X5D2X6_HUMAN Loading...

Kinesin family member 1A isoform D

AlphaFold DB , UniProt , Accession X5D2X6, Species HUMAN (Homo sapiens, Human), Gene KIF1A, Length 66 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
1M50.7Low81.8Confident243 Ų243107.5 Ų107.5100%1.19765%0.653SS**  0123.20-73.6-149.9-93.400108.1G3M1-G3 PolarHBondContact O-N 3.11Å
2A52.7Low83Confident106 Ų106100.2 Ų100.288%0.87661%0.609SS**  trans-59.4132.4179.700000109.9A4A2-A4 PolarHBondContact O-N 3.17Å; A2-A4 VanDerWaalsContact O-N 3.16Å
3G61.9Low84Confident70 Ų70102.2 Ų102.272%0.72260%0.599SS**  trans-67.2111.8-175.400000111.1M1M1-G3 PolarHBondContact O-N 3.11Å
4A72.6Confident84.8Confident64 Ų64100 Ų10053%0.52959%0.589SS.*  trans-59144.5165.300000109.7A2 V6A2-A4 PolarHBondContact O-N 3.17Å; A2-A4 VanDerWaalsContact O-N 3.16Å; A4-V6 PolarHBondContact O-N 2.74Å
5S91.2Very high85.6Confident132 Ų13297.7 Ų97.792%0.92357%0.569SS**SBendtrans-65.1-20.5-179.755.90000113.3
6V92.6Very high86.1Confident101 Ų10195.8 Ų95.861%0.61256%0.556SS**  trans-125.7134.3175.7179.70000108.2A4 V8A4-V6 PolarHBondContact O-N 2.74Å; V6-V8 HydrophobicContact CG1-CG2 4.46Å
7K93.4Very high86.8Confident121 Ų12195.8 Ų95.853%0.52656%0.562SS.*  trans-118.1140.7169.7-65.8-168.3179.7-179.20110D53 Y54K7-D53 VanDerWaalsContact CA-OD2 3.26Å; K7-D53 WeakPolarHBondContact CA-OD2 3.35Å; K7-D53 HydrophobicContact CB-CB 4.27Å; K7-Y54 HydrophobicContact CD-CE2 3.84Å; K7-Y54 PolarHBondContact NZ-OH 3.33Å; K7-Y54 VanDerWaalsContact NZ-OH 3.09Å
8V95.8Very high87.4Confident69 Ų6999.7 Ų99.742%0.41857%0.566SS.*  trans-116.2129.7-179.9-174.90000109.5V6 F52 D53 Y54V6-V8 HydrophobicContact CG1-CG2 4.46Å; V8-F52 HydrophobicContact CB-CD1 4.26Å; V8-F52 HydrophobicContact CG1-CD1 3.62Å; V8-F52 HydrophobicContact CG1-CE1 4.12Å; V8-D53 PolarHBondContact N-OD2 2.95Å; V8-D53 WeakPolarHBondContact O-CB 3.38Å; V8-D53 PolarHBondContact O-N 3.34Å; V8-Y54 PolarHBondContact O-N 2.92Å
9A95.9Very high87.9Confident57 Ų5796.8 Ų96.847%0.47155%0.547SS..EExtended strand (participates in β ladder)trans-124.2144175.700000110.7Y54 Y56A9-Y54 CarbonylContact C-O 3.57Å; A9-Y54 VanDerWaalsContact CA-O 3.29Å; A9-Y54 WeakPolarHBondContact CA-O 3.45Å; A9-Y54 HydrophobicContact CB-CD2 4.27Å; A9-Y56 HydrophobicContact CB-CD2 4.47Å; A9-Y56 HydrophobicContact CB-CE2 4.05Å
10V97.3Very high88.2Confident36 Ų3697.5 Ų97.522%0.21855%0.547CS..EExtended strand (participates in β ladder)trans-121.2147.1170.8-630000110.1M30 T35 F52 Y54 S55 Y56V10-M30 HydrophobicContact CG2-CE 4.02Å; V10-T35 WeakPolarHBondContact CG2-OG1 3.31Å; V10-F52 HydrophobicContact CB-CD2 4.23Å; V10-F52 HydrophobicContact CB-CE2 4.29Å; V10-F52 HydrophobicContact CG1-CD1 3.97Å; V10-F52 HydrophobicContact CG1-CD2 3.73Å; V10-F52 HydrophobicContact CG1-CE1 3.82Å; V10-F52 HydrophobicContact CG1-CE2 3.58Å; V10-F52 HydrophobicContact CG1-CG 3.92Å; V10-F52 HydrophobicContact CG1-CZ 3.62Å; V10-F52 HydrophobicContact CG2-CD2 3.42Å; V10-F52 VanDerWaalsContact CG2-CD2 3.42Å; V10-F52 HydrophobicContact CG2-CE2 3.75Å; V10-F52 HydrophobicContact CG2-CG 4.07Å; V10-Y54 PolarHBondContact N-O 3.21Å; V10-S55 WeakPolarHBondContact CG2-OG 3.46Å; V10-Y56 PolarHBondContact O-N 3.16Å
11R96.1Very high88.6Confident183 Ų18397.1 Ų97.169%0.69155%0.551SS**EExtended strand (participates in β ladder)trans-136.3125.5177.9-175.9176.9-173.8-172.62110.6Y56 S58R11-Y56 VanDerWaalsContact CA-O 3.31Å; R11-Y56 WeakPolarHBondContact CA-O 3.26Å; R11-S58 PolarHBondContact NE-OG 3.47Å; R11-S58 PolarHBondContact NH2-OG 3.2Å; R11-S58 VanDerWaalsContact NH2-OG 3.15Å
12V96.2Very high90.8Very high20 Ų2093.2 Ų93.212%0.12152%0.523CS..EExtended strand (participates in β ladder)trans-87.2127.3169.4152.70000109.4I28 M30 Y56 W57 S58 H59V12-I28 HydrophobicContact CG2-CB 3.84Å; V12-I28 HydrophobicContact CG2-CG1 4.12Å; V12-I28 HydrophobicContact CG2-CG2 3.46Å; V12-I28 VanDerWaalsContact CG2-CG2 3.46Å; V12-M30 HydrophobicContact CB-CE 3.92Å; V12-M30 HydrophobicContact CB-SD 4.49Å; V12-M30 HydrophobicContact CG2-CE 3.58Å; V12-Y56 PolarHBondContact N-O 3.22Å; V12-W57 HydrophobicContact CB-CE3 4.06Å; V12-W57 HydrophobicContact CB-CZ3 4.3Å; V12-W57 HydrophobicContact CG1-CD2 4.47Å; V12-W57 HydrophobicContact CG1-CE3 3.85Å; V12-W57 HydrophobicContact CG1-CH2 4.4Å; V12-W57 HydrophobicContact CG1-CZ3 3.8Å; V12-W57 HydrophobicContact CG2-CZ3 4.44Å; V12-S58 CarbonylContact O-C 3.59Å; V12-S58 VanDerWaalsContact O-C 3.29Å; V12-S58 VanDerWaalsContact O-CA 3.29Å; V12-S58 WeakPolarHBondContact O-CA 3.47Å; V12-S58 VanDerWaalsContact O-CB 3.26Å; V12-S58 WeakPolarHBondContact O-CB 3.4Å; V12-S58 PolarHBondContact O-N 3.07Å; V12-H59 HydrophobicContact CG1-CB 3.5Å
13R95.3Very high92.8Very high127 Ų12795.1 Ų95.148%0.47952%0.518SS..PPolyproline II helixtrans-90.6162.4174.163.5164179.778.32112E19 H59R13-E19 IonicContact CZ-OE1 3.62Å; R13-E19 IonicContact CZ-OE2 3.56Å; R13-E19 IonicContact NH1-OE1 3.57Å; R13-E19 IonicContact NH1-OE2 2.75Å; R13-E19 PolarHBondContact NH1-OE2 3.04Å; R13-E19 IonicContact NH2-OE1 2.75Å; R13-E19 PolarHBondContact NH2-OE1 2.9Å; R13-E19 IonicContact NH2-OE2 3.43Å; R13-E19 PolarHBondContact NH2-OE2 3.12Å; R13-H59 PolarHBondContact O-ND1 3.41Å
14P95.9Very high94.4Very high71 Ų7194.1 Ų94.146%0.46150%0.5SS..PPolyproline II helixtrans-62165.2166.5-18.531.7000112S58P14-S58 WeakPolarHBondContact CD-O 3.33Å; P14-S58 WeakPolarHBondContact CG-O 3.24Å
15F96Very high95.4Very high66 Ų6699.8 Ų99.829%0.28951%0.513SS..PPolyproline II helixtrans-64.1143.4170.6-72.5-50.1000112.4E19 M20 S24 C26 H59F15-E19 VanDerWaalsContact CA-OE2 3.26Å; F15-E19 WeakPolarHBondContact CA-OE2 3.32Å; F15-E19 HydrophobicContact CB-CB 3.92Å; F15-E19 HydrophobicContact CD1-CB 3.54Å; F15-E19 HydrophobicContact CD1-CG 4.07Å; F15-E19 WeakPolarHBondContact CD1-OE2 3.47Å; F15-E19 HydrophobicContact CE1-CB 4.31Å; F15-E19 HydrophobicContact CG-CB 3.98Å; F15-M20 HydrophobicContact CB-CG 3.8Å; F15-S24 WeakPolarHBondContact CE2-O 3.35Å; F15-S24 VanDerWaalsContact CZ-O 3.32Å; F15-S24 WeakPolarHBondContact CZ-O 3.49Å; F15-C26 HydrophobicContact CE2-CB 4.19Å; F15-C26 HydrophobicContact CZ-CB 3.75Å; F15-H59 AromaticContact CD1-CE1 3.9Å; F15-H59 AromaticContact CD2-CE1 3.73Å; F15-H59 AromaticContact CD2-NE2 3.79Å; F15-H59 AromaticContact CE1-CE1 3.83Å; F15-H59 AromaticContact CE2-CE1 3.66Å; F15-H59 AromaticContact CE2-NE2 3.43Å; F15-H59 WeakPolarHBondContact CE2-NE2 3.45Å; F15-H59 AromaticContact CG-CE1 3.86Å; F15-H59 AromaticContact CZ-CE1 3.71Å; F15-H59 AromaticContact CZ-NE2 3.73Å
16N95Very high95.6Very high67 Ų6796.2 Ų96.236%0.35849%0.487SS..PPolyproline II helixtrans-87.4172.4169.469.828.6000110.9R18 E19 M20N16-R18 PolarHBondContact O-N 2.75Å; N16-R18 PolarHBondContact OD1-N 3.38Å; N16-R18 VanDerWaalsContact OD1-N 3.11Å; N16-E19 VanDerWaalsContact CG-OE2 3.3Å; N16-E19 PolarHBondContact N-OE2 3.13Å; N16-E19 PolarHBondContact O-N 3.15Å; N16-E19 VanDerWaalsContact O-N 3.12Å; N16-E19 WeakPolarHBondContact OD1-CG 3.48Å; N16-E19 PolarHBondContact OD1-N 3.43Å; N16-E19 PolarHBondContact OD1-OE2 2.95Å; N16-M20 WeakPolarHBondContact O-CG 3.34Å; N16-M20 PolarHBondContact O-N 2.98Å
17S96.6Very high95.8Very high95 Ų9594 Ų9466%0.66447%0.471SS*.Hα-helixtrans-55.2-37.3-177.1-500000113.6S21S17-S21 VanDerWaalsContact O-CB 3.31Å; S17-S21 WeakPolarHBondContact O-CB 3.11Å; S17-S21 PolarHBondContact O-N 3.14Å; S17-S21 PolarHBondContact O-OG 3.26Å
18R97.8Very high96Very high166 Ų16690 Ų9063%0.62646%0.455SS*.Hα-helixtrans-69.9-43179.5-178.5176.3-177.4-106.46.5111.6N16 M20 S21 R22N16-R18 PolarHBondContact O-N 2.75Å; N16-R18 PolarHBondContact OD1-N 3.38Å; N16-R18 VanDerWaalsContact OD1-N 3.11Å; R18-M20 VanDerWaalsContact C-N 3.33Å; R18-S21 WeakPolarHBondContact CA-OG 3.46Å; R18-S21 PolarHBondContact O-N 3.2Å; R18-S21 PolarHBondContact O-OG 2.89Å; R18-R22 WeakPolarHBondContact O-CG 3.2Å; R18-R22 PolarHBondContact O-N 2.76Å
19E97Very high95.9Very high45 Ų4592.7 Ų92.721%0.2146%0.463CS..Hα-helixtrans-63.3-43179.3-71.6155.6174.100110.7R13 F15 N16 R22 D23 S24R13-E19 IonicContact CZ-OE1 3.62Å; R13-E19 IonicContact CZ-OE2 3.56Å; R13-E19 IonicContact NH1-OE1 3.57Å; R13-E19 IonicContact NH1-OE2 2.75Å; R13-E19 PolarHBondContact NH1-OE2 3.04Å; R13-E19 IonicContact NH2-OE1 2.75Å; R13-E19 PolarHBondContact NH2-OE1 2.9Å; R13-E19 IonicContact NH2-OE2 3.43Å; R13-E19 PolarHBondContact NH2-OE2 3.12Å; F15-E19 VanDerWaalsContact CA-OE2 3.26Å; F15-E19 WeakPolarHBondContact CA-OE2 3.32Å; F15-E19 HydrophobicContact CB-CB 3.92Å; F15-E19 HydrophobicContact CD1-CB 3.54Å; F15-E19 HydrophobicContact CD1-CG 4.07Å; F15-E19 WeakPolarHBondContact CD1-OE2 3.47Å; F15-E19 HydrophobicContact CE1-CB 4.31Å; F15-E19 HydrophobicContact CG-CB 3.98Å; N16-E19 VanDerWaalsContact CG-OE2 3.3Å; N16-E19 PolarHBondContact N-OE2 3.13Å; N16-E19 PolarHBondContact O-N 3.15Å; N16-E19 VanDerWaalsContact O-N 3.12Å; N16-E19 WeakPolarHBondContact OD1-CG 3.48Å; N16-E19 PolarHBondContact OD1-N 3.43Å; N16-E19 PolarHBondContact OD1-OE2 2.95Å; E19-R22 PolarHBondContact O-N 2.92Å; E19-D23 PolarHBondContact O-N 2.75Å; E19-S24 WeakPolarHBondContact CA-OG 3.38Å; E19-S24 VanDerWaalsContact O-CB 3.24Å; E19-S24 WeakPolarHBondContact O-CB 3.29Å; E19-S24 PolarHBondContact O-N 2.96Å; E19-S24 PolarHBondContact O-OG 3.03Å
20M94.7Very high95.8Very high111 Ų11191.8 Ų91.855%0.54745%0.449SS..Hα-helixtrans-62.9-47173.1-66.5-174.5-77.300112F15 N16 R18 R22 D23F15-M20 HydrophobicContact CB-CG 3.8Å; N16-M20 WeakPolarHBondContact O-CG 3.34Å; N16-M20 PolarHBondContact O-N 2.98Å; R18-M20 VanDerWaalsContact C-N 3.33Å; M20-R22 PolarHBondContact O-N 3.13Å; M20-D23 PolarHBondContact O-N 3.42Å; M20-D23 VanDerWaalsContact O-N 3.13Å
21S97.1Very high95.6Very high89 Ų8994.4 Ų94.462%0.62247%0.47SS*.Hα-helixtrans-63.4-16.4-179.470.60000114.9S17 R18S17-S21 VanDerWaalsContact O-CB 3.31Å; S17-S21 WeakPolarHBondContact O-CB 3.11Å; S17-S21 PolarHBondContact O-N 3.14Å; S17-S21 PolarHBondContact O-OG 3.26Å; R18-S21 WeakPolarHBondContact CA-OG 3.46Å; R18-S21 PolarHBondContact O-N 3.2Å; R18-S21 PolarHBondContact O-OG 2.89Å
22R96.8Very high95.4Very high162 Ų16289 Ų8961%0.61147%0.471SS*.THydrogen-bonded Turntrans-111.212-178.1-67-168.970.1-165.31.4112.5R18 E19 M20 S24R18-R22 WeakPolarHBondContact O-CG 3.2Å; R18-R22 PolarHBondContact O-N 2.76Å; E19-R22 PolarHBondContact O-N 2.92Å; M20-R22 PolarHBondContact O-N 3.13Å; R22-S24 PolarHBondContact O-N 3.14Å; R22-S24 VanDerWaalsContact O-N 3.14Å
23D94.3Very high95.2Very high145 Ų14590.9 Ų90.978%0.77549%0.485SS*.THydrogen-bonded Turntrans49.742-177.1-58.8-63.6000112E19 M20 K25E19-D23 PolarHBondContact O-N 2.75Å; M20-D23 PolarHBondContact O-N 3.42Å; M20-D23 VanDerWaalsContact O-N 3.13Å; D23-K25 PolarHBondContact O-N 3.39Å
24S95.6Very high95.2Very high49 Ų4986.6 Ų86.634%0.34347%0.473SS..PPolyproline II helixtrans-65.1133.7-177-58.40000109.8F15 E19 R22F15-S24 WeakPolarHBondContact CE2-O 3.35Å; F15-S24 VanDerWaalsContact CZ-O 3.32Å; F15-S24 WeakPolarHBondContact CZ-O 3.49Å; E19-S24 WeakPolarHBondContact CA-OG 3.38Å; E19-S24 VanDerWaalsContact O-CB 3.24Å; E19-S24 WeakPolarHBondContact O-CB 3.29Å; E19-S24 PolarHBondContact O-N 2.96Å; E19-S24 PolarHBondContact O-OG 3.03Å; R22-S24 PolarHBondContact O-N 3.14Å; R22-S24 VanDerWaalsContact O-N 3.14Å
25K93.7Very high95.2Very high184 Ų18483.9 Ų83.980%0.846%0.455SS*.PPolyproline II helixtrans-85.8141.3178.8-64.7-172178.1-176.80111.1D23 I27D23-K25 PolarHBondContact O-N 3.39Å; K25-I27 PolarHBondContact O-N 2.83Å
26C94.6Very high95.3Very high56 Ų5681.9 Ų81.938%0.37845%0.448SS..PPolyproline II helixtrans-76.1122.2173.7-170.20000108.2F15 H59F15-C26 HydrophobicContact CE2-CB 4.19Å; F15-C26 HydrophobicContact CZ-CB 3.75Å; C26-H59 WeakPolarHBondContact CB-NE2 3.31Å; C26-H59 PolarHBondContact SG-NE2 2.92Å; C26-H59 VanDerWaalsContact SG-NE2 3.37Å
27I96.6Very high95.4Very high54 Ų5481.6 Ų81.628%0.27745%0.446SS..  trans-107.93.7-17961.7169.5000112.4K25 I37 V38 P40K25-I27 PolarHBondContact O-N 2.83Å; I27-I37 HydrophobicContact CD1-CD1 4.16Å; I27-I37 HydrophobicContact CD1-CG1 4.07Å; I27-I37 HydrophobicContact CG1-CG1 4.35Å; I27-I37 CarbonylContact O-C 3.59Å; I27-I37 WeakPolarHBondContact O-CA 3.39Å; I27-V38 HydrophobicContact CB-CB 4.31Å; I27-V38 WeakPolarHBondContact CB-O 3.41Å; I27-V38 PolarHBondContact O-N 3.15Å; I27-P40 HydrophobicContact CG2-CB 4.4Å
28I96.8Very high95.4Very high38 Ų3878.8 Ų78.820%0.19543%0.425CS..EExtended strand (participates in β ladder)trans-105.8137.3178.1-52.2-64000109.4V12 M30 T35 T36 I37 W57V12-I28 HydrophobicContact CG2-CB 3.84Å; V12-I28 HydrophobicContact CG2-CG1 4.12Å; V12-I28 HydrophobicContact CG2-CG2 3.46Å; V12-I28 VanDerWaalsContact CG2-CG2 3.46Å; I28-M30 HydrophobicContact CG2-CE 4.43Å; I28-T35 HydrophobicContact CG2-CG2 3.65Å; I28-T36 CarbonylContact C-O 3.52Å; I28-T36 WeakPolarHBondContact CA-O 3.43Å; I28-I37 HydrophobicContact CD1-CB 3.72Å; I28-I37 HydrophobicContact CD1-CD1 3.77Å; I28-I37 HydrophobicContact CD1-CG1 3.63Å; I28-W57 HydrophobicContact CG2-CZ3 4.47Å; I28-W57 WeakPolarHBondContact O-CH2 3.32Å; I28-W57 WeakPolarHBondContact O-CZ3 3.26Å
29Q94.3Very high95.3Very high126 Ų12673.8 Ų73.859%0.58941%0.411SS*.EExtended strand (participates in β ladder)trans-128.5151.1168.1-68.8-179.3-29.800108.6T35 T36Q29-T35 CarbonylContact O-C 3.6Å; Q29-T35 WeakPolarHBondContact O-CA 3.29Å; Q29-T36 PolarHBondContact N-O 2.92Å; Q29-T36 PolarHBondContact O-N 2.89Å
30M94.4Very high95.1Very high37 Ų3776.1 Ų76.118%0.18243%0.429CS..EExtended strand (participates in β ladder)trans-130.8139.4176.5-69.5179.3171.500109.7V10 V12 I28 T34 T35 W57V10-M30 HydrophobicContact CG2-CE 4.02Å; V12-M30 HydrophobicContact CB-CE 3.92Å; V12-M30 HydrophobicContact CB-SD 4.49Å; V12-M30 HydrophobicContact CG2-CE 3.58Å; I28-M30 HydrophobicContact CG2-CE 4.43Å; M30-T34 CarbonylContact C-O 3.29Å; M30-T34 VanDerWaalsContact CA-O 3.32Å; M30-T34 WeakPolarHBondContact CA-O 3.26Å; M30-T35 HydrophobicContact CE-CG2 3.88Å; M30-T35 WeakPolarHBondContact CE-OG1 3.39Å; M30-T35 HydrophobicContact CG-CG2 4.17Å; M30-W57 HydrophobicContact CB-CE3 4.31Å; M30-W57 HydrophobicContact CG-CE3 4.1Å; M30-W57 HydrophobicContact SD-CB 4.21Å; M30-W57 HydrophobicContact SD-CE3 4.07Å
31S91.9Very high95.2Very high92 Ų9279.8 Ų79.864%0.64344%0.442SS*.EExtended strand (participates in β ladder)trans-141.1112.6173.4-175.50000108.9S33 T34S31-S33 PolarHBondContact O-N 3.42Å; S31-T34 PolarHBondContact N-O 2.88Å; S31-T34 WeakPolarHBondContact O-CB 3.33Å; S31-T34 PolarHBondContact O-N 2.92Å
32G92Very high95Very high70 Ų7079.7 Ų79.772%0.72243%0.432SS*.THydrogen-bonded Turntrans55.7-124.2-172.500000111.9T34G32-T34 VanDerWaalsContact C-N 3.3Å
33S93Very high94.7Very high58 Ų5876.6 Ų76.641%0.40643%0.433SS..THydrogen-bonded Turntrans-82.2-3.7176.149.20000114.3S31 F52 S55S31-S33 PolarHBondContact O-N 3.42Å; S33-F52 VanDerWaalsContact CB-O 3.26Å; S33-F52 WeakPolarHBondContact CB-O 3.44Å; S33-F52 PolarHBondContact O-N 2.85Å; S33-S55 PolarHBondContact O-OG 2.84Å
34T94.9Very high94.6Very high38 Ų3879.9 Ų79.923%0.23344%0.44CS..EExtended strand (participates in β ladder)trans-99.7132.1-174.3-58.50000111.4M30 S31 G32 F50 S51M30-T34 CarbonylContact C-O 3.29Å; M30-T34 VanDerWaalsContact CA-O 3.32Å; M30-T34 WeakPolarHBondContact CA-O 3.26Å; S31-T34 PolarHBondContact N-O 2.88Å; S31-T34 WeakPolarHBondContact O-CB 3.33Å; S31-T34 PolarHBondContact O-N 2.92Å; G32-T34 VanDerWaalsContact C-N 3.3Å; T34-F50 CarbonylContact C-O 3.58Å; T34-F50 WeakPolarHBondContact CA-O 3.29Å; T34-S51 PolarHBondContact OG1-OG 2.97Å
35T96.4Very high94.6Very high14 Ų1482.1 Ų82.19%0.08645%0.445CS..EExtended strand (participates in β ladder)trans-112.5130.9173-62.70000109.5V10 I28 Q29 M30 F50 S55V10-T35 WeakPolarHBondContact CG2-OG1 3.31Å; I28-T35 HydrophobicContact CG2-CG2 3.65Å; Q29-T35 CarbonylContact O-C 3.6Å; Q29-T35 WeakPolarHBondContact O-CA 3.29Å; M30-T35 HydrophobicContact CE-CG2 3.88Å; M30-T35 WeakPolarHBondContact CE-OG1 3.39Å; M30-T35 HydrophobicContact CG-CG2 4.17Å; T35-F50 PolarHBondContact N-O 2.94Å; T35-F50 PolarHBondContact O-N 2.81Å; T35-S55 PolarHBondContact OG1-OG 3.41Å
36T97.3Very high94.6Very high23 Ų2379.5 Ų79.514%0.14145%0.445CS..EExtended strand (participates in β ladder)trans-118.6134.9-176.7-52.30000110.1I28 Q29 P47 K48I28-T36 CarbonylContact C-O 3.52Å; I28-T36 WeakPolarHBondContact CA-O 3.43Å; Q29-T36 PolarHBondContact N-O 2.92Å; Q29-T36 PolarHBondContact O-N 2.89Å; T36-P47 HydrophobicContact CG2-CB 3.25Å; T36-P47 HydrophobicContact CG2-CG 4.35Å; T36-K48 CarbonylContact C-O 3.22Å; T36-K48 VanDerWaalsContact CA-O 3.29Å; T36-K48 WeakPolarHBondContact CA-O 3.48Å
37I97Very high94.7Very high62 Ų6279.2 Ų79.232%0.31844%0.442SS..EExtended strand (participates in β ladder)trans-121130.4178.2-174.8170.1000111.7I27 I28 K48 F50I27-I37 HydrophobicContact CD1-CD1 4.16Å; I27-I37 HydrophobicContact CD1-CG1 4.07Å; I27-I37 HydrophobicContact CG1-CG1 4.35Å; I27-I37 CarbonylContact O-C 3.59Å; I27-I37 WeakPolarHBondContact O-CA 3.39Å; I28-I37 HydrophobicContact CD1-CB 3.72Å; I28-I37 HydrophobicContact CD1-CD1 3.77Å; I28-I37 HydrophobicContact CD1-CG1 3.63Å; I37-K48 HydrophobicContact CG2-CB 3.86Å; I37-K48 PolarHBondContact N-O 2.77Å; I37-K48 PolarHBondContact O-N 2.81Å; I37-F50 HydrophobicContact CG2-CD2 4.5Å; I37-F50 HydrophobicContact CG2-CE2 3.86Å
38V97.3Very high94.7Very high36 Ų3683.4 Ų83.422%0.21846%0.459CS..  trans-95.8136.8176.4-175.80000110.1I27 P40 P47I27-V38 HydrophobicContact CB-CB 4.31Å; I27-V38 WeakPolarHBondContact CB-O 3.41Å; I27-V38 PolarHBondContact O-N 3.15Å; V38-P40 WeakPolarHBondContact O-CD 3.26Å; V38-P47 HydrophobicContact CG2-CB 4.06Å; V38-P47 HydrophobicContact CG2-CG 3.94Å
39N96.1Very high94.7Very high61 Ų6185.3 Ų85.333%0.32648%0.475SS..  trans-81.3114.2169.7-176.8-6.1000109.8K41 Q42N39-K41 PolarHBondContact O-N 2.98Å; N39-K41 VanDerWaalsContact O-N 3.15Å; N39-K41 WeakPolarHBondContact OD1-CB 3.38Å; N39-K41 PolarHBondContact OD1-N 2.94Å; N39-Q42 HydrophobicContact CB-CB 4.34Å; N39-Q42 PolarHBondContact ND2-OE1 3.28Å; N39-Q42 CarbonylContact O-C 3.52Å; N39-Q42 PolarHBondContact O-N 3.37Å
40P93.5Very high94.9Very high93 Ų9384.3 Ų84.360%0.60447%0.469SS*.THydrogen-bonded Turntrans-64.9-20.7-179.127.2-35000113.2I27 V38I27-P40 HydrophobicContact CG2-CB 4.4Å; V38-P40 WeakPolarHBondContact O-CD 3.26Å
41K94.8Very high94.9Very high188 Ų18886.8 Ų86.882%0.81749%0.49SS*.THydrogen-bonded Turntrans-81.4-20.5175.7-62.1-174.9178.9-178.60113N39N39-K41 PolarHBondContact O-N 2.98Å; N39-K41 VanDerWaalsContact O-N 3.15Å; N39-K41 WeakPolarHBondContact OD1-CB 3.38Å; N39-K41 PolarHBondContact OD1-N 2.94Å
42Q94.8Very high95Very high88 Ų8885.3 Ų85.341%0.41147%0.472SS..  trans-136.666.1-176.2-68.8171.8-52.300109.9N39 K44 E45N39-Q42 HydrophobicContact CB-CB 4.34Å; N39-Q42 PolarHBondContact ND2-OE1 3.28Å; N39-Q42 CarbonylContact O-C 3.52Å; N39-Q42 PolarHBondContact O-N 3.37Å; Q42-K44 PolarHBondContact O-N 3.24Å; Q42-K44 VanDerWaalsContact O-N 3.14Å; Q42-E45 HydrophobicContact CB-CB 4.39Å; Q42-E45 HydrophobicContact CB-CG 3.93Å; Q42-E45 VanDerWaalsContact CD-CD 3.48Å; Q42-E45 PolarHBondContact NE2-OE1 3.06Å; Q42-E45 PolarHBondContact O-N 2.75Å; Q42-E45 VanDerWaalsContact O-N 3.13Å; Q42-E45 PolarHBondContact OE1-OE1 3.06Å; Q42-E45 PolarHBondContact OE1-OE2 2.77Å
43P89.8Confident95.2Very high97 Ų9785.7 Ų85.763%0.6346%0.458SS*.THydrogen-bonded Turntrans-69.8-12.8-171.929.2-37000114.2
44K92.3Very high95.2Very high213 Ų21387.5 Ų87.593%0.92646%0.457SS*.THydrogen-bonded Turntrans-87.4-13.4177.3-60.6-177.5-178.1-179.70112.8Q42Q42-K44 PolarHBondContact O-N 3.24Å; Q42-K44 VanDerWaalsContact O-N 3.14Å
45E94.8Very high95.2Very high96 Ų9686.7 Ų86.745%0.44945%0.452SS..SBendtrans-73.5148.7175.6-72.7-178.1-177.800110.4Q42 P47Q42-E45 HydrophobicContact CB-CB 4.39Å; Q42-E45 HydrophobicContact CB-CG 3.93Å; Q42-E45 VanDerWaalsContact CD-CD 3.48Å; Q42-E45 PolarHBondContact NE2-OE1 3.06Å; Q42-E45 PolarHBondContact O-N 2.75Å; Q42-E45 VanDerWaalsContact O-N 3.13Å; Q42-E45 PolarHBondContact OE1-OE1 3.06Å; Q42-E45 PolarHBondContact OE1-OE2 2.77Å; E45-P47 WeakPolarHBondContact O-CD 3.33Å
46T94.8Very high95.1Very high129 Ų12991.6 Ų91.679%0.79147%0.47SS*.PPolyproline II helixtrans-57.7124.9173.3-54.10000109.3
47P96.1Very high94.9Very high50 Ų5093.8 Ų93.833%0.32548%0.476SS..PPolyproline II helixtrans-57.5146.2176.7-27.137.2000111.8T36 V38 E45T36-P47 HydrophobicContact CG2-CB 3.25Å; T36-P47 HydrophobicContact CG2-CG 4.35Å; V38-P47 HydrophobicContact CG2-CB 4.06Å; V38-P47 HydrophobicContact CG2-CG 3.94Å; E45-P47 WeakPolarHBondContact O-CD 3.33Å
48K97.2Very high94.7Very high142 Ų14292.3 Ų92.362%0.61747%0.471SS*.EExtended strand (participates in β ladder)trans-83.4126.7-179.9-63.6-178.8-178.9179.80109.8T36 I37 F50T36-K48 CarbonylContact C-O 3.22Å; T36-K48 VanDerWaalsContact CA-O 3.29Å; T36-K48 WeakPolarHBondContact CA-O 3.48Å; I37-K48 HydrophobicContact CG2-CB 3.86Å; I37-K48 PolarHBondContact N-O 2.77Å; I37-K48 PolarHBondContact O-N 2.81Å; K48-F50 HydrophobicContact CB-CE2 3.89Å; K48-F50 HydrophobicContact CB-CZ 4.34Å
49S97.1Very high94.3Very high78 Ų7892 Ų9255%0.54547%0.467SS..EExtended strand (participates in β ladder)trans-107139.6-178-60.10000111.9
50F96.9Very high93.7Very high106 Ų10692.3 Ų92.347%0.46547%0.471SS..EExtended strand (participates in β ladder)trans-134.5135179.1-60.2-88.4000109.7T34 T35 I37 K48 F52T34-F50 CarbonylContact C-O 3.58Å; T34-F50 WeakPolarHBondContact CA-O 3.29Å; T35-F50 PolarHBondContact N-O 2.94Å; T35-F50 PolarHBondContact O-N 2.81Å; I37-F50 HydrophobicContact CG2-CD2 4.5Å; I37-F50 HydrophobicContact CG2-CE2 3.86Å; K48-F50 HydrophobicContact CB-CE2 3.89Å; K48-F50 HydrophobicContact CB-CZ 4.34Å; F50-F52 HydrophobicContact CB-CE2 3.59Å; F50-F52 HydrophobicContact CB-CZ 3.78Å
51S95.3Very high92.1Very high89 Ų8992.3 Ų92.362%0.62247%0.473SS*.EExtended strand (participates in β ladder)trans-110.3135.8178-56.30000110.7T34T34-S51 PolarHBondContact OG1-OG 2.97Å
52F95Very high90.2Very high61 Ų6189.3 Ų89.327%0.26847%0.473SS..  trans-128.9171.8-178.4-59.6-77000110.5V8 V10 S33 F50 Y54V8-F52 HydrophobicContact CB-CD1 4.26Å; V8-F52 HydrophobicContact CG1-CD1 3.62Å; V8-F52 HydrophobicContact CG1-CE1 4.12Å; V10-F52 HydrophobicContact CB-CD2 4.23Å; V10-F52 HydrophobicContact CB-CE2 4.29Å; V10-F52 HydrophobicContact CG1-CD1 3.97Å; V10-F52 HydrophobicContact CG1-CD2 3.73Å; V10-F52 HydrophobicContact CG1-CE1 3.82Å; V10-F52 HydrophobicContact CG1-CE2 3.58Å; V10-F52 HydrophobicContact CG1-CG 3.92Å; V10-F52 HydrophobicContact CG1-CZ 3.62Å; V10-F52 HydrophobicContact CG2-CD2 3.42Å; V10-F52 VanDerWaalsContact CG2-CD2 3.42Å; V10-F52 HydrophobicContact CG2-CE2 3.75Å; V10-F52 HydrophobicContact CG2-CG 4.07Å; S33-F52 VanDerWaalsContact CB-O 3.26Å; S33-F52 WeakPolarHBondContact CB-O 3.44Å; S33-F52 PolarHBondContact O-N 2.85Å; F50-F52 HydrophobicContact CB-CE2 3.59Å; F50-F52 HydrophobicContact CB-CZ 3.78Å; F52-Y54 VanDerWaalsContact C-N 3.25Å; F52-Y54 PolarHBondContact O-N 2.9Å
53D95.1Very high88.2Confident78 Ų7894.2 Ų94.242%0.41750%0.496SS..SBendtrans-64.7-36.6170.8-60.4-83000110.9K7 V8K7-D53 VanDerWaalsContact CA-OD2 3.26Å; K7-D53 WeakPolarHBondContact CA-OD2 3.35Å; K7-D53 HydrophobicContact CB-CB 4.27Å; V8-D53 PolarHBondContact N-OD2 2.95Å; V8-D53 WeakPolarHBondContact O-CB 3.38Å; V8-D53 PolarHBondContact O-N 3.34Å
54Y93.4Very high86.1Confident96 Ų9692.1 Ų92.138%0.37649%0.492SS..EExtended strand (participates in β ladder)trans-140.8133.7177.7-52-78.8000111.9K7 V8 A9 V10 F52 Y56K7-Y54 HydrophobicContact CD-CE2 3.84Å; K7-Y54 PolarHBondContact NZ-OH 3.33Å; K7-Y54 VanDerWaalsContact NZ-OH 3.09Å; V8-Y54 PolarHBondContact O-N 2.92Å; A9-Y54 CarbonylContact C-O 3.57Å; A9-Y54 VanDerWaalsContact CA-O 3.29Å; A9-Y54 WeakPolarHBondContact CA-O 3.45Å; A9-Y54 HydrophobicContact CB-CD2 4.27Å; V10-Y54 PolarHBondContact N-O 3.21Å; F52-Y54 VanDerWaalsContact C-N 3.25Å; F52-Y54 PolarHBondContact O-N 2.9Å; Y54-Y56 HydrophobicContact CG-CE2 4.35Å
55S94.9Very high83.7Confident20 Ų2088.1 Ų88.114%0.1448%0.476CS..EExtended strand (participates in β ladder)trans-123.6107171.6-71.60000109.3V10 S33 T35V10-S55 WeakPolarHBondContact CG2-OG 3.46Å; S33-S55 PolarHBondContact O-OG 2.84Å; T35-S55 PolarHBondContact OG1-OG 3.41Å
56Y94Very high80.9Confident117 Ų11791.8 Ų91.846%0.45952%0.523SS..EExtended strand (participates in β ladder)trans-98.5114.7-176-62.8-67.1000111.6A9 V10 R11 V12 Y54A9-Y56 HydrophobicContact CB-CD2 4.47Å; A9-Y56 HydrophobicContact CB-CE2 4.05Å; V10-Y56 PolarHBondContact O-N 3.16Å; R11-Y56 VanDerWaalsContact CA-O 3.31Å; R11-Y56 WeakPolarHBondContact CA-O 3.26Å; V12-Y56 PolarHBondContact N-O 3.22Å; Y54-Y56 HydrophobicContact CG-CE2 4.35Å
57W92.6Very high80.2Confident70 Ų7090 Ų9027%0.26551%0.51SS..EExtended strand (participates in β ladder)trans-83.8114.7168.8-172.5-102.5000110.1V12 I28 M30 H59 T60 H65V12-W57 HydrophobicContact CB-CE3 4.06Å; V12-W57 HydrophobicContact CB-CZ3 4.3Å; V12-W57 HydrophobicContact CG1-CD2 4.47Å; V12-W57 HydrophobicContact CG1-CE3 3.85Å; V12-W57 HydrophobicContact CG1-CH2 4.4Å; V12-W57 HydrophobicContact CG1-CZ3 3.8Å; V12-W57 HydrophobicContact CG2-CZ3 4.44Å; I28-W57 HydrophobicContact CG2-CZ3 4.47Å; I28-W57 WeakPolarHBondContact O-CH2 3.32Å; I28-W57 WeakPolarHBondContact O-CZ3 3.26Å; M30-W57 HydrophobicContact CB-CE3 4.31Å; M30-W57 HydrophobicContact CG-CE3 4.1Å; M30-W57 HydrophobicContact SD-CB 4.21Å; M30-W57 HydrophobicContact SD-CE3 4.07Å; W57-H59 HydrophobicContact CD2-CB 3.87Å; W57-H59 HydrophobicContact CE3-CB 4.24Å; W57-H59 HydrophobicContact CH2-CB 3.67Å; W57-H59 AromaticContact CH2-CD2 3.95Å; W57-H59 AromaticContact CH2-CG 3.95Å; W57-H59 HydrophobicContact CZ2-CB 3.23Å; W57-H59 AromaticContact CZ2-CD2 3.77Å; W57-H59 AromaticContact CZ2-CG 3.8Å; W57-H59 HydrophobicContact CZ3-CB 4.15Å; W57-T60 PolarHBondContact NE1-OG1 3.09Å; W57-H65 AromaticContact CD1-CE1 3.88Å; W57-H65 AromaticContact CD1-NE2 3.1Å; W57-H65 AromaticContact CG-NE2 3.77Å; W57-H65 AromaticContact NE1-NE2 3.61Å
58S92.3Very high79.4Confident31 Ų3192.1 Ų92.122%0.21752%0.52CS..  trans-127.123.4169.2-53.90000111.1R11 V12 P14R11-S58 PolarHBondContact NE-OG 3.47Å; R11-S58 PolarHBondContact NH2-OG 3.2Å; R11-S58 VanDerWaalsContact NH2-OG 3.15Å; V12-S58 CarbonylContact O-C 3.59Å; V12-S58 VanDerWaalsContact O-C 3.29Å; V12-S58 VanDerWaalsContact O-CA 3.29Å; V12-S58 WeakPolarHBondContact O-CA 3.47Å; V12-S58 VanDerWaalsContact O-CB 3.26Å; V12-S58 WeakPolarHBondContact O-CB 3.4Å; V12-S58 PolarHBondContact O-N 3.07Å; P14-S58 WeakPolarHBondContact CD-O 3.33Å; P14-S58 WeakPolarHBondContact CG-O 3.24Å
59H89.4Confident78.4Confident29 Ų2989.3 Ų89.313%0.13451%0.514CS..SBendtrans-71.4-34-178.3-158.153.8000112.6V12 R13 F15 C26 W57V12-H59 HydrophobicContact CG1-CB 3.5Å; R13-H59 PolarHBondContact O-ND1 3.41Å; F15-H59 AromaticContact CD1-CE1 3.9Å; F15-H59 AromaticContact CD2-CE1 3.73Å; F15-H59 AromaticContact CD2-NE2 3.79Å; F15-H59 AromaticContact CE1-CE1 3.83Å; F15-H59 AromaticContact CE2-CE1 3.66Å; F15-H59 AromaticContact CE2-NE2 3.43Å; F15-H59 WeakPolarHBondContact CE2-NE2 3.45Å; F15-H59 AromaticContact CG-CE1 3.86Å; F15-H59 AromaticContact CZ-CE1 3.71Å; F15-H59 AromaticContact CZ-NE2 3.73Å; C26-H59 WeakPolarHBondContact CB-NE2 3.31Å; C26-H59 PolarHBondContact SG-NE2 2.92Å; C26-H59 VanDerWaalsContact SG-NE2 3.37Å; W57-H59 HydrophobicContact CD2-CB 3.87Å; W57-H59 HydrophobicContact CE3-CB 4.24Å; W57-H59 HydrophobicContact CH2-CB 3.67Å; W57-H59 AromaticContact CH2-CD2 3.95Å; W57-H59 AromaticContact CH2-CG 3.95Å; W57-H59 HydrophobicContact CZ2-CB 3.23Å; W57-H59 AromaticContact CZ2-CD2 3.77Å; W57-H59 AromaticContact CZ2-CG 3.8Å; W57-H59 HydrophobicContact CZ3-CB 4.15Å
60T84.7Confident77.3Confident68 Ų6889.9 Ų89.942%0.41751%0.512SS..SBendtrans-131.4154.7-176.154.50000109.3W57W57-T60 PolarHBondContact NE1-OG1 3.09Å
61S59.7Low76.1Confident92 Ų9288.9 Ų88.964%0.64352%0.515SS*.  trans-60.3158.3171.5-60.60000111.3E63 G64S61-E63 PolarHBondContact O-N 3.26Å; S61-G64 PolarHBondContact O-N 2.89Å
62P54.8Low74.8Confident125 Ų12588.9 Ų88.981%0.81251%0.508SS*.G310 helixtrans-58.7-11-172.6-23.733.7000116.2G64P62-G64 VanDerWaalsContact C-N 3.26Å; P62-G64 PolarHBondContact O-N 3.48Å
63E51.7Low73.3Confident191 Ų19190.9 Ų90.989%0.89353%0.525SS*.G310 helixtrans-79.4-3.2179.3-61.3-174.2140.700113.9S61S61-E63 PolarHBondContact O-N 3.26Å
64G46Very low71.7Confident53 Ų5391.9 Ų91.955%0.54653%0.534SS..G310 helixtrans-92.84.4-176.100000116.5S61 P62S61-G64 PolarHBondContact O-N 2.89Å; P62-G64 VanDerWaalsContact C-N 3.26Å; P62-G64 PolarHBondContact O-N 3.48Å
65H43Very low69.8Low129 Ų12991.6 Ų91.660%0.59755%0.547SS*.  trans-112.482.4175.1-70.2-76.3000109.7W57W57-H65 AromaticContact CD1-CE1 3.88Å; W57-H65 AromaticContact CD1-NE2 3.1Å; W57-H65 AromaticContact CG-NE2 3.77Å; W57-H65 AromaticContact NE1-NE2 3.61Å
66A35Very low67.6Low174 Ų17498.1 Ų98.1100%1.43858%0.584SS**  trans-98.10156.300000108.7

Retrieved 66 of 66 residues in 45.6 ms (Link to these results)