RL16_STAAM Loading...

Large ribosomal subunit protein uL16

Binds 23S rRNA and is also seen to make contacts with the A and possibly P site tRNAs.

AlphaFold DB (Q2FW13), UniProt , Accession Q99S28, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), Gene rplP, Length 144 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
1M87.2Confident94.8Very high143 Ų143133.7 Ų133.770%0.70458%0.578SS**  0145.60-68.5-177.6-76.600109.1R45M1-R45 HydrophobicContact SD-CG 3.58Å; M1-R45 VanDerWaalsContact SD-CG 3.58Å
2L94Very high94.8Very high54 Ų54128.6 Ų128.628%0.28356%0.558SS.*  trans-77.2134177.2-62.5174.6000111.4S44 I47 I66 F69 P70L2-S44 WeakPolarHBondContact O-CB 3.33Å; L2-I47 HydrophobicContact CD1-CG2 3.97Å; L2-I66 HydrophobicContact CD1-CD1 4.26Å; L2-I66 HydrophobicContact CD1-CG2 4.35Å; L2-F69 HydrophobicContact CB-CD2 4.46Å; L2-F69 HydrophobicContact CB-CE2 4.24Å; L2-P70 HydrophobicContact CB-CG 3.65Å; L2-P70 WeakPolarHBondContact O-CG 3.49Å
3L94.5Very high94.8Very high96 Ų96132 Ų13250%0.50358%0.577SS.*  trans-157.8155.4173.160.991000110.6W93L3-W93 HydrophobicContact CB-CG 4.3Å
4P96.7Very high94.8Very high24 Ų24136.3 Ų136.316%0.15659%0.587CS.*  trans-68.9134.6174.9-15.529.6000111.6R6 V7 F69 W93P4-R6 VanDerWaalsContact C-N 3.32Å; P4-R6 PolarHBondContact O-N 3.41Å; P4-V7 HydrophobicContact CB-CG1 3.84Å; P4-V7 HydrophobicContact CG-CG1 4.14Å; P4-F69 HydrophobicContact CB-CE1 4.43Å; P4-F69 HydrophobicContact CG-CE1 3.96Å; P4-F69 HydrophobicContact CG-CZ 4.39Å; P4-W93 VanDerWaalsContact CD-CD2 3.5Å; P4-W93 HydrophobicContact CG-CD2 4.14Å; P4-W93 HydrophobicContact CG-CE3 3.63Å; P4-W93 HydrophobicContact CG-CH2 3.98Å; P4-W93 HydrophobicContact CG-CZ2 4.41Å; P4-W93 HydrophobicContact CG-CZ3 3.54Å
5K96.1Very high94.6Very high220 Ų220129.7 Ų129.796%0.95756%0.564SS**SBendtrans-62.9-36.9177-68.3-176.2177.8-178.70112.8
6R95.7Very high94.5Very high230 Ų230132.4 Ų132.487%0.86858%0.576SS**  trans-146.1146.3178.7-172.9176.1-179.8-178.20.9109.2P4P4-R6 VanDerWaalsContact C-N 3.32Å; P4-R6 PolarHBondContact O-N 3.41Å
7V95.9Very high94.2Very high49 Ų49127.7 Ų127.730%0.29756%0.561SS.*  trans-131.5145.8172-68.90000111P4 W93P4-V7 HydrophobicContact CB-CG1 3.84Å; P4-V7 HydrophobicContact CG-CG1 4.14Å; V7-W93 HydrophobicContact CB-CH2 4.29Å; V7-W93 HydrophobicContact CG1-CH2 3.4Å; V7-W93 HydrophobicContact CG1-CZ2 4.38Å; V7-W93 HydrophobicContact CG1-CZ3 3.86Å; V7-W93 HydrophobicContact CG2-CH2 4.03Å
8K96.8Very high94.1Very high175 Ų175126.1 Ų126.176%0.76156%0.564SS**SBendtrans-66.3-39.6173.9-171.7178.1-177.4-170.40111.7
9Y96Very high94Very high144 Ų144122.4 Ų122.457%0.56556%0.564SS**  trans-128128.7-178.7-53.3-68.3000111
10R94.5Very high94.1Very high205 Ų205127.2 Ų127.277%0.77458%0.577SS**SBendtrans-71.5-39.2-177.9-66.3178.568.7-176.52.7112.9P73 V90R10-P73 WeakPolarHBondContact O-CG 3.49Å; R10-V90 WeakPolarHBondContact O-CG2 3.44Å
11R95.2Very high94.1Very high131 Ų131121.9 Ų121.949%0.49456%0.555SS.*  trans-121119.2-174.9-61.4176.3-179.3168.5-3.7110.1T75 K87 G88 V90R11-T75 HydrophobicContact CB-CG2 4.45Å; R11-T75 HydrophobicContact CG-CG2 4.13Å; R11-K87 HydrophobicContact CB-CD 4.13Å; R11-K87 VanDerWaalsContact CZ-O 3.24Å; R11-K87 PolarHBondContact NH1-O 2.94Å; R11-G88 PolarHBondContact NE-O 3.42Å; R11-G88 VanDerWaalsContact NE-O 3.14Å; R11-V90 HydrophobicContact CG-CG2 4.18Å
12Q95.2Very high94.5Very high72 Ų72125.6 Ų125.634%0.33657%0.567SS.*  trans-110.9147.8-179.8-63.1178.21500111.4P73 K87Q12-P73 HydrophobicContact CB-CG 4.18Å; Q12-P73 VanDerWaalsContact CD-CD 3.47Å; Q12-P73 HydrophobicContact CG-CG 3.92Å; Q12-K87 PolarHBondContact O-NZ 2.74Å
13H95.2Very high94.5Very high173 Ų173124.3 Ų124.380%0.80157%0.567SS**PPolyproline II helixtrans-56.8152.4170.3-64.6155.4000111
14R93.7Very high94.5Very high192 Ų192120.6 Ų120.673%0.72555%0.552SS**PPolyproline II helixtrans-65.1128.7-177.8-73.5176175.7178.71.6109.4W41R14-W41 HydrophobicContact CB-CH2 3.98Å; R14-W41 HydrophobicContact CB-CZ2 4.21Å; R14-W41 HydrophobicContact CG-CH2 3.89Å
15P93Very high94.4Very high37 Ų37122.4 Ų122.424%0.2456%0.56CS.*PPolyproline II helixtrans-71.9144.4-18030.1-35.3000110.8W41 T72 I94 V96P15-W41 HydrophobicContact CG-CZ2 4.05Å; P15-T72 HydrophobicContact CG-CG2 4.05Å; P15-I94 HydrophobicContact CG-CD1 4.42Å; P15-V96 HydrophobicContact CB-CG2 3.69Å; P15-V96 HydrophobicContact CG-CG2 3.36Å
16K92Very high94.3Very high173 Ų173119.4 Ų119.475%0.75254%0.544SS*.PPolyproline II helixtrans-75.2139.9172.9-62.3-176.7-178.7-178.40110.4
17T90.2Very high94.2Very high53 Ų53109.1 Ų109.133%0.32551%0.507SS..  trans-972.6179460000113.6T39T17-T39 VanDerWaalsContact CB-OG1 3.3Å; T17-T39 WeakPolarHBondContact CB-OG1 3.43Å; T17-T39 PolarHBondContact O-OG1 2.92Å
18T91.8Very high94.1Very high99 Ų99109 Ų10961%0.60751%0.506SS*.  trans-72149.7-17654.60000113K98T18-K98 VanDerWaalsContact O-CE 3.25Å; T18-K98 WeakPolarHBondContact O-CE 3.32Å; T18-K98 PolarHBondContact O-NZ 3.3Å
19G92.2Very high93.9Very high55 Ų55106.1 Ų106.157%0.56749%0.494SS*.SBendtrans85.9-179.6174.900000115
20R95.1Very high93.8Very high219 Ų21999.3 Ų99.383%0.82647%0.467SS*.  trans-85.3165.1176.8-66.3-174.7177.7171.60.1111.5K22 K98R20-K22 PolarHBondContact O-N 2.84Å; R20-K98 WeakPolarHBondContact O-CD 3.48Å
21S95.1Very high93.8Very high15 Ų1594 Ų9411%0.10545%0.451CS..  trans-63.2128.9175177.20000111.3G23 N25 P99S21-G23 PolarHBondContact O-N 3.37Å; S21-G23 PolarHBondContact OG-O 3.22Å; S21-N25 WeakPolarHBondContact CB-OD1 3.47Å; S21-N25 PolarHBondContact O-ND2 3.15Å; S21-N25 VanDerWaalsContact O-ND2 3.1Å; S21-N25 PolarHBondContact OG-OD1 2.75Å; S21-P99 VanDerWaalsContact CB-O 3.29Å; S21-P99 WeakPolarHBondContact CB-O 3.35Å; S21-P99 PolarHBondContact N-O 2.7Å
22K95Very high93.9Very high221 Ų22188.2 Ų88.296%0.96143%0.43SS*.SBendtrans-63.6-27.3179.5-175.2178.9178.3-177.80112.6R20R20-K22 PolarHBondContact O-N 2.84Å
23G94.1Very high94Very high27 Ų2784.8 Ų84.828%0.27841%0.414SS..SBendtrans-178.5-177.8-17800000112.4S21 N25 R101S21-G23 PolarHBondContact O-N 3.37Å; S21-G23 PolarHBondContact OG-O 3.22Å; G23-N25 VanDerWaalsContact C-N 3.33Å; G23-N25 PolarHBondContact O-OD1 3.44Å; G23-N25 VanDerWaalsContact O-OD1 3.09Å; G23-R101 VanDerWaalsContact O-CD 3.3Å; G23-R101 WeakPolarHBondContact O-CD 3.19Å; G23-R101 PolarHBondContact O-NH1 3.34Å
24G94.1Very high94.1Very high19 Ų1976.8 Ų76.820%0.19638%0.377CS..  trans64.641.3-17100000111.6I102G24-I102 PolarHBondContact O-N 2.64Å
25N94.6Very high94.3Very high62 Ų6269.5 Ų69.533%0.33235%0.351SS..  trans-99-3.7-174.6-59.8-16.6000112.9S21 G23 G100S21-N25 WeakPolarHBondContact CB-OD1 3.47Å; S21-N25 PolarHBondContact O-ND2 3.15Å; S21-N25 VanDerWaalsContact O-ND2 3.1Å; S21-N25 PolarHBondContact OG-OD1 2.75Å; G23-N25 VanDerWaalsContact C-N 3.33Å; G23-N25 PolarHBondContact O-OD1 3.44Å; G23-N25 VanDerWaalsContact O-OD1 3.09Å; N25-G100 VanDerWaalsContact CA-O 3.26Å; N25-G100 WeakPolarHBondContact CA-O 3.18Å; N25-G100 WeakPolarHBondContact CB-O 3.24Å; N25-G100 PolarHBondContact OD1-O 2.92Å
26Y94Very high94.6Very high157 Ų15767.8 Ų67.862%0.61634%0.34SS*.SBendtrans-122.2155177.956.2-87.9000110T28Y26-T28 HydrophobicContact CE2-CG2 4.18Å; Y26-T28 WeakPolarHBondContact CE2-OG1 3.48Å
27V94.9Very high94.8Very high13 Ų1362.6 Ų62.68%0.07932%0.323CS..  trans-74.3126.6174.3-1770000108.4G30 E105 V132 R134V27-G30 VanDerWaalsContact CG1-O 3.24Å; V27-G30 WeakPolarHBondContact CG1-O 3.37Å; V27-E105 HydrophobicContact CG1-CB 4.49Å; V27-E105 HydrophobicContact CG1-CG 4.05Å; V27-V132 HydrophobicContact CG2-CG2 3.67Å; V27-R134 HydrophobicContact CB-CB 4.15Å; V27-R134 HydrophobicContact CB-CG 4.44Å; V27-R134 HydrophobicContact CG1-CB 4.1Å
28T93.7Very high95.1Very high46 Ų4662.4 Ų62.428%0.28232%0.322SS..  trans-112.2-41.1-173.8-39.30000113.5Y26 K67 E105 R134Y26-T28 HydrophobicContact CE2-CG2 4.18Å; Y26-T28 WeakPolarHBondContact CE2-OG1 3.48Å; T28-K67 VanDerWaalsContact CB-NZ 3.33Å; T28-K67 PolarHBondContact OG1-NZ 2.93Å; T28-E105 PolarHBondContact N-OE1 3.49Å; T28-E105 PolarHBondContact N-OE2 2.88Å; T28-R134 PolarHBondContact O-NH1 3.4Å; T28-R134 VanDerWaalsContact O-NH1 3.09Å
29F93.4Very high95.4Very high116 Ų11660.3 Ų60.351%0.50931%0.308SS..SBendtrans-108.3-43.2-171.7-51.5-63.8000111.6W65 K67 E105F29-W65 HydrophobicContact CB-CD2 3.81Å; F29-W65 HydrophobicContact CB-CE3 4.42Å; F29-W65 HydrophobicContact CB-CG 3.98Å; F29-W65 HydrophobicContact CB-CZ2 4.14Å; F29-W65 AromaticContact CD2-CD1 3.89Å; F29-W65 HydrophobicContact CD2-CG 4.22Å; F29-W65 HydrophobicContact CG-CG 4.42Å; F29-K67 HydrophobicContact CD2-CD 3.89Å; F29-K67 HydrophobicContact CE2-CD 3.94Å; F29-K67 VanDerWaalsContact CE2-NZ 3.33Å; F29-E105 WeakPolarHBondContact CA-OE2 3.48Å; F29-E105 WeakPolarHBondContact CB-OE2 3.28Å; F29-E105 PolarHBondContact N-OE2 2.71Å
30G92.5Very high95.6Very high1 Ų159 Ų591%0.0129%0.291CS..SBendtrans-83.9-177.7-179.200000114.5V27 E105 R134V27-G30 VanDerWaalsContact CG1-O 3.24Å; V27-G30 WeakPolarHBondContact CG1-O 3.37Å; G30-E105 PolarHBondContact N-OE2 3.26Å; G30-R134 WeakPolarHBondContact O-CD 3.44Å
31E95.2Very high95.7Very high92 Ų9252.5 Ų52.543%0.4327%0.266SS..SBendtrans-96.5-30.4172-64165.4133.700110.6V106 A107 G108 R134E31-V106 PolarHBondContact N-O 3.39Å; E31-A107 HydrophobicContact CB-CB 4.47Å; E31-A107 HydrophobicContact CG-CB 3.96Å; E31-A107 VanDerWaalsContact OE2-CA 3.26Å; E31-A107 WeakPolarHBondContact OE2-CA 3.37Å; E31-G108 PolarHBondContact OE2-N 3.3Å; E31-R134 PolarHBondContact O-N 3.05Å
32F97Very high95.8Very high11 Ų1151.8 Ų51.85%0.04826%0.261CS..EExtended strand (participates in β ladder)trans-129.1151.9-179.2-50.4-73000110.8E105 V106 E111 A114 L118 F131 V132 K133F32-E105 CarbonylContact O-C 3.6Å; F32-E105 WeakPolarHBondContact O-CA 3.24Å; F32-V106 PolarHBondContact N-O 2.97Å; F32-V106 PolarHBondContact O-N 3.09Å; F32-E111 HydrophobicContact CD1-CG 4.42Å; F32-E111 HydrophobicContact CE1-CB 3.89Å; F32-E111 HydrophobicContact CE1-CG 3.61Å; F32-E111 HydrophobicContact CE2-CB 4.43Å; F32-E111 HydrophobicContact CZ-CB 3.59Å; F32-E111 HydrophobicContact CZ-CG 3.88Å; F32-A114 HydrophobicContact CB-CB 4.12Å; F32-A114 HydrophobicContact CD2-CB 3.33Å; F32-A114 HydrophobicContact CE2-CB 3.87Å; F32-A114 HydrophobicContact CG-CB 3.79Å; F32-L118 HydrophobicContact CB-CD1 4.15Å; F32-F131 HydrophobicContact CB-CE2 3.85Å; F32-F131 HydrophobicContact CB-CZ 3.9Å; F32-F131 AromaticContact CD1-CE1 3.95Å; F32-F131 HydrophobicContact CD1-CE1 3.95Å; F32-F131 HydrophobicContact CD1-CE2 4.09Å; F32-F131 AromaticContact CD1-CZ 3.27Å; F32-F131 HydrophobicContact CD1-CZ 3.27Å; F32-F131 AromaticContact CE1-CZ 3.99Å; F32-F131 HydrophobicContact CE1-CZ 3.99Å; F32-F131 HydrophobicContact CG-CE2 4.14Å; F32-F131 AromaticContact CG-CZ 3.77Å; F32-F131 HydrophobicContact CG-CZ 3.77Å; F32-V132 CarbonylContact C-O 3.52Å; F32-V132 WeakPolarHBondContact CA-O 3.13Å; F32-K133 HydrophobicContact CD1-CB 4.33Å; F32-K133 HydrophobicContact CD1-CG 4Å; F32-K133 HydrophobicContact CE1-CD 4.01Å; F32-K133 HydrophobicContact CE1-CG 3.87Å
33G97.2Very high95.9Very high0 Ų043 Ų430%023%0.226CC..EExtended strand (participates in β ladder)trans-143158.4-178.500000114.1F104 V132G33-F104 CarbonylContact C-O 3.44Å; G33-F104 VanDerWaalsContact CA-O 3.27Å; G33-F104 WeakPolarHBondContact CA-O 3.27Å; G33-V132 PolarHBondContact N-O 2.9Å; G33-V132 WeakPolarHBondContact O-CG2 3.29Å; G33-V132 PolarHBondContact O-N 2.92Å
34L97.9Very high96Very high4 Ų442.4 Ų42.42%0.02122%0.218CC..EExtended strand (participates in β ladder)trans-109.8108.8172.9-16967.3000109.9L103 F104 L118 A121 L125 T129L34-L103 PolarHBondContact O-N 3.42Å; L34-F104 HydrophobicContact CD2-CD2 4.22Å; L34-F104 PolarHBondContact N-O 2.96Å; L34-L118 HydrophobicContact CB-CD2 3.81Å; L34-L118 HydrophobicContact CD1-CB 4.3Å; L34-A121 HydrophobicContact CD2-CB 4.37Å; L34-L125 HydrophobicContact CD2-CD1 3.94Å; L34-T129 HydrophobicContact CD1-CG2 4.13Å; L34-T129 HydrophobicContact CD2-CG2 4.09Å; L34-T129 HydrophobicContact CG-CG2 3.93Å
35Q97.9Very high96.2Very high40 Ų4049.8 Ų49.819%0.18724%0.24CC..EExtended strand (participates in β ladder)trans-95.1135.1-179.2-170.8177.454.700111.3G100 R101 I102 T129 K130 V132Q35-G100 WeakPolarHBondContact CG-O 3.35Å; Q35-G100 PolarHBondContact NE2-O 2.87Å; Q35-R101 WeakPolarHBondContact CA-O 3.37Å; Q35-I102 HydrophobicContact CB-CD1 3.66Å; Q35-I102 HydrophobicContact CG-CD1 3.91Å; Q35-T129 CarbonylContact O-C 3.58Å; Q35-T129 WeakPolarHBondContact O-CA 3.4Å; Q35-T129 WeakPolarHBondContact O-CB 3.38Å; Q35-K130 PolarHBondContact N-O 2.84Å; Q35-K130 PolarHBondContact O-N 2.94Å; Q35-V132 HydrophobicContact CB-CG1 4.09Å; Q35-V132 HydrophobicContact CB-CG2 4.46Å
36A98Very high96.3Very high0 Ų049.2 Ų49.20%024%0.235CC..EExtended strand (participates in β ladder)trans-78.4133.1170.800000111.5V97 P99 G100 R101 L103 V127A36-V97 HydrophobicContact CB-CG1 3.44Å; A36-V97 VanDerWaalsContact CB-CG1 3.44Å; A36-P99 CarbonylContact O-C 3.4Å; A36-P99 WeakPolarHBondContact O-CA 3.26Å; A36-G100 PolarHBondContact O-N 2.85Å; A36-R101 PolarHBondContact N-O 2.9Å; A36-L103 HydrophobicContact CB-CD1 4.21Å; A36-L103 HydrophobicContact CB-CD2 4.15Å; A36-L103 HydrophobicContact CB-CG 4.28Å; A36-V127 HydrophobicContact CB-CG2 4.45Å
37T97.1Very high96.5Very high65 Ų6541.8 Ų41.840%0.39921%0.206SC..SBendtrans-102.9-20.6175.261.80000112.6P99 K128 K130T37-P99 WeakPolarHBondContact O-CB 3.24Å; T37-P99 WeakPolarHBondContact O-CG 3.26Å; T37-K128 PolarHBondContact N-O 3.15Å; T37-K128 VanDerWaalsContact OG1-C 3.28Å; T37-K128 WeakPolarHBondContact OG1-CB 3.39Å; T37-K128 PolarHBondContact OG1-O 2.95Å; T37-K130 HydrophobicContact CG2-CB 4.01Å
38T96.9Very high96.7Very high49 Ų4943.4 Ų43.430%0.30121%0.212SC..SBendtrans-116.1164.9174.559.60000111.1V127 K128T38-V127 WeakPolarHBondContact OG1-CA 3.45Å; T38-K128 HydrophobicContact CG2-CB 3.99Å; T38-K128 HydrophobicContact CG2-CD 4.09Å; T38-K128 HydrophobicContact CG2-CG 4.13Å; T38-K128 PolarHBondContact OG1-N 2.89Å
39T97.1Very high96.9Very high54 Ų5443.3 Ų43.333%0.33121%0.214SC..  trans-88.5145.5172.8-172.40000111.3T17 V97T17-T39 VanDerWaalsContact CB-OG1 3.3Å; T17-T39 WeakPolarHBondContact CB-OG1 3.43Å; T17-T39 PolarHBondContact O-OG1 2.92Å; T39-V97 VanDerWaalsContact CA-O 3.28Å; T39-V97 WeakPolarHBondContact CA-O 3.48Å; T39-V97 WeakPolarHBondContact CB-O 3.38Å; T39-V97 PolarHBondContact OG1-O 2.89Å
40S96.7Very high97.1Very high28 Ų2837.8 Ų37.820%0.19619%0.189CC..EExtended strand (participates in β ladder)trans-163.7167.3166.9-1640000111V97 P126S40-V97 PolarHBondContact N-O 2.9Å; S40-V97 VanDerWaalsContact N-O 3.09Å; S40-V97 PolarHBondContact O-N 3.14Å; S40-P126 WeakPolarHBondContact CB-O 3.32Å; S40-P126 WeakPolarHBondContact OG-CG 3.13Å; S40-P126 PolarHBondContact OG-O 3.09Å
41W97.1Very high97.3Very high83 Ų8341.6 Ų41.631%0.31420%0.204SC..EExtended strand (participates in β ladder)trans-91.5118.2164.2-65.4-10.8000109R14 P15 I94R14-W41 HydrophobicContact CB-CH2 3.98Å; R14-W41 HydrophobicContact CB-CZ2 4.21Å; R14-W41 HydrophobicContact CG-CH2 3.89Å; P15-W41 HydrophobicContact CG-CZ2 4.05Å; W41-I94 HydrophobicContact CB-CB 4.2Å; W41-I94 HydrophobicContact CB-CD1 3.81Å; W41-I94 HydrophobicContact CB-CG2 4.21Å; W41-I94 HydrophobicContact CD2-CD1 3.37Å; W41-I94 HydrophobicContact CE3-CD1 3.66Å; W41-I94 HydrophobicContact CG-CD1 3.45Å; W41-I94 VanDerWaalsContact CG-CD1 3.45Å; W41-I94 HydrophobicContact CZ3-CD1 4.39Å
42I97.4Very high97.4Very high0 Ų039.6 Ų39.60%020%0.195CC..EExtended strand (participates in β ladder)trans-100.1119179.4-52.1-167.9000109Q46 I47 I68 I94 A95 V97 L103 L125 V127I42-Q46 HydrophobicContact CG2-CB 3.84Å; I42-I47 HydrophobicContact CG2-CD1 4.5Å; I42-I47 HydrophobicContact CG2-CG1 3.75Å; I42-I68 HydrophobicContact CB-CD1 4.35Å; I42-I68 HydrophobicContact CD1-CD1 4.09Å; I42-I68 HydrophobicContact CG2-CD1 4.25Å; I42-I94 CarbonylContact O-C 3.59Å; I42-I94 VanDerWaalsContact O-CA 3.32Å; I42-I94 WeakPolarHBondContact O-CA 3.27Å; I42-A95 PolarHBondContact N-O 3.12Å; I42-A95 PolarHBondContact O-N 3.48Å; I42-V97 HydrophobicContact CB-CG2 4.48Å; I42-V97 HydrophobicContact CD1-CB 4.06Å; I42-V97 HydrophobicContact CD1-CG1 4.35Å; I42-V97 HydrophobicContact CD1-CG2 3.57Å; I42-V97 HydrophobicContact CG1-CB 4.19Å; I42-V97 HydrophobicContact CG1-CG2 3.8Å; I42-L103 HydrophobicContact CD1-CD1 4.09Å; I42-L103 HydrophobicContact CD1-CD2 4.35Å; I42-L125 HydrophobicContact CD1-CD2 4.33Å; I42-L125 HydrophobicContact CG2-CD2 3.98Å; I42-V127 HydrophobicContact CD1-CG2 4.21Å
43T97.8Very high97.4Very high35 Ų3539.9 Ų39.922%0.21520%0.2CC..EExtended strand (participates in β ladder)trans-73.9156.5179.564.40000112R45 Q46 I47 I94T43-R45 PolarHBondContact O-N 3.38Å; T43-Q46 PolarHBondContact O-N 3.21Å; T43-Q46 VanDerWaalsContact O-N 3.12Å; T43-Q46 VanDerWaalsContact OG1-CD 3.27Å; T43-Q46 VanDerWaalsContact OG1-CG 3.29Å; T43-Q46 WeakPolarHBondContact OG1-CG 3.48Å; T43-Q46 PolarHBondContact OG1-N 2.87Å; T43-Q46 PolarHBondContact OG1-OE1 2.78Å; T43-I47 WeakPolarHBondContact O-CG1 3.26Å; T43-I47 PolarHBondContact O-N 3.05Å; T43-I47 VanDerWaalsContact O-N 3.09Å; T43-I94 HydrophobicContact CG2-CG2 4.09Å
44S96.6Very high97.4Very high15 Ų1539.9 Ų39.911%0.10520%0.2CC..Hα-helixtrans-56.4-32.5172.961.70000113.4L2 E48 W93L2-S44 WeakPolarHBondContact O-CB 3.33Å; S44-E48 PolarHBondContact O-N 3.3Å; S44-E48 VanDerWaalsContact O-N 3.13Å; S44-W93 PolarHBondContact N-O 2.77Å; S44-W93 VanDerWaalsContact N-O 3.16Å
45R97.1Very high97.3Very high175 Ų17541.4 Ų41.466%0.6621%0.209SC*.Hα-helixtrans-67.4-43.4175.4-68.3179.8-178.3168.11.3112.1M1 T43 E48 S49M1-R45 HydrophobicContact SD-CG 3.58Å; M1-R45 VanDerWaalsContact SD-CG 3.58Å; T43-R45 PolarHBondContact O-N 3.38Å; R45-E48 PolarHBondContact O-N 3.47Å; R45-S49 WeakPolarHBondContact O-CB 3.49Å; R45-S49 PolarHBondContact O-N 3.14Å; R45-S49 PolarHBondContact O-OG 2.98Å
46Q98.1Very high97.2Very high50 Ų5048.8 Ų48.823%0.23424%0.235CC..Hα-helixtrans-63.5-43.8176.7-75.7160.3-29.200111.3I42 T43 E48 S49 A50 L125I42-Q46 HydrophobicContact CG2-CB 3.84Å; T43-Q46 PolarHBondContact O-N 3.21Å; T43-Q46 VanDerWaalsContact O-N 3.12Å; T43-Q46 VanDerWaalsContact OG1-CD 3.27Å; T43-Q46 VanDerWaalsContact OG1-CG 3.29Å; T43-Q46 WeakPolarHBondContact OG1-CG 3.48Å; T43-Q46 PolarHBondContact OG1-N 2.87Å; T43-Q46 PolarHBondContact OG1-OE1 2.78Å; Q46-E48 VanDerWaalsContact C-N 3.32Å; Q46-E48 PolarHBondContact O-N 3.2Å; Q46-S49 WeakPolarHBondContact CA-OG 3.3Å; Q46-S49 PolarHBondContact O-N 2.92Å; Q46-S49 PolarHBondContact O-OG 3.36Å; Q46-A50 WeakPolarHBondContact O-CB 3.5Å; Q46-A50 PolarHBondContact O-N 3.36Å; Q46-L125 HydrophobicContact CB-CD2 4.39Å
47I98Very high97.1Very high0 Ų053.2 Ų53.20%025%0.253CS..Hα-helixtrans-57.1-47.5175.5-62.3171.9000110.7L2 I42 T43 A50 R51 I66 I68 P70 A95 F104L2-I47 HydrophobicContact CD1-CG2 3.97Å; I42-I47 HydrophobicContact CG2-CD1 4.5Å; I42-I47 HydrophobicContact CG2-CG1 3.75Å; T43-I47 WeakPolarHBondContact O-CG1 3.26Å; T43-I47 PolarHBondContact O-N 3.05Å; T43-I47 VanDerWaalsContact O-N 3.09Å; I47-A50 PolarHBondContact O-N 3.02Å; I47-R51 WeakPolarHBondContact O-CB 3.2Å; I47-R51 PolarHBondContact O-N 3.07Å; I47-I66 HydrophobicContact CG2-CD1 4.19Å; I47-I66 HydrophobicContact CG2-CG2 3.74Å; I47-I68 HydrophobicContact CD1-CD1 3.81Å; I47-I68 HydrophobicContact CD1-CG1 4.1Å; I47-I68 HydrophobicContact CG1-CD1 3.8Å; I47-I68 HydrophobicContact CG1-CG1 4.37Å; I47-P70 HydrophobicContact CD1-CB 4.42Å; I47-P70 HydrophobicContact CD1-CG 4.31Å; I47-A95 HydrophobicContact CD1-CB 4.36Å; I47-F104 HydrophobicContact CG2-CE1 4.14Å; I47-F104 HydrophobicContact CG2-CZ 4.1Å
48E97.9Very high97Very high47 Ų4750.6 Ų50.622%0.2224%0.236CC..Hα-helixtrans-66.5-41.3-179.8-176.757.4-16400112.2S44 R45 Q46 A50 R51 I52S44-E48 PolarHBondContact O-N 3.3Å; S44-E48 VanDerWaalsContact O-N 3.13Å; R45-E48 PolarHBondContact O-N 3.47Å; Q46-E48 VanDerWaalsContact C-N 3.32Å; Q46-E48 PolarHBondContact O-N 3.2Å; E48-A50 VanDerWaalsContact C-N 3.33Å; E48-A50 PolarHBondContact O-N 3.38Å; E48-R51 PolarHBondContact O-N 2.96Å; E48-R51 IonicContact OE1-CZ 3.36Å; E48-R51 IonicContact OE1-NE 3.98Å; E48-R51 PolarHBondContact OE1-NE 3.11Å; E48-R51 IonicContact OE1-NH2 2.7Å; E48-R51 PolarHBondContact OE1-NH2 3.48Å; E48-R51 IonicContact OE2-CZ 3.92Å; E48-R51 IonicContact OE2-NE 2.71Å; E48-R51 PolarHBondContact OE2-NE 3.46Å; E48-R51 IonicContact OE2-NH2 3.97Å; E48-I52 HydrophobicContact CG-CD1 3.92Å; E48-I52 HydrophobicContact CG-CG1 4.46Å; E48-I52 VanDerWaalsContact O-CG1 3.31Å; E48-I52 WeakPolarHBondContact O-CG1 3.49Å; E48-I52 PolarHBondContact O-N 2.62Å
49S97.9Very high96.8Very high44 Ų4457.2 Ų57.231%0.30826%0.261SS..Hα-helixtrans-62.9-38.5177.468.70000112.7R45 Q46 A53 K124R45-S49 WeakPolarHBondContact O-CB 3.49Å; R45-S49 PolarHBondContact O-N 3.14Å; R45-S49 PolarHBondContact O-OG 2.98Å; Q46-S49 WeakPolarHBondContact CA-OG 3.3Å; Q46-S49 PolarHBondContact O-N 2.92Å; Q46-S49 PolarHBondContact O-OG 3.36Å; S49-A53 WeakPolarHBondContact O-CB 3.26Å; S49-A53 PolarHBondContact O-N 3.14Å; S49-K124 WeakPolarHBondContact OG-CB 3.23Å
50A98Very high96.4Very high0 Ų065.9 Ų65.90%029%0.288CS..Hα-helixtrans-67.6-43174.200000111.6Q46 I47 E48 I52 A53 M54 F104 A121 K124 L125Q46-A50 WeakPolarHBondContact O-CB 3.5Å; Q46-A50 PolarHBondContact O-N 3.36Å; I47-A50 PolarHBondContact O-N 3.02Å; E48-A50 VanDerWaalsContact C-N 3.33Å; E48-A50 PolarHBondContact O-N 3.38Å; A50-I52 PolarHBondContact O-N 2.94Å; A50-A53 PolarHBondContact O-N 2.84Å; A50-M54 WeakPolarHBondContact O-CG 3.33Å; A50-M54 PolarHBondContact O-N 3.17Å; A50-M54 VanDerWaalsContact O-N 3.11Å; A50-F104 HydrophobicContact CB-CE2 3.7Å; A50-F104 HydrophobicContact CB-CZ 3.68Å; A50-A121 HydrophobicContact CB-CB 4.2Å; A50-K124 HydrophobicContact CB-CB 4.29Å; A50-L125 HydrophobicContact CB-CD2 4.07Å; A50-L125 HydrophobicContact CB-CG 4.36Å
51R97.3Very high96Very high81 Ų8166.2 Ų66.231%0.30630%0.295SS..Hα-helixtrans-58.8-46.8175.3-171.5-159.670.974.90.2111.8I47 E48 M54 T55 I66I47-R51 WeakPolarHBondContact O-CB 3.2Å; I47-R51 PolarHBondContact O-N 3.07Å; E48-R51 PolarHBondContact O-N 2.96Å; E48-R51 IonicContact OE1-CZ 3.36Å; E48-R51 IonicContact OE1-NE 3.98Å; E48-R51 PolarHBondContact OE1-NE 3.11Å; E48-R51 IonicContact OE1-NH2 2.7Å; E48-R51 PolarHBondContact OE1-NH2 3.48Å; E48-R51 IonicContact OE2-CZ 3.92Å; E48-R51 IonicContact OE2-NE 2.71Å; E48-R51 PolarHBondContact OE2-NE 3.46Å; E48-R51 IonicContact OE2-NH2 3.97Å; R51-M54 PolarHBondContact O-N 2.97Å; R51-T55 WeakPolarHBondContact O-CG2 3.24Å; R51-T55 PolarHBondContact O-N 3.04Å; R51-T55 PolarHBondContact O-OG1 3.06Å; R51-I66 HydrophobicContact CB-CD1 4.4Å; R51-I66 HydrophobicContact CG-CD1 4.11Å
52I96.9Very high95.9Very high50 Ų5064 Ų6426%0.25630%0.299SS..Hα-helixtrans-62.3-43.5178.2-69.5169.8000110.5E48 A50 M54 T55 R56E48-I52 HydrophobicContact CG-CD1 3.92Å; E48-I52 HydrophobicContact CG-CG1 4.46Å; E48-I52 VanDerWaalsContact O-CG1 3.31Å; E48-I52 WeakPolarHBondContact O-CG1 3.49Å; E48-I52 PolarHBondContact O-N 2.62Å; A50-I52 PolarHBondContact O-N 2.94Å; I52-M54 PolarHBondContact O-N 3.17Å; I52-T55 WeakPolarHBondContact CA-OG1 3.47Å; I52-T55 PolarHBondContact O-N 3.06Å; I52-T55 PolarHBondContact O-OG1 2.91Å; I52-R56 HydrophobicContact CG2-CG 4.18Å; I52-R56 VanDerWaalsContact CG2-NE 3.27Å; I52-R56 WeakPolarHBondContact O-CB 3.14Å; I52-R56 VanDerWaalsContact O-CG 3.26Å; I52-R56 WeakPolarHBondContact O-CG 3.35Å; I52-R56 PolarHBondContact O-N 2.99Å
53A97Very high95.8Very high18 Ų1871 Ų7115%0.14933%0.329CS..Hα-helixtrans-58.6-47.9178.300000112.4S49 A50 Y57 K124S49-A53 WeakPolarHBondContact O-CB 3.26Å; S49-A53 PolarHBondContact O-N 3.14Å; A50-A53 PolarHBondContact O-N 2.84Å; A53-Y57 PolarHBondContact O-N 3.32Å; A53-Y57 VanDerWaalsContact O-N 3.14Å; A53-K124 HydrophobicContact CB-CG 4.47Å
54M96.3Very high95.7Very high0 Ų071.2 Ų71.20%033%0.33CS..Hα-helixtrans-62.8-51.5178-66-177.8-71.800112A50 R51 I52 R56 Y57 M58 V64 F104 V106 A117 L118 A121A50-M54 WeakPolarHBondContact O-CG 3.33Å; A50-M54 PolarHBondContact O-N 3.17Å; A50-M54 VanDerWaalsContact O-N 3.11Å; R51-M54 PolarHBondContact O-N 2.97Å; I52-M54 PolarHBondContact O-N 3.17Å; M54-R56 VanDerWaalsContact C-N 3.29Å; M54-R56 PolarHBondContact O-N 2.84Å; M54-Y57 PolarHBondContact O-N 3.48Å; M54-Y57 VanDerWaalsContact O-N 3.17Å; M54-M58 HydrophobicContact CB-SD 4.48Å; M54-M58 WeakPolarHBondContact O-CB 3.36Å; M54-M58 VanDerWaalsContact O-CG 3.3Å; M54-M58 WeakPolarHBondContact O-CG 3.1Å; M54-M58 PolarHBondContact O-N 2.82Å; M54-V64 HydrophobicContact CE-CG1 3.71Å; M54-V64 HydrophobicContact SD-CG1 4.4Å; M54-F104 HydrophobicContact CE-CB 3.92Å; M54-F104 HydrophobicContact CE-CD1 3.48Å; M54-F104 VanDerWaalsContact CE-CD1 3.48Å; M54-F104 HydrophobicContact CE-CD2 4.03Å; M54-F104 HydrophobicContact CE-CE1 3.91Å; M54-F104 HydrophobicContact CE-CE2 4.41Å; M54-F104 HydrophobicContact CE-CG 3.54Å; M54-F104 HydrophobicContact CE-CZ 4.36Å; M54-F104 HydrophobicContact SD-CB 4.14Å; M54-F104 HydrophobicContact SD-CG 4.29Å; M54-V106 HydrophobicContact SD-CG2 4.25Å; M54-A117 HydrophobicContact CB-CB 4.39Å; M54-A117 HydrophobicContact CG-CB 4.41Å; M54-A117 WeakPolarHBondContact CG-O 3.32Å; M54-L118 HydrophobicContact SD-CD2 3.55Å; M54-L118 VanDerWaalsContact SD-CD2 3.55Å; M54-A121 HydrophobicContact CE-CB 4.4Å; M54-A121 HydrophobicContact CG-CB 3.55Å; M54-A121 HydrophobicContact SD-CB 3.84Å
55T95.6Very high95.8Very high35 Ų3574.1 Ų74.122%0.21534%0.339CS..Hα-helixtrans-64.8-31.9-176.251.20000113.1R51 I52 K59 R60 V64R51-T55 WeakPolarHBondContact O-CG2 3.24Å; R51-T55 PolarHBondContact O-N 3.04Å; R51-T55 PolarHBondContact O-OG1 3.06Å; I52-T55 WeakPolarHBondContact CA-OG1 3.47Å; I52-T55 PolarHBondContact O-N 3.06Å; I52-T55 PolarHBondContact O-OG1 2.91Å; T55-K59 PolarHBondContact O-N 2.81Å; T55-R60 PolarHBondContact O-N 2.81Å; T55-V64 HydrophobicContact CG2-CG2 4.09Å
56R96.1Very high95.8Very high195 Ų19568.4 Ų68.474%0.73632%0.321SS*.Hα-helixtrans-67.4-47.2172.1-76.8-180-178-178.22111.7I52 M54 K59I52-R56 HydrophobicContact CG2-CG 4.18Å; I52-R56 VanDerWaalsContact CG2-NE 3.27Å; I52-R56 WeakPolarHBondContact O-CB 3.14Å; I52-R56 VanDerWaalsContact O-CG 3.26Å; I52-R56 WeakPolarHBondContact O-CG 3.35Å; I52-R56 PolarHBondContact O-N 2.99Å; M54-R56 VanDerWaalsContact C-N 3.29Å; M54-R56 PolarHBondContact O-N 2.84Å; R56-K59 PolarHBondContact O-N 3.03Å; R56-K59 VanDerWaalsContact O-N 3.12Å
57Y96Very high95.8Very high93 Ų9367.6 Ų67.637%0.36532%0.317SS..Hα-helixtrans-64.2-42.2-179.3-171.6-96.3000112.1A53 M54 K59 V113 E116 A117 L120A53-Y57 PolarHBondContact O-N 3.32Å; A53-Y57 VanDerWaalsContact O-N 3.14Å; M54-Y57 PolarHBondContact O-N 3.48Å; M54-Y57 VanDerWaalsContact O-N 3.17Å; Y57-K59 PolarHBondContact O-N 2.86Å; Y57-K59 VanDerWaalsContact O-N 3.14Å; Y57-V113 HydrophobicContact CD1-CG1 4.22Å; Y57-V113 HydrophobicContact CE1-CG1 4.12Å; Y57-E116 HydrophobicContact CD1-CB 4.38Å; Y57-E116 HydrophobicContact CD1-CG 4.38Å; Y57-E116 HydrophobicContact CD2-CG 4.31Å; Y57-E116 HydrophobicContact CE1-CB 3.59Å; Y57-E116 HydrophobicContact CE1-CG 3.65Å; Y57-E116 HydrophobicContact CE2-CB 4.44Å; Y57-E116 HydrophobicContact CE2-CG 3.57Å; Y57-E116 VanDerWaalsContact OH-CG 3.24Å; Y57-E116 WeakPolarHBondContact OH-CG 3.22Å; Y57-A117 HydrophobicContact CD1-CB 3.89Å; Y57-A117 HydrophobicContact CG-CB 4.5Å; Y57-L120 HydrophobicContact CD2-CD1 3.45Å; Y57-L120 VanDerWaalsContact CD2-CD1 3.45Å; Y57-L120 HydrophobicContact CE2-CD1 4.2Å; Y57-L120 HydrophobicContact CG-CD1 3.79Å
58M94.6Very high95.7Very high10 Ų1068.1 Ų68.15%0.04932%0.319CS..THydrogen-bonded Turntrans-72.70.6176.3-61.7166.369.600113.6M54 R60 G61 V64 V106 V109 V113 A117M54-M58 HydrophobicContact CB-SD 4.48Å; M54-M58 WeakPolarHBondContact O-CB 3.36Å; M54-M58 VanDerWaalsContact O-CG 3.3Å; M54-M58 WeakPolarHBondContact O-CG 3.1Å; M54-M58 PolarHBondContact O-N 2.82Å; M58-R60 PolarHBondContact O-N 2.86Å; M58-G61 VanDerWaalsContact CE-O 3.24Å; M58-G61 WeakPolarHBondContact CE-O 3.47Å; M58-G61 WeakPolarHBondContact O-CA 3.47Å; M58-G61 PolarHBondContact O-N 3.25Å; M58-V64 HydrophobicContact CE-CG2 4.32Å; M58-V64 HydrophobicContact SD-CG2 3.92Å; M58-V106 HydrophobicContact CE-CG1 3.32Å; M58-V106 HydrophobicContact SD-CG1 3.77Å; M58-V109 HydrophobicContact CB-CG1 4.46Å; M58-V109 HydrophobicContact CE-CB 4.27Å; M58-V109 HydrophobicContact CE-CG1 3.43Å; M58-V109 VanDerWaalsContact CE-CG1 3.43Å; M58-V109 HydrophobicContact CE-CG2 3.78Å; M58-V109 HydrophobicContact CG-CG1 4.35Å; M58-V113 HydrophobicContact CG-CG1 4.11Å; M58-A117 HydrophobicContact CG-CB 3.96Å; M58-A117 HydrophobicContact SD-CB 4.3Å
59K93.5Very high95.7Very high189 Ų18970.4 Ų70.482%0.82233%0.329SS*.THydrogen-bonded Turntrans52.238.2-178.1-57.4179-177.7175.80113.6T55 R56 Y57 G61T55-K59 PolarHBondContact O-N 2.81Å; R56-K59 PolarHBondContact O-N 3.03Å; R56-K59 VanDerWaalsContact O-N 3.12Å; Y57-K59 PolarHBondContact O-N 2.86Å; Y57-K59 VanDerWaalsContact O-N 3.14Å; K59-G61 PolarHBondContact O-N 3.07Å
60R87.5Confident95.7Very high236 Ų23668.3 Ų68.389%0.89131%0.314SS*.THydrogen-bonded Turntrans62.710-173.5-49.2179.7179.6-165.70.9115.3T55 M58T55-R60 PolarHBondContact O-N 2.81Å; M58-R60 PolarHBondContact O-N 2.86Å
61G90.1Very high95.6Very high34 Ų3473.1 Ų73.135%0.35134%0.336SS..  trans-75.4161.4166.700000111.8M58 K59M58-G61 VanDerWaalsContact CE-O 3.24Å; M58-G61 WeakPolarHBondContact CE-O 3.47Å; M58-G61 WeakPolarHBondContact O-CA 3.47Å; M58-G61 PolarHBondContact O-N 3.25Å; K59-G61 PolarHBondContact O-N 3.07Å
62G93.5Very high95.6Very high38 Ų3869.6 Ų69.639%0.39232%0.324SS..SBendtrans66.9-169.2178.400000115A107G62-A107 CarbonylContact C-O 3.51Å; G62-A107 WeakPolarHBondContact CA-O 3.08Å
63K96Very high95.6Very high146 Ų14667.4 Ų67.464%0.63531%0.313SS*.EExtended strand (participates in β ladder)trans-127.3141.8178.3-69.2-179.3-178.1174.50109.9W65 V106 A107K63-W65 HydrophobicContact CB-CE3 4.31Å; K63-W65 HydrophobicContact CB-CH2 3.49Å; K63-W65 VanDerWaalsContact CB-CH2 3.49Å; K63-W65 HydrophobicContact CB-CZ2 4.07Å; K63-W65 HydrophobicContact CB-CZ3 3.62Å; K63-W65 HydrophobicContact CD-CH2 4.05Å; K63-W65 HydrophobicContact CD-CZ2 4.15Å; K63-W65 HydrophobicContact CG-CH2 4.4Å; K63-V106 WeakPolarHBondContact O-CA 3.29Å; K63-A107 PolarHBondContact N-O 2.72Å; K63-A107 PolarHBondContact O-N 3.05Å
64V96.7Very high95.5Very high40 Ų4070.2 Ų70.224%0.24232%0.32CS..EExtended strand (participates in β ladder)trans-122.1123.7178.3-179.90000108.8M54 T55 M58 E105 V106M54-V64 HydrophobicContact CE-CG1 3.71Å; M54-V64 HydrophobicContact SD-CG1 4.4Å; T55-V64 HydrophobicContact CG2-CG2 4.09Å; M58-V64 HydrophobicContact CE-CG2 4.32Å; M58-V64 HydrophobicContact SD-CG2 3.92Å; V64-E105 CarbonylContact C-O 3.51Å; V64-E105 WeakPolarHBondContact CA-O 3.46Å; V64-V106 HydrophobicContact CG2-CG2 4.41Å
65W97.7Very high95.5Very high76 Ų7671.4 Ų71.429%0.28833%0.328SS..EExtended strand (participates in β ladder)trans-103.9135.1171.7-65.5-99.6000110.2F29 K63 F104 E105 A107F29-W65 HydrophobicContact CB-CD2 3.81Å; F29-W65 HydrophobicContact CB-CE3 4.42Å; F29-W65 HydrophobicContact CB-CG 3.98Å; F29-W65 HydrophobicContact CB-CZ2 4.14Å; F29-W65 AromaticContact CD2-CD1 3.89Å; F29-W65 HydrophobicContact CD2-CG 4.22Å; F29-W65 HydrophobicContact CG-CG 4.42Å; K63-W65 HydrophobicContact CB-CE3 4.31Å; K63-W65 HydrophobicContact CB-CH2 3.49Å; K63-W65 VanDerWaalsContact CB-CH2 3.49Å; K63-W65 HydrophobicContact CB-CZ2 4.07Å; K63-W65 HydrophobicContact CB-CZ3 3.62Å; K63-W65 HydrophobicContact CD-CH2 4.05Å; K63-W65 HydrophobicContact CD-CZ2 4.15Å; K63-W65 HydrophobicContact CG-CH2 4.4Å; W65-F104 CarbonylContact O-C 3.51Å; W65-F104 VanDerWaalsContact O-CA 3.27Å; W65-F104 WeakPolarHBondContact O-CA 3.5Å; W65-E105 HydrophobicContact CB-CB 4.21Å; W65-E105 HydrophobicContact CE3-CB 4.35Å; W65-E105 PolarHBondContact N-O 3.29Å; W65-E105 PolarHBondContact O-N 3.02Å; W65-A107 HydrophobicContact CH2-CB 3.89Å; W65-A107 HydrophobicContact CZ3-CB 3.61Å
66I97.6Very high95.5Very high55 Ų5574.7 Ų74.728%0.28234%0.339SS..EExtended strand (participates in β ladder)trans-98.6114.6171.5-51.5-179.2000107.2L2 I47 R51 I68 F104L2-I66 HydrophobicContact CD1-CD1 4.26Å; L2-I66 HydrophobicContact CD1-CG2 4.35Å; I47-I66 HydrophobicContact CG2-CD1 4.19Å; I47-I66 HydrophobicContact CG2-CG2 3.74Å; R51-I66 HydrophobicContact CB-CD1 4.4Å; R51-I66 HydrophobicContact CG-CD1 4.11Å; I66-I68 HydrophobicContact CG2-CG1 4.29Å; I66-I68 VanDerWaalsContact CG2-O 3.3Å; I66-I68 WeakPolarHBondContact CG2-O 3.13Å; I66-F104 HydrophobicContact CB-CD1 4.29Å; I66-F104 HydrophobicContact CB-CE1 4.25Å; I66-F104 HydrophobicContact CD1-CE1 4.41Å; I66-F104 HydrophobicContact CG1-CD1 4.01Å; I66-F104 HydrophobicContact CG1-CE1 3.88Å; I66-F104 HydrophobicContact CG2-CD1 4.21Å; I66-F104 HydrophobicContact CG2-CE1 3.81Å
67K97.2Very high95.5Very high33 Ų3368.5 Ų68.514%0.14332%0.317CS..  trans-93.5-3.6-175.4-64.1-68.5-68.1-130.50113.6T28 F29 R101 I102 L103 E105T28-K67 VanDerWaalsContact CB-NZ 3.33Å; T28-K67 PolarHBondContact OG1-NZ 2.93Å; F29-K67 HydrophobicContact CD2-CD 3.89Å; F29-K67 HydrophobicContact CE2-CD 3.94Å; F29-K67 VanDerWaalsContact CE2-NZ 3.33Å; K67-R101 PolarHBondContact O-NH2 2.83Å; K67-I102 VanDerWaalsContact CB-O 3.26Å; K67-I102 WeakPolarHBondContact CB-O 3.37Å; K67-I102 HydrophobicContact CG-CG2 4.18Å; K67-L103 PolarHBondContact N-O 3.26Å; K67-E105 HydrophobicContact CD-CG 4.21Å; K67-E105 VanDerWaalsContact CD-OE1 3.24Å; K67-E105 WeakPolarHBondContact CD-OE1 3.48Å; K67-E105 WeakPolarHBondContact CE-OE1 3.3Å; K67-E105 HydrophobicContact CG-CG 3.84Å; K67-E105 IonicContact NZ-OE1 2.98Å; K67-E105 PolarHBondContact NZ-OE1 3.34Å; K67-E105 IonicContact NZ-OE2 3.18Å
68I97.2Very high95.4Very high11 Ų1168.4 Ų68.46%0.05633%0.328CS..  trans-118.6146.4177.756.2163000110.6I42 I47 I66 A95 V97 R101 L103I42-I68 HydrophobicContact CB-CD1 4.35Å; I42-I68 HydrophobicContact CD1-CD1 4.09Å; I42-I68 HydrophobicContact CG2-CD1 4.25Å; I47-I68 HydrophobicContact CD1-CD1 3.81Å; I47-I68 HydrophobicContact CD1-CG1 4.1Å; I47-I68 HydrophobicContact CG1-CD1 3.8Å; I47-I68 HydrophobicContact CG1-CG1 4.37Å; I66-I68 HydrophobicContact CG2-CG1 4.29Å; I66-I68 VanDerWaalsContact CG2-O 3.3Å; I66-I68 WeakPolarHBondContact CG2-O 3.13Å; I68-A95 HydrophobicContact CB-CB 4.25Å; I68-A95 HydrophobicContact CD1-CB 4.32Å; I68-V97 HydrophobicContact CD1-CG2 4.28Å; I68-V97 HydrophobicContact CG2-CG2 4.2Å; I68-R101 HydrophobicContact CG2-CG 4.1Å; I68-L103 HydrophobicContact CD1-CD2 4.22Å; I68-L103 HydrophobicContact CG2-CD2 3.85Å
69F97.8Very high95.4Very high95 Ų9574.2 Ų74.242%0.41736%0.358SS..  trans-132.7133.1179.3-176.1-99.3000110.2L2 P4 H71 A95L2-F69 HydrophobicContact CB-CD2 4.46Å; L2-F69 HydrophobicContact CB-CE2 4.24Å; P4-F69 HydrophobicContact CB-CE1 4.43Å; P4-F69 HydrophobicContact CG-CE1 3.96Å; P4-F69 HydrophobicContact CG-CZ 4.39Å; F69-H71 VanDerWaalsContact C-N 3.34Å; F69-H71 HydrophobicContact CD1-CB 4.02Å; F69-H71 HydrophobicContact CE1-CB 4.46Å; F69-H71 PolarHBondContact O-N 2.94Å; F69-H71 PolarHBondContact O-ND1 2.85Å; F69-A95 WeakPolarHBondContact O-CB 3.46Å
70P97.3Very high95.5Very high0 Ų075 Ų750%037%0.365CS..  trans-7883.8-178.833.3-35.4000110.8L2 I47 W93 I94L2-P70 HydrophobicContact CB-CG 3.65Å; L2-P70 WeakPolarHBondContact O-CG 3.49Å; I47-P70 HydrophobicContact CD1-CB 4.42Å; I47-P70 HydrophobicContact CD1-CG 4.31Å; P70-W93 HydrophobicContact CB-CB 3.85Å; P70-W93 HydrophobicContact CG-CB 4.46Å; P70-I94 CarbonylContact C-O 3.59Å; P70-I94 VanDerWaalsContact CA-C 3.47Å; P70-I94 VanDerWaalsContact CA-O 3.27Å; P70-I94 WeakPolarHBondContact CA-O 3.45Å
71H95.6Very high95.9Very high100 Ų10067.2 Ų67.246%0.46334%0.344SS..  trans-94-15-174.957.4-79.3000113.9F69 W93 I94F69-H71 VanDerWaalsContact C-N 3.34Å; F69-H71 HydrophobicContact CD1-CB 4.02Å; F69-H71 HydrophobicContact CE1-CB 4.46Å; F69-H71 PolarHBondContact O-N 2.94Å; F69-H71 PolarHBondContact O-ND1 2.85Å; H71-W93 WeakPolarHBondContact O-CZ3 3.39Å; H71-I94 PolarHBondContact N-O 2.97Å
72T96.4Very high96.2Very high7 Ų776.6 Ų76.64%0.04337%0.368CS..EExtended strand (participates in β ladder)trans-102.2125-176.7-54.70000110.2P15 W93 I94P15-T72 HydrophobicContact CG-CG2 4.05Å; T72-W93 WeakPolarHBondContact O-CA 3.31Å; T72-I94 HydrophobicContact CG2-CD1 4.45Å; T72-I94 HydrophobicContact CG2-CG1 4.35Å; T72-I94 PolarHBondContact N-O 3.25Å; T72-I94 VanDerWaalsContact N-O 3.09Å; T72-I94 VanDerWaalsContact O-CG1 3.28Å; T72-I94 WeakPolarHBondContact O-CG1 3.39Å; T72-I94 PolarHBondContact O-N 3.34Å
73P97.2Very high96.3Very high5 Ų583 Ų833%0.03239%0.39CS..EExtended strand (participates in β ladder)trans-75.4137.2174.830.2-30.9000110.1R10 Q12 V90 G92 W93R10-P73 WeakPolarHBondContact O-CG 3.49Å; Q12-P73 HydrophobicContact CB-CG 4.18Å; Q12-P73 VanDerWaalsContact CD-CD 3.47Å; Q12-P73 HydrophobicContact CG-CG 3.92Å; P73-V90 HydrophobicContact CB-CG1 3.68Å; P73-V90 HydrophobicContact CB-CG2 4.13Å; P73-G92 WeakPolarHBondContact CA-O 3.27Å; P73-W93 HydrophobicContact CB-CD2 4.42Å; P73-W93 HydrophobicContact CB-CE3 4.05Å; P73-W93 HydrophobicContact CB-CH2 3.97Å; P73-W93 HydrophobicContact CB-CZ2 4.38Å; P73-W93 HydrophobicContact CB-CZ3 3.81Å; P73-W93 HydrophobicContact CG-CH2 4.27Å; P73-W93 HydrophobicContact CG-CZ3 4Å
74Y94.7Very high96.2Very high76 Ų7678.2 Ų78.230%0.29838%0.383SS..EExtended strand (participates in β ladder)trans-107.6141.316878.3-84.5000110.3E91 G92 I94Y74-E91 HydrophobicContact CD2-CB 4.15Å; Y74-E91 HydrophobicContact CE2-CB 3.59Å; Y74-E91 HydrophobicContact CE2-CG 3.78Å; Y74-E91 PolarHBondContact O-N 2.86Å; Y74-G92 WeakPolarHBondContact CD1-O 3.21Å; Y74-G92 PolarHBondContact N-O 2.92Å; Y74-I94 HydrophobicContact CD1-CG2 3.74Å; Y74-I94 HydrophobicContact CE1-CG2 4.31Å; Y74-I94 HydrophobicContact CG-CG2 4.39Å
75T96.4Very high96Very high26 Ų2682 Ų8216%0.1642%0.418CS..EExtended strand (participates in β ladder)trans-113.2142.1-175.258.50000111.5R11 K87 A89 V90R11-T75 HydrophobicContact CB-CG2 4.45Å; R11-T75 HydrophobicContact CG-CG2 4.13Å; T75-K87 HydrophobicContact CG2-CD 4.43Å; T75-K87 HydrophobicContact CG2-CG 4.3Å; T75-K87 VanDerWaalsContact OG1-CE 3.23Å; T75-K87 WeakPolarHBondContact OG1-CE 3.42Å; T75-A89 CarbonylContact C-O 3.57Å; T75-A89 WeakPolarHBondContact CA-O 3.24Å; T75-A89 VanDerWaalsContact CB-O 3.32Å; T75-A89 WeakPolarHBondContact CB-O 3.43Å; T75-V90 HydrophobicContact CG2-CG2 4.1Å
76K95.8Very high95.8Very high104 Ų10481 Ų8145%0.45243%0.432SS..EExtended strand (participates in β ladder)trans-126.7140.8174.5-162.9-175.8172.5-176.50109.2G88 A89 E91K76-G88 WeakPolarHBondContact O-CA 3.4Å; K76-A89 PolarHBondContact N-O 3.09Å; K76-A89 PolarHBondContact O-N 2.98Å; K76-E91 HydrophobicContact CB-CB 4.08Å; K76-E91 HydrophobicContact CB-CG 4.34Å
77K95.8Very high95.7Very high65 Ų6582 Ų8228%0.28343%0.434SS..PPolyproline II helixtrans-75.1150.5167.7-79.4-174.4163-1680109.2V81 R82 G84 G86K77-V81 HydrophobicContact CB-CG2 4.07Å; K77-V81 HydrophobicContact CD-CG2 4.31Å; K77-R82 PolarHBondContact NZ-O 3Å; K77-G84 VanDerWaalsContact CE-O 3.29Å; K77-G84 WeakPolarHBondContact CE-O 3.47Å; K77-G84 PolarHBondContact NZ-O 3.02Å; K77-G86 WeakPolarHBondContact CE-O 3.35Å
78P95.4Very high95.6Very high90 Ų9080.9 Ų80.958%0.58443%0.432SS*.PPolyproline II helixtrans-52.7155.3170.8-23.433.4000111.4V81P78-V81 HydrophobicContact CB-CG1 3.95Å; P78-V81 HydrophobicContact CG-CG1 4.44Å; P78-V81 WeakPolarHBondContact O-CG2 3.5Å
79L95.1Very high95.5Very high132 Ų13283.1 Ų83.169%0.69145%0.452SS*.THydrogen-bonded Turntrans-65.7152.1172.7-61.3175.7000109.3V81L79-V81 VanDerWaalsContact C-N 3.27Å; L79-V81 PolarHBondContact O-N 3.09Å
80E94.8Very high95.4Very high205 Ų20580.9 Ų80.996%0.95845%0.446SS*.THydrogen-bonded Turntrans65.916.8172.2-57.3169.9-174.900116.4
81V95.4Very high95.3Very high74 Ų7486.2 Ų86.245%0.44847%0.471SS..PPolyproline II helixtrans-100.8150174.1-53.80000112.7K77 P78 L79K77-V81 HydrophobicContact CB-CG2 4.07Å; K77-V81 HydrophobicContact CD-CG2 4.31Å; P78-V81 HydrophobicContact CB-CG1 3.95Å; P78-V81 HydrophobicContact CG-CG1 4.44Å; P78-V81 WeakPolarHBondContact O-CG2 3.5Å; L79-V81 VanDerWaalsContact C-N 3.27Å; L79-V81 PolarHBondContact O-N 3.09Å
82R95.9Very high95.2Very high230 Ų23082.1 Ų82.187%0.86846%0.456SS*.PPolyproline II helixtrans-69.7166.8174.2-65.6-176.7178.7173.3-0.1112.4K77K77-R82 PolarHBondContact NZ-O 3Å
83M96.5Very high95.3Very high173 Ų17383.7 Ų83.785%0.85246%0.461SS*.SBendtrans-65.9163170.1-60.8-57.4161.100110.9
84G92.9Very high95.3Very high46 Ų4683.7 Ų83.747%0.47446%0.46SS..  trans87.9-157.6-17200000115.3K77 G86K77-G84 VanDerWaalsContact CE-O 3.29Å; K77-G84 WeakPolarHBondContact CE-O 3.47Å; K77-G84 PolarHBondContact NZ-O 3.02Å; G84-G86 PolarHBondContact O-N 2.83Å; G84-G86 VanDerWaalsContact O-N 3.1Å
85A92.7Very high95.4Very high120 Ų12080.1 Ų80.199%0.99245%0.447SS*.SBendtrans57.419.4179.900000116.6
86G93.7Very high95.4Very high55 Ų5580.7 Ų80.757%0.56745%0.45SS*.SBendtrans84.1-172.6177.900000114.9K77 G84K77-G86 WeakPolarHBondContact CE-O 3.35Å; G84-G86 PolarHBondContact O-N 2.83Å; G84-G86 VanDerWaalsContact O-N 3.1Å
87K95.3Very high95.5Very high74 Ų7475.7 Ų75.732%0.32243%0.429SS..PPolyproline II helixtrans-81.5138.3-175.1-172.4169.9-178.3172.30111.4R11 Q12 T75R11-K87 HydrophobicContact CB-CD 4.13Å; R11-K87 VanDerWaalsContact CZ-O 3.24Å; R11-K87 PolarHBondContact NH1-O 2.94Å; Q12-K87 PolarHBondContact O-NZ 2.74Å; T75-K87 HydrophobicContact CG2-CD 4.43Å; T75-K87 HydrophobicContact CG2-CG 4.3Å; T75-K87 VanDerWaalsContact OG1-CE 3.23Å; T75-K87 WeakPolarHBondContact OG1-CE 3.42Å
88G95.1Very high95.5Very high11 Ų1175.3 Ų75.311%0.11343%0.427CS..PPolyproline II helixtrans-60.7170.617900000114.9R11 K76R11-G88 PolarHBondContact NE-O 3.42Å; R11-G88 VanDerWaalsContact NE-O 3.14Å; K76-G88 WeakPolarHBondContact O-CA 3.4Å
89A95.3Very high95.6Very high57 Ų5772.8 Ų72.847%0.47141%0.41SS..EExtended strand (participates in β ladder)trans-68.2158.9174.100000111.3T75 K76 E91T75-A89 CarbonylContact C-O 3.57Å; T75-A89 WeakPolarHBondContact CA-O 3.24Å; T75-A89 VanDerWaalsContact CB-O 3.32Å; T75-A89 WeakPolarHBondContact CB-O 3.43Å; K76-A89 PolarHBondContact N-O 3.09Å; K76-A89 PolarHBondContact O-N 2.98Å; A89-E91 PolarHBondContact O-N 3.42Å
90V95.8Very high95.7Very high49 Ų4967.3 Ų67.330%0.29739%0.386SS..EExtended strand (participates in β ladder)trans-74.8118.4175.2177.60000108.2R10 R11 P73 T75R10-V90 WeakPolarHBondContact O-CG2 3.44Å; R11-V90 HydrophobicContact CG-CG2 4.18Å; P73-V90 HydrophobicContact CB-CG1 3.68Å; P73-V90 HydrophobicContact CB-CG2 4.13Å; T75-V90 HydrophobicContact CG2-CG2 4.1Å
91E95.2Very high95.8Very high112 Ų11261 Ų6152%0.52335%0.354SS..EExtended strand (participates in β ladder)trans-92.4-27-178.1-171.671.9176.200111.4Y74 K76 A89Y74-E91 HydrophobicContact CD2-CB 4.15Å; Y74-E91 HydrophobicContact CE2-CB 3.59Å; Y74-E91 HydrophobicContact CE2-CG 3.78Å; Y74-E91 PolarHBondContact O-N 2.86Å; K76-E91 HydrophobicContact CB-CB 4.08Å; K76-E91 HydrophobicContact CB-CG 4.34Å; A89-E91 PolarHBondContact O-N 3.42Å
92G94.9Very high95.9Very high14 Ų1457.6 Ų57.614%0.14433%0.333CS..EExtended strand (participates in β ladder)trans176.4-160.2174.800000113.1P73 Y74P73-G92 WeakPolarHBondContact CA-O 3.27Å; Y74-G92 WeakPolarHBondContact CD1-O 3.21Å; Y74-G92 PolarHBondContact N-O 2.92Å
93W97.1Very high96Very high40 Ų4046.6 Ų46.615%0.15229%0.291CS..EExtended strand (participates in β ladder)trans-127.5139.6-171.7-60.485.9000111.5L3 P4 V7 S44 P70 H71 T72 P73L3-W93 HydrophobicContact CB-CG 4.3Å; P4-W93 VanDerWaalsContact CD-CD2 3.5Å; P4-W93 HydrophobicContact CG-CD2 4.14Å; P4-W93 HydrophobicContact CG-CE3 3.63Å; P4-W93 HydrophobicContact CG-CH2 3.98Å; P4-W93 HydrophobicContact CG-CZ2 4.41Å; P4-W93 HydrophobicContact CG-CZ3 3.54Å; V7-W93 HydrophobicContact CB-CH2 4.29Å; V7-W93 HydrophobicContact CG1-CH2 3.4Å; V7-W93 HydrophobicContact CG1-CZ2 4.38Å; V7-W93 HydrophobicContact CG1-CZ3 3.86Å; V7-W93 HydrophobicContact CG2-CH2 4.03Å; S44-W93 PolarHBondContact N-O 2.77Å; S44-W93 VanDerWaalsContact N-O 3.16Å; P70-W93 HydrophobicContact CB-CB 3.85Å; P70-W93 HydrophobicContact CG-CB 4.46Å; H71-W93 WeakPolarHBondContact O-CZ3 3.39Å; T72-W93 WeakPolarHBondContact O-CA 3.31Å; P73-W93 HydrophobicContact CB-CD2 4.42Å; P73-W93 HydrophobicContact CB-CE3 4.05Å; P73-W93 HydrophobicContact CB-CH2 3.97Å; P73-W93 HydrophobicContact CB-CZ2 4.38Å; P73-W93 HydrophobicContact CB-CZ3 3.81Å; P73-W93 HydrophobicContact CG-CH2 4.27Å; P73-W93 HydrophobicContact CG-CZ3 4Å
94I97Very high96.1Very high4 Ų438.4 Ų38.42%0.02125%0.251CS..EExtended strand (participates in β ladder)trans-125.4150.1179.855.9162.5000111.1P15 W41 I42 T43 P70 H71 T72 Y74P15-I94 HydrophobicContact CG-CD1 4.42Å; W41-I94 HydrophobicContact CB-CB 4.2Å; W41-I94 HydrophobicContact CB-CD1 3.81Å; W41-I94 HydrophobicContact CB-CG2 4.21Å; W41-I94 HydrophobicContact CD2-CD1 3.37Å; W41-I94 HydrophobicContact CE3-CD1 3.66Å; W41-I94 HydrophobicContact CG-CD1 3.45Å; W41-I94 VanDerWaalsContact CG-CD1 3.45Å; W41-I94 HydrophobicContact CZ3-CD1 4.39Å; I42-I94 CarbonylContact O-C 3.59Å; I42-I94 VanDerWaalsContact O-CA 3.32Å; I42-I94 WeakPolarHBondContact O-CA 3.27Å; T43-I94 HydrophobicContact CG2-CG2 4.09Å; P70-I94 CarbonylContact C-O 3.59Å; P70-I94 VanDerWaalsContact CA-C 3.47Å; P70-I94 VanDerWaalsContact CA-O 3.27Å; P70-I94 WeakPolarHBondContact CA-O 3.45Å; H71-I94 PolarHBondContact N-O 2.97Å; T72-I94 HydrophobicContact CG2-CD1 4.45Å; T72-I94 HydrophobicContact CG2-CG1 4.35Å; T72-I94 PolarHBondContact N-O 3.25Å; T72-I94 VanDerWaalsContact N-O 3.09Å; T72-I94 VanDerWaalsContact O-CG1 3.28Å; T72-I94 WeakPolarHBondContact O-CG1 3.39Å; T72-I94 PolarHBondContact O-N 3.34Å; Y74-I94 HydrophobicContact CD1-CG2 3.74Å; Y74-I94 HydrophobicContact CE1-CG2 4.31Å; Y74-I94 HydrophobicContact CG-CG2 4.39Å
95A97.3Very high96.3Very high2 Ų236.2 Ų36.22%0.01723%0.228CC..EExtended strand (participates in β ladder)trans-99.9127.9163.200000108.4I42 I47 I68 F69 V97I42-A95 PolarHBondContact N-O 3.12Å; I42-A95 PolarHBondContact O-N 3.48Å; I47-A95 HydrophobicContact CD1-CB 4.36Å; I68-A95 HydrophobicContact CB-CB 4.25Å; I68-A95 HydrophobicContact CD1-CB 4.32Å; F69-A95 WeakPolarHBondContact O-CB 3.46Å; A95-V97 PolarHBondContact O-N 3.28Å
96V96.7Very high96.5Very high37 Ų3730.5 Ų30.522%0.22418%0.181CC..EExtended strand (participates in β ladder)trans-80.6114.2173.7-175.30000108.3P15P15-V96 HydrophobicContact CB-CG2 3.69Å; P15-V96 HydrophobicContact CG-CG2 3.36Å
97V97.4Very high96.6Very high0 Ų028.5 Ų28.50%016%0.159CC..EExtended strand (participates in β ladder)trans-108.9132.2179.1171.40000109.6A36 T39 S40 I42 I68 A95 R101 L103A36-V97 HydrophobicContact CB-CG1 3.44Å; A36-V97 VanDerWaalsContact CB-CG1 3.44Å; T39-V97 VanDerWaalsContact CA-O 3.28Å; T39-V97 WeakPolarHBondContact CA-O 3.48Å; T39-V97 WeakPolarHBondContact CB-O 3.38Å; T39-V97 PolarHBondContact OG1-O 2.89Å; S40-V97 PolarHBondContact N-O 2.9Å; S40-V97 VanDerWaalsContact N-O 3.09Å; S40-V97 PolarHBondContact O-N 3.14Å; I42-V97 HydrophobicContact CB-CG2 4.48Å; I42-V97 HydrophobicContact CD1-CB 4.06Å; I42-V97 HydrophobicContact CD1-CG1 4.35Å; I42-V97 HydrophobicContact CD1-CG2 3.57Å; I42-V97 HydrophobicContact CG1-CB 4.19Å; I42-V97 HydrophobicContact CG1-CG2 3.8Å; I68-V97 HydrophobicContact CD1-CG2 4.28Å; I68-V97 HydrophobicContact CG2-CG2 4.2Å; A95-V97 PolarHBondContact O-N 3.28Å; V97-R101 HydrophobicContact CG1-CB 4.42Å; V97-L103 HydrophobicContact CB-CD2 4.39Å; V97-L103 HydrophobicContact CG1-CD2 3.66Å; V97-L103 HydrophobicContact CG2-CD2 3.78Å
98K96.9Very high96.6Very high56 Ų5627.8 Ų27.824%0.24317%0.173CC..  trans-120.3157.2176.5-64.8-172.4-176.7-171.40109.7T18 R20 G100 R101T18-K98 VanDerWaalsContact O-CE 3.25Å; T18-K98 WeakPolarHBondContact O-CE 3.32Å; T18-K98 PolarHBondContact O-NZ 3.3Å; R20-K98 WeakPolarHBondContact O-CD 3.48Å; K98-G100 PolarHBondContact O-N 2.94Å; K98-R101 WeakPolarHBondContact O-CB 3.48Å; K98-R101 PolarHBondContact O-N 3.44Å
99P97.3Very high96.6Very high37 Ų3728.6 Ų28.624%0.2418%0.175CC..THydrogen-bonded Turntrans-51.7136.5177-27.735.7000112.4S21 A36 T37S21-P99 VanDerWaalsContact CB-O 3.29Å; S21-P99 WeakPolarHBondContact CB-O 3.35Å; S21-P99 PolarHBondContact N-O 2.7Å; A36-P99 CarbonylContact O-C 3.4Å; A36-P99 WeakPolarHBondContact O-CA 3.26Å; T37-P99 WeakPolarHBondContact O-CB 3.24Å; T37-P99 WeakPolarHBondContact O-CG 3.26Å
100G96.4Very high96.6Very high18 Ų1829 Ų2919%0.18618%0.175CC..THydrogen-bonded Turntrans96.7-17.9-178.300000114.7N25 Q35 A36 K98 I102N25-G100 VanDerWaalsContact CA-O 3.26Å; N25-G100 WeakPolarHBondContact CA-O 3.18Å; N25-G100 WeakPolarHBondContact CB-O 3.24Å; N25-G100 PolarHBondContact OD1-O 2.92Å; Q35-G100 WeakPolarHBondContact CG-O 3.35Å; Q35-G100 PolarHBondContact NE2-O 2.87Å; A36-G100 PolarHBondContact O-N 2.85Å; K98-G100 PolarHBondContact O-N 2.94Å; G100-I102 PolarHBondContact O-N 2.79Å
101R97.5Very high96.6Very high73 Ų7329.9 Ų29.928%0.27518%0.176SC..  trans-69.6129.9-177.8-174.564.8-178.1-162.8-1111.6G23 Q35 A36 K67 I68 V97 K98 L103G23-R101 VanDerWaalsContact O-CD 3.3Å; G23-R101 WeakPolarHBondContact O-CD 3.19Å; G23-R101 PolarHBondContact O-NH1 3.34Å; Q35-R101 WeakPolarHBondContact CA-O 3.37Å; A36-R101 PolarHBondContact N-O 2.9Å; K67-R101 PolarHBondContact O-NH2 2.83Å; I68-R101 HydrophobicContact CG2-CG 4.1Å; V97-R101 HydrophobicContact CG1-CB 4.42Å; K98-R101 WeakPolarHBondContact O-CB 3.48Å; K98-R101 PolarHBondContact O-N 3.44Å; R101-L103 HydrophobicContact CG-CD2 4.26Å
102I97.8Very high96.7Very high1 Ų131.8 Ų31.81%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-75.2127.5165.9-55.4-55.7000109.2G24 Q35 K67 G100 F104 E105 V132G24-I102 PolarHBondContact O-N 2.64Å; Q35-I102 HydrophobicContact CB-CD1 3.66Å; Q35-I102 HydrophobicContact CG-CD1 3.91Å; K67-I102 VanDerWaalsContact CB-O 3.26Å; K67-I102 WeakPolarHBondContact CB-O 3.37Å; K67-I102 HydrophobicContact CG-CG2 4.18Å; G100-I102 PolarHBondContact O-N 2.79Å; I102-F104 WeakPolarHBondContact CG2-O 3.29Å; I102-E105 HydrophobicContact CG2-CG 3.72Å; I102-V132 HydrophobicContact CD1-CG2 3.69Å
103L97.9Very high96.8Very high0 Ų033 Ų330%019%0.189CC..EExtended strand (participates in β ladder)trans-95.2-47.2-176.4-53.2-175.7000111.9L34 A36 I42 K67 I68 V97 R101 L125 V127 T129L34-L103 PolarHBondContact O-N 3.42Å; A36-L103 HydrophobicContact CB-CD1 4.21Å; A36-L103 HydrophobicContact CB-CD2 4.15Å; A36-L103 HydrophobicContact CB-CG 4.28Å; I42-L103 HydrophobicContact CD1-CD1 4.09Å; I42-L103 HydrophobicContact CD1-CD2 4.35Å; K67-L103 PolarHBondContact N-O 3.26Å; I68-L103 HydrophobicContact CD1-CD2 4.22Å; I68-L103 HydrophobicContact CG2-CD2 3.85Å; V97-L103 HydrophobicContact CB-CD2 4.39Å; V97-L103 HydrophobicContact CG1-CD2 3.66Å; V97-L103 HydrophobicContact CG2-CD2 3.78Å; R101-L103 HydrophobicContact CG-CD2 4.26Å; L103-L125 HydrophobicContact CD1-CD1 3.57Å; L103-V127 HydrophobicContact CD1-CG2 4.04Å; L103-T129 HydrophobicContact CD1-CG2 4.35Å
104F98.1Very high96.8Very high0 Ų031.1 Ų31.10%018%0.182CC..EExtended strand (participates in β ladder)trans-137.1149.7-179.1-60.2-77.8000109.5G33 L34 I47 A50 M54 W65 I66 I102 L118 L125G33-F104 CarbonylContact C-O 3.44Å; G33-F104 VanDerWaalsContact CA-O 3.27Å; G33-F104 WeakPolarHBondContact CA-O 3.27Å; L34-F104 HydrophobicContact CD2-CD2 4.22Å; L34-F104 PolarHBondContact N-O 2.96Å; I47-F104 HydrophobicContact CG2-CE1 4.14Å; I47-F104 HydrophobicContact CG2-CZ 4.1Å; A50-F104 HydrophobicContact CB-CE2 3.7Å; A50-F104 HydrophobicContact CB-CZ 3.68Å; M54-F104 HydrophobicContact CE-CB 3.92Å; M54-F104 HydrophobicContact CE-CD1 3.48Å; M54-F104 VanDerWaalsContact CE-CD1 3.48Å; M54-F104 HydrophobicContact CE-CD2 4.03Å; M54-F104 HydrophobicContact CE-CE1 3.91Å; M54-F104 HydrophobicContact CE-CE2 4.41Å; M54-F104 HydrophobicContact CE-CG 3.54Å; M54-F104 HydrophobicContact CE-CZ 4.36Å; M54-F104 HydrophobicContact SD-CB 4.14Å; M54-F104 HydrophobicContact SD-CG 4.29Å; W65-F104 CarbonylContact O-C 3.51Å; W65-F104 VanDerWaalsContact O-CA 3.27Å; W65-F104 WeakPolarHBondContact O-CA 3.5Å; I66-F104 HydrophobicContact CB-CD1 4.29Å; I66-F104 HydrophobicContact CB-CE1 4.25Å; I66-F104 HydrophobicContact CD1-CE1 4.41Å; I66-F104 HydrophobicContact CG1-CD1 4.01Å; I66-F104 HydrophobicContact CG1-CE1 3.88Å; I66-F104 HydrophobicContact CG2-CD1 4.21Å; I66-F104 HydrophobicContact CG2-CE1 3.81Å; I102-F104 WeakPolarHBondContact CG2-O 3.29Å; F104-L118 HydrophobicContact CB-CD2 4.33Å; F104-L125 HydrophobicContact CE2-CD1 4.09Å; F104-L125 HydrophobicContact CE2-CD2 4.4Å
105E97.5Very high96.8Very high0 Ų036.7 Ų36.70%020%0.203CC..EExtended strand (participates in β ladder)trans-127.4150169.6-56.8175.1-167.100109.6V27 T28 F29 G30 F32 V64 W65 K67 I102V27-E105 HydrophobicContact CG1-CB 4.49Å; V27-E105 HydrophobicContact CG1-CG 4.05Å; T28-E105 PolarHBondContact N-OE1 3.49Å; T28-E105 PolarHBondContact N-OE2 2.88Å; F29-E105 WeakPolarHBondContact CA-OE2 3.48Å; F29-E105 WeakPolarHBondContact CB-OE2 3.28Å; F29-E105 PolarHBondContact N-OE2 2.71Å; G30-E105 PolarHBondContact N-OE2 3.26Å; F32-E105 CarbonylContact O-C 3.6Å; F32-E105 WeakPolarHBondContact O-CA 3.24Å; V64-E105 CarbonylContact C-O 3.51Å; V64-E105 WeakPolarHBondContact CA-O 3.46Å; W65-E105 HydrophobicContact CB-CB 4.21Å; W65-E105 HydrophobicContact CE3-CB 4.35Å; W65-E105 PolarHBondContact N-O 3.29Å; W65-E105 PolarHBondContact O-N 3.02Å; K67-E105 HydrophobicContact CD-CG 4.21Å; K67-E105 VanDerWaalsContact CD-OE1 3.24Å; K67-E105 WeakPolarHBondContact CD-OE1 3.48Å; K67-E105 WeakPolarHBondContact CE-OE1 3.3Å; K67-E105 HydrophobicContact CG-CG 3.84Å; K67-E105 IonicContact NZ-OE1 2.98Å; K67-E105 PolarHBondContact NZ-OE1 3.34Å; K67-E105 IonicContact NZ-OE2 3.18Å; I102-E105 HydrophobicContact CG2-CG 3.72Å
106V96.9Very high96.8Very high0 Ų039 Ų390%021%0.213CC..EExtended strand (participates in β ladder)trans-134.9141.8-177.8179.90000109.3E31 F32 M54 M58 K63 V64 V109 A114 L118E31-V106 PolarHBondContact N-O 3.39Å; F32-V106 PolarHBondContact N-O 2.97Å; F32-V106 PolarHBondContact O-N 3.09Å; M54-V106 HydrophobicContact SD-CG2 4.25Å; M58-V106 HydrophobicContact CE-CG1 3.32Å; M58-V106 HydrophobicContact SD-CG1 3.77Å; K63-V106 WeakPolarHBondContact O-CA 3.29Å; V64-V106 HydrophobicContact CG2-CG2 4.41Å; V106-V109 HydrophobicContact CG1-CG2 3.71Å; V106-A114 HydrophobicContact CG1-CB 4.48Å; V106-L118 HydrophobicContact CG2-CD1 4.49Å; V106-L118 HydrophobicContact CG2-CD2 3.91Å; V106-L118 HydrophobicContact CG2-CG 4.24Å
107A96Very high96.8Very high14 Ų1437.2 Ų37.212%0.11620%0.203CC..EExtended strand (participates in β ladder)trans-146.6165.4170.600000111.7E31 G62 K63 W65E31-A107 HydrophobicContact CB-CB 4.47Å; E31-A107 HydrophobicContact CG-CB 3.96Å; E31-A107 VanDerWaalsContact OE2-CA 3.26Å; E31-A107 WeakPolarHBondContact OE2-CA 3.37Å; G62-A107 CarbonylContact C-O 3.51Å; G62-A107 WeakPolarHBondContact CA-O 3.08Å; K63-A107 PolarHBondContact N-O 2.72Å; K63-A107 PolarHBondContact O-N 3.05Å; W65-A107 HydrophobicContact CH2-CB 3.89Å; W65-A107 HydrophobicContact CZ3-CB 3.61Å
108G95Very high96.8Very high58 Ų5837.3 Ų37.360%0.59820%0.203SC*.SBendtrans76.727.7175.700000113.4E31E31-G108 PolarHBondContact OE2-N 3.3Å
109V94.9Very high96.9Very high28 Ų2839.9 Ų39.917%0.1721%0.211CC..SBendtrans-142.5158.9171.1-66.70000109M58 V106 V113 A114M58-V109 HydrophobicContact CB-CG1 4.46Å; M58-V109 HydrophobicContact CE-CB 4.27Å; M58-V109 HydrophobicContact CE-CG1 3.43Å; M58-V109 VanDerWaalsContact CE-CG1 3.43Å; M58-V109 HydrophobicContact CE-CG2 3.78Å; M58-V109 HydrophobicContact CG-CG1 4.35Å; V106-V109 HydrophobicContact CG1-CG2 3.71Å; V109-V113 HydrophobicContact CB-CB 4.2Å; V109-V113 HydrophobicContact CB-CG1 3.97Å; V109-V113 HydrophobicContact CG1-CG1 4.2Å; V109-V113 HydrophobicContact CG2-CG1 4.26Å; V109-A114 HydrophobicContact CG2-CB 3.93Å
110S95.7Very high96.9Very high65 Ų6540.5 Ų40.546%0.45521%0.212SC..  trans-61.7156.4174.9670000111.8E112 V113 A114S110-E112 VanDerWaalsContact C-N 3.25Å; S110-E112 PolarHBondContact O-N 3.17Å; S110-V113 PolarHBondContact O-N 3.12Å; S110-V113 VanDerWaalsContact O-N 3.15Å; S110-V113 WeakPolarHBondContact OG-CG2 3.3Å; S110-V113 PolarHBondContact OG-N 2.91Å; S110-A114 PolarHBondContact O-N 3.09Å
111E95.7Very high97Very high68 Ų6839.6 Ų39.632%0.31820%0.203SC..Hα-helixtrans-58.1-38.8178.7-176.7168.9154.200112.2F32 A114 R115 F131 K133F32-E111 HydrophobicContact CD1-CG 4.42Å; F32-E111 HydrophobicContact CE1-CB 3.89Å; F32-E111 HydrophobicContact CE1-CG 3.61Å; F32-E111 HydrophobicContact CE2-CB 4.43Å; F32-E111 HydrophobicContact CZ-CB 3.59Å; F32-E111 HydrophobicContact CZ-CG 3.88Å; E111-A114 PolarHBondContact O-N 2.87Å; E111-R115 WeakPolarHBondContact O-CB 3.3Å; E111-R115 PolarHBondContact O-N 2.97Å; E111-R115 IonicContact OE1-CZ 3.8Å; E111-R115 IonicContact OE1-NH2 2.74Å; E111-R115 PolarHBondContact OE1-NH2 3.33Å; E111-F131 HydrophobicContact CG-CZ 4.23Å; E111-K133 IonicContact OE2-NZ 2.92Å; E111-K133 PolarHBondContact OE2-NZ 3.3Å
112E96.4Very high97Very high152 Ų15237.2 Ų37.271%0.7120%0.197SC*.Hα-helixtrans-59.7-48176.2-174.7-176.3-179.600111.5S110 R115 E116S110-E112 VanDerWaalsContact C-N 3.25Å; S110-E112 PolarHBondContact O-N 3.17Å; E112-R115 PolarHBondContact O-N 3.4Å; E112-E116 PolarHBondContact O-N 3.13Å; E112-E116 VanDerWaalsContact O-N 3.09Å
113V96.5Very high97Very high41 Ų4143 Ų4325%0.24822%0.224CC..Hα-helixtrans-66-42.1178.7172.80000110.9Y57 M58 V109 S110 A117Y57-V113 HydrophobicContact CD1-CG1 4.22Å; Y57-V113 HydrophobicContact CE1-CG1 4.12Å; M58-V113 HydrophobicContact CG-CG1 4.11Å; V109-V113 HydrophobicContact CB-CB 4.2Å; V109-V113 HydrophobicContact CB-CG1 3.97Å; V109-V113 HydrophobicContact CG1-CG1 4.2Å; V109-V113 HydrophobicContact CG2-CG1 4.26Å; S110-V113 PolarHBondContact O-N 3.12Å; S110-V113 VanDerWaalsContact O-N 3.15Å; S110-V113 WeakPolarHBondContact OG-CG2 3.3Å; S110-V113 PolarHBondContact OG-N 2.91Å; V113-A117 VanDerWaalsContact O-CB 3.24Å; V113-A117 WeakPolarHBondContact O-CB 3.42Å; V113-A117 PolarHBondContact O-N 3.1Å
114A96.9Very high97Very high0 Ų048.3 Ų48.30%025%0.247CC..Hα-helixtrans-62.8-44.6177.300000112.1F32 V106 V109 S110 E111 A117 L118 F131F32-A114 HydrophobicContact CB-CB 4.12Å; F32-A114 HydrophobicContact CD2-CB 3.33Å; F32-A114 HydrophobicContact CE2-CB 3.87Å; F32-A114 HydrophobicContact CG-CB 3.79Å; V106-A114 HydrophobicContact CG1-CB 4.48Å; V109-A114 HydrophobicContact CG2-CB 3.93Å; S110-A114 PolarHBondContact O-N 3.09Å; E111-A114 PolarHBondContact O-N 2.87Å; A114-A117 PolarHBondContact O-N 3.29Å; A114-L118 WeakPolarHBondContact O-CB 3.21Å; A114-L118 VanDerWaalsContact O-CG 3.27Å; A114-L118 WeakPolarHBondContact O-CG 3.25Å; A114-L118 PolarHBondContact O-N 2.87Å; A114-F131 HydrophobicContact CB-CE2 4.44Å
115R97.1Very high97Very high121 Ų12149.1 Ų49.146%0.45725%0.251SS..Hα-helixtrans-61.2-46.1-179.7-175.7177.4-63.8-85.40.3111.1E111 E112 R119 F131E111-R115 WeakPolarHBondContact O-CB 3.3Å; E111-R115 PolarHBondContact O-N 2.97Å; E111-R115 IonicContact OE1-CZ 3.8Å; E111-R115 IonicContact OE1-NH2 2.74Å; E111-R115 PolarHBondContact OE1-NH2 3.33Å; E112-R115 PolarHBondContact O-N 3.4Å; R115-R119 WeakPolarHBondContact O-CB 3.46Å; R115-R119 PolarHBondContact O-N 3.28Å; R115-F131 HydrophobicContact CB-CD2 4.38Å; R115-F131 HydrophobicContact CB-CE2 4.02Å; R115-F131 HydrophobicContact CB-CZ 4.36Å; R115-F131 HydrophobicContact CG-CD2 4.49Å
116E97.4Very high97Very high50 Ų5051.8 Ų51.823%0.23427%0.269CS..Hα-helixtrans-71.6-40.8179.7-17555.3-15800112.2Y57 E112 L118 R119 L120Y57-E116 HydrophobicContact CD1-CB 4.38Å; Y57-E116 HydrophobicContact CD1-CG 4.38Å; Y57-E116 HydrophobicContact CD2-CG 4.31Å; Y57-E116 HydrophobicContact CE1-CB 3.59Å; Y57-E116 HydrophobicContact CE1-CG 3.65Å; Y57-E116 HydrophobicContact CE2-CB 4.44Å; Y57-E116 HydrophobicContact CE2-CG 3.57Å; Y57-E116 VanDerWaalsContact OH-CG 3.24Å; Y57-E116 WeakPolarHBondContact OH-CG 3.22Å; E112-E116 PolarHBondContact O-N 3.13Å; E112-E116 VanDerWaalsContact O-N 3.09Å; E116-L118 VanDerWaalsContact C-N 3.34Å; E116-L118 PolarHBondContact O-N 2.98Å; E116-R119 VanDerWaalsContact CD-NE 3.32Å; E116-R119 WeakPolarHBondContact O-CB 3.28Å; E116-R119 PolarHBondContact O-N 3.18Å; E116-R119 IonicContact OE1-CZ 3.3Å; E116-R119 VanDerWaalsContact OE1-CZ 3.3Å; E116-R119 IonicContact OE1-NE 3.15Å; E116-R119 PolarHBondContact OE1-NE 3.09Å; E116-R119 VanDerWaalsContact OE1-NE 3.15Å; E116-R119 IonicContact OE1-NH2 2.64Å; E116-R119 PolarHBondContact OE1-NH2 2.88Å; E116-R119 WeakPolarHBondContact OE2-CD 3.27Å; E116-R119 IonicContact OE2-CZ 3.66Å; E116-R119 IonicContact OE2-NE 2.75Å; E116-R119 PolarHBondContact OE2-NE 2.79Å; E116-R119 IonicContact OE2-NH2 3.75Å; E116-L120 WeakPolarHBondContact O-CG 3.48Å; E116-L120 PolarHBondContact O-N 2.92Å
117A97.7Very high97Very high0 Ų052.4 Ų52.40%027%0.273CS..Hα-helixtrans-56.9-47173.500000112M54 Y57 M58 V113 A114 L120 A121M54-A117 HydrophobicContact CB-CB 4.39Å; M54-A117 HydrophobicContact CG-CB 4.41Å; M54-A117 WeakPolarHBondContact CG-O 3.32Å; Y57-A117 HydrophobicContact CD1-CB 3.89Å; Y57-A117 HydrophobicContact CG-CB 4.5Å; M58-A117 HydrophobicContact CG-CB 3.96Å; M58-A117 HydrophobicContact SD-CB 4.3Å; V113-A117 VanDerWaalsContact O-CB 3.24Å; V113-A117 WeakPolarHBondContact O-CB 3.42Å; V113-A117 PolarHBondContact O-N 3.1Å; A114-A117 PolarHBondContact O-N 3.29Å; A117-L120 PolarHBondContact O-N 2.74Å; A117-A121 PolarHBondContact O-N 3.31Å
118L97.5Very high97.1Very high1 Ų159.1 Ų59.11%0.00530%0.299CS..Hα-helixtrans-71.1-32.1-179.4-71.1169.7000112.2F32 L34 M54 F104 V106 A114 E116 A121 S122 F131F32-L118 HydrophobicContact CB-CD1 4.15Å; L34-L118 HydrophobicContact CB-CD2 3.81Å; L34-L118 HydrophobicContact CD1-CB 4.3Å; M54-L118 HydrophobicContact SD-CD2 3.55Å; M54-L118 VanDerWaalsContact SD-CD2 3.55Å; F104-L118 HydrophobicContact CB-CD2 4.33Å; V106-L118 HydrophobicContact CG2-CD1 4.49Å; V106-L118 HydrophobicContact CG2-CD2 3.91Å; V106-L118 HydrophobicContact CG2-CG 4.24Å; A114-L118 WeakPolarHBondContact O-CB 3.21Å; A114-L118 VanDerWaalsContact O-CG 3.27Å; A114-L118 WeakPolarHBondContact O-CG 3.25Å; A114-L118 PolarHBondContact O-N 2.87Å; E116-L118 VanDerWaalsContact C-N 3.34Å; E116-L118 PolarHBondContact O-N 2.98Å; L118-A121 WeakPolarHBondContact O-CB 3.42Å; L118-A121 PolarHBondContact O-N 2.87Å; L118-S122 PolarHBondContact O-N 2.98Å; L118-F131 HydrophobicContact CB-CD2 4.41Å; L118-F131 HydrophobicContact CD1-CD2 3.66Å; L118-F131 HydrophobicContact CD1-CE2 3.72Å
119R98Very high97.2Very high111 Ų11158.2 Ų58.242%0.41928%0.282SS..Hα-helixtrans-62-48.5170.9-170-167.773.682.44.8110.8R115 E116 A121 S122 H123R115-R119 WeakPolarHBondContact O-CB 3.46Å; R115-R119 PolarHBondContact O-N 3.28Å; E116-R119 VanDerWaalsContact CD-NE 3.32Å; E116-R119 WeakPolarHBondContact O-CB 3.28Å; E116-R119 PolarHBondContact O-N 3.18Å; E116-R119 IonicContact OE1-CZ 3.3Å; E116-R119 VanDerWaalsContact OE1-CZ 3.3Å; E116-R119 IonicContact OE1-NE 3.15Å; E116-R119 PolarHBondContact OE1-NE 3.09Å; E116-R119 VanDerWaalsContact OE1-NE 3.15Å; E116-R119 IonicContact OE1-NH2 2.64Å; E116-R119 PolarHBondContact OE1-NH2 2.88Å; E116-R119 WeakPolarHBondContact OE2-CD 3.27Å; E116-R119 IonicContact OE2-CZ 3.66Å; E116-R119 IonicContact OE2-NE 2.75Å; E116-R119 PolarHBondContact OE2-NE 2.79Å; E116-R119 IonicContact OE2-NH2 3.75Å; R119-A121 VanDerWaalsContact C-N 3.28Å; R119-A121 PolarHBondContact O-N 3.09Å; R119-S122 PolarHBondContact O-N 3.4Å; R119-S122 VanDerWaalsContact O-N 3.14Å; R119-S122 PolarHBondContact O-OG 2.9Å; R119-H123 PolarHBondContact NH1-NE2 2.73Å; R119-H123 PolarHBondContact O-CD2 3.21Å; R119-H123 PolarHBondContact O-N 2.77Å
120L97.8Very high97.3Very high49 Ų4963 Ų6326%0.25730%0.301SS..Hα-helixtrans-61-37.3176.3-67.6174.5000112.3Y57 E116 A117Y57-L120 HydrophobicContact CD2-CD1 3.45Å; Y57-L120 VanDerWaalsContact CD2-CD1 3.45Å; Y57-L120 HydrophobicContact CE2-CD1 4.2Å; Y57-L120 HydrophobicContact CG-CD1 3.79Å; E116-L120 WeakPolarHBondContact O-CG 3.48Å; E116-L120 PolarHBondContact O-N 2.92Å; A117-L120 PolarHBondContact O-N 2.74Å
121A98Very high97.4Very high0 Ų061.9 Ų61.90%029%0.288CS..Hα-helixtrans-63.1-41.8174.400000112.4L34 A50 M54 A117 L118 R119 H123 K124L34-A121 HydrophobicContact CD2-CB 4.37Å; A50-A121 HydrophobicContact CB-CB 4.2Å; M54-A121 HydrophobicContact CE-CB 4.4Å; M54-A121 HydrophobicContact CG-CB 3.55Å; M54-A121 HydrophobicContact SD-CB 3.84Å; A117-A121 PolarHBondContact O-N 3.31Å; L118-A121 WeakPolarHBondContact O-CB 3.42Å; L118-A121 PolarHBondContact O-N 2.87Å; R119-A121 VanDerWaalsContact C-N 3.28Å; R119-A121 PolarHBondContact O-N 3.09Å; A121-H123 VanDerWaalsContact C-N 3.27Å; A121-H123 PolarHBondContact O-N 3.16Å; A121-K124 WeakPolarHBondContact O-CB 3.21Å; A121-K124 PolarHBondContact O-N 2.75Å
122S97.7Very high97.4Very high22 Ų2259.9 Ų59.915%0.15428%0.28CS..Hα-helixtrans-59.8-35.6-178.6720000113.3L118 R119 K124 L125 T129L118-S122 PolarHBondContact O-N 2.98Å; R119-S122 PolarHBondContact O-N 3.4Å; R119-S122 VanDerWaalsContact O-N 3.14Å; R119-S122 PolarHBondContact O-OG 2.9Å; S122-K124 PolarHBondContact O-N 2.81Å; S122-K124 VanDerWaalsContact O-N 3.09Å; S122-L125 PolarHBondContact O-N 3.45Å; S122-T129 WeakPolarHBondContact CB-OG1 3.33Å
123H98Very high97.4Very high124 Ų12458.4 Ų58.457%0.57427%0.271SS*.THydrogen-bonded Turntrans-65-14.1177-69.1-53.8000113.7R119 A121R119-H123 PolarHBondContact NH1-NE2 2.73Å; R119-H123 PolarHBondContact O-CD2 3.21Å; R119-H123 PolarHBondContact O-N 2.77Å; A121-H123 VanDerWaalsContact C-N 3.27Å; A121-H123 PolarHBondContact O-N 3.16Å
124K98Very high97.2Very high110 Ų11062.7 Ų62.748%0.47828%0.283SS..THydrogen-bonded Turntrans-94.2-4.1176.7-52.9-53.4179.5-171.80113S49 A50 A53 A121 S122S49-K124 WeakPolarHBondContact OG-CB 3.23Å; A50-K124 HydrophobicContact CB-CB 4.29Å; A53-K124 HydrophobicContact CB-CG 4.47Å; A121-K124 WeakPolarHBondContact O-CB 3.21Å; A121-K124 PolarHBondContact O-N 2.75Å; S122-K124 PolarHBondContact O-N 2.81Å; S122-K124 VanDerWaalsContact O-N 3.09Å
125L98Very high96.5Very high17 Ų1770.4 Ų70.49%0.08932%0.319CS..SBendtrans-111143.7-174-60.7176.8000111.9L34 I42 Q46 A50 L103 F104 S122 V127 T129L34-L125 HydrophobicContact CD2-CD1 3.94Å; I42-L125 HydrophobicContact CD1-CD2 4.33Å; I42-L125 HydrophobicContact CG2-CD2 3.98Å; Q46-L125 HydrophobicContact CB-CD2 4.39Å; A50-L125 HydrophobicContact CB-CD2 4.07Å; A50-L125 HydrophobicContact CB-CG 4.36Å; L103-L125 HydrophobicContact CD1-CD1 3.57Å; F104-L125 HydrophobicContact CE2-CD1 4.09Å; F104-L125 HydrophobicContact CE2-CD2 4.4Å; S122-L125 PolarHBondContact O-N 3.45Å; L125-V127 HydrophobicContact CB-CG2 4Å; L125-V127 HydrophobicContact CD1-CG2 4.46Å; L125-V127 PolarHBondContact O-N 3.26Å; L125-V127 VanDerWaalsContact O-N 3.07Å; L125-T129 HydrophobicContact CD1-CG2 4.45Å
126P97.7Very high94.9Very high56 Ų5674 Ų7436%0.36434%0.341SS..SBendtrans-85.539.1178.538.2-38.4000112S40S40-P126 WeakPolarHBondContact CB-O 3.32Å; S40-P126 WeakPolarHBondContact OG-CG 3.13Å; S40-P126 PolarHBondContact OG-O 3.09Å
127V96.9Very high92.9Very high14 Ų1479.1 Ų79.19%0.08537%0.369CS..SBendtrans-142.2148.9-179.8-70.80000110.7A36 T38 I42 L103 L125 T129A36-V127 HydrophobicContact CB-CG2 4.45Å; T38-V127 WeakPolarHBondContact OG1-CA 3.45Å; I42-V127 HydrophobicContact CD1-CG2 4.21Å; L103-V127 HydrophobicContact CD1-CG2 4.04Å; L125-V127 HydrophobicContact CB-CG2 4Å; L125-V127 HydrophobicContact CD1-CG2 4.46Å; L125-V127 PolarHBondContact O-N 3.26Å; L125-V127 VanDerWaalsContact O-N 3.07Å; V127-T129 HydrophobicContact CG2-CG2 3.92Å
128K97.7Very high90.1Very high155 Ų15582.3 Ų82.367%0.67440%0.402SS*.  trans-73.4137.2166.3-65.8-176.8-179.7-176.50108.9T37 T38T37-K128 PolarHBondContact N-O 3.15Å; T37-K128 VanDerWaalsContact OG1-C 3.28Å; T37-K128 WeakPolarHBondContact OG1-CB 3.39Å; T37-K128 PolarHBondContact OG1-O 2.95Å; T38-K128 HydrophobicContact CG2-CB 3.99Å; T38-K128 HydrophobicContact CG2-CD 4.09Å; T38-K128 HydrophobicContact CG2-CG 4.13Å; T38-K128 PolarHBondContact OG1-N 2.89Å
129T98Very high87.5Confident39 Ų3985.6 Ų85.624%0.23944%0.436CS..EExtended strand (participates in β ladder)trans-127.5155.9-17557.50000112.9L34 Q35 L103 S122 L125 V127L34-T129 HydrophobicContact CD1-CG2 4.13Å; L34-T129 HydrophobicContact CD2-CG2 4.09Å; L34-T129 HydrophobicContact CG-CG2 3.93Å; Q35-T129 CarbonylContact O-C 3.58Å; Q35-T129 WeakPolarHBondContact O-CA 3.4Å; Q35-T129 WeakPolarHBondContact O-CB 3.38Å; L103-T129 HydrophobicContact CD1-CG2 4.35Å; S122-T129 WeakPolarHBondContact CB-OG1 3.33Å; L125-T129 HydrophobicContact CD1-CG2 4.45Å; V127-T129 HydrophobicContact CG2-CG2 3.92Å
130K97.2Very high84.6Confident127 Ų12788.4 Ų88.455%0.55245%0.454SS*.EExtended strand (participates in β ladder)trans-122.7137173-176.9-179.2177.2-174.80109.4Q35 T37 V132Q35-K130 PolarHBondContact N-O 2.84Å; Q35-K130 PolarHBondContact O-N 2.94Å; T37-K130 HydrophobicContact CG2-CB 4.01Å; K130-V132 HydrophobicContact CG-CG1 4.48Å
131F97.6Very high81.8Confident43 Ų4391.8 Ų91.819%0.18948%0.476CS..EExtended strand (participates in β ladder)trans-75.5132.8168.5176.7-88.3000109.4F32 E111 A114 R115 L118F32-F131 HydrophobicContact CB-CE2 3.85Å; F32-F131 HydrophobicContact CB-CZ 3.9Å; F32-F131 AromaticContact CD1-CE1 3.95Å; F32-F131 HydrophobicContact CD1-CE1 3.95Å; F32-F131 HydrophobicContact CD1-CE2 4.09Å; F32-F131 AromaticContact CD1-CZ 3.27Å; F32-F131 HydrophobicContact CD1-CZ 3.27Å; F32-F131 AromaticContact CE1-CZ 3.99Å; F32-F131 HydrophobicContact CE1-CZ 3.99Å; F32-F131 HydrophobicContact CG-CE2 4.14Å; F32-F131 AromaticContact CG-CZ 3.77Å; F32-F131 HydrophobicContact CG-CZ 3.77Å; E111-F131 HydrophobicContact CG-CZ 4.23Å; A114-F131 HydrophobicContact CB-CE2 4.44Å; R115-F131 HydrophobicContact CB-CD2 4.38Å; R115-F131 HydrophobicContact CB-CE2 4.02Å; R115-F131 HydrophobicContact CB-CZ 4.36Å; R115-F131 HydrophobicContact CG-CD2 4.49Å; L118-F131 HydrophobicContact CB-CD2 4.41Å; L118-F131 HydrophobicContact CD1-CD2 3.66Å; L118-F131 HydrophobicContact CD1-CE2 3.72Å
132V96.2Very high79Confident25 Ų2598.8 Ų98.815%0.15251%0.514CS..EExtended strand (participates in β ladder)trans-128.4140.4177.7-65.10000109.8V27 F32 G33 Q35 I102 K130V27-V132 HydrophobicContact CG2-CG2 3.67Å; F32-V132 CarbonylContact C-O 3.52Å; F32-V132 WeakPolarHBondContact CA-O 3.13Å; G33-V132 PolarHBondContact N-O 2.9Å; G33-V132 WeakPolarHBondContact O-CG2 3.29Å; G33-V132 PolarHBondContact O-N 2.92Å; Q35-V132 HydrophobicContact CB-CG1 4.09Å; Q35-V132 HydrophobicContact CB-CG2 4.46Å; I102-V132 HydrophobicContact CD1-CG2 3.69Å; K130-V132 HydrophobicContact CG-CG1 4.48Å
133K95.5Very high76.4Confident122 Ų122106.1 Ų106.153%0.5355%0.546SS..EExtended strand (participates in β ladder)trans-95.5151.3168.8-167169-174.9163.90108.1F32 E111 E135F32-K133 HydrophobicContact CD1-CB 4.33Å; F32-K133 HydrophobicContact CD1-CG 4Å; F32-K133 HydrophobicContact CE1-CD 4.01Å; F32-K133 HydrophobicContact CE1-CG 3.87Å; E111-K133 IonicContact OE2-NZ 2.92Å; E111-K133 PolarHBondContact OE2-NZ 3.3Å; K133-E135 PolarHBondContact O-N 3.2Å
134R92.1Very high74Confident130 Ų130109.3 Ų109.349%0.49158%0.582SS.*PPolyproline II helixtrans-65.9119169.6-174.3172.8-178.9166.60.3108V27 T28 G30 E31V27-R134 HydrophobicContact CB-CB 4.15Å; V27-R134 HydrophobicContact CB-CG 4.44Å; V27-R134 HydrophobicContact CG1-CB 4.1Å; T28-R134 PolarHBondContact O-NH1 3.4Å; T28-R134 VanDerWaalsContact O-NH1 3.09Å; G30-R134 WeakPolarHBondContact O-CD 3.44Å; E31-R134 PolarHBondContact O-N 3.05Å
135E82.3Confident72.8Confident163 Ų163109.3 Ų109.376%0.76259%0.588SS**PPolyproline II helixtrans-75130.1167.8-68.9172.6-178.200107.4K133 L137K133-E135 PolarHBondContact O-N 3.2Å; E135-L137 PolarHBondContact O-N 3.42Å
136E64.2Low71.5Confident196 Ų196114.2 Ų114.292%0.91661%0.614SS**  trans-67.489.1164.5-75.5-178.1168.700107.2G138E136-G138 PolarHBondContact O-N 2.68Å
137L55.8Low70.1Confident158 Ų158117.4 Ų117.483%0.82763%0.628SS**  trans-65.898.3155.2-90.7142.7000105.2E135 G139E135-L137 PolarHBondContact O-N 3.42Å; L137-G139 PolarHBondContact O-N 2.6Å
138G38Very low68.5Low67 Ų67123.5 Ų123.569%0.69166%0.66SS**  trans-44.1109.3174.300000108.9E136 E140E136-G138 PolarHBondContact O-N 2.68Å; G138-E140 PolarHBondContact O-N 3.28Å
139G43Very low66.7Low69 Ų69121.5 Ų121.571%0.71166%0.659SS**  trans-70.287.9167.800000106.6L137 T141L137-G139 PolarHBondContact O-N 2.6Å; G139-T141 PolarHBondContact O-N 3.1Å
140E36.6Very low64.6Low171 Ų171127 Ų12780%0.79969%0.687SS**  trans-60.592.6152.8-73.2-179.7173.800105.8G138 N142G138-E140 PolarHBondContact O-N 3.28Å; E140-N142 PolarHBondContact O-N 2.97Å
141T40.1Very low62.3Low119 Ų119127 Ų12773%0.7370%0.696SS**  trans-54.496.1152.333.20000106.3G139 E143G139-T141 PolarHBondContact O-N 3.1Å; T141-E143 PolarHBondContact O-N 3.14Å
142N39.3Very low59.5Low147 Ų147133.5 Ų133.579%0.78674%0.735SS**  trans-66.180.3158.8-76.7-25.7000107E140E140-N142 PolarHBondContact O-N 2.97Å
143E43.1Very low56.5Low176 Ų176142.5 Ų142.582%0.82278%0.784SS**  trans-85.4104.2156.2-72.6-170.1172.400107.2T141T141-E143 PolarHBondContact O-N 3.14Å
144S47.8Very low52.9Low192 Ų192144.4 Ų144.4100%1.34381%0.807SS**  trans-141.90154.5-62.60000107.1

Retrieved 144 of 144 residues in 318 ms (Link to these results)