A0A077Z5T4_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z5T4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 105 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
1M50.4Low64.3Low158 Ų15898.5 Ų98.578%0.77855%0.553SS**  0122.80-155.778.2167.700106.1S13M1-S13 WeakPolarHBondContact CB-OG 3.03Å; M1-S13 WeakPolarHBondContact O-CB 3.06Å; M1-S13 PolarHBondContact O-N 3.44Å; M1-S13 PolarHBondContact O-OG 3.38Å
2A58.1Low64.1Low61 Ų61104.6 Ų104.650%0.50457%0.574SS.*EExtended strand (participates in β ladder)trans-94.5138.616900000107.2I10 R11A2-I10 HydrophobicContact CB-CG2 3.76Å; A2-R11 WeakPolarHBondContact CA-O 2.93Å
3Y60.4Low63.8Low99 Ų9999.2 Ų99.239%0.38855%0.548SS..EExtended strand (participates in β ladder)trans-121.2148.3172.165.8-83.6000109.3T5 R11Y3-T5 HydrophobicContact CE2-CG2 4.07Å; Y3-R11 WeakPolarHBondContact CD1-O 3.16Å; Y3-R11 HydrophobicContact CE1-CB 4.19Å; Y3-R11 HydrophobicContact CE2-CB 4.35Å; Y3-R11 PolarHBondContact N-O 3.14Å; Y3-R11 PolarHBondContact O-N 3.17Å
4I62.3Low63.6Low107 Ų107105.2 Ų105.255%0.54957%0.566SS.*EExtended strand (participates in β ladder)trans-92122179.1-57.3173.6000106.7I10I4-I10 HydrophobicContact CG1-CG1 4.46Å
5T64.1Low63.3Low28 Ų28104.1 Ų104.117%0.17257%0.567CS.*  trans-70.8162.7171.8600000110.2Y3 S7 G8 E9 R11Y3-T5 HydrophobicContact CE2-CG2 4.07Å; T5-S7 PolarHBondContact O-N 3.48Å; T5-S7 PolarHBondContact OG1-OG 3.29Å; T5-G8 PolarHBondContact O-N 2.87Å; T5-E9 HydrophobicContact CG2-CB 4.45Å; T5-E9 PolarHBondContact N-O 3.27Å; T5-E9 WeakPolarHBondContact OG1-CB 3.43Å; T5-E9 PolarHBondContact OG1-N 2.65Å; T5-E9 PolarHBondContact OG1-O 3.22Å; T5-R11 HydrophobicContact CG2-CG 3.97Å
6S66.9Low63.2Low143 Ų143102.4 Ų102.4100%156%0.556SS**THydrogen-bonded Turntrans-58.7-15.1173.253.40000114
7S75.9Confident63.2Low84 Ų84101.7 Ų101.759%0.58756%0.556SS**THydrogen-bonded Turntrans-88.1117357.30000114.3T5 E9T5-S7 PolarHBondContact O-N 3.48Å; T5-S7 PolarHBondContact OG1-OG 3.29Å; S7-E9 VanDerWaalsContact C-N 3.28Å; S7-E9 PolarHBondContact O-N 2.69Å
8G68.3Low63.4Low50 Ų5099.6 Ų99.652%0.51555%0.548SS..SBendtrans787-175.800000114.4T5 I10T5-G8 PolarHBondContact O-N 2.87Å; G8-I10 PolarHBondContact O-N 3.4Å
9E69.5Low63.9Low94 Ų9499.6 Ų99.644%0.43954%0.539SS..  trans-76.2123.3175.3-63.1-178.4167.100109.8T5 S7 R11T5-E9 HydrophobicContact CG2-CB 4.45Å; T5-E9 PolarHBondContact N-O 3.27Å; T5-E9 WeakPolarHBondContact OG1-CB 3.43Å; T5-E9 PolarHBondContact OG1-N 2.65Å; T5-E9 PolarHBondContact OG1-O 3.22Å; S7-E9 VanDerWaalsContact C-N 3.28Å; S7-E9 PolarHBondContact O-N 2.69Å; E9-R11 HydrophobicContact CB-CG 4.33Å; E9-R11 PolarHBondContact O-N 3.15Å; E9-R11 VanDerWaalsContact O-N 3.17Å; E9-R11 IonicContact OE2-CZ 3.31Å; E9-R11 VanDerWaalsContact OE2-CZ 3.31Å; E9-R11 IonicContact OE2-NE 2.97Å; E9-R11 PolarHBondContact OE2-NE 2.73Å; E9-R11 IonicContact OE2-NH2 2.76Å; E9-R11 PolarHBondContact OE2-NH2 3.39Å
10I68.2Low64.2Low129 Ų12997.1 Ų97.166%0.66253%0.525SS*.EExtended strand (participates in β ladder)trans-75104.4168.8-57.8175.6000106.7A2 I4 G8A2-I10 HydrophobicContact CB-CG2 3.76Å; I4-I10 HydrophobicContact CG1-CG1 4.46Å; G8-I10 PolarHBondContact O-N 3.4Å
11R62.9Low64.6Low130 Ų13097.3 Ų97.349%0.49153%0.525SS..EExtended strand (participates in β ladder)trans-102.5126.2173.1-68-169.3176.3-139.7-1.9109.1A2 Y3 T5 E9 S13A2-R11 WeakPolarHBondContact CA-O 2.93Å; Y3-R11 WeakPolarHBondContact CD1-O 3.16Å; Y3-R11 HydrophobicContact CE1-CB 4.19Å; Y3-R11 HydrophobicContact CE2-CB 4.35Å; Y3-R11 PolarHBondContact N-O 3.14Å; Y3-R11 PolarHBondContact O-N 3.17Å; T5-R11 HydrophobicContact CG2-CG 3.97Å; E9-R11 HydrophobicContact CB-CG 4.33Å; E9-R11 PolarHBondContact O-N 3.15Å; E9-R11 VanDerWaalsContact O-N 3.17Å; E9-R11 IonicContact OE2-CZ 3.31Å; E9-R11 VanDerWaalsContact OE2-CZ 3.31Å; E9-R11 IonicContact OE2-NE 2.97Å; E9-R11 PolarHBondContact OE2-NE 2.73Å; E9-R11 IonicContact OE2-NH2 2.76Å; E9-R11 PolarHBondContact OE2-NH2 3.39Å; R11-S13 PolarHBondContact O-N 3.25Å
12E61.8Low65.9Low172 Ų17294.8 Ų94.880%0.80452%0.515SS*.EExtended strand (participates in β ladder)trans-67.6114.6169.4-66.7-175.8166.900108.2K14E12-K14 PolarHBondContact O-N 2.86Å
13S60.9Low66.8Low34 Ų3495.1 Ų95.124%0.23851%0.508CS..  trans-66.2111.3164.174.90000105.7M1 R11M1-S13 WeakPolarHBondContact CB-OG 3.03Å; M1-S13 WeakPolarHBondContact O-CB 3.06Å; M1-S13 PolarHBondContact O-N 3.44Å; M1-S13 PolarHBondContact O-OG 3.38Å; R11-S13 PolarHBondContact O-N 3.25Å
14K60.7Low67.6Low184 Ų18494.6 Ų94.680%0.851%0.512SS*.  trans-48.9130.8165.1-69.9-178.9179.4179.10107E12 L16E12-K14 PolarHBondContact O-N 2.86Å; K14-L16 PolarHBondContact O-N 2.95Å; K14-L16 VanDerWaalsContact O-N 3.12Å
15P59.7Low68.4Low88 Ų8894 Ų9457%0.57151%0.509SS*.  trans-55.3126.9178.823.9-32.5000107.4V17 P18P15-V17 PolarHBondContact O-N 3.48Å; P15-P18 HydrophobicContact CB-CG 4.43Å; P15-P18 HydrophobicContact CG-CG 3.98Å; P15-P18 WeakPolarHBondContact O-CD 3.31Å
16L60.6Low69.1Low77 Ų7795.2 Ų95.240%0.40352%0.522SS..SBendtrans-69.4-7175.5-72.5162.2000111.4K14 W19 V77 F81K14-L16 PolarHBondContact O-N 2.95Å; K14-L16 VanDerWaalsContact O-N 3.12Å; L16-W19 VanDerWaalsContact C-CD1 3.49Å; L16-W19 VanDerWaalsContact CA-NE1 3.25Å; L16-W19 HydrophobicContact CD2-CZ2 4.2Å; L16-W19 PolarHBondContact O-NE1 3.43Å; L16-V77 HydrophobicContact CD1-CG1 4.43Å; L16-F81 HydrophobicContact CD1-CD2 3.81Å; L16-F81 HydrophobicContact CD1-CE2 4.33Å
17V62.9Low69.7Low91 Ų9189.8 Ų89.855%0.55248%0.482SS*.Hα-helixtrans-75.2-42.4-171-173.50000113.4P15 L20 L21P15-V17 PolarHBondContact O-N 3.48Å; V17-L20 PolarHBondContact O-N 3.22Å; V17-L21 HydrophobicContact CG1-CD1 4.04Å; V17-L21 HydrophobicContact CG1-CG 4.38Å; V17-L21 WeakPolarHBondContact O-CG 3.48Å; V17-L21 PolarHBondContact O-N 2.93Å
18P67.8Low69.7Low63 Ų6393 Ų9341%0.40948%0.483SS..Hα-helixtrans-64.1-45.3-177.1-23.536.5000112.8P15 L20 L21 D22P15-P18 HydrophobicContact CB-CG 4.43Å; P15-P18 HydrophobicContact CG-CG 3.98Å; P15-P18 WeakPolarHBondContact O-CD 3.31Å; P18-L20 VanDerWaalsContact C-N 3.25Å; P18-L20 PolarHBondContact O-N 2.73Å; P18-L21 PolarHBondContact O-N 3.4Å; P18-D22 VanDerWaalsContact O-CG 3.23Å; P18-D22 PolarHBondContact O-N 3.25Å
19W72.4Confident70.2Confident100 Ų10095.7 Ų95.738%0.37948%0.482SS..Hα-helixtrans-66.1-31.5179.973.4-98000112.3L16 D22 L23 V77L16-W19 VanDerWaalsContact C-CD1 3.49Å; L16-W19 VanDerWaalsContact CA-NE1 3.25Å; L16-W19 HydrophobicContact CD2-CZ2 4.2Å; L16-W19 PolarHBondContact O-NE1 3.43Å; W19-D22 PolarHBondContact O-N 2.97Å; W19-L23 HydrophobicContact CZ3-CD2 4.13Å; W19-L23 WeakPolarHBondContact O-CB 3.38Å; W19-L23 PolarHBondContact O-N 2.84Å; W19-V77 HydrophobicContact CH2-CG2 3.94Å; W19-V77 HydrophobicContact CZ2-CG1 4.47Å; W19-V77 HydrophobicContact CZ2-CG2 4.13Å
20L70.5Confident70.7Confident49 Ų4997.4 Ų97.426%0.25749%0.488SS..Hα-helixtrans-69.8-40176.5-178.868.6000111.2V17 P18 L23 L24 L74V17-L20 PolarHBondContact O-N 3.22Å; P18-L20 VanDerWaalsContact C-N 3.25Å; P18-L20 PolarHBondContact O-N 2.73Å; L20-L23 PolarHBondContact O-N 3.33Å; L20-L24 WeakPolarHBondContact O-CB 3.44Å; L20-L24 PolarHBondContact O-N 3.34Å; L20-L74 HydrophobicContact CD1-CD2 3.53Å; L20-L74 HydrophobicContact CD1-CG 4.36Å; L20-L74 HydrophobicContact CD2-CD2 3.51Å; L20-L74 HydrophobicContact CG-CD2 4.09Å
21L71.3Confident71Confident102 Ų10293 Ų9353%0.53447%0.466SS..Hα-helixtrans-65.8-42.7173-72.6172.7000111.3V17 P18 L23 L24 L25V17-L21 HydrophobicContact CG1-CD1 4.04Å; V17-L21 HydrophobicContact CG1-CG 4.38Å; V17-L21 WeakPolarHBondContact O-CG 3.48Å; V17-L21 PolarHBondContact O-N 2.93Å; P18-L21 PolarHBondContact O-N 3.4Å; L21-L23 VanDerWaalsContact C-N 3.31Å; L21-L23 PolarHBondContact O-N 2.91Å; L21-L24 PolarHBondContact O-N 3.39Å; L21-L25 VanDerWaalsContact O-CB 3.31Å; L21-L25 WeakPolarHBondContact O-CB 3.4Å; L21-L25 PolarHBondContact O-N 2.87Å
22D78.1Confident71.6Confident106 Ų10692.7 Ų92.757%0.56747%0.468SS*.Hα-helixtrans-60.9-41.8175.4-66.8-25.9000111.1P18 W19 L25 A26P18-D22 VanDerWaalsContact O-CG 3.23Å; P18-D22 PolarHBondContact O-N 3.25Å; W19-D22 PolarHBondContact O-N 2.97Å; D22-L25 PolarHBondContact O-N 3.47Å; D22-A26 WeakPolarHBondContact O-CB 3.36Å; D22-A26 PolarHBondContact O-N 2.63Å
23L77.1Confident72.4Confident68 Ų6889.4 Ų89.436%0.35646%0.456SS..Hα-helixtrans-63.9-44.5175.3-176.270.6000111.6W19 L20 L21 L25 A26 V27 L70W19-L23 HydrophobicContact CZ3-CD2 4.13Å; W19-L23 WeakPolarHBondContact O-CB 3.38Å; W19-L23 PolarHBondContact O-N 2.84Å; L20-L23 PolarHBondContact O-N 3.33Å; L21-L23 VanDerWaalsContact C-N 3.31Å; L21-L23 PolarHBondContact O-N 2.91Å; L23-L25 VanDerWaalsContact C-N 3.33Å; L23-A26 PolarHBondContact O-N 3.38Å; L23-V27 WeakPolarHBondContact O-CB 3.4Å; L23-V27 WeakPolarHBondContact O-CG2 3.29Å; L23-V27 PolarHBondContact O-N 3.32Å; L23-L70 HydrophobicContact CD2-CD1 3.98Å
24L76.8Confident73Confident88 Ų8891.3 Ų91.346%0.46146%0.46SS..Hα-helixtrans-64.1-40.2177.9-173.871000111.3L20 L21 V27 Y28 L70L20-L24 WeakPolarHBondContact O-CB 3.44Å; L20-L24 PolarHBondContact O-N 3.34Å; L21-L24 PolarHBondContact O-N 3.39Å; L24-V27 PolarHBondContact O-N 2.91Å; L24-Y28 WeakPolarHBondContact O-CB 3.24Å; L24-Y28 PolarHBondContact O-N 2.83Å; L24-L70 HydrophobicContact CD1-CD2 3.57Å
25L79.4Confident73.5Confident94 Ų9485.5 Ų85.549%0.49244%0.44SS..Hα-helixtrans-65.1-46.1176.4-172.967.3000111L21 D22 L23 V27 Y28 E29L21-L25 VanDerWaalsContact O-CB 3.31Å; L21-L25 WeakPolarHBondContact O-CB 3.4Å; L21-L25 PolarHBondContact O-N 2.87Å; D22-L25 PolarHBondContact O-N 3.47Å; L23-L25 VanDerWaalsContact C-N 3.33Å; L25-V27 VanDerWaalsContact C-N 3.3Å; L25-V27 PolarHBondContact O-N 3.36Å; L25-Y28 WeakPolarHBondContact O-CB 3.45Å; L25-Y28 PolarHBondContact O-N 2.87Å; L25-Y28 VanDerWaalsContact O-N 3.11Å; L25-E29 WeakPolarHBondContact O-CG 3.36Å; L25-E29 PolarHBondContact O-N 2.93Å
26A79.5Confident74.1Confident53 Ų5383.4 Ų83.444%0.43843%0.425SS..Hα-helixtrans-60.4-39.7176.400000112.1D22 L23 F30D22-A26 WeakPolarHBondContact O-CB 3.36Å; D22-A26 PolarHBondContact O-N 2.63Å; L23-A26 PolarHBondContact O-N 3.38Å; A26-F30 WeakPolarHBondContact O-CB 3.42Å; A26-F30 PolarHBondContact O-N 3.11Å
27V79.7Confident74.6Confident29 Ų2983.6 Ų83.618%0.17643%0.427CS..Hα-helixtrans-62.4-45.4173158.90000111.2L23 L24 L25 F30 L31 L66L23-V27 WeakPolarHBondContact O-CB 3.4Å; L23-V27 WeakPolarHBondContact O-CG2 3.29Å; L23-V27 PolarHBondContact O-N 3.32Å; L24-V27 PolarHBondContact O-N 2.91Å; L25-V27 VanDerWaalsContact C-N 3.3Å; L25-V27 PolarHBondContact O-N 3.36Å; V27-F30 PolarHBondContact O-N 3.31Å; V27-L31 HydrophobicContact CG1-CD1 4.05Å; V27-L31 VanDerWaalsContact O-CG 3.32Å; V27-L31 WeakPolarHBondContact O-CG 3.25Å; V27-L31 PolarHBondContact O-N 3.47Å; V27-L66 HydrophobicContact CB-CD2 4.39Å; V27-L66 HydrophobicContact CG1-CD2 3.41Å; V27-L66 VanDerWaalsContact CG1-CD2 3.41Å; V27-L66 HydrophobicContact CG1-CG 4.01Å; V27-L66 HydrophobicContact CG2-CD1 4.3Å; V27-L66 HydrophobicContact CG2-CD2 4.35Å
28Y76.1Confident74.8Confident151 Ų15180.9 Ų80.959%0.59241%0.409SS*.Hα-helixtrans-64.7-44.6178.9-177-94.1000112.3L24 L25 F30 L31 F32L24-Y28 WeakPolarHBondContact O-CB 3.24Å; L24-Y28 PolarHBondContact O-N 2.83Å; L25-Y28 WeakPolarHBondContact O-CB 3.45Å; L25-Y28 PolarHBondContact O-N 2.87Å; L25-Y28 VanDerWaalsContact O-N 3.11Å; Y28-F30 VanDerWaalsContact C-N 3.34Å; Y28-F30 PolarHBondContact O-N 2.87Å; Y28-L31 PolarHBondContact O-N 3.28Å; Y28-F32 WeakPolarHBondContact O-CB 3.48Å; Y28-F32 PolarHBondContact O-N 3Å
29E77.4Confident74.8Confident108 Ų10884.8 Ų84.851%0.50542%0.42SS..Hα-helixtrans-60.6-43.2175.8-75.2-173.917100111.6L25 F32 L33L25-E29 WeakPolarHBondContact O-CG 3.36Å; L25-E29 PolarHBondContact O-N 2.93Å; E29-F32 PolarHBondContact O-N 3.47Å; E29-L33 WeakPolarHBondContact O-CB 3.39Å; E29-L33 VanDerWaalsContact O-CG 3.31Å; E29-L33 WeakPolarHBondContact O-CG 3.45Å; E29-L33 PolarHBondContact O-N 3Å
30F80.5Confident74.6Confident130 Ų13089.4 Ų89.457%0.5744%0.437SS*.Hα-helixtrans-60.3-47175.6177.3-96.3000111.7A26 V27 Y28 F32 L33 F34A26-F30 WeakPolarHBondContact O-CB 3.42Å; A26-F30 PolarHBondContact O-N 3.11Å; V27-F30 PolarHBondContact O-N 3.31Å; Y28-F30 VanDerWaalsContact C-N 3.34Å; Y28-F30 PolarHBondContact O-N 2.87Å; F30-F32 VanDerWaalsContact C-N 3.34Å; F30-F32 PolarHBondContact O-N 3.42Å; F30-L33 PolarHBondContact O-N 2.93Å; F30-F34 WeakPolarHBondContact O-CB 3.31Å; F30-F34 PolarHBondContact O-N 2.84Å
31L75.6Confident74.3Confident37 Ų3793.3 Ų93.319%0.19446%0.457CS..Hα-helixtrans-61-43.8176.7-73.4167.9000111.6V27 Y28 F34 V35 L63 L66V27-L31 HydrophobicContact CG1-CD1 4.05Å; V27-L31 VanDerWaalsContact O-CG 3.32Å; V27-L31 WeakPolarHBondContact O-CG 3.25Å; V27-L31 PolarHBondContact O-N 3.47Å; Y28-L31 PolarHBondContact O-N 3.28Å; L31-F34 PolarHBondContact O-N 2.83Å; L31-V35 WeakPolarHBondContact O-CB 3.32Å; L31-V35 VanDerWaalsContact O-CG2 3.23Å; L31-V35 WeakPolarHBondContact O-CG2 3.28Å; L31-V35 PolarHBondContact O-N 3.32Å; L31-L63 HydrophobicContact CD1-CD1 3.36Å; L31-L63 HydrophobicContact CD2-CB 4.46Å; L31-L63 HydrophobicContact CD2-CD1 3.64Å; L31-L63 HydrophobicContact CG-CD1 4.13Å; L31-L66 HydrophobicContact CD1-CD2 4.16Å; L31-L66 HydrophobicContact CD2-CD2 4.21Å; L31-L66 HydrophobicContact CG-CD2 4.16Å
32F75.8Confident73.9Confident122 Ų12291.2 Ų91.254%0.53545%0.446SS..Hα-helixtrans-62.5-46.5178.4-176.7-95000111.9Y28 E29 F30 T36Y28-F32 WeakPolarHBondContact O-CB 3.48Å; Y28-F32 PolarHBondContact O-N 3Å; E29-F32 PolarHBondContact O-N 3.47Å; F30-F32 VanDerWaalsContact C-N 3.34Å; F30-F32 PolarHBondContact O-N 3.42Å; F32-T36 VanDerWaalsContact O-CB 3.29Å; F32-T36 WeakPolarHBondContact O-CB 3.2Å; F32-T36 PolarHBondContact O-N 3.36Å; F32-T36 PolarHBondContact O-OG1 3.12Å
33L77.6Confident72.9Confident103 Ų10391 Ų9154%0.53945%0.451SS..Hα-helixtrans-64.6-40.1176.6-73.1173.1000111.8E29 F30 N37E29-L33 WeakPolarHBondContact O-CB 3.39Å; E29-L33 VanDerWaalsContact O-CG 3.31Å; E29-L33 WeakPolarHBondContact O-CG 3.45Å; E29-L33 PolarHBondContact O-N 3Å; F30-L33 PolarHBondContact O-N 2.93Å; L33-N37 WeakPolarHBondContact O-CB 3.49Å; L33-N37 PolarHBondContact O-N 3.35Å; L33-N37 PolarHBondContact O-ND2 3.35Å
34F74.6Confident72Confident75 Ų7591.1 Ų91.133%0.32947%0.469SS..Hα-helixtrans-62.5-53.4178.2-177.8-104.7000110.8F30 L31 T36 N37 L38 A59F30-F34 WeakPolarHBondContact O-CB 3.31Å; F30-F34 PolarHBondContact O-N 2.84Å; L31-F34 PolarHBondContact O-N 2.83Å; F34-T36 VanDerWaalsContact C-N 3.34Å; F34-T36 PolarHBondContact O-N 2.85Å; F34-N37 PolarHBondContact O-N 3.48Å; F34-L38 HydrophobicContact CD1-CD1 3.77Å; F34-L38 HydrophobicContact CD1-CG 4.43Å; F34-L38 HydrophobicContact CE1-CD1 3.35Å; F34-L38 HydrophobicContact CE1-CG 4.19Å; F34-L38 HydrophobicContact CZ-CD1 3.79Å; F34-L38 HydrophobicContact CZ-CD2 4.38Å; F34-L38 HydrophobicContact CZ-CG 4.28Å; F34-L38 WeakPolarHBondContact O-CG 3.28Å; F34-L38 PolarHBondContact O-N 2.91Å; F34-A59 HydrophobicContact CD1-CB 4.41Å; F34-A59 HydrophobicContact CE1-CB 3.72Å
35V71.1Confident71.1Confident62 Ų6297.1 Ų97.138%0.37649%0.485SS..Hα-helixtrans-59.5-44.1177.9173.20000111.3L31 N37 L38 F39L31-V35 WeakPolarHBondContact O-CB 3.32Å; L31-V35 VanDerWaalsContact O-CG2 3.23Å; L31-V35 WeakPolarHBondContact O-CG2 3.28Å; L31-V35 PolarHBondContact O-N 3.32Å; V35-N37 PolarHBondContact O-N 2.9Å; V35-L38 PolarHBondContact O-N 3.46Å; V35-F39 HydrophobicContact CG1-CD2 3.75Å; V35-F39 HydrophobicContact CG1-CE2 3.41Å; V35-F39 VanDerWaalsContact CG1-CE2 3.41Å; V35-F39 WeakPolarHBondContact O-CD2 3.35Å; V35-F39 PolarHBondContact O-N 3.49Å; V35-F39 VanDerWaalsContact O-N 3.14Å
36T71.3Confident70.2Confident44 Ų4496.6 Ų96.627%0.2750%0.502SS..Hα-helixtrans-62.9-40.3178.4-57.30000112.2F32 F34 R40F32-T36 VanDerWaalsContact O-CB 3.29Å; F32-T36 WeakPolarHBondContact O-CB 3.2Å; F32-T36 PolarHBondContact O-N 3.36Å; F32-T36 PolarHBondContact O-OG1 3.12Å; F34-T36 VanDerWaalsContact C-N 3.34Å; F34-T36 PolarHBondContact O-N 2.85Å; T36-R40 PolarHBondContact O-N 2.89Å
37N71Confident69.2Low80 Ų80102.5 Ų102.543%0.42852%0.521SS..Hα-helixtrans-68-38.4176.3-81.8-58.1000112L33 F34 V35 F39 R40 L41L33-N37 WeakPolarHBondContact O-CB 3.49Å; L33-N37 PolarHBondContact O-N 3.35Å; L33-N37 PolarHBondContact O-ND2 3.35Å; F34-N37 PolarHBondContact O-N 3.48Å; V35-N37 PolarHBondContact O-N 2.9Å; N37-F39 PolarHBondContact O-N 3.42Å; N37-R40 PolarHBondContact O-N 2.86Å; N37-L41 WeakPolarHBondContact O-CD1 3.23Å; N37-L41 PolarHBondContact O-N 2.86Å; N37-L41 VanDerWaalsContact O-N 3.15Å
38L67.8Low68.5Low34 Ų34103.2 Ų103.218%0.17852%0.524CS..Hα-helixtrans-60-45.3176.8-73178.1000112.3F34 V35 R40 L41 V55 A59F34-L38 HydrophobicContact CD1-CD1 3.77Å; F34-L38 HydrophobicContact CD1-CG 4.43Å; F34-L38 HydrophobicContact CE1-CD1 3.35Å; F34-L38 HydrophobicContact CE1-CG 4.19Å; F34-L38 HydrophobicContact CZ-CD1 3.79Å; F34-L38 HydrophobicContact CZ-CD2 4.38Å; F34-L38 HydrophobicContact CZ-CG 4.28Å; F34-L38 WeakPolarHBondContact O-CG 3.28Å; F34-L38 PolarHBondContact O-N 2.91Å; V35-L38 PolarHBondContact O-N 3.46Å; L38-R40 VanDerWaalsContact C-N 3.3Å; L38-R40 PolarHBondContact O-N 3.5Å; L38-L41 PolarHBondContact O-N 2.82Å; L38-L41 VanDerWaalsContact O-N 3.17Å; L38-V55 HydrophobicContact CB-CG1 4.02Å; L38-V55 HydrophobicContact CD1-CG1 3.51Å; L38-V55 HydrophobicContact CD2-CG1 3.34Å; L38-V55 HydrophobicContact CG-CG1 3.78Å; L38-A59 HydrophobicContact CD1-CB 4.1Å
39F68.2Low68.1Low146 Ų146100.9 Ų100.964%0.6453%0.525SS*.Hα-helixtrans-67-29.8177.6-74.5-64.9000113.3V35 N37 L41V35-F39 HydrophobicContact CG1-CD2 3.75Å; V35-F39 HydrophobicContact CG1-CE2 3.41Å; V35-F39 VanDerWaalsContact CG1-CE2 3.41Å; V35-F39 WeakPolarHBondContact O-CD2 3.35Å; V35-F39 PolarHBondContact O-N 3.49Å; V35-F39 VanDerWaalsContact O-N 3.14Å; N37-F39 PolarHBondContact O-N 3.42Å; F39-L41 VanDerWaalsContact C-N 3.3Å
40R67.9Low67.8Low197 Ų197101.2 Ų101.274%0.74353%0.534SS*.Hα-helixtrans-71.1-25.3173.8-76.4-176.9177.81610.4113.4T36 N37 L38T36-R40 PolarHBondContact O-N 2.89Å; N37-R40 PolarHBondContact O-N 2.86Å; L38-R40 VanDerWaalsContact C-N 3.3Å; L38-R40 PolarHBondContact O-N 3.5Å
41L63.1Low67.3Low130 Ų13097.5 Ų97.568%0.68153%0.527SS*.THydrogen-bonded Turntrans-90.24-174.6-84.2157.6000114.5N37 L38 F39 P43N37-L41 WeakPolarHBondContact O-CD1 3.23Å; N37-L41 PolarHBondContact O-N 2.86Å; N37-L41 VanDerWaalsContact O-N 3.15Å; L38-L41 PolarHBondContact O-N 2.82Å; L38-L41 VanDerWaalsContact O-N 3.17Å; F39-L41 VanDerWaalsContact C-N 3.3Å; L41-P43 WeakPolarHBondContact O-CD 3.43Å
42L63.2Low67Low58 Ų5896.9 Ų96.930%0.30453%0.528SS..  trans-103.583.2179.9-80.4154.5000111.6G44 D48 A52L42-G44 PolarHBondContact O-N 3.45Å; L42-D48 HydrophobicContact CD2-CB 4.46Å; L42-A52 HydrophobicContact CD1-CB 3.99Å; L42-A52 HydrophobicContact CD2-CB 3.69Å
43P56.5Low66.9Low103 Ų10395.2 Ų95.267%0.66953%0.528SS*.  trans-82.9112.9175.231.8-33.1000112.1L41 R45 D48L41-P43 WeakPolarHBondContact O-CD 3.43Å; P43-R45 PolarHBondContact O-N 3.24Å; P43-D48 VanDerWaalsContact C-OD2 3.29Å
44G59.6Low66.9Low70 Ų7093.1 Ų93.172%0.72253%0.525SS*.  trans-43.3110.5-176.600000118L42 D48L42-G44 PolarHBondContact O-N 3.45Å; G44-D48 VanDerWaalsContact C-OD2 3.26Å; G44-D48 WeakPolarHBondContact CA-OD2 3.49Å; G44-D48 PolarHBondContact N-OD2 3.18Å
45R57.3Low66.9Low214 Ų21491.8 Ų91.881%0.80852%0.523SS*.SBendtrans-149.7136.6146.1-67.9-160.5172.2169.4-0.8108.5P43 Q47 D48P43-R45 PolarHBondContact O-N 3.24Å; R45-Q47 PolarHBondContact O-N 3.4Å; R45-D48 PolarHBondContact N-OD2 3.02Å; R45-D48 WeakPolarHBondContact O-CB 3.44Å; R45-D48 PolarHBondContact O-N 2.89Å; R45-D48 VanDerWaalsContact O-OD2 3.1Å
46G60.8Low67Low83 Ų8392.1 Ų92.186%0.85653%0.525SS*.THydrogen-bonded Turntrans-52.27.6-167.800000121
47Q58.1Low67.4Low177 Ų17794.1 Ų94.183%0.82753%0.534SS*.THydrogen-bonded Turntrans-84.3-10.5159.4-71.8-175.3-32.900113R45 V49R45-Q47 PolarHBondContact O-N 3.4Å; Q47-V49 VanDerWaalsContact C-N 3.25Å; Q47-V49 PolarHBondContact O-N 2.97Å
48D64.8Low67.7Low44 Ų4493 Ų9324%0.23554%0.535CS..Hα-helixtrans-68.3-18.8-176.1-67.3-20.3000114.4L42 P43 G44 R45 V50 A51 A52L42-D48 HydrophobicContact CD2-CB 4.46Å; P43-D48 VanDerWaalsContact C-OD2 3.29Å; G44-D48 VanDerWaalsContact C-OD2 3.26Å; G44-D48 WeakPolarHBondContact CA-OD2 3.49Å; G44-D48 PolarHBondContact N-OD2 3.18Å; R45-D48 PolarHBondContact N-OD2 3.02Å; R45-D48 WeakPolarHBondContact O-CB 3.44Å; R45-D48 PolarHBondContact O-N 2.89Å; R45-D48 VanDerWaalsContact O-OD2 3.1Å; D48-V50 VanDerWaalsContact C-N 3.32Å; D48-V50 PolarHBondContact O-N 3.41Å; D48-A51 PolarHBondContact O-N 3.42Å; D48-A52 WeakPolarHBondContact O-CA 3.34Å; D48-A52 WeakPolarHBondContact O-CB 3.35Å; D48-A52 PolarHBondContact O-N 2.92Å
49V68.4Low68Low102 Ų10292.2 Ų92.262%0.61853%0.534SS*.Hα-helixtrans-65.6-41-177.9-176.60000110.3Q47 T53Q47-V49 VanDerWaalsContact C-N 3.25Å; Q47-V49 PolarHBondContact O-N 2.97Å; V49-T53 VanDerWaalsContact O-CB 3.28Å; V49-T53 WeakPolarHBondContact O-CB 3.33Å; V49-T53 PolarHBondContact O-N 2.9Å; V49-T53 PolarHBondContact O-OG1 3.45Å
50V71.4Confident68.3Low115 Ų11590.8 Ų90.870%0.69753%0.529SS*.Hα-helixtrans-69.2-43.2178.4-178.20000110.6D48 T53 A54D48-V50 VanDerWaalsContact C-N 3.32Å; D48-V50 PolarHBondContact O-N 3.41Å; V50-T53 PolarHBondContact O-N 3.37Å; V50-A54 WeakPolarHBondContact O-CB 3.49Å; V50-A54 PolarHBondContact O-N 2.91Å
51A69.7Low68.8Low51 Ų5187.5 Ų87.542%0.42152%0.524SS..Hα-helixtrans-64.6-44.917700000111.8D48 T53 A54 V55D48-A51 PolarHBondContact O-N 3.42Å; A51-T53 VanDerWaalsContact C-N 3.34Å; A51-T53 PolarHBondContact O-N 2.91Å; A51-A54 PolarHBondContact O-N 3.41Å; A51-V55 WeakPolarHBondContact O-CB 3.36Å; A51-V55 VanDerWaalsContact O-CG2 3.25Å; A51-V55 WeakPolarHBondContact O-CG2 3.35Å; A51-V55 PolarHBondContact O-N 2.9Å
52A69.5Low69.4Low25 Ų2583.9 Ų83.921%0.20751%0.513CS..Hα-helixtrans-59.9-44.4174.300000111.3L42 D48 V55 V56L42-A52 HydrophobicContact CD1-CB 3.99Å; L42-A52 HydrophobicContact CD2-CB 3.69Å; D48-A52 WeakPolarHBondContact O-CA 3.34Å; D48-A52 WeakPolarHBondContact O-CB 3.35Å; D48-A52 PolarHBondContact O-N 2.92Å; A52-V55 PolarHBondContact O-N 3.32Å; A52-V56 WeakPolarHBondContact O-CB 3.46Å; A52-V56 VanDerWaalsContact O-CG2 3.24Å; A52-V56 WeakPolarHBondContact O-CG2 3.32Å; A52-V56 PolarHBondContact O-N 2.95Å
53T72.7Confident70Confident87 Ų8784.6 Ų84.653%0.53452%0.517SS..Hα-helixtrans-64.9-43178.9-54.70000111.1V49 V50 A51 V55 V56 L57V49-T53 VanDerWaalsContact O-CB 3.28Å; V49-T53 WeakPolarHBondContact O-CB 3.33Å; V49-T53 PolarHBondContact O-N 2.9Å; V49-T53 PolarHBondContact O-OG1 3.45Å; V50-T53 PolarHBondContact O-N 3.37Å; A51-T53 VanDerWaalsContact C-N 3.34Å; A51-T53 PolarHBondContact O-N 2.91Å; T53-V55 VanDerWaalsContact C-N 3.32Å; T53-V55 PolarHBondContact O-N 2.86Å; T53-V56 PolarHBondContact O-N 2.82Å; T53-L57 WeakPolarHBondContact O-CB 3.32Å; T53-L57 PolarHBondContact O-N 3.31Å
54A77.6Confident70.9Confident59 Ų5983 Ų8349%0.48851%0.508SS..Hα-helixtrans-62.9-40.3176.500000111.9V50 A51 L57 A58V50-A54 WeakPolarHBondContact O-CB 3.49Å; V50-A54 PolarHBondContact O-N 2.91Å; A51-A54 PolarHBondContact O-N 3.41Å; A54-L57 PolarHBondContact O-N 3.48Å; A54-A58 WeakPolarHBondContact O-CB 3.37Å; A54-A58 PolarHBondContact O-N 3.3Å
55V74.3Confident71.7Confident47 Ų4781.8 Ų81.829%0.28550%0.495SS..Hα-helixtrans-64.2-45.2175161.70000111.7L38 A51 A52 T53 A58 A59L38-V55 HydrophobicContact CB-CG1 4.02Å; L38-V55 HydrophobicContact CD1-CG1 3.51Å; L38-V55 HydrophobicContact CD2-CG1 3.34Å; L38-V55 HydrophobicContact CG-CG1 3.78Å; A51-V55 WeakPolarHBondContact O-CB 3.36Å; A51-V55 VanDerWaalsContact O-CG2 3.25Å; A51-V55 WeakPolarHBondContact O-CG2 3.35Å; A51-V55 PolarHBondContact O-N 2.9Å; A52-V55 PolarHBondContact O-N 3.32Å; T53-V55 VanDerWaalsContact C-N 3.32Å; T53-V55 PolarHBondContact O-N 2.86Å; V55-A58 PolarHBondContact O-N 2.86Å; V55-A59 WeakPolarHBondContact O-CB 3.05Å; V55-A59 PolarHBondContact O-N 3.37Å
56V74.7Confident72.7Confident68 Ų6874.5 Ų74.541%0.41247%0.472SS..Hα-helixtrans-63-45.5176.7169.80000110.4A52 T53 A58 A59 E60A52-V56 WeakPolarHBondContact O-CB 3.46Å; A52-V56 VanDerWaalsContact O-CG2 3.24Å; A52-V56 WeakPolarHBondContact O-CG2 3.32Å; A52-V56 PolarHBondContact O-N 2.95Å; T53-V56 PolarHBondContact O-N 2.82Å; V56-A58 VanDerWaalsContact C-N 3.34Å; V56-A58 PolarHBondContact O-N 2.9Å; V56-A59 CarbonylContact O-C 3.59Å; V56-A59 WeakPolarHBondContact O-CA 3.36Å; V56-A59 WeakPolarHBondContact O-CB 3.46Å; V56-A59 PolarHBondContact O-N 3.34Å; V56-A59 VanDerWaalsContact O-N 3.12Å; V56-E60 HydrophobicContact CG1-CG 4.48Å; V56-E60 WeakPolarHBondContact O-CG 3.37Å; V56-E60 PolarHBondContact O-N 3.46Å
57L78.5Confident73.4Confident87 Ų8773.6 Ų73.646%0.45545%0.45SS..Hα-helixtrans-61.7-41.7177-171.771.6000111.7T53 A54 A59 E60 M61T53-L57 WeakPolarHBondContact O-CB 3.32Å; T53-L57 PolarHBondContact O-N 3.31Å; A54-L57 PolarHBondContact O-N 3.48Å; L57-A59 VanDerWaalsContact C-N 3.32Å; L57-A59 PolarHBondContact O-N 2.87Å; L57-E60 PolarHBondContact O-N 2.86Å; L57-M61 HydrophobicContact CD1-CE 4.42Å; L57-M61 HydrophobicContact CD2-CE 4.18Å; L57-M61 HydrophobicContact CG-CE 4.1Å; L57-M61 WeakPolarHBondContact O-CB 3.31Å; L57-M61 WeakPolarHBondContact O-CG 3.45Å; L57-M61 PolarHBondContact O-N 2.83Å
58A77.3Confident74.4Confident56 Ų5669.1 Ų69.146%0.46344%0.435SS..Hα-helixtrans-63.2-38.9174.600000111.7A54 V55 V56 M61 A62A54-A58 WeakPolarHBondContact O-CB 3.37Å; A54-A58 PolarHBondContact O-N 3.3Å; V55-A58 PolarHBondContact O-N 2.86Å; V56-A58 VanDerWaalsContact C-N 3.34Å; V56-A58 PolarHBondContact O-N 2.9Å; A58-M61 PolarHBondContact O-N 3.37Å; A58-A62 VanDerWaalsContact O-CB 3.32Å; A58-A62 WeakPolarHBondContact O-CB 3.32Å; A58-A62 PolarHBondContact O-N 3.06Å
59A73.6Confident75Confident18 Ų1868.9 Ų68.915%0.14944%0.443CS..Hα-helixtrans-64.8-43174.400000111.9F34 L38 V55 V56 L57 A62 L63F34-A59 HydrophobicContact CD1-CB 4.41Å; F34-A59 HydrophobicContact CE1-CB 3.72Å; L38-A59 HydrophobicContact CD1-CB 4.1Å; V55-A59 WeakPolarHBondContact O-CB 3.05Å; V55-A59 PolarHBondContact O-N 3.37Å; V56-A59 CarbonylContact O-C 3.59Å; V56-A59 WeakPolarHBondContact O-CA 3.36Å; V56-A59 WeakPolarHBondContact O-CB 3.46Å; V56-A59 PolarHBondContact O-N 3.34Å; V56-A59 VanDerWaalsContact O-N 3.12Å; L57-A59 VanDerWaalsContact C-N 3.32Å; L57-A59 PolarHBondContact O-N 2.87Å; A59-A62 PolarHBondContact O-N 3.43Å; A59-L63 VanDerWaalsContact O-CB 3.28Å; A59-L63 WeakPolarHBondContact O-CB 3.37Å; A59-L63 PolarHBondContact O-N 2.86Å
60E75.5Confident75.5Confident115 Ų11565.4 Ų65.454%0.53742%0.421SS..Hα-helixtrans-62.9-44.2175.4-74.3-17816900111.7V56 L57 L63 S64V56-E60 HydrophobicContact CG1-CG 4.48Å; V56-E60 WeakPolarHBondContact O-CG 3.37Å; V56-E60 PolarHBondContact O-N 3.46Å; L57-E60 PolarHBondContact O-N 2.86Å; E60-L63 PolarHBondContact O-N 3.2Å; E60-S64 WeakPolarHBondContact O-CB 3.35Å; E60-S64 PolarHBondContact O-N 3.41Å
61M77.8Confident75.7Confident128 Ų12866.1 Ų66.163%0.63142%0.416SS*.Hα-helixtrans-62.9-43175.5-73.1-175.1177.200111.6L57 A58 S64 G65L57-M61 HydrophobicContact CD1-CE 4.42Å; L57-M61 HydrophobicContact CD2-CE 4.18Å; L57-M61 HydrophobicContact CG-CE 4.1Å; L57-M61 WeakPolarHBondContact O-CB 3.31Å; L57-M61 WeakPolarHBondContact O-CG 3.45Å; L57-M61 PolarHBondContact O-N 2.83Å; A58-M61 PolarHBondContact O-N 3.37Å; M61-S64 PolarHBondContact O-N 3.41Å; M61-G65 PolarHBondContact O-N 2.77Å
62A76.6Confident76.1Confident55 Ų5565.6 Ų65.646%0.45542%0.416SS..Hα-helixtrans-62.4-43.4175.700000111.5A58 A59 G65 L66A58-A62 VanDerWaalsContact O-CB 3.32Å; A58-A62 WeakPolarHBondContact O-CB 3.32Å; A58-A62 PolarHBondContact O-N 3.06Å; A59-A62 PolarHBondContact O-N 3.43Å; A62-G65 PolarHBondContact O-N 3.12Å; A62-L66 WeakPolarHBondContact O-CB 3.34Å; A62-L66 PolarHBondContact O-N 3.04Å
63L76Confident76.5Confident73 Ų7367.6 Ų67.638%0.38243%0.426SS..Hα-helixtrans-64.9-42.7177.1-17964.1000111.9L31 A59 E60 G65 L66 T67L31-L63 HydrophobicContact CD1-CD1 3.36Å; L31-L63 HydrophobicContact CD2-CB 4.46Å; L31-L63 HydrophobicContact CD2-CD1 3.64Å; L31-L63 HydrophobicContact CG-CD1 4.13Å; A59-L63 VanDerWaalsContact O-CB 3.28Å; A59-L63 WeakPolarHBondContact O-CB 3.37Å; A59-L63 PolarHBondContact O-N 2.86Å; E60-L63 PolarHBondContact O-N 3.2Å; L63-G65 VanDerWaalsContact C-N 3.35Å; L63-L66 PolarHBondContact O-N 3.27Å; L63-T67 HydrophobicContact CD1-CG2 4.33Å; L63-T67 WeakPolarHBondContact O-CB 3.42Å; L63-T67 VanDerWaalsContact O-CG2 3.31Å; L63-T67 WeakPolarHBondContact O-CG2 3.27Å; L63-T67 PolarHBondContact O-N 3.22Å; L63-T67 PolarHBondContact O-OG1 3.28Å
64S74.4Confident76.7Confident69 Ų6966.3 Ų66.348%0.48342%0.415SS..Hα-helixtrans-63.4-40.8175.7-171.50000111.7E60 M61 T67 T68E60-S64 WeakPolarHBondContact O-CB 3.35Å; E60-S64 PolarHBondContact O-N 3.41Å; M61-S64 PolarHBondContact O-N 3.41Å; S64-T67 WeakPolarHBondContact CA-OG1 3.4Å; S64-T67 PolarHBondContact O-OG1 2.86Å; S64-T68 WeakPolarHBondContact O-CB 3.34Å; S64-T68 PolarHBondContact O-N 3.43Å; S64-T68 PolarHBondContact O-OG1 2.85Å
65G77.1Confident76.6Confident44 Ų4472.3 Ų72.345%0.45443%0.425SS..Hα-helixtrans-64.6-44174.800000112M61 A62 L63 T68 G69M61-G65 PolarHBondContact O-N 2.77Å; A62-G65 PolarHBondContact O-N 3.12Å; L63-G65 VanDerWaalsContact C-N 3.35Å; G65-T68 PolarHBondContact O-N 2.87Å; G65-G69 PolarHBondContact O-N 2.92Å
66L77.5Confident76.6Confident61 Ų6172.1 Ų72.132%0.31943%0.429SS..Hα-helixtrans-65.4-44179.7-171.163.7000112.4V27 L31 A62 L63 G69 L70V27-L66 HydrophobicContact CB-CD2 4.39Å; V27-L66 HydrophobicContact CG1-CD2 3.41Å; V27-L66 VanDerWaalsContact CG1-CD2 3.41Å; V27-L66 HydrophobicContact CG1-CG 4.01Å; V27-L66 HydrophobicContact CG2-CD1 4.3Å; V27-L66 HydrophobicContact CG2-CD2 4.35Å; L31-L66 HydrophobicContact CD1-CD2 4.16Å; L31-L66 HydrophobicContact CD2-CD2 4.21Å; L31-L66 HydrophobicContact CG-CD2 4.16Å; A62-L66 WeakPolarHBondContact O-CB 3.34Å; A62-L66 PolarHBondContact O-N 3.04Å; L63-L66 PolarHBondContact O-N 3.27Å; L66-G69 PolarHBondContact O-N 3.19Å; L66-L70 WeakPolarHBondContact O-CB 3.4Å; L66-L70 PolarHBondContact O-N 2.9Å
67T76.3Confident76.6Confident64 Ų6470.9 Ų70.939%0.39342%0.421SS..Hα-helixtrans-64.6-42.1176.848.80000111.8L63 S64 L70 Q71L63-T67 HydrophobicContact CD1-CG2 4.33Å; L63-T67 WeakPolarHBondContact O-CB 3.42Å; L63-T67 VanDerWaalsContact O-CG2 3.31Å; L63-T67 WeakPolarHBondContact O-CG2 3.27Å; L63-T67 PolarHBondContact O-N 3.22Å; L63-T67 PolarHBondContact O-OG1 3.28Å; S64-T67 WeakPolarHBondContact CA-OG1 3.4Å; S64-T67 PolarHBondContact O-OG1 2.86Å; T67-L70 PolarHBondContact O-N 2.93Å; T67-Q71 WeakPolarHBondContact O-CB 3.4Å; T67-Q71 VanDerWaalsContact O-CG 3.27Å; T67-Q71 WeakPolarHBondContact O-CG 3.46Å; T67-Q71 PolarHBondContact O-N 2.86Å
68T78.1Confident76.5Confident83 Ų8370.5 Ų70.551%0.50943%0.425SS..Hα-helixtrans-64.4-42.8175.6-57.60000111.2S64 G65 Q71 G72S64-T68 WeakPolarHBondContact O-CB 3.34Å; S64-T68 PolarHBondContact O-N 3.43Å; S64-T68 PolarHBondContact O-OG1 2.85Å; G65-T68 PolarHBondContact O-N 2.87Å; T68-Q71 PolarHBondContact O-N 2.76Å; T68-G72 PolarHBondContact O-N 3.26Å
69G78.5Confident76.5Confident40 Ų4071.9 Ų71.941%0.41242%0.424SS..Hα-helixtrans-60.4-46.6174.700000112G65 L66 G72 V73G65-G69 PolarHBondContact O-N 2.92Å; L66-G69 PolarHBondContact O-N 3.19Å; G69-G72 PolarHBondContact O-N 3.4Å; G69-V73 WeakPolarHBondContact O-CG2 3.26Å; G69-V73 PolarHBondContact O-N 3.38Å
70L77.8Confident76.5Confident29 Ų2975.9 Ų75.915%0.15244%0.443CS..Hα-helixtrans-64.8-41.5178.2-171.569.2000112L23 L24 L66 T67 G72 V73 L74L23-L70 HydrophobicContact CD2-CD1 3.98Å; L24-L70 HydrophobicContact CD1-CD2 3.57Å; L66-L70 WeakPolarHBondContact O-CB 3.4Å; L66-L70 PolarHBondContact O-N 2.9Å; T67-L70 PolarHBondContact O-N 2.93Å; L70-G72 VanDerWaalsContact C-N 3.31Å; L70-G72 PolarHBondContact O-N 2.93Å; L70-V73 PolarHBondContact O-N 2.86Å; L70-L74 HydrophobicContact CG-CD1 4.33Å; L70-L74 WeakPolarHBondContact O-CB 3.27Å; L70-L74 WeakPolarHBondContact O-CG 3.44Å; L70-L74 PolarHBondContact O-N 3.2Å
71Q75.4Confident76.2Confident129 Ų12974.7 Ų74.760%0.60344%0.436SS*.Hα-helixtrans-58.9-42.9172.2-77175.6-12.200111.4T67 T68 L74 W75T67-Q71 WeakPolarHBondContact O-CB 3.4Å; T67-Q71 VanDerWaalsContact O-CG 3.27Å; T67-Q71 WeakPolarHBondContact O-CG 3.46Å; T67-Q71 PolarHBondContact O-N 2.86Å; T68-Q71 PolarHBondContact O-N 2.76Å; Q71-L74 PolarHBondContact O-N 3.29Å; Q71-W75 VanDerWaalsContact O-CB 3.26Å; Q71-W75 WeakPolarHBondContact O-CB 3.45Å; Q71-W75 PolarHBondContact O-N 3.5Å
72G79.4Confident75.9Confident41 Ų4175.1 Ų75.142%0.42344%0.436SS..Hα-helixtrans-62.6-41.7175.200000113.1T68 G69 L70 W75 A76T68-G72 PolarHBondContact O-N 3.26Å; G69-G72 PolarHBondContact O-N 3.4Å; L70-G72 VanDerWaalsContact C-N 3.31Å; L70-G72 PolarHBondContact O-N 2.93Å; G72-W75 PolarHBondContact O-N 3.26Å; G72-A76 WeakPolarHBondContact O-CB 3.39Å; G72-A76 PolarHBondContact O-N 3.43Å
73V76.7Confident75.6Confident66 Ų6674.5 Ų74.540%0.443%0.431SS..Hα-helixtrans-63.6-48.1174.8172.50000110.8G69 L70 W75 A76 V77G69-V73 WeakPolarHBondContact O-CG2 3.26Å; G69-V73 PolarHBondContact O-N 3.38Å; L70-V73 PolarHBondContact O-N 2.86Å; V73-W75 VanDerWaalsContact C-N 3.31Å; V73-W75 PolarHBondContact O-N 3.3Å; V73-A76 PolarHBondContact O-N 2.84Å; V73-V77 HydrophobicContact CG1-CG2 4.38Å; V73-V77 VanDerWaalsContact O-CG2 3.27Å; V73-V77 WeakPolarHBondContact O-CG2 3.36Å; V73-V77 PolarHBondContact O-N 3.46Å
74L76.9Confident75.1Confident61 Ų6177 Ų7732%0.31944%0.441SS..Hα-helixtrans-57.5-45.8176.2-78.1168.9000111.4L20 L70 Q71 V77 C78L20-L74 HydrophobicContact CD1-CD2 3.53Å; L20-L74 HydrophobicContact CD1-CG 4.36Å; L20-L74 HydrophobicContact CD2-CD2 3.51Å; L20-L74 HydrophobicContact CG-CD2 4.09Å; L70-L74 HydrophobicContact CG-CD1 4.33Å; L70-L74 WeakPolarHBondContact O-CB 3.27Å; L70-L74 WeakPolarHBondContact O-CG 3.44Å; L70-L74 PolarHBondContact O-N 3.2Å; Q71-L74 PolarHBondContact O-N 3.29Å; L74-V77 PolarHBondContact O-N 2.99Å; L74-C78 WeakPolarHBondContact O-CB 3.37Å; L74-C78 PolarHBondContact O-N 2.83Å; L74-C78 PolarHBondContact O-SG 3.28Å
75W76.1Confident74.6Confident184 Ų18477.6 Ų77.670%0.69744%0.436SS*.Hα-helixtrans-60.2-46.6176.7-172.9-91000111.8Q71 G72 V73 V77 C78 I79Q71-W75 VanDerWaalsContact O-CB 3.26Å; Q71-W75 WeakPolarHBondContact O-CB 3.45Å; Q71-W75 PolarHBondContact O-N 3.5Å; G72-W75 PolarHBondContact O-N 3.26Å; V73-W75 VanDerWaalsContact C-N 3.31Å; V73-W75 PolarHBondContact O-N 3.3Å; W75-V77 VanDerWaalsContact C-N 3.32Å; W75-V77 PolarHBondContact O-N 3.49Å; W75-C78 PolarHBondContact O-N 2.92Å; W75-I79 VanDerWaalsContact CD1-CD1 3.49Å; W75-I79 HydrophobicContact CG-CD1 4.48Å; W75-I79 WeakPolarHBondContact O-CG1 3.34Å; W75-I79 PolarHBondContact O-N 2.97Å
76A74.4Confident73.6Confident44 Ų4484 Ų8436%0.36445%0.446SS..Hα-helixtrans-63.3-37.2176.900000112.5G72 V73 N80G72-A76 WeakPolarHBondContact O-CB 3.39Å; G72-A76 PolarHBondContact O-N 3.43Å; V73-A76 PolarHBondContact O-N 2.84Å; A76-N80 WeakPolarHBondContact O-CB 3.42Å; A76-N80 PolarHBondContact O-N 3.42Å; A76-N80 PolarHBondContact O-ND2 3.25Å
77V75.5Confident72.7Confident41 Ų4190.8 Ų90.825%0.24847%0.468CS..Hα-helixtrans-66.7-45.7174.5172.20000110.6L16 W19 V73 L74 W75 I79 N80 F81L16-V77 HydrophobicContact CD1-CG1 4.43Å; W19-V77 HydrophobicContact CH2-CG2 3.94Å; W19-V77 HydrophobicContact CZ2-CG1 4.47Å; W19-V77 HydrophobicContact CZ2-CG2 4.13Å; V73-V77 HydrophobicContact CG1-CG2 4.38Å; V73-V77 VanDerWaalsContact O-CG2 3.27Å; V73-V77 WeakPolarHBondContact O-CG2 3.36Å; V73-V77 PolarHBondContact O-N 3.46Å; L74-V77 PolarHBondContact O-N 2.99Å; W75-V77 VanDerWaalsContact C-N 3.32Å; W75-V77 PolarHBondContact O-N 3.49Å; V77-I79 PolarHBondContact O-N 2.76Å; V77-N80 PolarHBondContact O-N 3.17Å; V77-F81 WeakPolarHBondContact O-CB 3.45Å; V77-F81 PolarHBondContact O-N 2.95Å
78C76.2Confident71.7Confident80 Ų8090.3 Ų90.354%0.54147%0.465SS..Hα-helixtrans-59.6-46.1177-72.60000111.8L74 W75 N80 F81 E82L74-C78 WeakPolarHBondContact O-CB 3.37Å; L74-C78 PolarHBondContact O-N 2.83Å; L74-C78 PolarHBondContact O-SG 3.28Å; W75-C78 PolarHBondContact O-N 2.92Å; C78-N80 PolarHBondContact O-N 2.93Å; C78-F81 PolarHBondContact O-N 2.86Å; C78-E82 WeakPolarHBondContact O-CB 3.34Å; C78-E82 PolarHBondContact O-N 3.2Å
79I76.5Confident70.6Confident84 Ų8490 Ų9043%0.43146%0.46SS..Hα-helixtrans-61.9-44.8175.9-71.7178.6000111.2W75 V77 F81 E82 A83W75-I79 VanDerWaalsContact CD1-CD1 3.49Å; W75-I79 HydrophobicContact CG-CD1 4.48Å; W75-I79 WeakPolarHBondContact O-CG1 3.34Å; W75-I79 PolarHBondContact O-N 2.97Å; V77-I79 PolarHBondContact O-N 2.76Å; I79-F81 VanDerWaalsContact C-N 3.31Å; I79-F81 PolarHBondContact O-N 3Å; I79-E82 PolarHBondContact O-N 3.45Å; I79-A83 VanDerWaalsContact O-CB 3.27Å; I79-A83 WeakPolarHBondContact O-CB 3.34Å; I79-A83 PolarHBondContact O-N 3.33Å
80N73.9Confident69.3Low102 Ų10293 Ų9355%0.54547%0.466SS..Hα-helixtrans-63.7-39.8178.2-84.5-57.3000111.6A76 V77 C78 A83 Q84A76-N80 WeakPolarHBondContact O-CB 3.42Å; A76-N80 PolarHBondContact O-N 3.42Å; A76-N80 PolarHBondContact O-ND2 3.25Å; V77-N80 PolarHBondContact O-N 3.17Å; C78-N80 PolarHBondContact O-N 2.93Å; N80-A83 PolarHBondContact O-N 3.11Å; N80-Q84 WeakPolarHBondContact O-CB 3.31Å; N80-Q84 VanDerWaalsContact O-CG 3.31Å; N80-Q84 WeakPolarHBondContact O-CG 3.41Å; N80-Q84 PolarHBondContact O-N 3.45Å
81F69.3Low68.1Low91 Ų9195.2 Ų95.240%0.39948%0.482SS..Hα-helixtrans-65.4-44.8176.6-169.3-95.6000111.4L16 V77 C78 I79 Q84 H85L16-F81 HydrophobicContact CD1-CD2 3.81Å; L16-F81 HydrophobicContact CD1-CE2 4.33Å; V77-F81 WeakPolarHBondContact O-CB 3.45Å; V77-F81 PolarHBondContact O-N 2.95Å; C78-F81 PolarHBondContact O-N 2.86Å; I79-F81 VanDerWaalsContact C-N 3.31Å; I79-F81 PolarHBondContact O-N 3Å; F81-Q84 PolarHBondContact O-N 3.42Å; F81-H85 WeakPolarHBondContact O-CB 3.21Å; F81-H85 PolarHBondContact O-N 2.89Å
82E71.1Confident67.1Low136 Ų13692.7 Ų92.764%0.63648%0.475SS*.Hα-helixtrans-62.4-43.7175.6-170.7-178.2168.100111.6C78 I79 Q84 H85 R86C78-E82 WeakPolarHBondContact O-CB 3.34Å; C78-E82 PolarHBondContact O-N 3.2Å; I79-E82 PolarHBondContact O-N 3.45Å; E82-Q84 VanDerWaalsContact C-N 3.34Å; E82-Q84 PolarHBondContact O-N 2.92Å; E82-H85 PolarHBondContact O-N 2.85Å; E82-R86 WeakPolarHBondContact O-CB 3.35Å; E82-R86 PolarHBondContact O-N 3.04Å
83A69.5Low65.9Low42 Ų4296.2 Ų96.235%0.34748%0.481SS..Hα-helixtrans-63.1-38.6176.400000112.3I79 N80 R87I79-A83 VanDerWaalsContact O-CB 3.27Å; I79-A83 WeakPolarHBondContact O-CB 3.34Å; I79-A83 PolarHBondContact O-N 3.33Å; N80-A83 PolarHBondContact O-N 3.11Å; A83-R87 WeakPolarHBondContact O-CG 3.36Å; A83-R87 PolarHBondContact O-N 3.23Å
84Q66.1Low64.8Low127 Ų12796 Ų9659%0.59349%0.486SS*.Hα-helixtrans-68.3-46.3174-76.9-173.8-13.400111.6N80 F81 E82 R86 R87 V88N80-Q84 WeakPolarHBondContact O-CB 3.31Å; N80-Q84 VanDerWaalsContact O-CG 3.31Å; N80-Q84 WeakPolarHBondContact O-CG 3.41Å; N80-Q84 PolarHBondContact O-N 3.45Å; F81-Q84 PolarHBondContact O-N 3.42Å; E82-Q84 VanDerWaalsContact C-N 3.34Å; E82-Q84 PolarHBondContact O-N 2.92Å; Q84-R86 VanDerWaalsContact C-N 3.34Å; Q84-R86 PolarHBondContact O-N 2.86Å; Q84-R87 PolarHBondContact O-N 3.26Å; Q84-V88 WeakPolarHBondContact O-CG2 3.41Å; Q84-V88 PolarHBondContact O-N 3.47Å; Q84-V88 VanDerWaalsContact O-N 3.11Å
85H63.2Low63.8Low80 Ų8095.6 Ų95.637%0.3749%0.491SS..Hα-helixtrans-62-42.3-179.7-163.5-97.1000111.8F81 E82 R87 V88 L89F81-H85 WeakPolarHBondContact O-CB 3.21Å; F81-H85 PolarHBondContact O-N 2.89Å; E82-H85 PolarHBondContact O-N 2.85Å; H85-R87 PolarHBondContact O-N 2.72Å; H85-V88 PolarHBondContact O-N 3.48Å; H85-L89 WeakPolarHBondContact CE1-CD1 3.35Å; H85-L89 WeakPolarHBondContact ND1-CD1 3.34Å; H85-L89 PolarHBondContact O-N 3.49Å
86R58Low62.8Low178 Ų17892.1 Ų92.167%0.67248%0.482SS*.Hα-helixtrans-64.3-37.7177.1-158.8179-156-166.46.9112.7E82 Q84 V88 L90E82-R86 WeakPolarHBondContact O-CB 3.35Å; E82-R86 PolarHBondContact O-N 3.04Å; Q84-R86 VanDerWaalsContact C-N 3.34Å; Q84-R86 PolarHBondContact O-N 2.86Å; R86-V88 VanDerWaalsContact C-N 3.3Å; R86-V88 PolarHBondContact O-N 3.07Å; R86-L90 HydrophobicContact CG-CD1 3.96Å; R86-L90 HydrophobicContact CG-CG 4.47Å; R86-L90 WeakPolarHBondContact O-CD1 3.45Å; R86-L90 VanDerWaalsContact O-CG 3.31Å; R86-L90 WeakPolarHBondContact O-CG 3.27Å; R86-L90 PolarHBondContact O-N 2.99Å
87R57.3Low62Low204 Ų20493.8 Ų93.877%0.7749%0.488SS*.Hα-helixtrans-70.1-25.4176-75.9179.4-177.2174.33113.3A83 Q84 H85 P91A83-R87 WeakPolarHBondContact O-CG 3.36Å; A83-R87 PolarHBondContact O-N 3.23Å; Q84-R87 PolarHBondContact O-N 3.26Å; H85-R87 PolarHBondContact O-N 2.72Å; R87-P91 WeakPolarHBondContact O-CD 3.36Å; R87-P91 WeakPolarHBondContact O-CG 3.08Å
88V56.5Low61Low54 Ų5498.5 Ų98.533%0.32751%0.505SS..Hα-helixtrans-86.3-34.5178.6175.60000111.9Q84 H85 R86 P91 V92Q84-V88 WeakPolarHBondContact O-CG2 3.41Å; Q84-V88 PolarHBondContact O-N 3.47Å; Q84-V88 VanDerWaalsContact O-N 3.11Å; H85-V88 PolarHBondContact O-N 3.48Å; R86-V88 VanDerWaalsContact C-N 3.3Å; R86-V88 PolarHBondContact O-N 3.07Å; V88-P91 WeakPolarHBondContact O-CD 3.41Å; V88-P91 WeakPolarHBondContact O-CG 3.44Å; V88-V92 WeakPolarHBondContact O-CG2 3.31Å
89L53.8Low60.1Low77 Ų77101.1 Ų101.140%0.40351%0.514SS..Hα-helixtrans-79.1-39.7-179-72.5-178.6000114.7H85 V92 E93H85-L89 WeakPolarHBondContact CE1-CD1 3.35Å; H85-L89 WeakPolarHBondContact ND1-CD1 3.34Å; H85-L89 PolarHBondContact O-N 3.49Å; L89-V92 PolarHBondContact O-N 2.88Å; L89-E93 PolarHBondContact O-N 2.97Å
90L52.6Low59.1Low103 Ų103107.2 Ų107.254%0.53953%0.532SS..Hα-helixtrans-57.4-39.5-179.2-73.7168.3000115R86 V92 A94R86-L90 HydrophobicContact CG-CD1 3.96Å; R86-L90 HydrophobicContact CG-CG 4.47Å; R86-L90 WeakPolarHBondContact O-CD1 3.45Å; R86-L90 VanDerWaalsContact O-CG 3.31Å; R86-L90 WeakPolarHBondContact O-CG 3.27Å; R86-L90 PolarHBondContact O-N 2.99Å; L90-V92 VanDerWaalsContact C-N 3.34Å; L90-A94 VanDerWaalsContact O-CB 3.26Å; L90-A94 WeakPolarHBondContact O-CB 3.41Å; L90-A94 PolarHBondContact O-N 3.38Å; L90-A94 VanDerWaalsContact O-N 3.07Å
91P52.1Low58.3Low75 Ų75109.6 Ų109.649%0.48754%0.539SS..Hα-helixtrans-73.6-24.5175.627.1-33.5000113.2R87 V88 A95R87-P91 WeakPolarHBondContact O-CD 3.36Å; R87-P91 WeakPolarHBondContact O-CG 3.08Å; V88-P91 WeakPolarHBondContact O-CD 3.41Å; V88-P91 WeakPolarHBondContact O-CG 3.44Å; P91-A95 WeakPolarHBondContact O-CB 3.39Å; P91-A95 PolarHBondContact O-N 3.3Å
92V54.4Low57.5Low76 Ų76112.3 Ų112.346%0.46155%0.553SS.*Hα-helixtrans-76.1-43.9177.7178.70000110.4V88 L89 L90 A94 A95 E96V88-V92 WeakPolarHBondContact O-CG2 3.31Å; L89-V92 PolarHBondContact O-N 2.88Å; L90-V92 VanDerWaalsContact C-N 3.34Å; V92-A94 VanDerWaalsContact C-N 3.34Å; V92-A94 PolarHBondContact O-N 3.28Å; V92-A95 PolarHBondContact O-N 3.49Å; V92-E96 PolarHBondContact O-N 3.02Å
93E52.9Low56.4Low116 Ų116111.2 Ų111.254%0.54256%0.558SS.*Hα-helixtrans-64.8-39173.3-72.7-178.816400111.5L89 A95 E96 V97L89-E93 PolarHBondContact O-N 2.97Å; E93-A95 VanDerWaalsContact C-N 3.34Å; E93-A95 PolarHBondContact O-N 3.32Å; E93-E96 PolarHBondContact O-N 3.19Å; E93-V97 WeakPolarHBondContact O-CB 3.22Å; E93-V97 WeakPolarHBondContact O-CG2 3.42Å; E93-V97 PolarHBondContact O-N 3.41Å
94A55.1Low55.8Low62 Ų62117.7 Ų117.751%0.51259%0.585SS.*Hα-helixtrans-67.8-32.7175.700000113L90 V92 K98L90-A94 VanDerWaalsContact O-CB 3.26Å; L90-A94 WeakPolarHBondContact O-CB 3.41Å; L90-A94 PolarHBondContact O-N 3.38Å; L90-A94 VanDerWaalsContact O-N 3.07Å; V92-A94 VanDerWaalsContact C-N 3.34Å; V92-A94 PolarHBondContact O-N 3.28Å; A94-K98 WeakPolarHBondContact O-CB 3.15Å; A94-K98 PolarHBondContact O-N 2.96Å
95A55.4Low55.4Low52 Ų52120.1 Ų120.143%0.4362%0.616SS.*Hα-helixtrans-72.9-43.9174.400000111.8P91 V92 E93 V97 K98 D99P91-A95 WeakPolarHBondContact O-CB 3.39Å; P91-A95 PolarHBondContact O-N 3.3Å; V92-A95 PolarHBondContact O-N 3.49Å; E93-A95 VanDerWaalsContact C-N 3.34Å; E93-A95 PolarHBondContact O-N 3.32Å; A95-V97 VanDerWaalsContact C-N 3.32Å; A95-V97 PolarHBondContact O-N 3.47Å; A95-K98 PolarHBondContact O-N 3.01Å; A95-D99 PolarHBondContact O-N 3.49Å
96E56Low55Low110 Ų110122.1 Ų122.151%0.51463%0.628SS.*Hα-helixtrans-64.6-34.1176-81.6-168.8145.200112.9V92 E93 R100V92-E96 PolarHBondContact O-N 3.02Å; E93-E96 PolarHBondContact O-N 3.19Å; E96-R100 WeakPolarHBondContact O-CG 3.26Å; E96-R100 PolarHBondContact O-N 3.07Å
97V56.3Low54.8Low80 Ų80119.2 Ų119.249%0.48563%0.626SS.*Hα-helixtrans-71.5-34.2175.2173.40000111.2E93 A95 R100 Q101E93-V97 WeakPolarHBondContact O-CB 3.22Å; E93-V97 WeakPolarHBondContact O-CG2 3.42Å; E93-V97 PolarHBondContact O-N 3.41Å; A95-V97 VanDerWaalsContact C-N 3.32Å; A95-V97 PolarHBondContact O-N 3.47Å; V97-R100 PolarHBondContact O-N 3.34Å; V97-Q101 WeakPolarHBondContact O-CB 3.48Å; V97-Q101 PolarHBondContact O-N 3.2Å
98K55.4Low54.7Low140 Ų140114.4 Ų114.461%0.60962%0.618SS**Hα-helixtrans-71.1-39.5177.4-164.2177.8178.8-171.20112.3A94 A95 R100 Q101 E102A94-K98 WeakPolarHBondContact O-CB 3.15Å; A94-K98 PolarHBondContact O-N 2.96Å; A95-K98 PolarHBondContact O-N 3.01Å; K98-R100 PolarHBondContact O-N 3.46Å; K98-Q101 PolarHBondContact O-N 3.49Å; K98-Q101 VanDerWaalsContact O-N 3.13Å; K98-E102 PolarHBondContact O-N 3.13Å
99D56Low54.6Low135 Ų135118 Ų11872%0.72264%0.635SS**Hα-helixtrans-68.1-21.5176.5-80.3-12000113.2A95A95-D99 PolarHBondContact O-N 3.49Å
100R56.3Low54.6Low212 Ų212120.6 Ų120.680%0.865%0.649SS**THydrogen-bonded Turntrans-90.5-7.1173.4-67.3-174.5-171.8-164.36.2114.1E96 V97 K98E96-R100 WeakPolarHBondContact O-CG 3.26Å; E96-R100 PolarHBondContact O-N 3.07Å; V97-R100 PolarHBondContact O-N 3.34Å; K98-R100 PolarHBondContact O-N 3.46Å
101Q56.6Low54.7Low151 Ų151121.7 Ų121.771%0.70666%0.657SS**THydrogen-bonded Turntrans-110.3-2.2-175.9-92-180-12.500114.9V97 K98V97-Q101 WeakPolarHBondContact O-CB 3.48Å; V97-Q101 PolarHBondContact O-N 3.2Å; K98-Q101 PolarHBondContact O-N 3.49Å; K98-Q101 VanDerWaalsContact O-N 3.13Å
102E53.1Low54.9Low149 Ų149125.1 Ų125.170%0.69667%0.669SS**SBendtrans-75137.6167.6-75-169168.100111.1K98K98-E102 PolarHBondContact O-N 3.13Å
103P48.2Very low55Low112 Ų112128.8 Ų128.873%0.72769%0.685SS**  trans-87.8145.4-142.39.66.3000112.3S105P103-S105 VanDerWaalsContact C-N 3.34Å; P103-S105 PolarHBondContact O-N 2.9Å
104I56.5Low55.2Low178 Ų178129.9 Ų129.991%0.91370%0.697SS**  trans-51.9102.7155-58.5164.2000106.6
105S57.1Low55.2Low178 Ų178136.1 Ų136.1100%1.24571%0.713SS**  trans-68.8016760.80000111P103P103-S105 VanDerWaalsContact C-N 3.34Å; P103-S105 PolarHBondContact O-N 2.9Å

Retrieved 105 of 105 residues in 83.4 ms (Link to these results)