A0A096LP05_HUMAN Loading...

Cdc42 guanine nucleotide exchange factor 9

AlphaFold DB , UniProt , Accession A0A096LP05, Species HUMAN (Homo sapiens, Human), Gene ARHGEF9, Length 115 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
1M50.3Low84.3Confident248 Ų248114.3 Ų114.3100%1.22266%0.66SS**  069.40-70.1165.9178.100108.6
2A52.6Low85.3Confident65 Ų65111.3 Ų111.354%0.53764%0.64SS.*  trans-142.344.5-17500000111.3
3N63.5Low86.1Confident168 Ų168109.7 Ų109.790%0.89863%0.633SS**  trans-121.413.6179.4-74.2-38.3000112.4
4R86.7Confident86.9Confident129 Ų129103.7 Ų103.749%0.48760%0.597SS.*  trans-96.1118.2-177.9-168.1174.9-179.8172.70.2109.5E32 G34 W35R4-E32 IonicContact CZ-OE1 4Å; R4-E32 IonicContact CZ-OE2 3.98Å; R4-E32 IonicContact NH2-OE1 3.84Å; R4-E32 PolarHBondContact NH2-OE1 3.18Å; R4-E32 IonicContact NH2-OE2 2.74Å; R4-E32 PolarHBondContact NH2-OE2 3.23Å; R4-G34 VanDerWaalsContact O-CA 3.28Å; R4-G34 WeakPolarHBondContact O-CA 3.48Å; R4-W35 PolarHBondContact O-N 3.39Å
5E94.8Very high87.5Confident140 Ų140106 Ų10665%0.65460%0.597SS**BIsolated β-bridgetrans-82.7144.8166.5-66.7-179.9-17300109.5W24 W35E5-W24 HydrophobicContact CG-CZ3 4.44Å; E5-W35 CarbonylContact C-O 3.51Å; E5-W35 VanDerWaalsContact CA-O 3.27Å; E5-W35 WeakPolarHBondContact CA-O 3.15Å
6L96.1Very high88.1Confident9 Ų9102.9 Ų102.95%0.04758%0.582CS.*  trans-93.8114.7176.7-171.866.5000109.1F8 I14 I29 E32 W35 F36L6-F8 WeakPolarHBondContact O-CD1 3.38Å; L6-I14 HydrophobicContact CD2-CG2 3.93Å; L6-I29 HydrophobicContact CD1-CD1 4.36Å; L6-I29 HydrophobicContact CD2-CD1 3.95Å; L6-I29 HydrophobicContact CD2-CG1 4.03Å; L6-I29 HydrophobicContact CG-CD1 4.03Å; L6-E32 HydrophobicContact CD1-CB 4.16Å; L6-W35 PolarHBondContact N-O 3.44Å; L6-F36 HydrophobicContact CB-CB 4.32Å; L6-F36 HydrophobicContact CD2-CD1 4.13Å
7A95.3Very high88.5Confident91 Ų91101.4 Ų101.475%0.75257%0.571SS**  trans-87.8139.2175.200000110.5
8F96.9Very high88.9Confident58 Ų5899.1 Ų99.125%0.25456%0.557SS.*  trans-152.4169.4-178.260.6-83.5000111L6 D12 I14 I29 F36 F40 V41L6-F8 WeakPolarHBondContact O-CD1 3.38Å; F8-D12 HydrophobicContact CB-CB 4.3Å; F8-I14 HydrophobicContact CB-CD1 4.19Å; F8-I14 HydrophobicContact CD1-CD1 3.88Å; F8-I14 HydrophobicContact CD2-CD1 4.07Å; F8-I14 HydrophobicContact CE1-CD1 4.3Å; F8-I14 HydrophobicContact CE2-CD1 4.43Å; F8-I14 HydrophobicContact CG-CD1 3.78Å; F8-I29 HydrophobicContact CB-CD1 3.61Å; F8-F36 HydrophobicContact CD1-CB 4.41Å; F8-F36 HydrophobicContact CE1-CB 3.81Å; F8-F36 HydrophobicContact CE1-CD2 4.49Å; F8-F36 HydrophobicContact CE1-CG 4.49Å; F8-F40 HydrophobicContact CE2-CB 4.22Å; F8-F40 HydrophobicContact CZ-CB 3.74Å; F8-V41 HydrophobicContact CE2-CG1 4.32Å; F8-V41 HydrophobicContact CZ-CG1 4.35Å
9K97.6Very high89.3Confident162 Ų16296.7 Ų96.770%0.70455%0.551SS**  trans-120162.8177.1-63.5176-175.11710110.6G11 D12K9-G11 PolarHBondContact O-N 3.33Å; K9-D12 PolarHBondContact N-OD2 3.35Å; K9-D12 WeakPolarHBondContact O-CB 3.41Å; K9-D12 PolarHBondContact O-N 3.31Å; K9-D12 VanDerWaalsContact O-N 3.12Å
10A97.4Very high89.6Confident111 Ų11197.4 Ų97.492%0.91756%0.562SS**THydrogen-bonded Turntrans-60.7125.3175.200000110.4
11G95.8Very high89.8Confident76 Ų7696.5 Ų96.578%0.78456%0.555SS**THydrogen-bonded Turntrans102.6-14.6-177.100000114.3K9K9-G11 PolarHBondContact O-N 3.33Å
12D96.8Very high91.9Very high78 Ų7892.7 Ų92.742%0.41753%0.532SS..  trans-67.2142174.7-63.8-10.9000110.3F8 K9F8-D12 HydrophobicContact CB-CB 4.3Å; K9-D12 PolarHBondContact N-OD2 3.35Å; K9-D12 WeakPolarHBondContact O-CB 3.41Å; K9-D12 PolarHBondContact O-N 3.31Å; K9-D12 VanDerWaalsContact O-N 3.12Å
13V96.2Very high94Very high91 Ų9193.8 Ų93.855%0.55253%0.529SS*.  trans-100.5124.3177.6-177.40000108.6W44V13-W44 HydrophobicContact CB-CZ2 4.39Å; V13-W44 HydrophobicContact CG1-CH2 3.77Å; V13-W44 HydrophobicContact CG1-CZ2 3.72Å; V13-W44 HydrophobicContact CG2-CH2 4.19Å; V13-W44 HydrophobicContact CG2-CZ2 3.7Å
14I97.1Very high95.6Very high26 Ų2690.6 Ų90.613%0.13350%0.504CS..  trans-112.5126.1-177-47.9-173.5000108.6L6 F8 V16 I29 F36 V41L6-I14 HydrophobicContact CD2-CG2 3.93Å; F8-I14 HydrophobicContact CB-CD1 4.19Å; F8-I14 HydrophobicContact CD1-CD1 3.88Å; F8-I14 HydrophobicContact CD2-CD1 4.07Å; F8-I14 HydrophobicContact CE1-CD1 4.3Å; F8-I14 HydrophobicContact CE2-CD1 4.43Å; F8-I14 HydrophobicContact CG-CD1 3.78Å; I14-V16 PolarHBondContact O-N 3.04Å; I14-I29 HydrophobicContact CB-CG1 4.3Å; I14-I29 HydrophobicContact CD1-CD1 4.02Å; I14-I29 HydrophobicContact CD1-CG1 4.48Å; I14-I29 HydrophobicContact CG1-CD1 3.81Å; I14-I29 HydrophobicContact CG1-CG1 3.83Å; I14-I29 HydrophobicContact CG2-CG1 4.22Å; I14-F36 HydrophobicContact CD1-CD2 4.25Å; I14-F36 HydrophobicContact CD1-CE2 4.37Å; I14-F36 HydrophobicContact CD1-CG 4.44Å; I14-F36 HydrophobicContact CG2-CD1 4.31Å; I14-F36 HydrophobicContact CG2-CE1 3.81Å; I14-F36 HydrophobicContact CG2-CZ 3.99Å; I14-V41 HydrophobicContact CD1-CG1 4.12Å
15K96.3Very high96.1Very high138 Ų13886.3 Ų86.360%0.649%0.488SS*.EExtended strand (participates in β ladder)trans-79.3116.7168.7-175.1178-179.3179.80108.6L17 G27 Q28K15-L17 HydrophobicContact CD-CD2 4.32Å; K15-L17 HydrophobicContact CG-CD2 4.32Å; K15-G27 CarbonylContact O-C 3.49Å; K15-G27 WeakPolarHBondContact O-CA 3.42Å; K15-Q28 HydrophobicContact CB-CB 4.49Å; K15-Q28 PolarHBondContact N-O 2.84Å; K15-Q28 PolarHBondContact O-N 2.96Å
16V96.4Very high96.2Very high57 Ų5782 Ų8235%0.34547%0.466SS..EExtended strand (participates in β ladder)trans-77.9124.5177.5-171.40000109.1I14 A19 W25 F36I14-V16 PolarHBondContact O-N 3.04Å; V16-A19 HydrophobicContact CG1-CB 4.03Å; V16-W25 HydrophobicContact CG1-CB 4.39Å; V16-W25 HydrophobicContact CG1-CE3 4.26Å; V16-W25 HydrophobicContact CG2-CE3 4.24Å; V16-F36 HydrophobicContact CG2-CZ 4.22Å
17L95.5Very high96.2Very high76 Ų7681.5 Ų81.540%0.39846%0.463SS..EExtended strand (participates in β ladder)trans-104-35-179.4-62.6-179.4000111.9K15 W26 Q28 E33K15-L17 HydrophobicContact CD-CD2 4.32Å; K15-L17 HydrophobicContact CG-CD2 4.32Å; L17-W26 PolarHBondContact N-O 3.34Å; L17-Q28 HydrophobicContact CD1-CB 4Å; L17-Q28 HydrophobicContact CG-CB 4.36Å; L17-E33 HydrophobicContact CD1-CG 4.1Å
18D95.3Very high96.3Very high60 Ų6079.6 Ų79.632%0.32144%0.439SS..EExtended strand (participates in β ladder)trans-143.5125.1173.3-176.38.9000110.8S20 W25 W26D18-S20 WeakPolarHBondContact OD1-CB 3.42Å; D18-S20 PolarHBondContact OD1-N 3.38Å; D18-S20 PolarHBondContact OD1-OG 2.89Å; D18-W25 CarbonylContact O-C 3.56Å; D18-W25 VanDerWaalsContact O-CA 3.31Å; D18-W25 WeakPolarHBondContact O-CA 3.27Å; D18-W25 WeakPolarHBondContact O-CB 3.28Å; D18-W26 HydrophobicContact CB-CB 3.89Å; D18-W26 PolarHBondContact N-O 3.49Å; D18-W26 PolarHBondContact O-N 2.93Å
19A95.8Very high96.3Very high54 Ų5478.2 Ų78.245%0.44643%0.434SS..  trans-121.521.9176.400000112.8V16 N21 W25V16-A19 HydrophobicContact CG1-CB 4.03Å; A19-N21 PolarHBondContact O-N 3.19Å; A19-W25 HydrophobicContact CB-CD2 4.07Å; A19-W25 HydrophobicContact CB-CG 4.08Å; A19-W25 HydrophobicContact CB-CZ2 4.46Å
20S94.9Very high96Very high110 Ų11077.4 Ų77.477%0.76944%0.437SS*.  trans-64.3-26.3-178-57.50000113D18D18-S20 WeakPolarHBondContact OD1-CB 3.42Å; D18-S20 PolarHBondContact OD1-N 3.38Å; D18-S20 PolarHBondContact OD1-OG 2.89Å
21N95.1Very high95.6Very high79 Ų7979.7 Ų79.742%0.42243%0.434SS..SBendtrans-94.8142.6172.9-177.6-50.7000110.4A19 D23 W24 W25A19-N21 PolarHBondContact O-N 3.19Å; N21-D23 PolarHBondContact OD1-N 3.06Å; N21-W24 WeakPolarHBondContact CB-O 3.47Å; N21-W24 PolarHBondContact OD1-N 3.06Å; N21-W25 PolarHBondContact O-NE1 3.07Å
22K94.8Very high95.5Very high168 Ų16880.7 Ų80.773%0.7342%0.418SS*.SBendtrans-72.2-29.9-175.973179.7-168.9-179.30114.5
23D96.3Very high95.5Very high88 Ų8880.8 Ų80.847%0.47142%0.416SS..SBendtrans-108.1-29.8-169.6-63.7-45.1000112N21 P37 A38N21-D23 PolarHBondContact OD1-N 3.06Å; D23-P37 CarbonylContact O-C 3.58Å; D23-P37 WeakPolarHBondContact O-CA 3.5Å; D23-A38 PolarHBondContact O-N 3.07Å
24W96.5Very high95.5Very high102 Ų10276.5 Ų76.539%0.38639%0.39SS..EExtended strand (participates in β ladder)trans-128.7122-174.5-73.989.4000110.9E5 N21 W35E5-W24 HydrophobicContact CG-CZ3 4.44Å; N21-W24 WeakPolarHBondContact CB-O 3.47Å; N21-W24 PolarHBondContact OD1-N 3.06Å; W24-W35 HydrophobicContact CB-CE3 4.14Å; W24-W35 HydrophobicContact CE3-CB 3.98Å; W24-W35 HydrophobicContact CZ3-CB 4.34Å; W24-W35 WeakPolarHBondContact O-CZ3 3.37Å
25W97.4Very high95.5Very high39 Ų3979 Ų7915%0.14840%0.398CS..EExtended strand (participates in β ladder)trans-111.6148.2179.5-65.1-11.8000110.6V16 D18 A19 N21 W35 F36 A38 V41 L43V16-W25 HydrophobicContact CG1-CB 4.39Å; V16-W25 HydrophobicContact CG1-CE3 4.26Å; V16-W25 HydrophobicContact CG2-CE3 4.24Å; D18-W25 CarbonylContact O-C 3.56Å; D18-W25 VanDerWaalsContact O-CA 3.31Å; D18-W25 WeakPolarHBondContact O-CA 3.27Å; D18-W25 WeakPolarHBondContact O-CB 3.28Å; A19-W25 HydrophobicContact CB-CD2 4.07Å; A19-W25 HydrophobicContact CB-CG 4.08Å; A19-W25 HydrophobicContact CB-CZ2 4.46Å; N21-W25 PolarHBondContact O-NE1 3.07Å; W25-W35 CarbonylContact O-C 3.56Å; W25-W35 WeakPolarHBondContact O-CA 3.26Å; W25-F36 HydrophobicContact CB-CD1 4.48Å; W25-F36 HydrophobicContact CB-CE1 3.83Å; W25-F36 HydrophobicContact CB-CE2 4.14Å; W25-F36 HydrophobicContact CB-CZ 3.65Å; W25-F36 HydrophobicContact CE3-CE2 4.05Å; W25-F36 HydrophobicContact CE3-CZ 4.02Å; W25-F36 PolarHBondContact N-O 3.42Å; W25-F36 VanDerWaalsContact O-CD1 3.26Å; W25-F36 WeakPolarHBondContact O-CD1 3.3Å; W25-F36 PolarHBondContact O-N 3.21Å; W25-A38 HydrophobicContact CD2-CB 3.63Å; W25-A38 VanDerWaalsContact CE2-CB 3.44Å; W25-A38 HydrophobicContact CE3-CB 4.07Å; W25-A38 HydrophobicContact CG-CB 4.05Å; W25-A38 HydrophobicContact CH2-CB 4.19Å; W25-A38 HydrophobicContact CZ2-CB 3.75Å; W25-A38 HydrophobicContact CZ3-CB 4.33Å; W25-V41 HydrophobicContact CE3-CG2 4.12Å; W25-V41 HydrophobicContact CZ3-CG2 3.8Å; W25-L43 HydrophobicContact CH2-CD1 4.13Å; W25-L43 HydrophobicContact CH2-CD2 4.09Å; W25-L43 HydrophobicContact CH2-CG 4.19Å; W25-L43 HydrophobicContact CZ3-CD2 3.78Å; W25-L43 HydrophobicContact CZ3-CG 4.29Å
26W97Very high95.5Very high48 Ų4872.4 Ų72.418%0.18237%0.369CS..EExtended strand (participates in β ladder)trans-91.6132.5169-168-106.5000108.2L17 D18 E33 G34 W35L17-W26 PolarHBondContact N-O 3.34Å; D18-W26 HydrophobicContact CB-CB 3.89Å; D18-W26 PolarHBondContact N-O 3.49Å; D18-W26 PolarHBondContact O-N 2.93Å; W26-E33 HydrophobicContact CZ2-CB 3.76Å; W26-E33 PolarHBondContact NE1-OE2 2.97Å; W26-E33 VanDerWaalsContact NE1-OE2 3.08Å; W26-G34 VanDerWaalsContact CH2-CA 3.49Å; W26-W35 HydrophobicContact CB-CE3 4.17Å; W26-W35 HydrophobicContact CB-CH2 4.08Å; W26-W35 HydrophobicContact CB-CZ2 4.5Å; W26-W35 HydrophobicContact CB-CZ3 3.92Å; W26-W35 HydrophobicContact CE3-CB 4.22Å; W26-W35 AromaticContact CE3-CD1 3.52Å; W26-W35 AromaticContact CE3-CD2 3.53Å; W26-W35 HydrophobicContact CE3-CD2 3.53Å; W26-W35 AromaticContact CE3-CE2 3.46Å; W26-W35 VanDerWaalsContact CE3-CE2 3.46Å; W26-W35 HydrophobicContact CE3-CE3 4.24Å; W26-W35 AromaticContact CE3-CG 3.51Å; W26-W35 HydrophobicContact CE3-CG 3.51Å; W26-W35 HydrophobicContact CE3-CZ2 4.1Å; W26-W35 VanDerWaalsContact CE3-N 3.28Å; W26-W35 AromaticContact CE3-NE1 3.46Å; W26-W35 HydrophobicContact CZ3-CB 4.37Å; W26-W35 AromaticContact CZ3-CD1 3.31Å; W26-W35 HydrophobicContact CZ3-CD2 4.17Å; W26-W35 AromaticContact CZ3-CE2 3.97Å; W26-W35 AromaticContact CZ3-CG 3.73Å; W26-W35 HydrophobicContact CZ3-CG 3.73Å; W26-W35 VanDerWaalsContact CZ3-N 3.28Å; W26-W35 AromaticContact CZ3-NE1 3.45Å
27G96.8Very high95.6Very high0 Ų071.1 Ų71.10%036%0.362CS..EExtended strand (participates in β ladder)trans-152.8178.5178.800000113.3K15 E33 G34K15-G27 CarbonylContact O-C 3.49Å; K15-G27 WeakPolarHBondContact O-CA 3.42Å; G27-E33 WeakPolarHBondContact O-CA 3.37Å; G27-G34 PolarHBondContact N-O 3.43Å; G27-G34 VanDerWaalsContact N-O 3.07Å; G27-G34 PolarHBondContact O-N 3.19Å; G27-G34 VanDerWaalsContact O-N 3.09Å
28Q96.6Very high95.7Very high50 Ų5068.2 Ų68.223%0.23435%0.349CS..EExtended strand (participates in β ladder)trans-132.7136.1-173.3-176174.858.100110.9K15 L17 D30 E32 E33K15-Q28 HydrophobicContact CB-CB 4.49Å; K15-Q28 PolarHBondContact N-O 2.84Å; K15-Q28 PolarHBondContact O-N 2.96Å; L17-Q28 HydrophobicContact CD1-CB 4Å; L17-Q28 HydrophobicContact CG-CB 4.36Å; Q28-D30 VanDerWaalsContact CG-O 3.3Å; Q28-D30 WeakPolarHBondContact CG-O 3.28Å; Q28-E32 VanDerWaalsContact CA-O 3.29Å; Q28-E32 WeakPolarHBondContact CA-O 3.46Å; Q28-E33 HydrophobicContact CB-CG 4.01Å; Q28-E33 HydrophobicContact CG-CG 3.98Å; Q28-E33 PolarHBondContact NE2-OE1 3.2Å; Q28-E33 VanDerWaalsContact NE2-OE1 3.16Å
29I96.1Very high95.8Very high29 Ų2970.3 Ų70.315%0.14937%0.368CS..EExtended strand (participates in β ladder)trans-125.8121.5166.3-62.7165.3000106.2L6 F8 I14 D31 E32L6-I29 HydrophobicContact CD1-CD1 4.36Å; L6-I29 HydrophobicContact CD2-CD1 3.95Å; L6-I29 HydrophobicContact CD2-CG1 4.03Å; L6-I29 HydrophobicContact CG-CD1 4.03Å; F8-I29 HydrophobicContact CB-CD1 3.61Å; I14-I29 HydrophobicContact CB-CG1 4.3Å; I14-I29 HydrophobicContact CD1-CD1 4.02Å; I14-I29 HydrophobicContact CD1-CG1 4.48Å; I14-I29 HydrophobicContact CG1-CD1 3.81Å; I14-I29 HydrophobicContact CG1-CG1 3.83Å; I14-I29 HydrophobicContact CG2-CG1 4.22Å; I29-D31 PolarHBondContact O-N 2.84Å; I29-D31 VanDerWaalsContact O-N 3.14Å; I29-E32 PolarHBondContact N-O 2.81Å; I29-E32 PolarHBondContact O-N 2.76Å
30D91.3Very high95.9Very high145 Ų14574.9 Ų74.978%0.77538%0.378SS*.THydrogen-bonded Turntrans50-116.7-171.3-56.4-41.2000111.1Q28Q28-D30 VanDerWaalsContact CG-O 3.3Å; Q28-D30 WeakPolarHBondContact CG-O 3.28Å
31D90.4Very high96Very high159 Ų15971.8 Ų71.885%0.8536%0.355SS*.THydrogen-bonded Turntrans-99.62.7178.2-62.2-48.9000113.3I29I29-D31 PolarHBondContact O-N 2.84Å; I29-D31 VanDerWaalsContact O-N 3.14Å
32E93.7Very high96.1Very high98 Ų9876 Ų7646%0.45837%0.365SS..EExtended strand (participates in β ladder)trans-98.3128.6-179.5-59.3-147.714800112.2R4 L6 Q28 I29R4-E32 IonicContact CZ-OE1 4Å; R4-E32 IonicContact CZ-OE2 3.98Å; R4-E32 IonicContact NH2-OE1 3.84Å; R4-E32 PolarHBondContact NH2-OE1 3.18Å; R4-E32 IonicContact NH2-OE2 2.74Å; R4-E32 PolarHBondContact NH2-OE2 3.23Å; L6-E32 HydrophobicContact CD1-CB 4.16Å; Q28-E32 VanDerWaalsContact CA-O 3.29Å; Q28-E32 WeakPolarHBondContact CA-O 3.46Å; I29-E32 PolarHBondContact N-O 2.81Å; I29-E32 PolarHBondContact O-N 2.76Å
33E95.8Very high96.1Very high80 Ų8072.4 Ų72.437%0.37435%0.353SS..EExtended strand (participates in β ladder)trans-115.3145.9174.8-64.6-176.1-165.700112L17 W26 G27 Q28L17-E33 HydrophobicContact CD1-CG 4.1Å; W26-E33 HydrophobicContact CZ2-CB 3.76Å; W26-E33 PolarHBondContact NE1-OE2 2.97Å; W26-E33 VanDerWaalsContact NE1-OE2 3.08Å; G27-E33 WeakPolarHBondContact O-CA 3.37Å; Q28-E33 HydrophobicContact CB-CG 4.01Å; Q28-E33 HydrophobicContact CG-CG 3.98Å; Q28-E33 PolarHBondContact NE2-OE1 3.2Å; Q28-E33 VanDerWaalsContact NE2-OE1 3.16Å
34G96.6Very high95.9Very high0 Ų076.6 Ų76.60%036%0.363CS..EExtended strand (participates in β ladder)trans-176.4171.9178.800000114.1R4 W26 G27R4-G34 VanDerWaalsContact O-CA 3.28Å; R4-G34 WeakPolarHBondContact O-CA 3.48Å; W26-G34 VanDerWaalsContact CH2-CA 3.49Å; G27-G34 PolarHBondContact N-O 3.43Å; G27-G34 VanDerWaalsContact N-O 3.07Å; G27-G34 PolarHBondContact O-N 3.19Å; G27-G34 VanDerWaalsContact O-N 3.09Å
35W96.7Very high95.6Very high78 Ų7874.2 Ų74.230%0.29536%0.359SS..EExtended strand (participates in β ladder)trans-78.7135.8172.1-72.5110000110.8R4 E5 L6 W24 W25 W26R4-W35 PolarHBondContact O-N 3.39Å; E5-W35 CarbonylContact C-O 3.51Å; E5-W35 VanDerWaalsContact CA-O 3.27Å; E5-W35 WeakPolarHBondContact CA-O 3.15Å; L6-W35 PolarHBondContact N-O 3.44Å; W24-W35 HydrophobicContact CB-CE3 4.14Å; W24-W35 HydrophobicContact CE3-CB 3.98Å; W24-W35 HydrophobicContact CZ3-CB 4.34Å; W24-W35 WeakPolarHBondContact O-CZ3 3.37Å; W25-W35 CarbonylContact O-C 3.56Å; W25-W35 WeakPolarHBondContact O-CA 3.26Å; W26-W35 HydrophobicContact CB-CE3 4.17Å; W26-W35 HydrophobicContact CB-CH2 4.08Å; W26-W35 HydrophobicContact CB-CZ2 4.5Å; W26-W35 HydrophobicContact CB-CZ3 3.92Å; W26-W35 HydrophobicContact CE3-CB 4.22Å; W26-W35 AromaticContact CE3-CD1 3.52Å; W26-W35 AromaticContact CE3-CD2 3.53Å; W26-W35 HydrophobicContact CE3-CD2 3.53Å; W26-W35 AromaticContact CE3-CE2 3.46Å; W26-W35 VanDerWaalsContact CE3-CE2 3.46Å; W26-W35 HydrophobicContact CE3-CE3 4.24Å; W26-W35 AromaticContact CE3-CG 3.51Å; W26-W35 HydrophobicContact CE3-CG 3.51Å; W26-W35 HydrophobicContact CE3-CZ2 4.1Å; W26-W35 VanDerWaalsContact CE3-N 3.28Å; W26-W35 AromaticContact CE3-NE1 3.46Å; W26-W35 HydrophobicContact CZ3-CB 4.37Å; W26-W35 AromaticContact CZ3-CD1 3.31Å; W26-W35 HydrophobicContact CZ3-CD2 4.17Å; W26-W35 AromaticContact CZ3-CE2 3.97Å; W26-W35 AromaticContact CZ3-CG 3.73Å; W26-W35 HydrophobicContact CZ3-CG 3.73Å; W26-W35 VanDerWaalsContact CZ3-N 3.28Å; W26-W35 AromaticContact CZ3-NE1 3.45Å
36F97.6Very high95.2Very high1 Ų174.7 Ų74.70%0.00436%0.364CS..EExtended strand (participates in β ladder)trans-138.2152.5172.767.5-81.8000111.5L6 F8 I14 V16 W25 A38 V41L6-F36 HydrophobicContact CB-CB 4.32Å; L6-F36 HydrophobicContact CD2-CD1 4.13Å; F8-F36 HydrophobicContact CD1-CB 4.41Å; F8-F36 HydrophobicContact CE1-CB 3.81Å; F8-F36 HydrophobicContact CE1-CD2 4.49Å; F8-F36 HydrophobicContact CE1-CG 4.49Å; I14-F36 HydrophobicContact CD1-CD2 4.25Å; I14-F36 HydrophobicContact CD1-CE2 4.37Å; I14-F36 HydrophobicContact CD1-CG 4.44Å; I14-F36 HydrophobicContact CG2-CD1 4.31Å; I14-F36 HydrophobicContact CG2-CE1 3.81Å; I14-F36 HydrophobicContact CG2-CZ 3.99Å; V16-F36 HydrophobicContact CG2-CZ 4.22Å; W25-F36 HydrophobicContact CB-CD1 4.48Å; W25-F36 HydrophobicContact CB-CE1 3.83Å; W25-F36 HydrophobicContact CB-CE2 4.14Å; W25-F36 HydrophobicContact CB-CZ 3.65Å; W25-F36 HydrophobicContact CE3-CE2 4.05Å; W25-F36 HydrophobicContact CE3-CZ 4.02Å; W25-F36 PolarHBondContact N-O 3.42Å; W25-F36 VanDerWaalsContact O-CD1 3.26Å; W25-F36 WeakPolarHBondContact O-CD1 3.3Å; W25-F36 PolarHBondContact O-N 3.21Å; F36-A38 PolarHBondContact O-N 2.97Å; F36-V41 HydrophobicContact CD2-CG1 3.91Å; F36-V41 HydrophobicContact CE2-CB 4.41Å; F36-V41 HydrophobicContact CE2-CG1 3.68Å; F36-V41 HydrophobicContact CE2-CG2 3.87Å
37P97.6Very high94.4Very high30 Ų3078.4 Ų78.420%0.19538%0.384CS..EExtended strand (participates in β ladder)trans-74.6127.2-179.428.4-33.7000111.6D23 S39 F40D23-P37 CarbonylContact O-C 3.58Å; D23-P37 WeakPolarHBondContact O-CA 3.5Å; P37-S39 PolarHBondContact O-N 3.33Å; P37-F40 HydrophobicContact CB-CD2 3.79Å; P37-F40 HydrophobicContact CB-CE2 4.29Å; P37-F40 HydrophobicContact CG-CB 4.11Å; P37-F40 HydrophobicContact CG-CD2 3.47Å; P37-F40 VanDerWaalsContact CG-CD2 3.47Å; P37-F40 HydrophobicContact CG-CE2 4.02Å; P37-F40 HydrophobicContact CG-CG 3.83Å; P37-F40 PolarHBondContact O-N 3.09Å
38A97.6Very high93Very high15 Ų1583.8 Ų83.812%0.12441%0.409CS..G310 helixtrans-61-28.8-179.400000113D23 W25 F36 F40 V41D23-A38 PolarHBondContact O-N 3.07Å; W25-A38 HydrophobicContact CD2-CB 3.63Å; W25-A38 VanDerWaalsContact CE2-CB 3.44Å; W25-A38 HydrophobicContact CE3-CB 4.07Å; W25-A38 HydrophobicContact CG-CB 4.05Å; W25-A38 HydrophobicContact CH2-CB 4.19Å; W25-A38 HydrophobicContact CZ2-CB 3.75Å; W25-A38 HydrophobicContact CZ3-CB 4.33Å; F36-A38 PolarHBondContact O-N 2.97Å; A38-F40 PolarHBondContact O-N 2.89Å; A38-V41 VanDerWaalsContact O-CG2 3.25Å; A38-V41 WeakPolarHBondContact O-CG2 3.35Å; A38-V41 PolarHBondContact O-N 3.49Å
39S97.3Very high90.9Very high103 Ų10388.6 Ų88.672%0.7244%0.436SS*.G310 helixtrans-71.9-8.4-179.356.30000114.7P37P37-S39 PolarHBondContact O-N 3.33Å
40F97.8Very high88.6Confident150 Ų15096.2 Ų96.266%0.65847%0.471SS*.G310 helixtrans-100.2-1.1-179.7-76.2-117000112.9F8 P37 A38F8-F40 HydrophobicContact CE2-CB 4.22Å; F8-F40 HydrophobicContact CZ-CB 3.74Å; P37-F40 HydrophobicContact CB-CD2 3.79Å; P37-F40 HydrophobicContact CB-CE2 4.29Å; P37-F40 HydrophobicContact CG-CB 4.11Å; P37-F40 HydrophobicContact CG-CD2 3.47Å; P37-F40 VanDerWaalsContact CG-CD2 3.47Å; P37-F40 HydrophobicContact CG-CE2 4.02Å; P37-F40 HydrophobicContact CG-CG 3.83Å; P37-F40 PolarHBondContact O-N 3.09Å; A38-F40 PolarHBondContact O-N 2.89Å
41V97.3Very high86.4Confident46 Ų4694.5 Ų94.528%0.27947%0.466SS..  trans-119.3161.2-179.9-620000111.3F8 I14 W25 F36 A38F8-V41 HydrophobicContact CE2-CG1 4.32Å; F8-V41 HydrophobicContact CZ-CG1 4.35Å; I14-V41 HydrophobicContact CD1-CG1 4.12Å; W25-V41 HydrophobicContact CE3-CG2 4.12Å; W25-V41 HydrophobicContact CZ3-CG2 3.8Å; F36-V41 HydrophobicContact CD2-CG1 3.91Å; F36-V41 HydrophobicContact CE2-CB 4.41Å; F36-V41 HydrophobicContact CE2-CG1 3.68Å; F36-V41 HydrophobicContact CE2-CG2 3.87Å; A38-V41 VanDerWaalsContact O-CG2 3.25Å; A38-V41 WeakPolarHBondContact O-CG2 3.35Å; A38-V41 PolarHBondContact O-N 3.49Å
42R96.1Very high84.2Confident167 Ų16795.5 Ų95.563%0.6347%0.465SS*.  trans-123.8124.6170-177.7179.2177.4132.9-0.9108.4E89R42-E89 IonicContact CZ-OE1 2.84Å; R42-E89 IonicContact CZ-OE2 3.85Å; R42-E89 VanDerWaalsContact NH2-CD 3.27Å; R42-E89 IonicContact NH2-OE1 2.76Å; R42-E89 PolarHBondContact NH2-OE1 2.86Å; R42-E89 VanDerWaalsContact NH2-OE1 3.15Å; R42-E89 IonicContact NH2-OE2 3.89Å; R42-E89 PolarHBondContact NH2-OE2 2.87Å
43L94.9Very high81.7Confident93 Ų9399.4 Ų99.449%0.48748%0.484SS..PPolyproline II helixtrans-66.4142.1174.3-65.6178000110.5W25W25-L43 HydrophobicContact CH2-CD1 4.13Å; W25-L43 HydrophobicContact CH2-CD2 4.09Å; W25-L43 HydrophobicContact CH2-CG 4.19Å; W25-L43 HydrophobicContact CZ3-CD2 3.78Å; W25-L43 HydrophobicContact CZ3-CG 4.29Å
44W93.3Very high78.9Confident176 Ų17698.1 Ų98.167%0.66749%0.492SS*.PPolyproline II helixtrans-71.1139.9170.5-67.4-4.2000110.4V13 Q47V13-W44 HydrophobicContact CB-CZ2 4.39Å; V13-W44 HydrophobicContact CG1-CH2 3.77Å; V13-W44 HydrophobicContact CG1-CZ2 3.72Å; V13-W44 HydrophobicContact CG2-CH2 4.19Å; V13-W44 HydrophobicContact CG2-CZ2 3.7Å; W44-Q47 HydrophobicContact CB-CG 4.24Å; W44-Q47 PolarHBondContact O-NE2 3.35Å
45V89.6Confident76.6Confident51 Ų51104.2 Ų104.231%0.30953%0.531SS..SBendtrans-78144.1170.7-170.80000107.8N85 V86 E89V45-N85 HydrophobicContact CG1-CB 3.92Å; V45-V86 HydrophobicContact CB-CG2 4.08Å; V45-V86 HydrophobicContact CG1-CG2 4.13Å; V45-V86 HydrophobicContact CG2-CG2 4.49Å; V45-E89 HydrophobicContact CG2-CB 4.16Å; V45-E89 HydrophobicContact CG2-CG 4.01Å
46N88.8Confident73.9Confident49 Ų49106 Ų10626%0.26256%0.556SS.*  trans67.146.6-177.8-40.3-51.6000113.3E48 M82 N85N46-E48 PolarHBondContact O-N 2.88Å; N46-M82 HydrophobicContact CB-CG 4.32Å; N46-M82 PolarHBondContact ND2-O 2.86Å; N46-N85 WeakPolarHBondContact OD1-CB 2.91Å; N46-N85 PolarHBondContact OD1-ND2 3.25Å
47Q80.3Confident71.6Confident126 Ų126112.9 Ų112.959%0.58959%0.593SS**  trans-74.180.4161.5-71171.845.700107.6W44W44-Q47 HydrophobicContact CB-CG 4.24Å; W44-Q47 PolarHBondContact O-NE2 3.35Å
48E68.3Low69Low113 Ų113118.3 Ų118.353%0.52863%0.625SS.*  trans-77.5125.9167.1-65.7172.5-154.200106.7N46 E50N46-E48 PolarHBondContact O-N 2.88Å; E48-E50 PolarHBondContact O-N 2.87Å
49D52.1Low67Low152 Ų152125.7 Ų125.781%0.81366%0.657SS**  trans-59.2112170.9-68.2-54.7000107.7V51D49-V51 HydrophobicContact CB-CG2 4Å; D49-V51 PolarHBondContact O-N 2.75Å
50E48Very low64.2Low189 Ų189128.8 Ų128.888%0.88367%0.665SS**  trans-67.175.1161-70.8-169170.800108E48 E52E48-E50 PolarHBondContact O-N 2.87Å; E50-E52 PolarHBondContact O-N 3.12Å; E50-E52 VanDerWaalsContact O-N 3.16Å
51V44.4Very low61.5Low109 Ų109125.2 Ų125.266%0.66167%0.671SS**  trans-78.287.4156.3-171.70000105.5D49 E53D49-V51 HydrophobicContact CB-CG2 4Å; D49-V51 PolarHBondContact O-N 2.75Å; V51-E53 VanDerWaalsContact C-N 3.3Å; V51-E53 HydrophobicContact CG1-CG 4.12Å; V51-E53 PolarHBondContact O-N 3.25Å
52E44.1Very low58.7Low179 Ų179130.4 Ų130.484%0.83669%0.692SS**  trans-58.197.5156.8-86.9-154.8139.600108.1E50E50-E52 PolarHBondContact O-N 3.12Å; E50-E52 VanDerWaalsContact O-N 3.16Å
53E40.9Very low56.2Low180 Ų180130.3 Ų130.384%0.84170%0.703SS**  trans-87119.4149.3-70.1-145.715200108V51V51-E53 VanDerWaalsContact C-N 3.3Å; V51-E53 HydrophobicContact CG1-CG 4.12Å; V51-E53 PolarHBondContact O-N 3.25Å
54G37.9Very low53.9Low53 Ų53131.7 Ų131.755%0.54671%0.711SS.*  trans-69.8-177-157.500000118.3S56G54-S56 PolarHBondContact O-N 2.91Å
55P48Very low52Low128 Ų128129.5 Ų129.583%0.83172%0.719SS**  trans-75.4112.9-177.331.4-30.4000109.2
56S39.4Very low50.2Low117 Ų117134.6 Ų134.682%0.81875%0.745SS**  trans-96.998.7159.633.10000109.1G54G54-S56 PolarHBondContact O-N 2.91Å
57D48.8Very low48.3Very low144 Ų144137.1 Ų137.177%0.7777%0.766SS**  trans-56.9131.4156.2-73.1-57.7000109.2
58V44Very low46.6Very low145 Ų145137.7 Ų137.788%0.87977%0.774SS**  -174.9148.795.6-134.30000111.5
59Q55Low45.7Very low169 Ų169138 Ų13879%0.7979%0.787SS**  trans-70.7156.8-173.3-69.2150.3-0.700116.7
60N39.1Very low45.8Very low168 Ų168138 Ų13890%0.89879%0.786SS**  171.6130.6118-90.5-47.2000114.3
61G40.1Very low45.8Very low75 Ų75134.6 Ų134.677%0.77378%0.782SS**  trans113.4117.9139.800000120.2
62H38.6Very low46Very low156 Ų156136.1 Ų136.172%0.72279%0.785SS**  trans79.8109.6157.2-147-84.3000119.2D64H62-D64 IonicContact CE1-OD1 3.7Å; H62-D64 IonicContact CE1-OD2 3.56Å; H62-D64 IonicContact ND1-OD1 3.88Å; H62-D64 IonicContact ND1-OD2 2.96Å; H62-D64 PolarHBondContact ND1-OD2 2.97Å
63L44Very low46.2Very low165 Ų165129.4 Ų129.486%0.86476%0.764SS**  trans-89.4109.1165.4-73166.1000108.8
64D48.1Very low46.8Very low121 Ų121131.3 Ų131.365%0.64776%0.764SS**  trans-85.2121.6165.7-84.7-76.7000110.2H62 N66H62-D64 IonicContact CE1-OD1 3.7Å; H62-D64 IonicContact CE1-OD2 3.56Å; H62-D64 IonicContact ND1-OD1 3.88Å; H62-D64 IonicContact ND1-OD2 2.96Å; H62-D64 PolarHBondContact ND1-OD2 2.97Å; D64-N66 VanDerWaalsContact C-N 3.26Å; D64-N66 PolarHBondContact O-N 3.14Å
65P51.8Low47.6Very low130 Ų130133 Ų13384%0.84477%0.765SS**THydrogen-bonded Turntrans-79.611-174.4-12.828.7000115.8
66N52.6Low47.8Very low159 Ų159132.3 Ų132.385%0.8575%0.754SS**THydrogen-bonded Turntrans-144.938-168-157.946.8000115.1D64D64-N66 VanDerWaalsContact C-N 3.26Å; D64-N66 PolarHBondContact O-N 3.14Å
67S48.1Very low48.8Very low101 Ų101133.6 Ų133.671%0.70675%0.747SS**SBendtrans-116.6133.9166.7-153.50000109.6
68D45.7Very low50.2Low139 Ų139129.9 Ų129.974%0.74373%0.727SS**  trans-49.4151.4-165.8-62.6-68.4000115L70D68-L70 WeakPolarHBondContact O-CG 3.48Å; D68-L70 PolarHBondContact O-N 2.88Å
69C49.7Very low52.3Low119 Ų119130.6 Ų130.680%0.80471%0.714SS**  trans-41.199.1174.2-177.30000113.4
70L53Low54.1Low152 Ų152126.9 Ų126.980%0.79670%0.699SS**  trans-137.251.4-176.4-73.2178000113.8D68D68-L70 WeakPolarHBondContact O-CG 3.48Å; D68-L70 PolarHBondContact O-N 2.88Å
71C47.9Very low56.5Low117 Ų117123.9 Ų123.979%0.79168%0.68SS**SBendtrans-149.47.6171.839.80000118.1
72L48.3Very low59Low142 Ų142123.3 Ų123.374%0.74366%0.658SS**SBendtrans-107.1-4.5173.1-85.6121.8000115.5
73G49.8Very low61.6Low38 Ų38123.2 Ų123.239%0.39265%0.651SS.*SBendtrans-87.5-15.9-173.400000116.5Q77G73-Q77 WeakPolarHBondContact O-CG 3.42Å; G73-Q77 PolarHBondContact O-N 2.96Å
74R53.7Low64Low220 Ų220117 Ų11783%0.8362%0.624SS**Hα-helixtrans-74.7-36.7-165.7-135176-175.7-160.3-0.6115.7
75P54.8Low66.3Low89 Ų89113.7 Ų113.758%0.57861%0.606SS**Hα-helixtrans-77.7-33.6177.7-4.718.1000113N78 R79P75-N78 PolarHBondContact O-N 3.39Å; P75-R79 WeakPolarHBondContact O-CG 3.46Å; P75-R79 PolarHBondContact O-N 3.36Å
76L51.9Low68.4Low113 Ų113110.3 Ų110.359%0.59258%0.583SS**Hα-helixtrans-70.2-43.8-177.6-80.7145000111.7N78 R79 D80L76-N78 VanDerWaalsContact C-N 3.27Å; L76-N78 PolarHBondContact O-N 3.13Å; L76-R79 PolarHBondContact O-N 2.93Å; L76-R79 VanDerWaalsContact O-N 3.17Å; L76-D80 PolarHBondContact O-N 3.33Å
77Q60Low70.5Confident143 Ų143107.4 Ų107.467%0.66857%0.566SS**Hα-helixtrans-61.5-35.7175.8-75.6178.6-8.800112.3G73 D80 Q81G73-Q77 WeakPolarHBondContact O-CG 3.42Å; G73-Q77 PolarHBondContact O-N 2.96Å; Q77-D80 PolarHBondContact O-N 3.44Å; Q77-Q81 WeakPolarHBondContact O-CB 3.37Å; Q77-Q81 PolarHBondContact O-N 3.18Å
78N78.9Confident72.8Confident67 Ų67107.4 Ų107.436%0.35856%0.558SS.*Hα-helixtrans-65.4-43175.7-163.2-4.5000111.4P75 L76 D80 Q81 M82P75-N78 PolarHBondContact O-N 3.39Å; L76-N78 VanDerWaalsContact C-N 3.27Å; L76-N78 PolarHBondContact O-N 3.13Å; N78-D80 PolarHBondContact O-N 3.08Å; N78-Q81 PolarHBondContact O-N 2.9Å; N78-M82 VanDerWaalsContact O-CG 3.31Å; N78-M82 WeakPolarHBondContact O-CG 3.29Å; N78-M82 PolarHBondContact O-N 2.83Å
79R87.8Confident75.2Confident159 Ų159103.1 Ų103.160%0.653%0.534SS*.Hα-helixtrans-66.2-38.6177.6-65.8-176.676.4173.97113.1P75 L76 Q81 M82 R83P75-R79 WeakPolarHBondContact O-CG 3.46Å; P75-R79 PolarHBondContact O-N 3.36Å; L76-R79 PolarHBondContact O-N 2.93Å; L76-R79 VanDerWaalsContact O-N 3.17Å; R79-Q81 VanDerWaalsContact C-N 3.33Å; R79-M82 PolarHBondContact O-N 3.19Å; R79-R83 WeakPolarHBondContact O-CB 3.25Å; R79-R83 WeakPolarHBondContact O-CG 3.32Å; R79-R83 PolarHBondContact O-N 2.87Å
80D91.5Very high77.6Confident91 Ų91101.1 Ų101.149%0.48752%0.515SS..Hα-helixtrans-67.7-37.1176.7-71.9-25.9000111.3L76 Q77 N78 R83 A84L76-D80 PolarHBondContact O-N 3.33Å; Q77-D80 PolarHBondContact O-N 3.44Å; N78-D80 PolarHBondContact O-N 3.08Å; D80-R83 WeakPolarHBondContact O-CB 3.47Å; D80-R83 PolarHBondContact O-N 3.11Å; D80-A84 WeakPolarHBondContact O-CB 3.46Å; D80-A84 PolarHBondContact O-N 2.92Å
81Q90.8Very high79.7Confident105 Ų10598.7 Ų98.749%0.49150%0.5SS..Hα-helixtrans-65-47.2172.3-172.559.45800111.9Q77 N78 R79 R83 A84 N85Q77-Q81 WeakPolarHBondContact O-CB 3.37Å; Q77-Q81 PolarHBondContact O-N 3.18Å; N78-Q81 PolarHBondContact O-N 2.9Å; R79-Q81 VanDerWaalsContact C-N 3.33Å; Q81-R83 VanDerWaalsContact C-N 3.27Å; Q81-R83 PolarHBondContact O-N 2.93Å; Q81-A84 WeakPolarHBondContact O-CB 3.41Å; Q81-A84 PolarHBondContact O-N 3.49Å; Q81-A84 VanDerWaalsContact O-N 3.1Å; Q81-N85 PolarHBondContact NE2-OD1 2.61Å; Q81-N85 PolarHBondContact O-N 3.08Å; Q81-N85 PolarHBondContact O-OD1 3.16Å
82M92Very high82.1Confident64 Ų6495 Ų9532%0.31548%0.475SS..Hα-helixtrans-57.4-41175.2-73.1178.2174.900111.9N46 N78 R79 N85 V86N46-M82 HydrophobicContact CB-CG 4.32Å; N46-M82 PolarHBondContact ND2-O 2.86Å; N78-M82 VanDerWaalsContact O-CG 3.31Å; N78-M82 WeakPolarHBondContact O-CG 3.29Å; N78-M82 PolarHBondContact O-N 2.83Å; R79-M82 PolarHBondContact O-N 3.19Å; M82-N85 PolarHBondContact O-N 3.06Å; M82-V86 WeakPolarHBondContact O-CG2 3.47Å; M82-V86 PolarHBondContact O-N 2.95Å; M82-V86 VanDerWaalsContact O-N 3.16Å
83R94.2Very high84.5Confident154 Ų15490.7 Ų90.758%0.58146%0.455SS*.Hα-helixtrans-63.1-45.8173.9-76.3169.5172.2-164.8-3.9111.6R79 D80 Q81 N85 V86 I87R79-R83 WeakPolarHBondContact O-CB 3.25Å; R79-R83 WeakPolarHBondContact O-CG 3.32Å; R79-R83 PolarHBondContact O-N 2.87Å; D80-R83 WeakPolarHBondContact O-CB 3.47Å; D80-R83 PolarHBondContact O-N 3.11Å; Q81-R83 VanDerWaalsContact C-N 3.27Å; Q81-R83 PolarHBondContact O-N 2.93Å; R83-N85 VanDerWaalsContact C-N 3.28Å; R83-N85 PolarHBondContact O-N 2.74Å; R83-V86 PolarHBondContact O-N 2.83Å; R83-I87 WeakPolarHBondContact O-CG1 3.45Å; R83-I87 PolarHBondContact O-N 3.45Å
84A94.4Very high86.8Confident35 Ų3593.5 Ų93.529%0.28946%0.458SS..Hα-helixtrans-60.5-39.2177.200000111.7D80 Q81 I87 N88D80-A84 WeakPolarHBondContact O-CB 3.46Å; D80-A84 PolarHBondContact O-N 2.92Å; Q81-A84 WeakPolarHBondContact O-CB 3.41Å; Q81-A84 PolarHBondContact O-N 3.49Å; Q81-A84 VanDerWaalsContact O-N 3.1Å; A84-I87 PolarHBondContact O-N 3.16Å; A84-N88 WeakPolarHBondContact O-CB 3.31Å; A84-N88 VanDerWaalsContact O-CG 3.26Å; A84-N88 PolarHBondContact O-N 3.02Å; A84-N88 PolarHBondContact O-ND2 3.28Å; A84-N88 VanDerWaalsContact O-ND2 3.17Å
85N94.7Very high88.9Confident51 Ų5189.9 Ų89.927%0.27345%0.445SS..Hα-helixtrans-62-44.8176.9-65.5-10.6000111.6V45 N46 Q81 M82 R83 N88 E89V45-N85 HydrophobicContact CG1-CB 3.92Å; N46-N85 WeakPolarHBondContact OD1-CB 2.91Å; N46-N85 PolarHBondContact OD1-ND2 3.25Å; Q81-N85 PolarHBondContact NE2-OD1 2.61Å; Q81-N85 PolarHBondContact O-N 3.08Å; Q81-N85 PolarHBondContact O-OD1 3.16Å; M82-N85 PolarHBondContact O-N 3.06Å; R83-N85 VanDerWaalsContact C-N 3.28Å; R83-N85 PolarHBondContact O-N 2.74Å; N85-N88 PolarHBondContact O-N 3.32Å; N85-E89 WeakPolarHBondContact O-CB 3.5Å; N85-E89 PolarHBondContact O-N 3.17Å
86V95.8Very high91Very high58 Ų5890.5 Ų90.535%0.35244%0.44SS..Hα-helixtrans-63.1-45175.4174.90000111.1V45 M82 R83 N88 E89 I90V45-V86 HydrophobicContact CB-CG2 4.08Å; V45-V86 HydrophobicContact CG1-CG2 4.13Å; V45-V86 HydrophobicContact CG2-CG2 4.49Å; M82-V86 WeakPolarHBondContact O-CG2 3.47Å; M82-V86 PolarHBondContact O-N 2.95Å; M82-V86 VanDerWaalsContact O-N 3.16Å; R83-V86 PolarHBondContact O-N 2.83Å; V86-N88 VanDerWaalsContact C-N 3.31Å; V86-N88 PolarHBondContact O-N 2.83Å; V86-E89 PolarHBondContact O-N 3.22Å; V86-I90 HydrophobicContact CG1-CD1 3.88Å; V86-I90 HydrophobicContact CG1-CG1 4.47Å; V86-I90 WeakPolarHBondContact O-CG1 3.31Å; V86-I90 PolarHBondContact O-N 2.74Å
87I96.9Very high93.2Very high99 Ų9991.5 Ų91.551%0.50844%0.436SS..Hα-helixtrans-59.1-45.7177.1-68.8166.3000110.4R83 A84 E89 I90 M91R83-I87 WeakPolarHBondContact O-CG1 3.45Å; R83-I87 PolarHBondContact O-N 3.45Å; A84-I87 PolarHBondContact O-N 3.16Å; I87-E89 VanDerWaalsContact C-N 3.34Å; I87-E89 PolarHBondContact O-N 3.42Å; I87-I90 PolarHBondContact O-N 3.05Å; I87-M91 HydrophobicContact CG2-CG 4.23Å; I87-M91 WeakPolarHBondContact O-CB 3.32Å; I87-M91 WeakPolarHBondContact O-CG 3.1Å; I87-M91 PolarHBondContact O-N 3.31Å
88N96.8Very high95.1Very high100 Ų10089.6 Ų89.654%0.53543%0.43SS..Hα-helixtrans-63.3-40.8179.8-76.3-33.1000112.3A84 N85 V86 M91 S92A84-N88 WeakPolarHBondContact O-CB 3.31Å; A84-N88 VanDerWaalsContact O-CG 3.26Å; A84-N88 PolarHBondContact O-N 3.02Å; A84-N88 PolarHBondContact O-ND2 3.28Å; A84-N88 VanDerWaalsContact O-ND2 3.17Å; N85-N88 PolarHBondContact O-N 3.32Å; V86-N88 VanDerWaalsContact C-N 3.31Å; V86-N88 PolarHBondContact O-N 2.83Å; N88-M91 PolarHBondContact O-N 3.49Å; N88-S92 WeakPolarHBondContact O-CB 3.4Å; N88-S92 PolarHBondContact O-N 2.66Å
89E97.4Very high96Very high50 Ų5091.8 Ų91.823%0.23444%0.436CS..Hα-helixtrans-61.9-51.3176-171.9-86155.900110.7R42 V45 N85 V86 I87 M91 S92 T93R42-E89 IonicContact CZ-OE1 2.84Å; R42-E89 IonicContact CZ-OE2 3.85Å; R42-E89 VanDerWaalsContact NH2-CD 3.27Å; R42-E89 IonicContact NH2-OE1 2.76Å; R42-E89 PolarHBondContact NH2-OE1 2.86Å; R42-E89 VanDerWaalsContact NH2-OE1 3.15Å; R42-E89 IonicContact NH2-OE2 3.89Å; R42-E89 PolarHBondContact NH2-OE2 2.87Å; V45-E89 HydrophobicContact CG2-CB 4.16Å; V45-E89 HydrophobicContact CG2-CG 4.01Å; N85-E89 WeakPolarHBondContact O-CB 3.5Å; N85-E89 PolarHBondContact O-N 3.17Å; V86-E89 PolarHBondContact O-N 3.22Å; I87-E89 VanDerWaalsContact C-N 3.34Å; I87-E89 PolarHBondContact O-N 3.42Å; E89-M91 PolarHBondContact O-N 3.37Å; E89-S92 WeakPolarHBondContact O-CB 3.16Å; E89-S92 PolarHBondContact O-N 2.94Å; E89-S92 VanDerWaalsContact O-N 3.09Å; E89-T93 PolarHBondContact O-N 3.28Å; E89-T93 PolarHBondContact O-OG1 3.09Å; E89-T93 WeakPolarHBondContact OE1-CG2 3.15Å
90I98.3Very high96.5Very high77 Ų7789.2 Ų89.240%0.39543%0.431SS..Hα-helixtrans-54.1-52.4176.1-67.9166.7000110.8V86 I87 S92 T93 E94V86-I90 HydrophobicContact CG1-CD1 3.88Å; V86-I90 HydrophobicContact CG1-CG1 4.47Å; V86-I90 WeakPolarHBondContact O-CG1 3.31Å; V86-I90 PolarHBondContact O-N 2.74Å; I87-I90 PolarHBondContact O-N 3.05Å; I90-S92 PolarHBondContact O-N 3.15Å; I90-T93 PolarHBondContact O-N 2.98Å; I90-T93 PolarHBondContact O-OG1 3.37Å; I90-E94 HydrophobicContact CG2-CG 4.38Å; I90-E94 WeakPolarHBondContact O-CB 3.28Å; I90-E94 VanDerWaalsContact O-CG 3.31Å; I90-E94 WeakPolarHBondContact O-CG 3.34Å; I90-E94 PolarHBondContact O-N 3.17Å
91M98.3Very high96.9Very high101 Ų10188.4 Ų88.450%0.49843%0.426SS..Hα-helixtrans-62.9-35.5-177.8-69.2-61.6-66.600111.6I87 N88 E89 R95I87-M91 HydrophobicContact CG2-CG 4.23Å; I87-M91 WeakPolarHBondContact O-CB 3.32Å; I87-M91 WeakPolarHBondContact O-CG 3.1Å; I87-M91 PolarHBondContact O-N 3.31Å; N88-M91 PolarHBondContact O-N 3.49Å; E89-M91 PolarHBondContact O-N 3.37Å; M91-R95 VanDerWaalsContact O-CG 3.31Å; M91-R95 WeakPolarHBondContact O-CG 3.3Å; M91-R95 PolarHBondContact O-N 2.88Å; M91-R95 PolarHBondContact O-NH1 2.92Å
92S97.9Very high97.3Very high38 Ų3888.8 Ų88.827%0.26643%0.426SS..Hα-helixtrans-68-51.6176-1700000111.4N88 E89 I90 E94 R95 H96N88-S92 WeakPolarHBondContact O-CB 3.4Å; N88-S92 PolarHBondContact O-N 2.66Å; E89-S92 WeakPolarHBondContact O-CB 3.16Å; E89-S92 PolarHBondContact O-N 2.94Å; E89-S92 VanDerWaalsContact O-N 3.09Å; I90-S92 PolarHBondContact O-N 3.15Å; S92-E94 VanDerWaalsContact C-N 3.29Å; S92-E94 PolarHBondContact O-N 3.32Å; S92-R95 PolarHBondContact O-N 3.5Å; S92-H96 PolarHBondContact O-N 2.96Å; S92-H96 PolarHBondContact O-ND1 3.39Å; S92-H96 PolarHBondContact OG-CE1 3Å; S92-H96 VanDerWaalsContact OG-CE1 3.31Å; S92-H96 PolarHBondContact OG-ND1 3.31Å
93T98.1Very high97.6Very high53 Ų5388.9 Ų88.933%0.32543%0.428SS..Hα-helixtrans-62.7-37.7-178.653.20000111.8E89 I90 H96 Y97E89-T93 PolarHBondContact O-N 3.28Å; E89-T93 PolarHBondContact O-OG1 3.09Å; E89-T93 WeakPolarHBondContact OE1-CG2 3.15Å; I90-T93 PolarHBondContact O-N 2.98Å; I90-T93 PolarHBondContact O-OG1 3.37Å; T93-H96 PolarHBondContact O-N 2.83Å; T93-Y97 VanDerWaalsContact O-CB 3.32Å; T93-Y97 WeakPolarHBondContact O-CB 3.49Å; T93-Y97 PolarHBondContact O-N 3.16Å
94E98.6Very high97.8Very high97 Ų9786 Ų8645%0.45342%0.423SS..Hα-helixtrans-63.8-42.5175.1-73.9-56126.700112.1I90 S92 H96 Y97 I98I90-E94 HydrophobicContact CG2-CG 4.38Å; I90-E94 WeakPolarHBondContact O-CB 3.28Å; I90-E94 VanDerWaalsContact O-CG 3.31Å; I90-E94 WeakPolarHBondContact O-CG 3.34Å; I90-E94 PolarHBondContact O-N 3.17Å; S92-E94 VanDerWaalsContact C-N 3.29Å; S92-E94 PolarHBondContact O-N 3.32Å; E94-H96 VanDerWaalsContact C-N 3.33Å; E94-H96 PolarHBondContact O-N 3.3Å; E94-Y97 PolarHBondContact O-N 2.76Å; E94-I98 WeakPolarHBondContact O-CB 3.46Å; E94-I98 VanDerWaalsContact O-CG1 3.28Å; E94-I98 WeakPolarHBondContact O-CG1 3.41Å; E94-I98 PolarHBondContact O-N 2.96Å
95R98.7Very high98Very high144 Ų14487.5 Ų87.554%0.54343%0.431SS..Hα-helixtrans-60.2-43.4174.5-75.2-173.8-57.6-93.64.8111.9M91 S92 K99M91-R95 VanDerWaalsContact O-CG 3.31Å; M91-R95 WeakPolarHBondContact O-CG 3.3Å; M91-R95 PolarHBondContact O-N 2.88Å; M91-R95 PolarHBondContact O-NH1 2.92Å; S92-R95 PolarHBondContact O-N 3.5Å; R95-K99 WeakPolarHBondContact O-CB 3.33Å; R95-K99 PolarHBondContact O-N 3.34Å; R95-K99 VanDerWaalsContact O-N 3.08Å
96H98.4Very high98.1Very high102 Ų10290.1 Ų90.147%0.47244%0.441SS..Hα-helixtrans-65.5-44.7177.4-68.8100.2000111.5S92 T93 E94 I98 K99 H100S92-H96 PolarHBondContact O-N 2.96Å; S92-H96 PolarHBondContact O-ND1 3.39Å; S92-H96 PolarHBondContact OG-CE1 3Å; S92-H96 VanDerWaalsContact OG-CE1 3.31Å; S92-H96 PolarHBondContact OG-ND1 3.31Å; T93-H96 PolarHBondContact O-N 2.83Å; E94-H96 VanDerWaalsContact C-N 3.33Å; E94-H96 PolarHBondContact O-N 3.3Å; H96-I98 PolarHBondContact O-N 3.42Å; H96-K99 WeakPolarHBondContact O-CB 3.41Å; H96-K99 PolarHBondContact O-N 2.87Å; H96-H100 PolarHBondContact O-CD2 3.41Å; H96-H100 PolarHBondContact O-N 2.96Å
97Y98.5Very high98.1Very high133 Ų13389.3 Ų89.352%0.52245%0.445SS..Hα-helixtrans-60.5-47.1178.2-177.5-108.3000112T93 E94 K99 H100 L101T93-Y97 VanDerWaalsContact O-CB 3.32Å; T93-Y97 WeakPolarHBondContact O-CB 3.49Å; T93-Y97 PolarHBondContact O-N 3.16Å; E94-Y97 PolarHBondContact O-N 2.76Å; Y97-K99 VanDerWaalsContact C-N 3.29Å; Y97-K99 PolarHBondContact O-N 3.28Å; Y97-H100 WeakPolarHBondContact O-CB 3.31Å; Y97-H100 PolarHBondContact O-N 3.47Å; Y97-H100 VanDerWaalsContact O-N 3.13Å; Y97-L101 HydrophobicContact CD1-CD1 4.02Å; Y97-L101 HydrophobicContact CD1-CG 4.42Å; Y97-L101 HydrophobicContact CE1-CD1 3.47Å; Y97-L101 VanDerWaalsContact CE1-CD1 3.47Å; Y97-L101 HydrophobicContact CE1-CG 4.03Å; Y97-L101 PolarHBondContact O-N 3.29Å
98I98.8Very high98.1Very high104 Ų10492.8 Ų92.853%0.53345%0.453SS..Hα-helixtrans-59.2-41.8175.3-69.8168.5000111E94 H96 L101 K102E94-I98 WeakPolarHBondContact O-CB 3.46Å; E94-I98 VanDerWaalsContact O-CG1 3.28Å; E94-I98 WeakPolarHBondContact O-CG1 3.41Å; E94-I98 PolarHBondContact O-N 2.96Å; H96-I98 PolarHBondContact O-N 3.42Å; I98-L101 PolarHBondContact O-N 3.41Å; I98-K102 WeakPolarHBondContact O-CB 3.43Å; I98-K102 PolarHBondContact O-N 3.27Å
99K98.6Very high98.2Very high113 Ų11391.4 Ų91.449%0.49145%0.445SS..Hα-helixtrans-60.4-46.2175.4-176.3-175.6177.1-64.70111.2R95 H96 Y97 L101 K102 D103R95-K99 WeakPolarHBondContact O-CB 3.33Å; R95-K99 PolarHBondContact O-N 3.34Å; R95-K99 VanDerWaalsContact O-N 3.08Å; H96-K99 WeakPolarHBondContact O-CB 3.41Å; H96-K99 PolarHBondContact O-N 2.87Å; Y97-K99 VanDerWaalsContact C-N 3.29Å; Y97-K99 PolarHBondContact O-N 3.28Å; K99-L101 VanDerWaalsContact C-N 3.34Å; K99-L101 PolarHBondContact O-N 3.27Å; K99-K102 WeakPolarHBondContact O-CB 3.2Å; K99-K102 PolarHBondContact O-N 2.89Å; K99-D103 IonicContact NZ-OD1 3.15Å; K99-D103 IonicContact NZ-OD2 2.66Å; K99-D103 PolarHBondContact NZ-OD2 3.17Å; K99-D103 WeakPolarHBondContact O-CB 3.39Å; K99-D103 PolarHBondContact O-N 3.1Å
100H98.6Very high98.1Very high104 Ų10494.8 Ų94.848%0.48146%0.459SS..Hα-helixtrans-59.3-44.6176.8-65.7-46.5000112H96 Y97 K102 D103 I104H96-H100 PolarHBondContact O-CD2 3.41Å; H96-H100 PolarHBondContact O-N 2.96Å; Y97-H100 WeakPolarHBondContact O-CB 3.31Å; Y97-H100 PolarHBondContact O-N 3.47Å; Y97-H100 VanDerWaalsContact O-N 3.13Å; H100-K102 VanDerWaalsContact C-N 3.32Å; H100-K102 PolarHBondContact O-N 3.06Å; H100-D103 PolarHBondContact O-N 2.92Å; H100-I104 VanDerWaalsContact O-CG1 3.28Å; H100-I104 WeakPolarHBondContact O-CG1 3.4Å; H100-I104 PolarHBondContact O-N 3.33Å
101L98.8Very high98Very high75 Ų7595.5 Ų95.539%0.39346%0.461SS..Hα-helixtrans-60.5-41.7175.7-69.1-177.8000112.3Y97 I98 K99 I104 C105Y97-L101 HydrophobicContact CD1-CD1 4.02Å; Y97-L101 HydrophobicContact CD1-CG 4.42Å; Y97-L101 HydrophobicContact CE1-CD1 3.47Å; Y97-L101 VanDerWaalsContact CE1-CD1 3.47Å; Y97-L101 HydrophobicContact CE1-CG 4.03Å; Y97-L101 PolarHBondContact O-N 3.29Å; I98-L101 PolarHBondContact O-N 3.41Å; K99-L101 VanDerWaalsContact C-N 3.34Å; K99-L101 PolarHBondContact O-N 3.27Å; L101-I104 PolarHBondContact O-N 3.39Å; L101-C105 WeakPolarHBondContact O-CB 3.1Å; L101-C105 PolarHBondContact O-N 2.91Å; L101-C105 PolarHBondContact O-SG 2.86Å
102K98.5Very high98Very high113 Ų11394.8 Ų94.849%0.49147%0.465SS..Hα-helixtrans-63-48.2176.7-174.2-178.9178.1-176.90111.3I98 K99 H100 I104 C105 E106I98-K102 WeakPolarHBondContact O-CB 3.43Å; I98-K102 PolarHBondContact O-N 3.27Å; K99-K102 WeakPolarHBondContact O-CB 3.2Å; K99-K102 PolarHBondContact O-N 2.89Å; H100-K102 VanDerWaalsContact C-N 3.32Å; H100-K102 PolarHBondContact O-N 3.06Å; K102-I104 VanDerWaalsContact C-N 3.27Å; K102-I104 PolarHBondContact O-N 2.89Å; K102-C105 PolarHBondContact O-N 3Å; K102-E106 WeakPolarHBondContact CE-OE1 3.31Å; K102-E106 WeakPolarHBondContact CE-OE2 3.45Å; K102-E106 HydrophobicContact CG-CG 4.24Å; K102-E106 IonicContact NZ-OE1 3.8Å; K102-E106 WeakPolarHBondContact O-CB 3.41Å; K102-E106 WeakPolarHBondContact O-CG 3.5Å; K102-E106 PolarHBondContact O-N 3.46Å
103D98.5Very high97.8Very high66 Ų66102.4 Ų102.435%0.35349%0.488SS..Hα-helixtrans-60-39.3179.4-67.2-16.1000110.8K99 H100 G107K99-D103 IonicContact NZ-OD1 3.15Å; K99-D103 IonicContact NZ-OD2 2.66Å; K99-D103 PolarHBondContact NZ-OD2 3.17Å; K99-D103 WeakPolarHBondContact O-CB 3.39Å; K99-D103 PolarHBondContact O-N 3.1Å; H100-D103 PolarHBondContact O-N 2.92Å; D103-G107 VanDerWaalsContact O-CA 3.3Å; D103-G107 WeakPolarHBondContact O-CA 3.42Å; D103-G107 PolarHBondContact O-N 3.49Å
104I98.6Very high97.4Very high94 Ų94106.6 Ų106.648%0.48250%0.502SS..Hα-helixtrans-65.2-49174.9-68.5166.3000111.3H100 L101 K102 Y108 L109H100-I104 VanDerWaalsContact O-CG1 3.28Å; H100-I104 WeakPolarHBondContact O-CG1 3.4Å; H100-I104 PolarHBondContact O-N 3.33Å; L101-I104 PolarHBondContact O-N 3.39Å; K102-I104 VanDerWaalsContact C-N 3.27Å; K102-I104 PolarHBondContact O-N 2.89Å; I104-Y108 WeakPolarHBondContact O-CB 3.2Å; I104-Y108 PolarHBondContact O-N 3.16Å; I104-L109 PolarHBondContact O-N 2.77Å; I104-L109 VanDerWaalsContact O-N 3.07Å
105C98.3Very high95.9Very high66 Ų66115.1 Ų115.145%0.44653%0.53SS..Iπ-helixtrans-62.8-46.7-178.9-710000112.2L101 K102 L109 K110L101-C105 WeakPolarHBondContact O-CB 3.1Å; L101-C105 PolarHBondContact O-N 2.91Å; L101-C105 PolarHBondContact O-SG 2.86Å; K102-C105 PolarHBondContact O-N 3Å; C105-L109 WeakPolarHBondContact O-CB 3.46Å; C105-L109 PolarHBondContact O-N 3.45Å; C105-K110 WeakPolarHBondContact O-CB 3.21Å; C105-K110 PolarHBondContact O-N 3Å
106E97.1Very high95.8Very high105 Ų105113.7 Ų113.749%0.49153%0.529SS..Iπ-helixtrans-81.4-41.9-174.6-67-177.4174.700112.7K102K102-E106 WeakPolarHBondContact CE-OE1 3.31Å; K102-E106 WeakPolarHBondContact CE-OE2 3.45Å; K102-E106 HydrophobicContact CG-CG 4.24Å; K102-E106 IonicContact NZ-OE1 3.8Å; K102-E106 WeakPolarHBondContact O-CB 3.41Å; K102-E106 WeakPolarHBondContact O-CG 3.5Å; K102-E106 PolarHBondContact O-N 3.46Å
107G96.6Very high95.7Very high42 Ų42114.3 Ų114.343%0.43353%0.532SS..Iπ-helixtrans-79.4-37.2-175.300000113.4D103 Q111D103-G107 VanDerWaalsContact O-CA 3.3Å; D103-G107 WeakPolarHBondContact O-CA 3.42Å; D103-G107 PolarHBondContact O-N 3.49Å; G107-Q111 WeakPolarHBondContact O-CG 3.43Å
108Y97.8Very high95.5Very high171 Ų171113.3 Ų113.367%0.67153%0.532SS*.Iπ-helixtrans-110.4-62-175.4-63.7-91.4000111.5I104 K110 Q111 C112I104-Y108 WeakPolarHBondContact O-CB 3.2Å; I104-Y108 PolarHBondContact O-N 3.16Å; Y108-K110 PolarHBondContact O-N 2.96Å; Y108-Q111 PolarHBondContact O-N 3.48Å; Y108-C112 PolarHBondContact O-N 3.32Å; Y108-C112 PolarHBondContact O-SG 2.94Å; Y108-C112 VanDerWaalsContact O-SG 3.33Å
109L97.3Very high95.3Very high71 Ų71113.8 Ų113.837%0.37253%0.532SS..Iπ-helixtrans-60.9-46.6-169.6-150.8177.1000111.8I104 C105 Q111 C112 R113I104-L109 PolarHBondContact O-N 2.77Å; I104-L109 VanDerWaalsContact O-N 3.07Å; C105-L109 WeakPolarHBondContact O-CB 3.46Å; C105-L109 PolarHBondContact O-N 3.45Å; L109-Q111 VanDerWaalsContact C-N 3.28Å; L109-Q111 PolarHBondContact O-N 3.17Å; L109-C112 PolarHBondContact O-N 3.25Å; L109-R113 HydrophobicContact CD2-CG 3.88Å; L109-R113 WeakPolarHBondContact O-CG 3.4Å; L109-R113 PolarHBondContact O-N 3.28Å
110K96.9Very high95.1Very high122 Ų122113.9 Ų113.953%0.5354%0.535SS..Hα-helixtrans-62.3-34.2177.6-170.5175.3-175.5175.80112.8C105 Y108 K114C105-K110 WeakPolarHBondContact O-CB 3.21Å; C105-K110 PolarHBondContact O-N 3Å; Y108-K110 PolarHBondContact O-N 2.96Å; K110-K114 WeakPolarHBondContact O-CG 3.35Å
111Q96.1Very high94.9Very high91 Ų91114.5 Ų114.543%0.42554%0.538SS..Hα-helixtrans-75.6-40.4178-55.6-55.7-28.900111.2G107 Y108 L109 R113 K114G107-Q111 WeakPolarHBondContact O-CG 3.43Å; Y108-Q111 PolarHBondContact O-N 3.48Å; L109-Q111 VanDerWaalsContact C-N 3.28Å; L109-Q111 PolarHBondContact O-N 3.17Å; Q111-R113 VanDerWaalsContact C-N 3.28Å; Q111-R113 PolarHBondContact O-N 3.19Å; Q111-K114 PolarHBondContact O-N 2.96Å
112C96.6Very high94.6Very high87 Ų87117.4 Ų117.459%0.58855%0.549SS*.Hα-helixtrans-59.1-39174-68.10000112.1Y108 L109 K114 R115Y108-C112 PolarHBondContact O-N 3.32Å; Y108-C112 PolarHBondContact O-SG 2.94Å; Y108-C112 VanDerWaalsContact O-SG 3.33Å; L109-C112 PolarHBondContact O-N 3.25Å; C112-K114 VanDerWaalsContact C-N 3.29Å; C112-K114 PolarHBondContact O-N 3.36Å; C112-R115 PolarHBondContact O-N 3.23Å
113R93.6Very high94.3Very high197 Ų197117.7 Ų117.774%0.74355%0.553SS**THydrogen-bonded Turntrans-71.6-15.9178.3-74.9-179.8177.6170.16.3115.2L109 Q111L109-R113 HydrophobicContact CD2-CG 3.88Å; L109-R113 WeakPolarHBondContact O-CG 3.4Å; L109-R113 PolarHBondContact O-N 3.28Å; Q111-R113 VanDerWaalsContact C-N 3.28Å; Q111-R113 PolarHBondContact O-N 3.19Å
114K90.9Very high94Very high142 Ų142122 Ų12262%0.61757%0.57SS**THydrogen-bonded Turntrans-88.4-10.5178.8-75.8175.3177.5-177.20113.2K110 Q111 C112K110-K114 WeakPolarHBondContact O-CG 3.35Å; Q111-K114 PolarHBondContact O-N 2.96Å; C112-K114 VanDerWaalsContact C-N 3.29Å; C112-K114 PolarHBondContact O-N 3.36Å
115R67.7Low93.5Very high276 Ų276124.5 Ų124.5100%1.04258%0.578SS**  trans-88.50173.9-63.6-178.1178.3-164.7-0.9109C112C112-R115 PolarHBondContact O-N 3.23Å

Retrieved 115 of 115 residues in 69.9 ms (Link to these results)

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