805SS**  trans-72.4104167.2-73.3173000107.5P122 S126P122-L124 PolarHBondContact O-N 3.11Å; P122-L124 VanDerWaalsContact O-N 3.1Å; L124-S126 PolarHBondContact O-N 2.79Å; L124-S126 VanDerWaalsContact O-N 3.11Å
125S49.3Very low52.5Low108 Ų108120 Ų12076%0.75579%0.791SS**  trans-61.8110.1169.5-62.40000109.3M123 I127M123-S125 PolarHBondContact O-N 3.5Å; S125-I127 PolarHBondContact O-N 3.47Å; S125-I127 VanDerWaalsContact O-N 3.16Å
126S44.1Very low52Low108 Ų108124.7 Ų124.776%0.75579%0.792SS**  trans-66.8103.9162-58.80000108.6L124L124-S126 PolarHBondContact O-N 2.79Å; L124-S126 VanDerWaalsContact O-N 3.11Å
127I54.4Low52Low163 Ų163126 Ų12684%0.83679%0.789SS**  trans-99.8110.1154-70.1178.2000106.7S125S125-I127 PolarHBondContact O-N 3.47Å; S125-I127 VanDerWaalsContact O-N 3.16Å
128I47.4Very low51.4Low154 Ų154123.1 Ų123.179%0.7978%0.783SS**  trans-71.7134.1175.2-71.8160.9000109
129G40.4Very low51.5Low70 Ų70124.4 Ų124.472%0.72279%0.786SS**  trans84101.3136.800000118.1
130A46.1Very low50.9Low104 Ų104126.3 Ų126.386%0.8679%0.789SS**  -165120.6124.200000110
131T47.1Very low50.1Low150 Ų150126.8 Ų126.892%0.9280%0.795SS**  trans-55.5144.5173.547.40000114.1
132G42.4Very low48.6Very low80 Ų80126.6 Ų126.683%0.82579%0.791SS**  trans149.399.2149.500000117.2
133G43.2Very low47.7Very low78 Ų78130.1 Ų130.180%0.80480%0.8SS**  trans97.499.1134.700000118.7
134S47.1Very low47.1Very low112 Ų112128.2 Ų128.278%0.78380%0.798SS**  138.795.9100.9-144.80000114.2
135S47.2Very low46.7Very low86 Ų86127.9 Ų127.960%0.60180%0.797SS**  59.8114.7121.7-43.20000122
136R49.4Very low46.6Very low227 Ų227128 Ų12886%0.85780%0.799SS**  76.3138.3125.3-64.1176.1-164.3-142.22.8115.6
137I51.6Low46.8Very low141 Ų141126.6 Ų126.672%0.72380%0.801SS**  cis-171.5139.232.720.8167.7000108.6
138D42Very low46.2Very low142 Ų142122 Ų12276%0.75979%0.793SS**  trans39.9125.9136.1-54.6-69.2000122.8
139S51.7Low46.3Very low126 Ų126122.5 Ų122.588%0.88180%0.797SS**  -170.3107.7128.9-76.30000110.8
140V43Very low46.5Very low127 Ų127126 Ų12677%0.7780%0.799SS**  trans-85.3141.8170.472.90000109.8
141S50.7Low46.4Very low124 Ų124130.7 Ų130.787%0.86780%0.8SS**  trans-142100.5160.2-75.80000109.4
142T43.3Very low46.2Very low108 Ų108131.2 Ų131.266%0.66380%0.797SS**  trans-55.1128.2167-55.90000111
143M49.3Very low46.5Very low190 Ų190132.7 Ų132.794%0.93679%0.791SS**  trans-146.6114.4137.5-76.7-145.5155.200110.6
144T43.8Very low46.6Very low129 Ų129135.5 Ų135.579%0.79179%0.793SS**  trans-58.7132.9170.541.90000112.5
145N47.3Very low46.4Very low158 Ų158133 Ų13385%0.84579%0.785SS**  trans-137.6127.5145.8-148.9-26000110.4
146S47Very low46.6Very low112 Ų112136.6 Ų136.678%0.78380%0.798SS**  trans-74.3141.2-168.332.90000114.2
147G48Very low46.6Very low78 Ų78130.5 Ų130.580%0.80480%0.796SS**  trans169.372.1167.300000113.4
148G41.8Very low46Very low65 Ų65129.6 Ų129.667%0.6780%0.801SS**  trans-59.3159.1172.300000112.6
149L50Low46.4Very low166 Ų166127.6 Ų127.687%0.86980%0.796SS**  -145.4138.965.9-68.6168.9000112.6
150N44.3Very low46Very low144 Ų144132.5 Ų132.577%0.7780%0.796SS**  trans-79.2142.7175.6-59.9-76.2000111.6
151F44.1Very low46.1Very low201 Ų201130 Ų13088%0.88280%0.797SS**  trans-144.480.5154.4-83.8-76.5000111.4
152L42.9Very low46Very low162 Ų162133.4 Ų133.485%0.84880%0.801SS**  trans-151.2160.5148-78.7175.2000104.6
153P49.2Very low46.2Very low110 Ų110137 Ų13771%0.71481%0.811SS**  cis-135.6-162.9-6.530.7-6.9000111.8
154T44.4Very low46Very low137 Ų137132.7 Ų132.784%0.8481%0.805SS**  trans112.3115147.3-33.30000117
155G43.8Very low46.4Very low60 Ų60130.3 Ų130.362%0.61981%0.806SS**  trans117.1123.2131.800000118.1
156N51.5Low47Very low161 Ų161126.7 Ų126.786%0.86180%0.798SS**  trans93.592.1152.5-52.59.5000115.2
157A48.2Very low47.3Very low99 Ų99127.3 Ų127.382%0.81880%0.8SS**  74.2113.375.700000113.4
158C39.8Very low47.5Very low122 Ų122133.6 Ų133.682%0.82480%0.8SS**  trans-52.7162.6169.8-30.40000111.4
159P49.8Very low48.7Very low101 Ų101135.8 Ų135.866%0.65680%0.803SS**  -153.8-17760.328.2-0.9000115.3
160Y44.6Very low48.9Very low228 Ų228135.4 Ų135.489%0.89480%0.797SS**  trans87.8124.5168.7-59.9-80.6000119.2
161G44.4Very low49.4Very low76 Ų76134.9 Ų134.978%0.78480%0.799SS**  trans12183.4135.800000116.3
162M48.7Very low49.9Very low194 Ų194132.4 Ų132.496%0.95679%0.792SS**  trans-60.6130.8157.9-72.2-80.8145.100110.6
163Q46.8Very low50.3Low185 Ų185132 Ų13286%0.86479%0.789SS**  trans-15090.8158.5-160.116230.100108.1
164A46.5Very low50.5Low99 Ų99133.7 Ų133.782%0.81879%0.792SS**  59.1102.891.100000113
165G52.5Low51.2Low78 Ų78134.2 Ų134.280%0.80479%0.79SS**  trans168.4102.4166.600000115.1
166A58.1Low52.2Low83 Ų83135.9 Ų135.969%0.68679%0.79SS**  trans85.5106.6162.200000119.4
167P53.5Low52Low125 Ų125134.1 Ų134.181%0.81279%0.787SS**  trans-84.6114.3159.732-24.5000109.5P169P167-P169 WeakPolarHBondContact O-CD 3.29Å
168Y53.8Low52Low209 Ų209140.4 Ų140.482%0.8279%0.79SS**  trans-79119.7160.9-80-86.5000108.3Q170Y168-Q170 PolarHBondContact O-N 3.22Å; Y168-Q170 VanDerWaalsContact O-N 3.15Å
169P65.3Low52.5Low112 Ų112141.5 Ų141.573%0.72778%0.783SS**  trans-68.6115.2169.927.3-30.3000108.5P167 V171P167-P169 WeakPolarHBondContact O-CD 3.29Å; P169-V171 PolarHBondContact O-N 3.47Å
170Q54.9Low52.3Low158 Ų158144.4 Ų144.474%0.73879%0.788SS**  trans-59.1104.9163.6-76-84.1-69.400108Y168 M172Y168-Q170 PolarHBondContact O-N 3.22Å; Y168-Q170 VanDerWaalsContact O-N 3.15Å; Q170-M172 PolarHBondContact O-N 3.45Å
171V55.5Low52.4Low133 Ų133140.6 Ų140.681%0.80678%0.783SS**  trans-74.779.9170.3-153.10000107.3P169 L173P169-V171 PolarHBondContact O-N 3.47Å; V171-L173 VanDerWaalsContact C-N 3.29Å; V171-L173 PolarHBondContact O-N 3.05Å
172M53.2Low52.8Low149 Ų149142.4 Ų142.473%0.73478%0.784SS**  trans-69.887.9167.1-80.4-82.6178.300107.9Q170 N174Q170-M172 PolarHBondContact O-N 3.45Å; M172-N174 VanDerWaalsContact C-N 3.31Å; M172-N174 PolarHBondContact O-N 3.38Å
173L52.7Low53.2Low152 Ų152140.7 Ų140.780%0.79678%0.777SS**  trans-78.388.6168.5-162.471000108.4V171 N175V171-L173 VanDerWaalsContact C-N 3.29Å; V171-L173 PolarHBondContact O-N 3.05Å; L173-N175 PolarHBondContact O-N 3.05Å
174N53.3Low53.8Low146 Ų146136.1 Ų136.178%0.78177%0.77SS**  trans-54.3114.5163.8-92.4-9.9000109.1M172M172-N174 VanDerWaalsContact C-N 3.31Å; M172-N174 PolarHBondContact O-N 3.38Å
175N59.1Low54.2Low148 Ų148138.8 Ų138.879%0.79177%0.77SS**  trans-103.6110.7168.8-138.2-27.3000107.7L173L173-N175 PolarHBondContact O-N 3.05Å
176P63.9Low54.8Low95 Ų95140.8 Ų140.862%0.61777%0.769SS**  trans-72.8154.1174.730.1-32.6000110.6R178P176-R178 PolarHBondContact O-N 3.42Å
177P47.8Very low54.8Low124 Ų124146.8 Ų146.881%0.80578%0.78SS**  trans-76.691.1-177.732-31.2000109E179P177-E179 PolarHBondContact O-N 3.44Å
178R48.1Very low54.7Low232 Ų232149.8 Ų149.888%0.87579%0.785SS**  trans-87.689172.3-157.5-176.4-180175.51110.3P176P176-R178 PolarHBondContact O-N 3.42Å
179E50.4Low54.8Low144 Ų144149.2 Ų149.267%0.67379%0.787SS**  trans5.4120.6136.1-58.7-116124.300116.4P177P177-E179 PolarHBondContact O-N 3.44Å
180Q44.4Very low54.3Low162 Ų162153 Ų15376%0.75780%0.795SS**  trans40.291.6130.6-60.1174.713.300116.3
181N47.3Very low53.8Low149 Ų149155.8 Ų155.880%0.79780%0.8SS**  trans-151.2118.5138.2-93.6-55.9000109I183N181-I183 PolarHBondContact O-N 3.02Å; N181-I183 VanDerWaalsContact O-N 3.13Å
182S53.9Low53.5Low114 Ų114151.6 Ų151.680%0.79778%0.784SS**  trans-51.6110.7174.847.60000110.9A184S182-A184 PolarHBondContact O-N 2.94Å
183I56.4Low53.1Low158 Ų158153.1 Ų153.181%0.8179%0.789SS**  trans-69.9104.9161.6-60.9172.7000105.7N181 L185N181-I183 PolarHBondContact O-N 3.02Å; N181-I183 VanDerWaalsContact O-N 3.13Å; I183-L185 PolarHBondContact O-N 3.03Å
184A58.1Low52.7Low89 Ų89148.9 Ų148.974%0.73678%0.783SS**  trans-59.9106.6172.500000108.7S182S182-A184 PolarHBondContact O-N 2.94Å
185L55.5Low52.6Low155 Ų155152.3 Ų152.381%0.81279%0.786SS**  trans-60.7133166.2-83.4124.7000108.3I183 K187I183-L185 PolarHBondContact O-N 3.03Å; L185-K187 PolarHBondContact O-N 3.04Å
186P66.5Low52.2Low120 Ų120149.7 Ų149.778%0.77979%0.785SS**  trans-56.4126.1173.421.5-29.7000108.6M188P186-M188 PolarHBondContact O-N 3.41Å
187K56.9Low51.5Low209 Ų209150.6 Ų150.691%0.90979%0.789SS**  trans-48115.6-179.5-83.5-169.9165129.30109.7L185 K189L185-K187 PolarHBondContact O-N 3.04Å; K187-K189 PolarHBondContact O-N 3.17Å; K187-K189 VanDerWaalsContact O-N 3.16Å
188M51.1Low51.5Low188 Ų188149 Ų14993%0.92679%0.786SS**  trans-59.2119.4161.3-102.2-173.4158.700107.5P186 Q190P186-M188 PolarHBondContact O-N 3.41Å; M188-Q190 PolarHBondContact O-N 3.17Å; M188-Q190 VanDerWaalsContact O-N 3.14Å
189K56.7Low51.4Low197 Ų197142.8 Ų142.886%0.85778%0.784SS**  trans-59.3115167.4-153.5163.5-176.5178.40106.3K187 Y191K187-K189 PolarHBondContact O-N 3.17Å; K187-K189 VanDerWaalsContact O-N 3.16Å; K189-Y191 VanDerWaalsContact C-N 3.34Å; K189-Y191 PolarHBondContact O-N 3.35Å
190Q54.5Low51.3Low191 Ų191140 Ų14089%0.89379%0.785SS**  trans-54.5100.2168.4-92.6171.1-99.600107.8M188 G192M188-Q190 PolarHBondContact O-N 3.17Å; M188-Q190 VanDerWaalsContact O-N 3.14Å; Q190-G192 PolarHBondContact O-N 3.02Å
191Y45.2Very low51.6Low216 Ų216135.5 Ų135.585%0.84778%0.776SS**  trans-8777.7155.3-135.9-84.3000106K189K189-Y191 VanDerWaalsContact C-N 3.34Å; K189-Y191 PolarHBondContact O-N 3.35Å
192G47.5Very low51.7Low46 Ų46132 Ų13247%0.47477%0.768SS.*  trans-71.3152.2161.900000109.1Q190Q190-G192 PolarHBondContact O-N 3.02Å
193Q44.8Very low51.5Low180 Ų180130.5 Ų130.584%0.84176%0.762SS**SBendtrans7097.3168.7-56.3-81.925.100114.7
194G44.9Very low51.3Low64 Ų64127.1 Ų127.166%0.6676%0.758SS**  trans-167.9-23.5168.400000116
195Y52Low50.9Low218 Ų218128 Ų12886%0.85576%0.758SS**SBendtrans-104.860.6-176.148.2-91000111.9
196A49.3Very low50.7Low93 Ų93128 Ų12877%0.76976%0.756SS**SBendtrans-151.9-12.2170.800000117.3
197V50.8Low49.8Very low114 Ų114129.5 Ų129.569%0.69176%0.757SS**SBendtrans-122.4-8.1-170.2-173.70000115A199V197-A199 VanDerWaalsContact C-N 3.33Å; V197-A199 PolarHBondContact O-N 3.17Å
198A47Very low49.5Very low91 Ų91126.4 Ų126.475%0.75276%0.756SS**THydrogen-bonded Turntrans-75.8-12.9-177.100000115.2
199A45.4Very low49Very low101 Ų101120.9 Ų120.984%0.83575%0.747SS**THydrogen-bonded Turntrans-87.3-13.5179.300000114.1V197V197-A199 VanDerWaalsContact C-N 3.33Å; V197-A199 PolarHBondContact O-N 3.17Å
200A48.6Very low48.4Very low84 Ų84116.7 Ų116.769%0.69475%0.75SS**THydrogen-bonded Turntrans-95.5-18.1-179.200000113.9
201A50.3Low47.8Very low69 Ų69110.9 Ų110.957%0.5774%0.741SS**SBendtrans-87-16.1-176.700000114.5A203A201-A203 VanDerWaalsContact C-N 3.31Å; A201-A203 PolarHBondContact O-N 3.47Å
202A50.7Low47.8Very low75 Ų75107.6 Ų107.662%0.6274%0.738SS**THydrogen-bonded Turntrans-77.8-10.6-176.800000114.5
203A50.2Low47.8Very low82 Ų82109.1 Ų109.168%0.67874%0.741SS**THydrogen-bonded Turntrans-87.7-11.2-179.600000114.1A201A201-A203 VanDerWaalsContact C-N 3.31Å; A201-A203 PolarHBondContact O-N 3.47Å
204A51.6Low47.8Very low88 Ų88110.8 Ų110.873%0.72774%0.741SS**SBendtrans-91.1-9.9-173.500000114.9M206A204-M206 VanDerWaalsContact C-N 3.34Å; A204-M206 PolarHBondContact O-N 3.27Å
205S49.7Very low48.2Very low106 Ų106112.6 Ų112.674%0.74175%0.75SS**  trans-91.616.5-171.7-48.30000114.8L207S205-L207 PolarHBondContact O-N 3.23Å
206M50.8Low48.1Very low156 Ų156108.3 Ų108.377%0.76875%0.749SS**  trans-86.88.1-172.9-62.3-75.7177.500115A204A204-M206 VanDerWaalsContact C-N 3.34Å; A204-M206 PolarHBondContact O-N 3.27Å
207L48.7Very low47.9Very low152 Ų152108.3 Ų108.380%0.79675%0.749SS**  trans-137.795177.9-80.3102.1000111.3S205S205-L207 PolarHBondContact O-N 3.23Å
208T50.6Low47.8Very low143 Ų143109 Ų10988%0.87776%0.757SS**  trans168.4114.1143.141.50000107.1
209G39.1Very low47.6Very low73 Ų73112.4 Ų112.475%0.75376%0.758SS**  82.890.3108.500000110.4
210A45.3Very low47.2Very low109 Ų109118.6 Ų118.690%0.90176%0.761SS**  65.2113.695.400000113.8
211G42.2Very low47.1Very low69 Ų69118.3 Ų118.371%0.71177%0.766SS**  trans105.4123.5146.700000117.3
212N44.7Very low47.1Very low146 Ų146121.7 Ų121.778%0.78178%0.78SS**  trans75.299.3150-62.3-20.2000119.3
213S46.9Very low47Very low78 Ų78123.4 Ų123.455%0.54579%0.787SS.*  55139110-46.80000120.8
214Y46.2Very low47Very low216 Ų216124.7 Ų124.785%0.84779%0.789SS**  trans82.9105159.3-29-72.7000118.4
215A53.2Low47.1Very low102 Ų102127.9 Ų127.984%0.84379%0.793SS**  trans-151.5109.9139.900000110.1
216P49.6Very low47.3Very low127 Ų127129.1 Ų129.183%0.82580%0.797SS**  trans-88.8171.217235.2-31.6000112.9
217A43.9Very low47.6Very low94 Ų94129.4 Ų129.478%0.77780%0.8SS**  trans-63.7145.3-171.700000117.4
218C49.2Very low47.6Very low127 Ų127129.9 Ų129.986%0.85880%0.802SS**  trans-144.799.5151.7-68.10000106.5
219Q42.2Very low47.2Very low164 Ų164134.3 Ų134.377%0.76682%0.819SS**  33.8122.295.4-72.8-172.72.300115.3
220Y38.6Very low47.6Very low231 Ų231137.4 Ų137.491%0.90682%0.823SS**  trans144.3118.3143.3-83.1-72.3000110.3
221G45.3Very low47.7Very low77 Ų77138.9 Ų138.979%0.79482%0.819SS**  trans15865.2170.700000114.8
222T50Low48Very low141 Ų141142.8 Ų142.887%0.86583%0.825SS**  trans-56.4126.5170.654.10000112.1
223S48.9Very low48.2Very low110 Ų110142.6 Ų142.677%0.76983%0.827SS**  trans-165.8112.9140.2-162.60000110.2
224P50.5Low48.3Very low110 Ų110146.6 Ų146.671%0.71485%0.845SS**  trans-80.7126.7170.932.9-27.2000107.7
225N53.4Low48.5Very low154 Ų154142 Ų14282%0.82485%0.845SS**  trans175.174.2153.3-89.9-44.9000109.2
226T54.8Low48.1Very low132 Ų132144.9 Ų144.981%0.8185%0.845SS**  trans-144.480158-53.10000106.8L228T226-L228 PolarHBondContact O-N 3.43Å
227I56.5Low48Very low162 Ų162146.2 Ų146.283%0.83185%0.846SS**  trans-70.5117.7160.4-72.1-170.2000106.4L229I227-L229 PolarHBondContact O-N 3.47Å
228L49.2Very low48.3Very low162 Ų162150.6 Ų150.685%0.84885%0.852SS**  trans-52.4120.6166.3-75.9161.7000110.6T226T226-L228 PolarHBondContact O-N 3.43Å
229L41.5Very low48.3Very low237 Ų237152.7 Ų152.7100%1.24185%0.852SS**  trans-153.70152.4-106.7162000109.3I227I227-L229 PolarHBondContact O-N 3.47Å

Retrieved 229 of 229 residues in 353.7 ms (Link to these results)