Q99601_HUMAN Loading...

TRGV11 protein

AlphaFold DB , UniProt , Accession Q99601, Species HUMAN (Homo sapiens, Human), Gene TRGV11, Length 119 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
1M49.8Very low57.5Low237 Ų237143.9 Ų143.9100%1.16780%0.799SS**  0112.30-62.7172.979.300107.1
2P45.4Very low57.6Low128 Ų128144.5 Ų144.583%0.83180%0.798SS**  trans-80.4129.417832.1-28.6000109V4P2-V4 PolarHBondContact O-N 3.16Å
3L46.6Very low57.2Low158 Ų158150.2 Ų150.283%0.82780%0.8SS**  trans-74.6120.3175.6-144.497.3000108.1V5L3-V5 PolarHBondContact O-N 3.45Å
4V53.9Low57.2Low137 Ų137148.3 Ų148.383%0.8380%0.796SS**  trans-77.4113.3172.9179.50000107.8P2P2-V4 PolarHBondContact O-N 3.16Å
5V61.3Low56.9Low114 Ų114149.3 Ų149.369%0.69179%0.791SS**  trans-93.8109.5172.2-179.40000108.1L3 V7L3-V5 PolarHBondContact O-N 3.45Å; V5-V7 HydrophobicContact CG1-CG2 3.98Å
6A63.3Low56.9Low84 Ų84144.4 Ų144.469%0.69478%0.779SS**  trans-91.5111.9170.500000109
7V65.1Low56.8Low104 Ų104144.1 Ų144.163%0.6378%0.776SS**  trans-96.9102171.8-175.60000107.8V5 F9V5-V7 HydrophobicContact CG1-CG2 3.98Å; V7-F9 HydrophobicContact CG1-CD2 3.76Å; V7-F9 HydrophobicContact CG1-CE2 3.51Å; V7-F9 HydrophobicContact CG1-CZ 4.31Å; V7-F9 PolarHBondContact O-N 3.02Å
8I68.1Low57Low144 Ų144137.7 Ų137.774%0.73875%0.749SS**  trans-87.1103175.9-58.2176.2000107.7F10I8-F10 HydrophobicContact CG2-CD2 4.2Å; I8-F10 PolarHBondContact O-N 3.26Å
9F57.8Low57.6Low185 Ų185136.6 Ų136.681%0.81174%0.739SS**  trans-78.497.4167.7-84.2-87.3000109V7 S11V7-F9 HydrophobicContact CG1-CD2 3.76Å; V7-F9 HydrophobicContact CG1-CE2 3.51Å; V7-F9 HydrophobicContact CG1-CZ 4.31Å; V7-F9 PolarHBondContact O-N 3.02Å; F9-S11 PolarHBondContact O-N 3.38Å; F9-S11 VanDerWaalsContact O-N 3.1Å
10F59.5Low58.3Low184 Ų184135.2 Ų135.281%0.80773%0.73SS**  trans-77.188.9167.8-130.9-93000108I8 L12I8-F10 HydrophobicContact CG2-CD2 4.2Å; I8-F10 PolarHBondContact O-N 3.26Å; F10-L12 PolarHBondContact O-N 2.95Å; F10-L12 VanDerWaalsContact O-N 3.12Å
11S61.8Low59Low108 Ų108132.1 Ų132.176%0.75571%0.711SS**  trans-72.7103171.855.70000108.7F9 W13F9-S11 PolarHBondContact O-N 3.38Å; F9-S11 VanDerWaalsContact O-N 3.1Å; S11-W13 PolarHBondContact O-N 3.15Å; S11-W13 VanDerWaalsContact O-N 3.15Å
12L58.8Low59.9Low151 Ų151125.2 Ų125.279%0.79168%0.676SS**  trans-60.3114.2166.7-72.6163.3000108.2F10 V14F10-L12 PolarHBondContact O-N 2.95Å; F10-L12 VanDerWaalsContact O-N 3.12Å; L12-V14 PolarHBondContact O-N 3.3Å
13W52.3Low60.9Low219 Ų219123.9 Ų123.983%0.8367%0.667SS**  trans-64.2102.1173.2-124-13.2000108.1S11 F15S11-W13 PolarHBondContact O-N 3.15Å; S11-W13 VanDerWaalsContact O-N 3.15Å; W13-F15 HydrophobicContact CB-CE2 4.12Å; W13-F15 HydrophobicContact CB-CZ 4.43Å; W13-F15 HydrophobicContact CD2-CE1 4.43Å; W13-F15 AromaticContact CD2-CZ 3.98Å; W13-F15 HydrophobicContact CD2-CZ 3.98Å; W13-F15 HydrophobicContact CE3-CE1 4.4Å; W13-F15 HydrophobicContact CE3-CE2 4.26Å; W13-F15 AromaticContact CE3-CZ 3.65Å; W13-F15 HydrophobicContact CE3-CZ 3.65Å; W13-F15 HydrophobicContact CG-CZ 4.35Å; W13-F15 HydrophobicContact CZ3-CZ 4.2Å; W13-F15 PolarHBondContact O-N 2.89Å
14V56.8Low62.2Low123 Ų123120.4 Ų120.475%0.74565%0.647SS**  trans-77.3104.4165.6177.70000106.4L12 A16L12-V14 PolarHBondContact O-N 3.3Å; V14-A16 HydrophobicContact CG1-CB 4.42Å; V14-A16 PolarHBondContact O-N 2.97Å
15F52.8Low63.2Low163 Ų163121.5 Ų121.572%0.71565%0.646SS**  trans-7277.3166.7-68.3-81.2000108.8W13 L17W13-F15 HydrophobicContact CB-CE2 4.12Å; W13-F15 HydrophobicContact CB-CZ 4.43Å; W13-F15 HydrophobicContact CD2-CE1 4.43Å; W13-F15 AromaticContact CD2-CZ 3.98Å; W13-F15 HydrophobicContact CD2-CZ 3.98Å; W13-F15 HydrophobicContact CE3-CE1 4.4Å; W13-F15 HydrophobicContact CE3-CE2 4.26Å; W13-F15 AromaticContact CE3-CZ 3.65Å; W13-F15 HydrophobicContact CE3-CZ 3.65Å; W13-F15 HydrophobicContact CG-CZ 4.35Å; W13-F15 HydrophobicContact CZ3-CZ 4.2Å; W13-F15 PolarHBondContact O-N 2.89Å; F15-L17 PolarHBondContact O-N 2.77Å
16A57.9Low64.2Low72 Ų72120.8 Ų120.860%0.59565%0.646SS**  trans-73.1116.9163.600000107.4V14 G18V14-A16 HydrophobicContact CG1-CB 4.42Å; V14-A16 PolarHBondContact O-N 2.97Å; A16-G18 PolarHBondContact O-N 2.91Å
17L55.3Low65.2Low139 Ų139119.1 Ų119.173%0.72863%0.625SS**SBendtrans-68.824177.5-92.5157.3000113.8F15F15-L17 PolarHBondContact O-N 2.77Å
18G60Low66.3Low29 Ų29119.6 Ų119.630%0.29963%0.633SS.*  trans170.8144.3175.400000112.2A16 S42A16-G18 PolarHBondContact O-N 2.91Å; G18-S42 WeakPolarHBondContact CA-O 3.48Å
19Q68.6Low67.3Low117 Ų117119.6 Ų119.655%0.54762%0.624SS.*EExtended strand (participates in β ladder)trans-115.1128.7173.4179.9170.6-26.500108.8E21 S42Q19-E21 HydrophobicContact CG-CG 4.16Å; Q19-E21 PolarHBondContact NE2-OE1 2.9Å; Q19-S42 PolarHBondContact N-O 3.22Å; Q19-S42 WeakPolarHBondContact O-CB 3.28Å; Q19-S42 PolarHBondContact O-N 3.3Å
20L71.4Confident68.7Low107 Ų107115 Ų11556%0.5661%0.612SS**EExtended strand (participates in β ladder)trans-100.7126.7174.7-61.2-176.3000108.8W39 A41L20-W39 HydrophobicContact CD1-CZ2 4.18Å; L20-W39 HydrophobicContact CD2-CH2 4.15Å; L20-W39 HydrophobicContact CD2-CZ2 3.34Å; L20-W39 HydrophobicContact CG-CZ2 4.33Å; L20-A41 HydrophobicContact CD2-CB 3.62Å
21E72.3Confident70.1Confident71 Ų71109.6 Ų109.633%0.33260%0.602SS.*EExtended strand (participates in β ladder)trans-121.8122.3179.2-65.5-174.8159.100109.6Q19 K40Q19-E21 HydrophobicContact CG-CG 4.16Å; Q19-E21 PolarHBondContact NE2-OE1 2.9Å; E21-K40 HydrophobicContact CB-CB 4.4Å; E21-K40 PolarHBondContact N-O 3.04Å; E21-K40 PolarHBondContact O-N 3.06Å; E21-K40 VanDerWaalsContact O-O 3.09Å; E21-K40 IonicContact OE2-NZ 2.8Å; E21-K40 PolarHBondContact OE2-NZ 2.83Å
22Q68.2Low71.3Confident92 Ų92110 Ų11043%0.4360%0.596SS.*  trans-104.8110.4165.6-170.5171.3-38.700107.9E24Q22-E24 VanDerWaalsContact C-N 3.25Å; Q22-E24 WeakPolarHBondContact CG-O 3.32Å; Q22-E24 PolarHBondContact NE2-O 2.56Å; Q22-E24 PolarHBondContact O-N 3.21Å
23P66.9Low72.9Confident101 Ų101109.1 Ų109.166%0.65659%0.585SS**SBendtrans-68.1-25.5-174.725.8-33.2000112.9S38P23-S38 WeakPolarHBondContact CD-O 3.5Å
24E74.6Confident74.8Confident85 Ų85101.1 Ų101.140%0.39756%0.563SS.*  trans-132.9111.7-178.5-160.7173.9176.500110.1Q22 I27Q22-E24 VanDerWaalsContact C-N 3.25Å; Q22-E24 WeakPolarHBondContact CG-O 3.32Å; Q22-E24 PolarHBondContact NE2-O 2.56Å; Q22-E24 PolarHBondContact O-N 3.21Å; E24-I27 HydrophobicContact CB-CG1 4.24Å; E24-I27 HydrophobicContact CG-CG1 3.76Å; E24-I27 WeakPolarHBondContact OE2-CG1 3.34Å
25I74.3Confident76.4Confident160 Ų16095.6 Ų95.682%0.82153%0.53SS*.SBendtrans-77.5-25.9-174.9-60.5169.9000111.2
26S83.2Confident78.3Confident98 Ų9892.5 Ų92.569%0.68552%0.518SS*.  trans-145.1128.8178.861.40000110.5
27I84.3Confident79.9Confident50 Ų5089.8 Ų89.826%0.25649%0.493SS..  trans-114.9120178.4-67.4155.1000108.3E24 R29 A35 H36 I37E24-I27 HydrophobicContact CB-CG1 4.24Å; E24-I27 HydrophobicContact CG-CG1 3.76Å; E24-I27 WeakPolarHBondContact OE2-CG1 3.34Å; I27-R29 HydrophobicContact CG2-CG 3.92Å; I27-A35 HydrophobicContact CG2-CB 4.07Å; I27-H36 VanDerWaalsContact CD1-O 3.31Å; I27-H36 WeakPolarHBondContact CD1-O 3.47Å; I27-I37 HydrophobicContact CD1-CB 4.14Å; I27-I37 HydrophobicContact CD1-CG1 3.71Å; I27-I37 HydrophobicContact CD1-CG2 4.29Å
28S87.1Confident81.7Confident114 Ų11485.1 Ų85.180%0.79747%0.472SS*.  trans-112.8127172-177.70000110.1
29R89.1Confident83.2Confident144 Ų14484.4 Ų84.454%0.54346%0.46SS..  trans-141.7149.5-179.8-65.5-65.2170.7-168.6-5.8109.9I27 A35 L103I27-R29 HydrophobicContact CG2-CG 3.92Å; R29-A35 HydrophobicContact CG-CB 4.23Å; R29-L103 HydrophobicContact CB-CD1 3.46Å; R29-L103 VanDerWaalsContact CB-CD1 3.46Å; R29-L103 HydrophobicContact CG-CD1 4.28Å
30P87.8Confident84.3Confident87 Ų8782.8 Ų82.857%0.56545%0.451SS*.  trans-59.8150.6175-21.532.4000112.1K33P30-K33 HydrophobicContact CB-CG 4.08Å; P30-K33 HydrophobicContact CG-CG 4.4Å; P30-K33 WeakPolarHBondContact O-CB 2.96Å; P30-K33 PolarHBondContact O-N 3.33Å
31A87.7Confident85Confident71 Ų7177.7 Ų77.759%0.58743%0.425SS*.THydrogen-bonded Turntrans-54.1152.6170.500000111.4K33 L103A31-K33 PolarHBondContact O-N 2.74Å; A31-L103 WeakPolarHBondContact CA-O 3.45Å
32N88.3Confident85.6Confident118 Ų11877.2 Ų77.263%0.63143%0.429SS*.THydrogen-bonded Turntrans62.83-176.7-59-29.4000115.7L103N32-L103 PolarHBondContact N-O 3.49Å
33K92.1Very high86.4Confident131 Ų13173.6 Ų73.657%0.5741%0.412SS*.SBendtrans-93.3171.9169.4-61.4-61.6-176.8-178.50111P30 A31 F102 L103P30-K33 HydrophobicContact CB-CG 4.08Å; P30-K33 HydrophobicContact CG-CG 4.4Å; P30-K33 WeakPolarHBondContact O-CB 2.96Å; P30-K33 PolarHBondContact O-N 3.33Å; A31-K33 PolarHBondContact O-N 2.74Å; K33-F102 PolarHBondContact O-N 3.37Å; K33-L103 WeakPolarHBondContact O-CG 3.41Å; K33-L103 PolarHBondContact O-N 2.84Å
34S91.7Very high87.2Confident52 Ų5277.5 Ų77.536%0.36442%0.422SS..  trans-97142.8173.4-55.80000110.8I100S34-I100 CarbonylContact C-O 3.59Å; S34-I100 WeakPolarHBondContact CA-O 3.38Å; S34-I100 WeakPolarHBondContact CB-O 3.45Å
35A91.8Very high87.8Confident6 Ų675 Ų755%0.0542%0.419CS..EExtended strand (participates in β ladder)trans-109.4154.9166.500000110.8I27 R29 K99 I100 L103I27-A35 HydrophobicContact CG2-CB 4.07Å; R29-A35 HydrophobicContact CG-CB 4.23Å; A35-K99 CarbonylContact O-C 3.56Å; A35-K99 VanDerWaalsContact O-CA 3.29Å; A35-K99 WeakPolarHBondContact O-CA 3.45Å; A35-I100 PolarHBondContact N-O 2.99Å; A35-I100 PolarHBondContact O-N 3.15Å; A35-L103 HydrophobicContact CB-CD1 3.79Å; A35-L103 HydrophobicContact CB-CD2 4.18Å; A35-L103 HydrophobicContact CB-CG 4.37Å
36H92.1Very high88.4Confident99 Ų9967.6 Ų67.646%0.45838%0.381SS..EExtended strand (participates in β ladder)trans-128119.9175.2-65.4-101.5000108.8I27 T97 L98I27-H36 VanDerWaalsContact CD1-O 3.31Å; I27-H36 WeakPolarHBondContact CD1-O 3.47Å; H36-T97 HydrophobicContact CB-CG2 4.18Å; H36-L98 CarbonylContact C-O 3.49Å; H36-L98 WeakPolarHBondContact CA-O 3.33Å
37I92.3Very high88.6Confident15 Ų1566.5 Ų66.58%0.07737%0.373CS..EExtended strand (participates in β ladder)trans-108.9118.5178.3-49.6-178.8000106.9I27 W53 T97 L98 I100 Y111I27-I37 HydrophobicContact CD1-CB 4.14Å; I27-I37 HydrophobicContact CD1-CG1 3.71Å; I27-I37 HydrophobicContact CD1-CG2 4.29Å; I37-W53 HydrophobicContact CB-CH2 4.26Å; I37-W53 HydrophobicContact CB-CZ3 4.33Å; I37-W53 HydrophobicContact CG2-CH2 3.97Å; I37-W53 HydrophobicContact CG2-CZ3 3.95Å; I37-T97 CarbonylContact O-C 3.45Å; I37-T97 VanDerWaalsContact O-CA 3.25Å; I37-T97 WeakPolarHBondContact O-CA 3.31Å; I37-L98 HydrophobicContact CB-CB 4.4Å; I37-L98 HydrophobicContact CD1-CD2 4.43Å; I37-L98 PolarHBondContact N-O 3.43Å; I37-L98 PolarHBondContact O-N 3.18Å; I37-I100 HydrophobicContact CD1-CD1 3.73Å; I37-I100 HydrophobicContact CG1-CD1 4.39Å; I37-Y111 HydrophobicContact CD1-CD1 4.12Å; I37-Y111 HydrophobicContact CD1-CD2 3.27Å; I37-Y111 HydrophobicContact CD1-CE2 3.85Å; I37-Y111 HydrophobicContact CD1-CG 3.42Å; I37-Y111 VanDerWaalsContact CD1-CG 3.42Å
38S91.8Very high88.7Confident40 Ų4067.9 Ų67.928%0.2839%0.387SS..EExtended strand (participates in β ladder)trans-108.2136.6-179.8-63.40000110.8P23 S96 T97P23-S38 WeakPolarHBondContact CD-O 3.5Å; S38-S96 CarbonylContact C-O 3.56Å; S38-S96 WeakPolarHBondContact CA-O 3.28Å; S38-T97 PolarHBondContact OG-OG1 2.84Å
39W91.4Very high88.7Confident14 Ų1464 Ų645%0.05336%0.356CS..EExtended strand (participates in β ladder)trans-122124.9172.4176.280.3000108.9L20 A41 F46 I51 W53 T95 S96 C113 C115L20-W39 HydrophobicContact CD1-CZ2 4.18Å; L20-W39 HydrophobicContact CD2-CH2 4.15Å; L20-W39 HydrophobicContact CD2-CZ2 3.34Å; L20-W39 HydrophobicContact CG-CZ2 4.33Å; W39-A41 HydrophobicContact CD2-CB 4.47Å; W39-A41 HydrophobicContact CE3-CB 4.16Å; W39-A41 HydrophobicContact CH2-CB 3.4Å; W39-A41 VanDerWaalsContact CH2-CB 3.4Å; W39-A41 HydrophobicContact CZ2-CB 3.74Å; W39-A41 HydrophobicContact CZ3-CB 3.62Å; W39-F46 HydrophobicContact CE3-CE2 4.39Å; W39-F46 AromaticContact CZ3-CE2 3.82Å; W39-F46 HydrophobicContact CZ3-CE2 3.82Å; W39-I51 HydrophobicContact CE3-CG2 4.21Å; W39-I51 HydrophobicContact CH2-CD1 4.32Å; W39-I51 HydrophobicContact CZ3-CD1 3.75Å; W39-I51 HydrophobicContact CZ3-CG1 4.38Å; W39-I51 HydrophobicContact CZ3-CG2 4.04Å; W39-W53 HydrophobicContact CB-CH2 4.14Å; W39-W53 HydrophobicContact CB-CZ2 4.22Å; W39-T95 CarbonylContact O-C 3.44Å; W39-T95 VanDerWaalsContact O-CA 3.29Å; W39-T95 WeakPolarHBondContact O-CA 3.38Å; W39-S96 PolarHBondContact N-O 3.22Å; W39-S96 PolarHBondContact O-N 2.86Å; W39-C113 HydrophobicContact CB-CB 3.84Å; W39-C113 HydrophobicContact CD2-CB 3.88Å; W39-C113 HydrophobicContact CE3-CB 4.46Å; W39-C113 HydrophobicContact CG-CB 3.6Å; W39-C113 VanDerWaalsContact CG-SG 3.57Å; W39-C115 HydrophobicContact CH2-CB 4.24Å
40K91.8Very high88.6Confident84 Ų8460.3 Ų60.337%0.36535%0.347SS..EExtended strand (participates in β ladder)trans-113133.2179.4-174.2-175.7173.8-158.90109.2E21 S94E21-K40 HydrophobicContact CB-CB 4.4Å; E21-K40 PolarHBondContact N-O 3.04Å; E21-K40 PolarHBondContact O-N 3.06Å; E21-K40 VanDerWaalsContact O-O 3.09Å; E21-K40 IonicContact OE2-NZ 2.8Å; E21-K40 PolarHBondContact OE2-NZ 2.83Å; K40-S94 WeakPolarHBondContact CA-O 3.43Å
41A86.8Confident88.7Confident0 Ų056.2 Ų56.20%032%0.32CS..EExtended strand (participates in β ladder)trans-127.2120.3179.900000110.5L20 W39 I43 F46 S94L20-A41 HydrophobicContact CD2-CB 3.62Å; W39-A41 HydrophobicContact CD2-CB 4.47Å; W39-A41 HydrophobicContact CE3-CB 4.16Å; W39-A41 HydrophobicContact CH2-CB 3.4Å; W39-A41 VanDerWaalsContact CH2-CB 3.4Å; W39-A41 HydrophobicContact CZ2-CB 3.74Å; W39-A41 HydrophobicContact CZ3-CB 3.62Å; A41-I43 HydrophobicContact CB-CD1 4.04Å; A41-I43 HydrophobicContact CB-CG1 3.96Å; A41-I43 HydrophobicContact CB-CG2 4.26Å; A41-I43 PolarHBondContact O-N 3.42Å; A41-F46 HydrophobicContact CB-CD2 4.08Å; A41-F46 HydrophobicContact CB-CE2 4.09Å; A41-S94 PolarHBondContact N-O 2.94Å; A41-S94 WeakPolarHBondContact O-CB 3.09Å
42S85.5Confident88.7Confident61 Ų6154.2 Ų54.243%0.42730%0.298SS..EExtended strand (participates in β ladder)trans-83.770.5171.4-60.80000109G18 Q19G18-S42 WeakPolarHBondContact CA-O 3.48Å; Q19-S42 PolarHBondContact N-O 3.22Å; Q19-S42 WeakPolarHBondContact O-CB 3.28Å; Q19-S42 PolarHBondContact O-N 3.3Å
43I83.8Confident88.9Confident15 Ų1548.7 Ų48.78%0.07727%0.269CS..  trans-122.1142.7-178.360.2178.4000111.5A41 G45 F46 K49 C115 I117A41-I43 HydrophobicContact CB-CD1 4.04Å; A41-I43 HydrophobicContact CB-CG1 3.96Å; A41-I43 HydrophobicContact CB-CG2 4.26Å; A41-I43 PolarHBondContact O-N 3.42Å; I43-G45 PolarHBondContact O-N 2.94Å; I43-F46 HydrophobicContact CD1-CD2 3.91Å; I43-F46 HydrophobicContact CG1-CB 3.98Å; I43-F46 HydrophobicContact CG1-CD2 3.87Å; I43-F46 HydrophobicContact CG1-CG 4.44Å; I43-F46 PolarHBondContact O-N 2.81Å; I43-K49 HydrophobicContact CD1-CG 3.89Å; I43-C115 WeakPolarHBondContact CD1-SG 3.47Å; I43-I117 HydrophobicContact CG2-CD1 4.14Å
44Q84.1Confident88.8Confident183 Ų18344.8 Ų44.886%0.85525%0.251SS*.THydrogen-bonded Turntrans-67135.5175-166.6178.615.200110.6F46Q44-F46 VanDerWaalsContact C-N 3.34Å; Q44-F46 PolarHBondContact O-N 3.38Å
45G86.3Confident88.8Confident33 Ų3343.3 Ų43.334%0.3424%0.237SC..THydrogen-bonded Turntrans69.727.2178.700000114I43 S47 S48 K49I43-G45 PolarHBondContact O-N 2.94Å; G45-S47 PolarHBondContact O-N 3.34Å; G45-S48 PolarHBondContact O-N 3.06Å; G45-S48 PolarHBondContact O-OG 3.29Å; G45-K49 PolarHBondContact O-N 2.74Å
46F87.9Confident88.8Confident5 Ų546.7 Ų46.72%0.02225%0.252CS..G310 helixtrans-46.3-38.4176.6-179.7-87.8000113.2W39 A41 I43 Q44 S48 K49 I51 K89 N90 S94W39-F46 HydrophobicContact CE3-CE2 4.39Å; W39-F46 AromaticContact CZ3-CE2 3.82Å; W39-F46 HydrophobicContact CZ3-CE2 3.82Å; A41-F46 HydrophobicContact CB-CD2 4.08Å; A41-F46 HydrophobicContact CB-CE2 4.09Å; I43-F46 HydrophobicContact CD1-CD2 3.91Å; I43-F46 HydrophobicContact CG1-CB 3.98Å; I43-F46 HydrophobicContact CG1-CD2 3.87Å; I43-F46 HydrophobicContact CG1-CG 4.44Å; I43-F46 PolarHBondContact O-N 2.81Å; Q44-F46 VanDerWaalsContact C-N 3.34Å; Q44-F46 PolarHBondContact O-N 3.38Å; F46-S48 VanDerWaalsContact C-N 3.25Å; F46-S48 PolarHBondContact O-N 2.88Å; F46-K49 WeakPolarHBondContact O-CB 3.34Å; F46-K49 PolarHBondContact O-N 3.07Å; F46-K49 VanDerWaalsContact O-N 3.07Å; F46-I51 HydrophobicContact CE2-CD1 4.05Å; F46-I51 HydrophobicContact CE2-CG1 4.48Å; F46-I51 HydrophobicContact CZ-CD1 4.37Å; F46-I51 HydrophobicContact CZ-CG1 4.33Å; F46-K89 HydrophobicContact CE1-CD 3.94Å; F46-K89 HydrophobicContact CE1-CG 3.56Å; F46-K89 HydrophobicContact CZ-CD 4.34Å; F46-K89 HydrophobicContact CZ-CG 3.98Å; F46-N90 WeakPolarHBondContact CE1-O 3.4Å; F46-S94 WeakPolarHBondContact CE2-O 3.41Å
47S86.9Confident88.7Confident74 Ų7444.5 Ų44.552%0.51724%0.241SC..G310 helixtrans-55.9-36.3178.357.10000113.4G45 K89G45-S47 PolarHBondContact O-N 3.34Å; S47-K89 PolarHBondContact O-NZ 3.47Å
48S86.3Confident88.7Confident79 Ų7948.3 Ų48.355%0.55227%0.267SS*.G310 helixtrans-90.7-3.3179.9670000113.8G45 F46G45-S48 PolarHBondContact O-N 3.06Å; G45-S48 PolarHBondContact O-OG 3.29Å; F46-S48 VanDerWaalsContact C-N 3.25Å; F46-S48 PolarHBondContact O-N 2.88Å
49K86.8Confident88.7Confident33 Ų3354.9 Ų54.914%0.14330%0.299CS..PPolyproline II helixtrans-80.1137178.2-59.1-55.9-174.3172.20111.6I43 G45 F46 I51 K89 C115 W116I43-K49 HydrophobicContact CD1-CG 3.89Å; G45-K49 PolarHBondContact O-N 2.74Å; F46-K49 WeakPolarHBondContact O-CB 3.34Å; F46-K49 PolarHBondContact O-N 3.07Å; F46-K49 VanDerWaalsContact O-N 3.07Å; K49-I51 HydrophobicContact CB-CD1 3.94Å; K49-K89 PolarHBondContact O-NZ 3Å; K49-C115 HydrophobicContact CB-CB 4.41Å; K49-W116 WeakPolarHBondContact CD-O 3.04Å; K49-W116 PolarHBondContact NZ-O 3.38Å
50I87.6Confident88.7Confident67 Ų6759.8 Ų59.834%0.34432%0.32SS..PPolyproline II helixtrans-78.9125.8161.5-57.8166.5000107.3H52 H67 F69 C115I50-H52 WeakPolarHBondContact CG2-NE2 3.48Å; I50-H67 HydrophobicContact CG2-CB 3.9Å; I50-F69 HydrophobicContact CB-CD2 4.39Å; I50-F69 HydrophobicContact CD1-CD2 4.23Å; I50-F69 HydrophobicContact CG1-CB 4.18Å; I50-F69 HydrophobicContact CG1-CD2 3.3Å; I50-F69 HydrophobicContact CG1-CE2 3.97Å; I50-F69 HydrophobicContact CG1-CG 4.06Å; I50-C115 WeakPolarHBondContact O-CB 3.48Å
51I89.6Confident88.7Confident0 Ų058.4 Ų58.40%033%0.33CS..EExtended strand (participates in β ladder)trans-102.5127.8175.8-50.5-49.8000108.2W39 F46 K49 H67 V68 K89 C113 C115W39-I51 HydrophobicContact CE3-CG2 4.21Å; W39-I51 HydrophobicContact CH2-CD1 4.32Å; W39-I51 HydrophobicContact CZ3-CD1 3.75Å; W39-I51 HydrophobicContact CZ3-CG1 4.38Å; W39-I51 HydrophobicContact CZ3-CG2 4.04Å; F46-I51 HydrophobicContact CE2-CD1 4.05Å; F46-I51 HydrophobicContact CE2-CG1 4.48Å; F46-I51 HydrophobicContact CZ-CD1 4.37Å; F46-I51 HydrophobicContact CZ-CG1 4.33Å; K49-I51 HydrophobicContact CB-CD1 3.94Å; I51-H67 CarbonylContact O-C 3.45Å; I51-H67 WeakPolarHBondContact O-CA 3.24Å; I51-H67 WeakPolarHBondContact O-CB 3.43Å; I51-V68 HydrophobicContact CB-CG1 3.79Å; I51-V68 HydrophobicContact CG1-CG1 4.38Å; I51-V68 PolarHBondContact N-O 2.78Å; I51-V68 PolarHBondContact O-N 3.3Å; I51-K89 HydrophobicContact CG1-CD 3.93Å; I51-C113 WeakPolarHBondContact CG2-SG 3.47Å; I51-C115 HydrophobicContact CD1-CB 3.61Å
52H89.1Confident88.9Confident29 Ų2962.9 Ų62.913%0.13435%0.354CS..EExtended strand (participates in β ladder)trans-109133.9-179.6-60.1-97.7000109.8I50 Y54 Y64 C113 A114 W116I50-H52 WeakPolarHBondContact CG2-NE2 3.48Å; H52-Y54 HydrophobicContact CB-CD2 4.42Å; H52-Y54 HydrophobicContact CB-CE2 3.48Å; H52-Y54 VanDerWaalsContact CB-CE2 3.48Å; H52-Y64 HydrophobicContact CB-CE2 4.48Å; H52-Y64 AromaticContact ND1-CE2 3.92Å; H52-C113 CarbonylContact O-C 3.51Å; H52-C113 WeakPolarHBondContact O-CA 3.34Å; H52-A114 PolarHBondContact N-O 3.49Å; H52-A114 PolarHBondContact O-N 2.97Å; H52-W116 AromaticContact NE2-CD1 3.81Å; H52-W116 AromaticContact NE2-NE1 3.65Å
53W90.9Very high89.1Confident3 Ų363.2 Ų63.21%0.01135%0.348CS..EExtended strand (participates in β ladder)trans-108.1140.6174.6-76.288.9000110.4I37 W39 L65 L66 V87 S96 L98 H112 C113I37-W53 HydrophobicContact CB-CH2 4.26Å; I37-W53 HydrophobicContact CB-CZ3 4.33Å; I37-W53 HydrophobicContact CG2-CH2 3.97Å; I37-W53 HydrophobicContact CG2-CZ3 3.95Å; W39-W53 HydrophobicContact CB-CH2 4.14Å; W39-W53 HydrophobicContact CB-CZ2 4.22Å; W53-L65 HydrophobicContact CB-CB 4.34Å; W53-L65 WeakPolarHBondContact O-CB 3.3Å; W53-L65 PolarHBondContact O-N 2.86Å; W53-L66 PolarHBondContact N-O 2.8Å; W53-L66 PolarHBondContact O-N 2.87Å; W53-V87 HydrophobicContact CG-CG2 4.28Å; W53-S96 PolarHBondContact NE1-OG 2.97Å; W53-L98 HydrophobicContact CD2-CB 3.82Å; W53-L98 HydrophobicContact CD2-CD2 4.14Å; W53-L98 HydrophobicContact CD2-CG 4.49Å; W53-L98 HydrophobicContact CE3-CB 3.81Å; W53-L98 HydrophobicContact CE3-CD2 3.65Å; W53-L98 HydrophobicContact CE3-CG 4.34Å; W53-L98 HydrophobicContact CH2-CB 3.8Å; W53-L98 HydrophobicContact CZ2-CB 3.82Å; W53-L98 HydrophobicContact CZ3-CB 3.8Å; W53-L98 HydrophobicContact CZ3-CD2 4.06Å; W53-H112 WeakPolarHBondContact CA-O 3.04Å; W53-C113 HydrophobicContact CD2-CB 4.28Å; W53-C113 HydrophobicContact CE3-CB 4.19Å; W53-C113 HydrophobicContact CH2-CB 4.18Å; W53-C113 HydrophobicContact CZ2-CB 4.25Å; W53-C113 HydrophobicContact CZ3-CB 4.14Å
54Y90.6Very high89.3Confident49 Ų4967.2 Ų67.219%0.19236%0.363CS..EExtended strand (participates in β ladder)trans-135.9160.6178.9-55.2-97.5000109.1H52 L62 E63 Y64 Y111 H112 A114H52-Y54 HydrophobicContact CB-CD2 4.42Å; H52-Y54 HydrophobicContact CB-CE2 3.48Å; H52-Y54 VanDerWaalsContact CB-CE2 3.48Å; Y54-L62 HydrophobicContact CD1-CD2 3.78Å; Y54-L62 HydrophobicContact CD1-CG 3.87Å; Y54-L62 HydrophobicContact CD2-CD2 4.33Å; Y54-L62 HydrophobicContact CE1-CD2 4.32Å; Y54-L62 HydrophobicContact CG-CD1 4.28Å; Y54-L62 HydrophobicContact CG-CD2 3.81Å; Y54-L62 HydrophobicContact CG-CG 3.92Å; Y54-E63 VanDerWaalsContact CA-O 3.24Å; Y54-E63 WeakPolarHBondContact CA-O 3.4Å; Y54-E63 WeakPolarHBondContact CB-O 3.45Å; Y54-Y64 HydrophobicContact CD1-CD2 4.17Å; Y54-Y64 AromaticContact CE1-CD2 3.69Å; Y54-Y64 HydrophobicContact CE1-CD2 3.69Å; Y54-Y64 HydrophobicContact CE1-CG 4.42Å; Y54-Y111 WeakPolarHBondContact O-CA 3.37Å; Y54-H112 PolarHBondContact N-O 3.35Å; Y54-H112 PolarHBondContact O-N 3.05Å; Y54-A114 HydrophobicContact CE2-CB 4.08Å
55W90.8Very high89.4Confident20 Ų2059.2 Ų59.28%0.07633%0.326CS..EExtended strand (participates in β ladder)trans-125157.1165.461.3-0.7000110.5E63 L65 K81 V109 V110 Y111W55-E63 VanDerWaalsContact CD1-O 3.3Å; W55-E63 PolarHBondContact N-O 2.81Å; W55-E63 PolarHBondContact NE1-OE2 3.21Å; W55-E63 PolarHBondContact O-N 2.9Å; W55-L65 HydrophobicContact CB-CD1 4.01Å; W55-L65 HydrophobicContact CB-CD2 4.41Å; W55-L65 HydrophobicContact CB-CG 4.22Å; W55-L65 HydrophobicContact CD2-CD2 3.5Å; W55-L65 HydrophobicContact CD2-CG 4.27Å; W55-L65 HydrophobicContact CE3-CD2 3.88Å; W55-L65 HydrophobicContact CG-CD1 4.22Å; W55-L65 HydrophobicContact CG-CD2 3.72Å; W55-L65 HydrophobicContact CG-CG 3.95Å; W55-L65 HydrophobicContact CZ2-CD2 4.25Å; W55-L65 HydrophobicContact CZ3-CD2 4.37Å; W55-K81 HydrophobicContact CH2-CD 4.26Å; W55-K81 HydrophobicContact CZ2-CD 4.39Å; W55-V109 HydrophobicContact CB-CG2 3.83Å; W55-V109 HydrophobicContact CE3-CG2 4.23Å; W55-V110 CarbonylContact C-O 3.6Å; W55-V110 VanDerWaalsContact CA-O 3.28Å; W55-V110 WeakPolarHBondContact CA-O 3.1Å; W55-Y111 HydrophobicContact CB-CD1 4.14Å; W55-Y111 HydrophobicContact CB-CE1 4.16Å
56Q92Very high89.4Confident77 Ų7757.9 Ų57.936%0.3631%0.311SS..EExtended strand (participates in β ladder)trans-134.6110175.5-171.9178.9-12.100108.7K60 L62 V109 V110 H112Q56-K60 WeakPolarHBondContact CG-O 3.41Å; Q56-K60 PolarHBondContact NE2-O 2.73Å; Q56-L62 HydrophobicContact CB-CD1 4.19Å; Q56-V109 WeakPolarHBondContact O-CB 3.3Å; Q56-V110 HydrophobicContact CB-CB 4.48Å; Q56-V110 PolarHBondContact N-O 2.9Å; Q56-V110 PolarHBondContact O-N 2.93Å; Q56-V110 VanDerWaalsContact O-N 3.15Å; Q56-H112 PolarHBondContact OE1-NE2 2.78Å
57K90.6Very high89.3Confident53 Ų5361.3 Ų61.323%0.2333%0.327CS..  trans-73.9152.7172.4-76.3178.5-179.8-164.50110.2N59 K60 V109K57-N59 PolarHBondContact O-N 2.82Å; K57-K60 HydrophobicContact CB-CB 4.01Å; K57-K60 HydrophobicContact CB-CD 3.95Å; K57-K60 HydrophobicContact CB-CG 4.02Å; K57-K60 HydrophobicContact CD-CD 4.28Å; K57-K60 PolarHBondContact O-N 2.98Å; K57-V109 HydrophobicContact CB-CG1 4.38Å; K57-V109 HydrophobicContact CG-CG1 3.53Å
58P91.4Very high89.2Confident96 Ų9657.9 Ų57.962%0.62330%0.303SS*.THydrogen-bonded Turntrans-51.3129.9173.5-25.633.9000110.9K60P58-K60 PolarHBondContact O-N 3.03Å; P58-K60 VanDerWaalsContact O-N 3.16Å
59N91.8Very high88.7Confident177 Ų17759.2 Ų59.295%0.94730%0.299SS*.THydrogen-bonded Turntrans60.319.3179.8-48.8-44000115.3K57K57-N59 PolarHBondContact O-N 2.82Å
60K91.9Very high87.7Confident117 Ų11762.1 Ų62.151%0.50932%0.316SS..SBendtrans-116.9160.7173.1-61.8-161.6177.9-171.40111.3Q56 K57 P58Q56-K60 WeakPolarHBondContact CG-O 3.41Å; Q56-K60 PolarHBondContact NE2-O 2.73Å; K57-K60 HydrophobicContact CB-CB 4.01Å; K57-K60 HydrophobicContact CB-CD 3.95Å; K57-K60 HydrophobicContact CB-CG 4.02Å; K57-K60 HydrophobicContact CD-CD 4.28Å; K57-K60 PolarHBondContact O-N 2.98Å; P58-K60 PolarHBondContact O-N 3.03Å; P58-K60 VanDerWaalsContact O-N 3.16Å
61G91.3Very high86.3Confident55 Ų5564 Ų6457%0.56733%0.33SS*.  trans-67.9169.1170.900000112.3E63G61-E63 PolarHBondContact O-N 2.88Å
62L91.9Very high84.5Confident95 Ų9569.3 Ų69.350%0.49736%0.358SS..EExtended strand (participates in β ladder)trans-66.1123.6173-165.571000109.6Y54 Q56 H112Y54-L62 HydrophobicContact CD1-CD2 3.78Å; Y54-L62 HydrophobicContact CD1-CG 3.87Å; Y54-L62 HydrophobicContact CD2-CD2 4.33Å; Y54-L62 HydrophobicContact CE1-CD2 4.32Å; Y54-L62 HydrophobicContact CG-CD1 4.28Å; Y54-L62 HydrophobicContact CG-CD2 3.81Å; Y54-L62 HydrophobicContact CG-CG 3.92Å; Q56-L62 HydrophobicContact CB-CD1 4.19Å; L62-H112 HydrophobicContact CD1-CB 4.15Å; L62-H112 WeakPolarHBondContact CD1-CD2 3.38Å
63E90.4Very high82.8Confident67 Ų6772 Ų7231%0.31338%0.38SS..EExtended strand (participates in β ladder)trans-110.8135.8179-80.3177.6-143.600109.4Y54 W55 G61Y54-E63 VanDerWaalsContact CA-O 3.24Å; Y54-E63 WeakPolarHBondContact CA-O 3.4Å; Y54-E63 WeakPolarHBondContact CB-O 3.45Å; W55-E63 VanDerWaalsContact CD1-O 3.3Å; W55-E63 PolarHBondContact N-O 2.81Å; W55-E63 PolarHBondContact NE1-OE2 3.21Å; W55-E63 PolarHBondContact O-N 2.9Å; G61-E63 PolarHBondContact O-N 2.88Å
64Y88.1Confident81Confident99 Ų9973.1 Ų73.139%0.38839%0.39SS..EExtended strand (participates in β ladder)trans-73.5133.3179.8177.3-103.7000111.4H52 Y54 L66 H67H52-Y64 HydrophobicContact CB-CE2 4.48Å; H52-Y64 AromaticContact ND1-CE2 3.92Å; Y54-Y64 HydrophobicContact CD1-CD2 4.17Å; Y54-Y64 AromaticContact CE1-CD2 3.69Å; Y54-Y64 HydrophobicContact CE1-CD2 3.69Å; Y54-Y64 HydrophobicContact CE1-CG 4.42Å; Y64-L66 WeakPolarHBondContact OH-CA 3.4Å; Y64-H67 VanDerWaalsContact OH-CB 3.3Å; Y64-H67 WeakPolarHBondContact OH-CB 3.38Å; Y64-H67 VanDerWaalsContact OH-CG 3.32Å; Y64-H67 PolarHBondContact OH-N 3.36Å; Y64-H67 PolarHBondContact OH-ND1 3.1Å
65L85.7Confident79.1Confident15 Ų1579.2 Ų79.28%0.07942%0.42CS..EExtended strand (participates in β ladder)trans-98.2-67.5174.4-71.6176.2000111.1W53 W55 L85 L98 Y111W53-L65 HydrophobicContact CB-CB 4.34Å; W53-L65 WeakPolarHBondContact O-CB 3.3Å; W53-L65 PolarHBondContact O-N 2.86Å; W55-L65 HydrophobicContact CB-CD1 4.01Å; W55-L65 HydrophobicContact CB-CD2 4.41Å; W55-L65 HydrophobicContact CB-CG 4.22Å; W55-L65 HydrophobicContact CD2-CD2 3.5Å; W55-L65 HydrophobicContact CD2-CG 4.27Å; W55-L65 HydrophobicContact CE3-CD2 3.88Å; W55-L65 HydrophobicContact CG-CD1 4.22Å; W55-L65 HydrophobicContact CG-CD2 3.72Å; W55-L65 HydrophobicContact CG-CG 3.95Å; W55-L65 HydrophobicContact CZ2-CD2 4.25Å; W55-L65 HydrophobicContact CZ3-CD2 4.37Å; L65-L85 HydrophobicContact CD1-CD1 4.39Å; L65-L85 HydrophobicContact CD2-CD1 3.83Å; L65-L98 HydrophobicContact CD1-CD2 4.13Å; L65-Y111 HydrophobicContact CD1-CD1 3.82Å; L65-Y111 HydrophobicContact CD1-CE1 3.94Å
66L85.9Confident77.3Confident5 Ų579.8 Ų79.83%0.02642%0.424CS..EExtended strand (participates in β ladder)trans-170.2172.6-17566.392.8000110.5W53 Y64 A74 D76 L85 V87W53-L66 PolarHBondContact N-O 2.8Å; W53-L66 PolarHBondContact O-N 2.87Å; Y64-L66 WeakPolarHBondContact OH-CA 3.4Å; L66-A74 HydrophobicContact CD1-CB 4.13Å; L66-D76 HydrophobicContact CB-CB 3.8Å; L66-L85 HydrophobicContact CD2-CB 4.1Å; L66-V87 HydrophobicContact CD1-CB 3.55Å; L66-V87 HydrophobicContact CD1-CG1 4.23Å; L66-V87 HydrophobicContact CD1-CG2 3.26Å; L66-V87 HydrophobicContact CD2-CG2 3.98Å; L66-V87 HydrophobicContact CG-CG2 3.96Å
67H85.8Confident75Confident78 Ų7882.2 Ų82.236%0.36145%0.448SS..EExtended strand (participates in β ladder)trans-134154.6176.969-72000111.5I50 I51 Y64 A74I50-H67 HydrophobicContact CG2-CB 3.9Å; I51-H67 CarbonylContact O-C 3.45Å; I51-H67 WeakPolarHBondContact O-CA 3.24Å; I51-H67 WeakPolarHBondContact O-CB 3.43Å; Y64-H67 VanDerWaalsContact OH-CB 3.3Å; Y64-H67 WeakPolarHBondContact OH-CB 3.38Å; Y64-H67 VanDerWaalsContact OH-CG 3.32Å; Y64-H67 PolarHBondContact OH-N 3.36Å; Y64-H67 PolarHBondContact OH-ND1 3.1Å; H67-A74 WeakPolarHBondContact O-CB 3.45Å
68V84.5Confident72.8Confident1 Ų183.1 Ų83.11%0.00646%0.462CS..EExtended strand (participates in β ladder)trans-126.2124.2176.261.10000110.4I51 L70 A74 V87 K89I51-V68 HydrophobicContact CB-CG1 3.79Å; I51-V68 HydrophobicContact CG1-CG1 4.38Å; I51-V68 PolarHBondContact N-O 2.78Å; I51-V68 PolarHBondContact O-N 3.3Å; V68-L70 WeakPolarHBondContact CG2-O 3.03Å; V68-A74 HydrophobicContact CB-CB 4.38Å; V68-V87 HydrophobicContact CB-CG1 3.75Å; V68-V87 HydrophobicContact CG1-CG1 3.46Å; V68-V87 VanDerWaalsContact CG1-CG1 3.46Å; V68-V87 HydrophobicContact CG2-CG1 4.42Å; V68-K89 HydrophobicContact CG1-CB 4.12Å; V68-K89 HydrophobicContact CG1-CD 4.48Å; V68-K89 HydrophobicContact CG2-CB 3.89Å
69F75.1Confident70.6Confident107 Ų10782.3 Ų82.347%0.46947%0.471SS..  trans-103-41.8178.1-179-122000113.5I50 K89I50-F69 HydrophobicContact CB-CD2 4.39Å; I50-F69 HydrophobicContact CD1-CD2 4.23Å; I50-F69 HydrophobicContact CG1-CB 4.18Å; I50-F69 HydrophobicContact CG1-CD2 3.3Å; I50-F69 HydrophobicContact CG1-CE2 3.97Å; I50-F69 HydrophobicContact CG1-CG 4.06Å; F69-K89 WeakPolarHBondContact O-CE 3.37Å; F69-K89 PolarHBondContact O-NZ 2.61Å
70L67Low68.4Low95 Ų9577 Ų7750%0.49746%0.458SS..SBendtrans-109.2174.9177.2-68.8172.5000110.9V68 I72V68-L70 WeakPolarHBondContact CG2-O 3.03Å; L70-I72 HydrophobicContact CB-CB 4.46Å; L70-I72 HydrophobicContact CB-CD1 4.31Å; L70-I72 HydrophobicContact CB-CG1 4.27Å; L70-I72 HydrophobicContact CD1-CD1 4.29Å; L70-I72 PolarHBondContact O-N 3.4Å
71T57.4Low66.6Low106 Ų10677.5 Ų77.565%0.6546%0.46SS*.SBendtrans-62.323.1167.319.70000113.4K89T71-K89 WeakPolarHBondContact CG2-O 2.91Å
72I52.9Low64.9Low112 Ų11276.7 Ų76.757%0.57444%0.444SS*.SBendtrans-114137.1-176.5-60.2171.2000107.3L70 A74L70-I72 HydrophobicContact CB-CB 4.46Å; L70-I72 HydrophobicContact CB-CD1 4.31Å; L70-I72 HydrophobicContact CB-CG1 4.27Å; L70-I72 HydrophobicContact CD1-CD1 4.29Å; L70-I72 PolarHBondContact O-N 3.4Å; I72-A74 PolarHBondContact O-N 2.84Å; I72-A74 VanDerWaalsContact O-N 3.1Å
73S53.5Low63.7Low85 Ų8581.2 Ų81.259%0.59446%0.46SS*.  trans-55.5115.3174.5550000110.1Q75 V87S73-Q75 PolarHBondContact O-N 3.46Å; S73-V87 VanDerWaalsContact CA-O 3.31Å; S73-V87 WeakPolarHBondContact CA-O 3.44Å
74A52.1Low63.5Low27 Ų2779.7 Ų79.722%0.22345%0.452CS..PPolyproline II helixtrans-71.5123.317200000109.3L66 H67 V68 I72L66-A74 HydrophobicContact CD1-CB 4.13Å; H67-A74 WeakPolarHBondContact O-CB 3.45Å; V68-A74 HydrophobicContact CB-CB 4.38Å; I72-A74 PolarHBondContact O-N 2.84Å; I72-A74 VanDerWaalsContact O-N 3.1Å
75Q50.8Low63.4Low177 Ų17776 Ų7683%0.82744%0.439SS*.PPolyproline II helixtrans-103.7116.4171.9-154.7169.513.400106.5S73S73-Q75 PolarHBondContact O-N 3.46Å
76D52.2Low63.4Low31 Ų3178.7 Ų78.717%0.16645%0.451CS..PPolyproline II helixtrans-86.7154.7-164.5176.553.7000114.9L66 S78 T82L66-D76 HydrophobicContact CB-CB 3.8Å; D76-S78 WeakPolarHBondContact OD2-CB 2.95Å; D76-S78 PolarHBondContact OD2-N 2.87Å; D76-T82 HydrophobicContact CB-CG2 3.72Å
77C45.5Very low63.5Low128 Ų12878.5 Ų78.587%0.86545%0.45SS*.  trans-85.34.4-177.3-58.80000114.5G79C77-G79 PolarHBondContact O-N 2.97Å
78S44.3Very low63.6Low73 Ų7377.8 Ų77.851%0.5145%0.454SS..SBendtrans-94.240.2-173.1-171.30000116.1D76 G80D76-S78 WeakPolarHBondContact OD2-CB 2.95Å; D76-S78 PolarHBondContact OD2-N 2.87Å; S78-G80 PolarHBondContact O-N 2.84Å
79G43.8Very low63.9Low79 Ų7978.2 Ų78.281%0.81446%0.455SS*.THydrogen-bonded Turntrans58.255.4158.900000116.9C77C77-G79 PolarHBondContact O-N 2.97Å
80G46.8Very low64.6Low66 Ų6676.2 Ų76.268%0.6845%0.45SS*.THydrogen-bonded Turntrans114.4-18.9156.500000117.9S78 T82S78-G80 PolarHBondContact O-N 2.84Å; G80-T82 PolarHBondContact O-N 3.34Å
81K52.8Low65.6Low127 Ų12773.6 Ų73.655%0.55244%0.442SS*.G310 helixtrans-74.71.6176.9-67.8-179.9-179.1171.60114.3W55W55-K81 HydrophobicContact CH2-CD 4.26Å; W55-K81 HydrophobicContact CZ2-CD 4.39Å
82T56.7Low67.1Low37 Ų3777.2 Ų77.223%0.22745%0.451CS..G310 helixtrans-100.4-11.1-155.856.10000115.9D76 G80 K84D76-T82 HydrophobicContact CB-CG2 3.72Å; G80-T82 PolarHBondContact O-N 3.34Å; T82-K84 PolarHBondContact O-N 2.94Å
83K67.1Low68.9Low191 Ų19175.1 Ų75.183%0.8344%0.443SS*.G310 helixtrans-68.1-21.1172.6-73.1-173.4179-179.80113
84K84.8Confident70.6Confident35 Ų3572.4 Ų72.415%0.15243%0.425CS..SBendtrans-86.2-31.7-175.3-164.1178.3-175.41790112.7T82 I100 K101 F102 E104 D107T82-K84 PolarHBondContact O-N 2.94Å; K84-I100 HydrophobicContact CG-CG2 4.37Å; K84-K101 WeakPolarHBondContact CE-O 3.48Å; K84-K101 HydrophobicContact CG-CB 4.4Å; K84-K101 WeakPolarHBondContact CG-O 3.44Å; K84-K101 WeakPolarHBondContact O-CB 3.46Å; K84-K101 PolarHBondContact O-N 2.81Å; K84-F102 WeakPolarHBondContact CE-O 3.48Å; K84-F102 PolarHBondContact NZ-O 2.82Å; K84-E104 IonicContact NZ-OE2 2.56Å; K84-E104 PolarHBondContact NZ-OE2 3.2Å; K84-D107 WeakPolarHBondContact CE-OD2 3.49Å; K84-D107 IonicContact NZ-OD1 3.75Å; K84-D107 PolarHBondContact NZ-OD1 2.78Å; K84-D107 IonicContact NZ-OD2 2.9Å; K84-D107 PolarHBondContact NZ-OD2 2.8Å
85L86.2Confident72.5Confident22 Ų2272.2 Ų72.212%0.11542%0.42CS..EExtended strand (participates in β ladder)trans-104.6131.8-173.4-56.9179.8000110.9L65 L66 L98 K99 I100L65-L85 HydrophobicContact CD1-CD1 4.39Å; L65-L85 HydrophobicContact CD2-CD1 3.83Å; L66-L85 HydrophobicContact CD2-CB 4.1Å; L85-L98 HydrophobicContact CB-CD1 4.31Å; L85-L98 HydrophobicContact CD2-CD1 4.36Å; L85-K99 CarbonylContact C-O 3.57Å; L85-K99 WeakPolarHBondContact CA-O 3.42Å; L85-I100 HydrophobicContact CD2-CB 4.08Å; L85-I100 HydrophobicContact CD2-CG1 3.66Å; L85-I100 HydrophobicContact CD2-CG2 3.9Å
86E86.8Confident74.5Confident70 Ų7063.8 Ų63.833%0.32738%0.381SS..EExtended strand (participates in β ladder)trans-129.4131.3172.2-60.6178.7153.300108.5K99 K101E86-K99 HydrophobicContact CB-CB 4.26Å; E86-K99 PolarHBondContact N-O 2.85Å; E86-K99 PolarHBondContact O-N 3.24Å; E86-K99 VanDerWaalsContact OE2-CD 3.27Å; E86-K99 WeakPolarHBondContact OE2-CD 3.19Å; E86-K99 WeakPolarHBondContact OE2-CE 3.36Å; E86-K99 IonicContact OE2-NZ 2.61Å; E86-K99 PolarHBondContact OE2-NZ 3.07Å; E86-K101 VanDerWaalsContact CD-NZ 3.31Å; E86-K101 WeakPolarHBondContact OE1-CE 3.4Å; E86-K101 IonicContact OE1-NZ 2.74Å; E86-K101 PolarHBondContact OE1-NZ 2.89Å; E86-K101 VanDerWaalsContact OE2-CE 3.28Å; E86-K101 WeakPolarHBondContact OE2-CE 3.31Å; E86-K101 IonicContact OE2-NZ 3.49Å
87V87.5Confident76.4Confident2 Ų263.6 Ų63.61%0.01238%0.381CS..EExtended strand (participates in β ladder)trans-115.5138.1174.1172.20000110.6W53 L66 V68 S73 T97 L98W53-V87 HydrophobicContact CG-CG2 4.28Å; L66-V87 HydrophobicContact CD1-CB 3.55Å; L66-V87 HydrophobicContact CD1-CG1 4.23Å; L66-V87 HydrophobicContact CD1-CG2 3.26Å; L66-V87 HydrophobicContact CD2-CG2 3.98Å; L66-V87 HydrophobicContact CG-CG2 3.96Å; V68-V87 HydrophobicContact CB-CG1 3.75Å; V68-V87 HydrophobicContact CG1-CG1 3.46Å; V68-V87 VanDerWaalsContact CG1-CG1 3.46Å; V68-V87 HydrophobicContact CG2-CG1 4.42Å; S73-V87 VanDerWaalsContact CA-O 3.31Å; S73-V87 WeakPolarHBondContact CA-O 3.44Å; V87-T97 CarbonylContact C-O 3.58Å; V87-T97 VanDerWaalsContact CA-O 3.3Å; V87-T97 WeakPolarHBondContact CA-O 3.09Å; V87-L98 HydrophobicContact CG2-CB 4.13Å; V87-L98 HydrophobicContact CG2-CD1 3.36Å; V87-L98 HydrophobicContact CG2-CG 4.35Å
88S88.3Confident78.5Confident62 Ų6257.5 Ų57.543%0.43434%0.34SS..EExtended strand (participates in β ladder)trans-120.8158.717067.40000111.3S96 T97S88-S96 CarbonylContact O-C 3.56Å; S88-S96 VanDerWaalsContact O-CA 3.27Å; S88-S96 WeakPolarHBondContact O-CA 3.27Å; S88-S96 PolarHBondContact O-OG 3.42Å; S88-T97 PolarHBondContact N-O 3.1Å; S88-T97 PolarHBondContact O-N 3.12Å
89K89.8Confident80.8Confident10 Ų1056.8 Ų56.84%0.04333%0.328CS..EExtended strand (participates in β ladder)trans-132129.5175.2-169.917483.71660108.7F46 S47 K49 I51 V68 F69 T71 T95F46-K89 HydrophobicContact CE1-CD 3.94Å; F46-K89 HydrophobicContact CE1-CG 3.56Å; F46-K89 HydrophobicContact CZ-CD 4.34Å; F46-K89 HydrophobicContact CZ-CG 3.98Å; S47-K89 PolarHBondContact O-NZ 3.47Å; K49-K89 PolarHBondContact O-NZ 3Å; I51-K89 HydrophobicContact CG1-CD 3.93Å; V68-K89 HydrophobicContact CG1-CB 4.12Å; V68-K89 HydrophobicContact CG1-CD 4.48Å; V68-K89 HydrophobicContact CG2-CB 3.89Å; F69-K89 WeakPolarHBondContact O-CE 3.37Å; F69-K89 PolarHBondContact O-NZ 2.61Å; T71-K89 WeakPolarHBondContact CG2-O 2.91Å; K89-T95 CarbonylContact C-O 3.58Å; K89-T95 WeakPolarHBondContact CA-O 2.85Å
90N90.2Very high83Confident66 Ų6653.1 Ų53.135%0.35329%0.289SS..EExtended strand (participates in β ladder)trans-116.5111.1174.9-174.7-14.2000109.4F46 H92 T93 S94 T95F46-N90 WeakPolarHBondContact CE1-O 3.4Å; N90-H92 WeakPolarHBondContact OD1-CB 3.14Å; N90-H92 PolarHBondContact OD1-N 3.24Å; N90-T93 WeakPolarHBondContact CB-OG1 3.42Å; N90-T93 VanDerWaalsContact CG-OG1 3.32Å; N90-T93 PolarHBondContact ND2-OG1 2.92Å; N90-S94 WeakPolarHBondContact O-CA 3.44Å; N90-S94 PolarHBondContact O-N 3.03Å; N90-S94 VanDerWaalsContact O-N 3.08Å; N90-T95 PolarHBondContact N-O 2.64Å; N90-T95 PolarHBondContact O-N 2.76Å
91A88.3Confident85.1Confident39 Ų3952.3 Ų52.332%0.32227%0.267SS..THydrogen-bonded Turntrans-70.3-30.1-179.300000113.3
92H88.3Confident86.8Confident182 Ų18252.4 Ų52.484%0.84327%0.268SS*.THydrogen-bonded Turntrans-69.7-40.2-178.3-6590.4000111.7N90N90-H92 WeakPolarHBondContact OD1-CB 3.14Å; N90-H92 PolarHBondContact OD1-N 3.24Å
93T90.1Very high88.5Confident68 Ų6851.8 Ų51.842%0.41726%0.263SS..THydrogen-bonded Turntrans-97.11.4-179.764.10000112.9N90 T95N90-T93 WeakPolarHBondContact CB-OG1 3.42Å; N90-T93 VanDerWaalsContact CG-OG1 3.32Å; N90-T93 PolarHBondContact ND2-OG1 2.92Å; T93-T95 VanDerWaalsContact C-N 3.25Å; T93-T95 WeakPolarHBondContact CB-OG1 3.41Å; T93-T95 PolarHBondContact O-N 2.88Å; T93-T95 PolarHBondContact O-OG1 2.8Å; T93-T95 WeakPolarHBondContact OG1-CB 3.29Å; T93-T95 PolarHBondContact OG1-OG1 2.81Å
94S90.7Very high89.6Confident29 Ų2947.8 Ų47.820%0.20325%0.247CC..THydrogen-bonded Turntrans46.748.8-172.3-57.30000112.8K40 A41 F46 N90K40-S94 WeakPolarHBondContact CA-O 3.43Å; A41-S94 PolarHBondContact N-O 2.94Å; A41-S94 WeakPolarHBondContact O-CB 3.09Å; F46-S94 WeakPolarHBondContact CE2-O 3.41Å; N90-S94 WeakPolarHBondContact O-CA 3.44Å; N90-S94 PolarHBondContact O-N 3.03Å; N90-S94 VanDerWaalsContact O-N 3.08Å
95T91.8Very high89.8Confident22 Ų2254.1 Ų54.114%0.13528%0.275CS..EExtended strand (participates in β ladder)trans-121139-173.3-480000110.8W39 K89 N90 T93W39-T95 CarbonylContact O-C 3.44Å; W39-T95 VanDerWaalsContact O-CA 3.29Å; W39-T95 WeakPolarHBondContact O-CA 3.38Å; K89-T95 CarbonylContact C-O 3.58Å; K89-T95 WeakPolarHBondContact CA-O 2.85Å; N90-T95 PolarHBondContact N-O 2.64Å; N90-T95 PolarHBondContact O-N 2.76Å; T93-T95 VanDerWaalsContact C-N 3.25Å; T93-T95 WeakPolarHBondContact CB-OG1 3.41Å; T93-T95 PolarHBondContact O-N 2.88Å; T93-T95 PolarHBondContact O-OG1 2.8Å; T93-T95 WeakPolarHBondContact OG1-CB 3.29Å; T93-T95 PolarHBondContact OG1-OG1 2.81Å
96S91.6Very high89.8Confident0 Ų058.4 Ų58.40%029%0.294CS..EExtended strand (participates in β ladder)trans-113.6138.4162.1-172.50000109.5S38 W39 W53 S88S38-S96 CarbonylContact C-O 3.56Å; S38-S96 WeakPolarHBondContact CA-O 3.28Å; W39-S96 PolarHBondContact N-O 3.22Å; W39-S96 PolarHBondContact O-N 2.86Å; W53-S96 PolarHBondContact NE1-OG 2.97Å; S88-S96 CarbonylContact O-C 3.56Å; S88-S96 VanDerWaalsContact O-CA 3.27Å; S88-S96 WeakPolarHBondContact O-CA 3.27Å; S88-S96 PolarHBondContact O-OG 3.42Å
97T92.1Very high89.9Confident27 Ų2755.8 Ų55.817%0.16628%0.283CS..EExtended strand (participates in β ladder)trans-124.2123.3179.9-56.70000109.9H36 I37 S38 V87 S88H36-T97 HydrophobicContact CB-CG2 4.18Å; I37-T97 CarbonylContact O-C 3.45Å; I37-T97 VanDerWaalsContact O-CA 3.25Å; I37-T97 WeakPolarHBondContact O-CA 3.31Å; S38-T97 PolarHBondContact OG-OG1 2.84Å; V87-T97 CarbonylContact C-O 3.58Å; V87-T97 VanDerWaalsContact CA-O 3.3Å; V87-T97 WeakPolarHBondContact CA-O 3.09Å; S88-T97 PolarHBondContact N-O 3.1Å; S88-T97 PolarHBondContact O-N 3.12Å
98L91.5Very high90.1Very high0 Ų062.8 Ų62.80%032%0.315CS..EExtended strand (participates in β ladder)trans-94.6120.6168.6174.566000109.3H36 I37 W53 L65 L85 V87 I100 Y111H36-L98 CarbonylContact C-O 3.49Å; H36-L98 WeakPolarHBondContact CA-O 3.33Å; I37-L98 HydrophobicContact CB-CB 4.4Å; I37-L98 HydrophobicContact CD1-CD2 4.43Å; I37-L98 PolarHBondContact N-O 3.43Å; I37-L98 PolarHBondContact O-N 3.18Å; W53-L98 HydrophobicContact CD2-CB 3.82Å; W53-L98 HydrophobicContact CD2-CD2 4.14Å; W53-L98 HydrophobicContact CD2-CG 4.49Å; W53-L98 HydrophobicContact CE3-CB 3.81Å; W53-L98 HydrophobicContact CE3-CD2 3.65Å; W53-L98 HydrophobicContact CE3-CG 4.34Å; W53-L98 HydrophobicContact CH2-CB 3.8Å; W53-L98 HydrophobicContact CZ2-CB 3.82Å; W53-L98 HydrophobicContact CZ3-CB 3.8Å; W53-L98 HydrophobicContact CZ3-CD2 4.06Å; L65-L98 HydrophobicContact CD1-CD2 4.13Å; L85-L98 HydrophobicContact CB-CD1 4.31Å; L85-L98 HydrophobicContact CD2-CD1 4.36Å; V87-L98 HydrophobicContact CG2-CB 4.13Å; V87-L98 HydrophobicContact CG2-CD1 3.36Å; V87-L98 HydrophobicContact CG2-CG 4.35Å; L98-I100 HydrophobicContact CD2-CG1 4.43Å; L98-I100 HydrophobicContact CG-CG1 4.24Å; L98-Y111 HydrophobicContact CD2-CD1 3.47Å; L98-Y111 VanDerWaalsContact CD2-CD1 3.47Å; L98-Y111 HydrophobicContact CD2-CE1 3.92Å; L98-Y111 HydrophobicContact CD2-CG 4.23Å
99K91.3Very high90.3Very high58 Ų5861.1 Ų61.125%0.25230%0.302SS..EExtended strand (participates in β ladder)trans-103.9127.3172.9177.8-175.3171-162.10109.5A35 L85 E86A35-K99 CarbonylContact O-C 3.56Å; A35-K99 VanDerWaalsContact O-CA 3.29Å; A35-K99 WeakPolarHBondContact O-CA 3.45Å; L85-K99 CarbonylContact C-O 3.57Å; L85-K99 WeakPolarHBondContact CA-O 3.42Å; E86-K99 HydrophobicContact CB-CB 4.26Å; E86-K99 PolarHBondContact N-O 2.85Å; E86-K99 PolarHBondContact O-N 3.24Å; E86-K99 VanDerWaalsContact OE2-CD 3.27Å; E86-K99 WeakPolarHBondContact OE2-CD 3.19Å; E86-K99 WeakPolarHBondContact OE2-CE 3.36Å; E86-K99 IonicContact OE2-NZ 2.61Å; E86-K99 PolarHBondContact OE2-NZ 3.07Å
100I90.9Very high90.4Very high2 Ų264.7 Ų64.71%0.0132%0.324CS..EExtended strand (participates in β ladder)trans-112.5115.8177.5-52.6157.7000106.5S34 A35 I37 K84 L85 L98 L103 Y111S34-I100 CarbonylContact C-O 3.59Å; S34-I100 WeakPolarHBondContact CA-O 3.38Å; S34-I100 WeakPolarHBondContact CB-O 3.45Å; A35-I100 PolarHBondContact N-O 2.99Å; A35-I100 PolarHBondContact O-N 3.15Å; I37-I100 HydrophobicContact CD1-CD1 3.73Å; I37-I100 HydrophobicContact CG1-CD1 4.39Å; K84-I100 HydrophobicContact CG-CG2 4.37Å; L85-I100 HydrophobicContact CD2-CB 4.08Å; L85-I100 HydrophobicContact CD2-CG1 3.66Å; L85-I100 HydrophobicContact CD2-CG2 3.9Å; L98-I100 HydrophobicContact CD2-CG1 4.43Å; L98-I100 HydrophobicContact CG-CG1 4.24Å; I100-L103 HydrophobicContact CB-CD2 4.13Å; I100-L103 HydrophobicContact CG2-CD2 3.74Å; I100-Y111 HydrophobicContact CD1-CD1 4.48Å; I100-Y111 HydrophobicContact CD1-CD2 4.45Å; I100-Y111 HydrophobicContact CD1-CE1 3.78Å; I100-Y111 HydrophobicContact CD1-CE2 3.76Å; I100-Y111 WeakPolarHBondContact CD1-OH 3.31Å
101K89.8Confident90.5Very high49 Ų4962.6 Ų62.621%0.21331%0.312CS..  trans-83.1157.9175.7-62.7176.4-177.8168.30110.3K84 E86 L103K84-K101 WeakPolarHBondContact CE-O 3.48Å; K84-K101 HydrophobicContact CG-CB 4.4Å; K84-K101 WeakPolarHBondContact CG-O 3.44Å; K84-K101 WeakPolarHBondContact O-CB 3.46Å; K84-K101 PolarHBondContact O-N 2.81Å; E86-K101 VanDerWaalsContact CD-NZ 3.31Å; E86-K101 WeakPolarHBondContact OE1-CE 3.4Å; E86-K101 IonicContact OE1-NZ 2.74Å; E86-K101 PolarHBondContact OE1-NZ 2.89Å; E86-K101 VanDerWaalsContact OE2-CE 3.28Å; E86-K101 WeakPolarHBondContact OE2-CE 3.31Å; E86-K101 IonicContact OE2-NZ 3.49Å; K101-L103 PolarHBondContact O-N 3.06Å
102F89.8Confident90.6Very high129 Ų12963.9 Ų63.957%0.56631%0.311SS*.SBendtrans45.760.8169.9-49.1-66.7000113.4K33 K84 E104K33-F102 PolarHBondContact O-N 3.37Å; K84-F102 WeakPolarHBondContact CE-O 3.48Å; K84-F102 PolarHBondContact NZ-O 2.82Å; F102-E104 PolarHBondContact O-N 3.5Å
103L90.7Very high90.8Very high25 Ų2556.3 Ų56.313%0.13128%0.278CS..  trans-54.4134.2-176.4-74.5166.3000112.4R29 A31 N32 K33 A35 I100 K101 D107R29-L103 HydrophobicContact CB-CD1 3.46Å; R29-L103 VanDerWaalsContact CB-CD1 3.46Å; R29-L103 HydrophobicContact CG-CD1 4.28Å; A31-L103 WeakPolarHBondContact CA-O 3.45Å; N32-L103 PolarHBondContact N-O 3.49Å; K33-L103 WeakPolarHBondContact O-CG 3.41Å; K33-L103 PolarHBondContact O-N 2.84Å; A35-L103 HydrophobicContact CB-CD1 3.79Å; A35-L103 HydrophobicContact CB-CD2 4.18Å; A35-L103 HydrophobicContact CB-CG 4.37Å; I100-L103 HydrophobicContact CB-CD2 4.13Å; I100-L103 HydrophobicContact CG2-CD2 3.74Å; K101-L103 PolarHBondContact O-N 3.06Å; L103-D107 WeakPolarHBondContact CA-OD2 3.27Å; L103-D107 HydrophobicContact CD2-CB 4.02Å
104E90.6Very high90.8Very high107 Ų10755 Ų5550%0.528%0.275SS..  trans-127168177.4-66.3165.415300109.3K84 F102 E106 D107K84-E104 IonicContact NZ-OE2 2.56Å; K84-E104 PolarHBondContact NZ-OE2 3.2Å; F102-E104 PolarHBondContact O-N 3.5Å; E104-E106 WeakPolarHBondContact CB-OE2 3.25Å; E104-E106 PolarHBondContact O-N 3.5Å; E104-D107 PolarHBondContact N-OD2 3.31Å; E104-D107 WeakPolarHBondContact O-CB 3.29Å; E104-D107 PolarHBondContact O-N 3.08Å
105K88.8Confident90.7Very high168 Ų16855 Ų5573%0.7327%0.274SS*.G310 helixtrans-62.1-28.8-178.3-169.1174-178.3178.60112D107 E108K105-D107 PolarHBondContact O-N 3.47Å; K105-E108 VanDerWaalsContact O-CB 3.32Å; K105-E108 WeakPolarHBondContact O-CB 3.48Å; K105-E108 PolarHBondContact O-N 3.02Å
106E87.7Confident90.4Very high111 Ų11163 Ų6352%0.51930%0.302SS..G310 helixtrans-69.1-17178.6-64.668.5-151.200113.4E104 E108E104-E106 WeakPolarHBondContact CB-OE2 3.25Å; E104-E106 PolarHBondContact O-N 3.5Å; E106-E108 VanDerWaalsContact C-N 3.35Å
107D88.7Confident89.7Confident16 Ų1666.7 Ų66.79%0.08632%0.321CS..G310 helixtrans-88.4-3.3176.6-50.6-46.5000112.8K84 L103 E104 K105 V109 Y111K84-D107 WeakPolarHBondContact CE-OD2 3.49Å; K84-D107 IonicContact NZ-OD1 3.75Å; K84-D107 PolarHBondContact NZ-OD1 2.78Å; K84-D107 IonicContact NZ-OD2 2.9Å; K84-D107 PolarHBondContact NZ-OD2 2.8Å; L103-D107 WeakPolarHBondContact CA-OD2 3.27Å; L103-D107 HydrophobicContact CD2-CB 4.02Å; E104-D107 PolarHBondContact N-OD2 3.31Å; E104-D107 WeakPolarHBondContact O-CB 3.29Å; E104-D107 PolarHBondContact O-N 3.08Å; K105-D107 PolarHBondContact O-N 3.47Å; D107-V109 PolarHBondContact O-N 2.94Å; D107-Y111 WeakPolarHBondContact O-CE2 3.09Å; D107-Y111 PolarHBondContact O-OH 2.97Å
108E91.2Very high88.6Confident149 Ų14976.5 Ų76.570%0.69636%0.355SS*.  trans-74.477.9174.6-167.8-176.3165.200109.7K105 E106K105-E108 VanDerWaalsContact O-CB 3.32Å; K105-E108 WeakPolarHBondContact O-CB 3.48Å; K105-E108 PolarHBondContact O-N 3.02Å; E106-E108 VanDerWaalsContact C-N 3.35Å
109V92Very high87Confident27 Ų2786.9 Ų86.916%0.16440%0.403CS..SBendtrans-142.8169.4-173.7-56.90000110.2W55 Q56 K57 D107 Y111W55-V109 HydrophobicContact CB-CG2 3.83Å; W55-V109 HydrophobicContact CE3-CG2 4.23Å; Q56-V109 WeakPolarHBondContact O-CB 3.3Å; K57-V109 HydrophobicContact CB-CG1 4.38Å; K57-V109 HydrophobicContact CG-CG1 3.53Å; D107-V109 PolarHBondContact O-N 2.94Å; V109-Y111 HydrophobicContact CG2-CD2 4.01Å; V109-Y111 HydrophobicContact CG2-CE1 4.03Å; V109-Y111 HydrophobicContact CG2-CE2 3.42Å; V109-Y111 VanDerWaalsContact CG2-CE2 3.42Å; V109-Y111 VanDerWaalsContact CG2-CZ 3.41Å; V109-Y111 WeakPolarHBondContact O-CD2 3.33Å
110V92.5Very high86.8Confident84 Ų8488.4 Ų88.451%0.50941%0.411SS..EExtended strand (participates in β ladder)trans-85.9129.5171.2-171.50000108.8W55 Q56 H112W55-V110 CarbonylContact C-O 3.6Å; W55-V110 VanDerWaalsContact CA-O 3.28Å; W55-V110 WeakPolarHBondContact CA-O 3.1Å; Q56-V110 HydrophobicContact CB-CB 4.48Å; Q56-V110 PolarHBondContact N-O 2.9Å; Q56-V110 PolarHBondContact O-N 2.93Å; Q56-V110 VanDerWaalsContact O-N 3.15Å; V110-H112 VanDerWaalsContact CG1-NE2 3.31Å; V110-H112 WeakPolarHBondContact CG1-NE2 3.37Å
111Y92.4Very high86.6Confident22 Ų2292.9 Ų92.99%0.08643%0.432CS..EExtended strand (participates in β ladder)trans-102.4131.5175.1-66.3-92.8000109.5I37 Y54 W55 L65 L98 I100 D107 V109I37-Y111 HydrophobicContact CD1-CD1 4.12Å; I37-Y111 HydrophobicContact CD1-CD2 3.27Å; I37-Y111 HydrophobicContact CD1-CE2 3.85Å; I37-Y111 HydrophobicContact CD1-CG 3.42Å; I37-Y111 VanDerWaalsContact CD1-CG 3.42Å; Y54-Y111 WeakPolarHBondContact O-CA 3.37Å; W55-Y111 HydrophobicContact CB-CD1 4.14Å; W55-Y111 HydrophobicContact CB-CE1 4.16Å; L65-Y111 HydrophobicContact CD1-CD1 3.82Å; L65-Y111 HydrophobicContact CD1-CE1 3.94Å; L98-Y111 HydrophobicContact CD2-CD1 3.47Å; L98-Y111 VanDerWaalsContact CD2-CD1 3.47Å; L98-Y111 HydrophobicContact CD2-CE1 3.92Å; L98-Y111 HydrophobicContact CD2-CG 4.23Å; I100-Y111 HydrophobicContact CD1-CD1 4.48Å; I100-Y111 HydrophobicContact CD1-CD2 4.45Å; I100-Y111 HydrophobicContact CD1-CE1 3.78Å; I100-Y111 HydrophobicContact CD1-CE2 3.76Å; I100-Y111 WeakPolarHBondContact CD1-OH 3.31Å; D107-Y111 WeakPolarHBondContact O-CE2 3.09Å; D107-Y111 PolarHBondContact O-OH 2.97Å; V109-Y111 HydrophobicContact CG2-CD2 4.01Å; V109-Y111 HydrophobicContact CG2-CE1 4.03Å; V109-Y111 HydrophobicContact CG2-CE2 3.42Å; V109-Y111 VanDerWaalsContact CG2-CE2 3.42Å; V109-Y111 VanDerWaalsContact CG2-CZ 3.41Å; V109-Y111 WeakPolarHBondContact O-CD2 3.33Å
112H91Very high86.4Confident66 Ų6695.3 Ų95.331%0.30644%0.444SS..EExtended strand (participates in β ladder)trans-117.9145.7179.9-57.8-91.2000110.6W53 Y54 Q56 L62 V110W53-H112 WeakPolarHBondContact CA-O 3.04Å; Y54-H112 PolarHBondContact N-O 3.35Å; Y54-H112 PolarHBondContact O-N 3.05Å; Q56-H112 PolarHBondContact OE1-NE2 2.78Å; L62-H112 HydrophobicContact CD1-CB 4.15Å; L62-H112 WeakPolarHBondContact CD1-CD2 3.38Å; V110-H112 VanDerWaalsContact CG1-NE2 3.31Å; V110-H112 WeakPolarHBondContact CG1-NE2 3.37Å
113C90.8Very high86.2Confident23 Ų2393.4 Ų93.416%0.15544%0.437CS..EExtended strand (participates in β ladder)trans-125.1136.2176.7-177.20000109.4W39 I51 H52 W53W39-C113 HydrophobicContact CB-CB 3.84Å; W39-C113 HydrophobicContact CD2-CB 3.88Å; W39-C113 HydrophobicContact CE3-CB 4.46Å; W39-C113 HydrophobicContact CG-CB 3.6Å; W39-C113 VanDerWaalsContact CG-SG 3.57Å; I51-C113 WeakPolarHBondContact CG2-SG 3.47Å; H52-C113 CarbonylContact O-C 3.51Å; H52-C113 WeakPolarHBondContact O-CA 3.34Å; W53-C113 HydrophobicContact CD2-CB 4.28Å; W53-C113 HydrophobicContact CE3-CB 4.19Å; W53-C113 HydrophobicContact CH2-CB 4.18Å; W53-C113 HydrophobicContact CZ2-CB 4.25Å; W53-C113 HydrophobicContact CZ3-CB 4.14Å
114A90Very high85.9Confident42 Ų4297.6 Ų97.635%0.34746%0.456SS..EExtended strand (participates in β ladder)trans-142.6154-179.200000112.3H52 Y54H52-A114 PolarHBondContact N-O 3.49Å; H52-A114 PolarHBondContact O-N 2.97Å; Y54-A114 HydrophobicContact CE2-CB 4.08Å
115C89.8Confident85.6Confident27 Ų2797 Ų9718%0.18245%0.453CS..EExtended strand (participates in β ladder)trans-146.9157.5170.777.50000110.3W39 I43 K49 I50 I51W39-C115 HydrophobicContact CH2-CB 4.24Å; I43-C115 WeakPolarHBondContact CD1-SG 3.47Å; K49-C115 HydrophobicContact CB-CB 4.41Å; I50-C115 WeakPolarHBondContact O-CB 3.48Å; I51-C115 HydrophobicContact CD1-CB 3.61Å
116W84.3Confident85.4Confident190 Ų19091.9 Ų91.972%0.7243%0.433SS*.PPolyproline II helixtrans-88.5119.1179.5-59.497.6000111.3K49 H52K49-W116 WeakPolarHBondContact CD-O 3.04Å; K49-W116 PolarHBondContact NZ-O 3.38Å; H52-W116 AromaticContact NE2-CD1 3.81Å; H52-W116 AromaticContact NE2-NE1 3.65Å
117I78.8Confident85.2Confident79 Ų7990.5 Ų90.541%0.40543%0.427SS..PPolyproline II helixtrans-94.1119.9169.5-56.1177000106.7I43I43-I117 HydrophobicContact CG2-CD1 4.14Å
118R68.6Low84.9Confident232 Ų23296.7 Ų96.788%0.87546%0.455SS*.PPolyproline II helixtrans-83.4125.2170.3-68.7-172.6-178.6-179.80106.2
119H57.8Low84.4Confident219 Ų21991.9 Ų91.9100%1.01443%0.433SS*.  trans-94.70170.4-73.4-79.4000109.4

Retrieved 119 of 119 residues in 51.7 ms (Link to these results)