A0A087Y4Z0_POEFO Loading...

Potassium channel tetramerization domain containing 10

AlphaFold DB , UniProt , Accession A0A087Y4Z0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 311 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
1M37.8Very low35.6Very low240 Ų240146.8 Ų146.8100%1.18284%0.844SS**  0107.20-74.3172.5174.400104.7
2E37.1Very low35.5Very low193 Ų193143.1 Ų143.190%0.90283%0.833SS**  cis-146.8151.421.2-75.4166.2130.200109.4
3E36.3Very low35.7Very low186 Ų186138.8 Ų138.887%0.86982%0.824SS**  trans-75.6155.3162.6-66.2-173.5141.200110.7
4M33.8Very low35.8Very low188 Ų188138.1 Ų138.193%0.92682%0.821SS**  trans179.3106137-99.5165.7176.700107.7
5S37.4Very low36.3Very low102 Ų102136.7 Ų136.771%0.71382%0.817SS**  100.3100.475.6-162.80000109.4
6G38.2Very low37.2Very low77 Ų77133.9 Ų133.979%0.79481%0.814SS**  trans-86.9116168.200000109.1S8G6-S8 PolarHBondContact O-N 3.47Å
7D32.7Very low38.3Very low154 Ų154130.6 Ų130.682%0.82480%0.804SS**  trans-77.9121.7174.5-84.9-22.7000110.7
8S34.5Very low40Very low99 Ų99129 Ų12969%0.69279%0.794SS**  trans-75.3137.8173.850.80000110.6G6 V10G6-S8 PolarHBondContact O-N 3.47Å; S8-V10 PolarHBondContact O-N 3.17Å; S8-V10 VanDerWaalsContact O-N 3.17Å
9V34.1Very low41.6Very low142 Ų142126.1 Ų126.186%0.86178%0.776SS**  trans-68.5108.4174.2-179.80000108.9S11V9-S11 PolarHBondContact O-N 3.17Å
10V33.4Very low43.4Very low126 Ų126129 Ų12976%0.76477%0.772SS**  trans-88.797168-173.80000108.3S8 S12S8-V10 PolarHBondContact O-N 3.17Å; S8-V10 VanDerWaalsContact O-N 3.17Å; V10-S12 PolarHBondContact O-N 3.42Å
11S35.8Very low44.9Very low108 Ų108126.8 Ų126.876%0.75576%0.759SS**  trans-70.3103.1165.1-173.90000108.5V9 A13V9-S11 PolarHBondContact O-N 3.17Å; S11-A13 PolarHBondContact O-N 3.33Å; S11-A13 VanDerWaalsContact O-N 3.11Å
12S34.3Very low46.4Very low102 Ų102118.3 Ų118.371%0.71372%0.721SS**  trans-7198.1168.9172.80000108.5V10 V14V10-S12 PolarHBondContact O-N 3.42Å; S12-V14 PolarHBondContact O-N 3.11Å
13A39.1Very low47.5Very low87 Ų87112 Ų11272%0.71970%0.698SS**PPolyproline II helixtrans-68.2117.1166.400000108.7S11S11-A13 PolarHBondContact O-N 3.33Å; S11-A13 VanDerWaalsContact O-N 3.11Å
14V37.3Very low48.7Very low129 Ų129105.3 Ų105.378%0.78267%0.666SS**PPolyproline II helixtrans-64.8127.6170-168.90000107.6S12 A16S12-V14 PolarHBondContact O-N 3.11Å; V14-A16 PolarHBondContact O-N 3.25Å
15P43Very low49.9Very low117 Ų117105 Ų10576%0.7666%0.66SS**PPolyproline II helixtrans-65.8124.4-17924.9-31000109.8A17P15-A17 PolarHBondContact O-N 3.14Å
16A50.2Low50.6Low92 Ų92103.4 Ų103.476%0.7666%0.659SS**PPolyproline II helixtrans-62.5124.2173.400000109.6V14 T18V14-A16 PolarHBondContact O-N 3.25Å; A16-T18 PolarHBondContact O-N 3.32Å; A16-T18 VanDerWaalsContact O-N 3.14Å
17A56.5Low50.9Low79 Ų79103.3 Ų103.365%0.65365%0.646SS**PPolyproline II helixtrans-56.9119.1174.800000109.4P15 T19P15-A17 PolarHBondContact O-N 3.14Å; A17-T19 PolarHBondContact O-N 3.36Å
18T68.9Low51.6Low101 Ų10199.7 Ų99.762%0.6263%0.633SS**  trans-75.6105.9179.7-60.20000108.8A16A16-T18 PolarHBondContact O-N 3.32Å; A16-T18 VanDerWaalsContact O-N 3.14Å
19T69.2Low52.3Low73 Ų73101.7 Ų101.745%0.44864%0.644SS.*  trans-92.5145.9173.251.10000110.6A17 L76A17-T19 PolarHBondContact O-N 3.36Å; T19-L76 HydrophobicContact CG2-CD1 3.57Å
20R79.4Confident52.9Low185 Ų18599.7 Ų99.770%0.69864%0.636SS**EExtended strand (participates in β ladder)trans-125.8132176-74.5-179.3155.5-179.1-5.7110.1T22 T69R20-T22 HydrophobicContact CB-CG2 4.35Å; R20-T69 PolarHBondContact N-O 2.89Å; R20-T69 PolarHBondContact O-N 3.17Å
21T73.8Confident54Low83 Ų8397.1 Ų97.151%0.50962%0.624SS.*EExtended strand (participates in β ladder)trans-80.9119.4169.1-49.70000108.5E66 L68T21-E66 HydrophobicContact CG2-CB 3.7Å; T21-E66 HydrophobicContact CG2-CG 4.18Å; T21-E66 WeakPolarHBondContact CG2-OE2 3.41Å; T21-L68 WeakPolarHBondContact OG1-CD2 3.14Å
22T68.4Low55.7Low61 Ų6199.9 Ų99.937%0.37462%0.622SS.*EExtended strand (participates in β ladder)trans-135.6140.3178.360.40000110.1R20 F24 V67R20-T22 HydrophobicContact CB-CG2 4.35Å; T22-F24 PolarHBondContact O-N 2.9Å; T22-V67 PolarHBondContact N-O 3.3Å; T22-V67 VanDerWaalsContact N-O 3.07Å; T22-V67 PolarHBondContact O-N 2.95Å
23S60.3Low58.2Low61 Ų61101.9 Ų101.943%0.42762%0.615SS.*EExtended strand (participates in β ladder)trans-70.4125.6161.61790000107.9K25 G63S23-K25 PolarHBondContact O-N 3.43Å; S23-G63 PolarHBondContact OG-O 3.17Å; S23-G63 VanDerWaalsContact OG-O 3.07Å
24F63.3Low60.7Low46 Ų4698.1 Ų98.120%0.20258%0.583CS.*  trans-65.595.7-179.9-171.2-94.5000109.5T22 G26 M47 F61 G63 V67 I75T22-F24 PolarHBondContact O-N 2.9Å; F24-G26 PolarHBondContact O-N 3.5Å; F24-M47 HydrophobicContact CD1-CE 4.42Å; F24-M47 HydrophobicContact CE1-CE 3.7Å; F24-M47 HydrophobicContact CE1-SD 3.84Å; F24-M47 HydrophobicContact CZ-CE 4.38Å; F24-M47 HydrophobicContact CZ-SD 3.9Å; F24-F61 HydrophobicContact CE1-CD1 4.45Å; F24-F61 HydrophobicContact CZ-CD1 4.46Å; F24-G63 WeakPolarHBondContact O-CA 3.32Å; F24-V67 HydrophobicContact CB-CG2 4.24Å; F24-I75 HydrophobicContact CD2-CD1 4.17Å; F24-I75 HydrophobicContact CE2-CD1 4.15Å
25K57.1Low63.4Low182 Ų18295.8 Ų95.879%0.79156%0.562SS**  trans-80.8109.1165-76.8-179.4178.11780106.3S23 S27S23-K25 PolarHBondContact O-N 3.43Å; K25-S27 PolarHBondContact O-N 3.06Å
26G53.7Low65.9Low67 Ų6790.2 Ų90.269%0.69153%0.526SS*.  trans-46.3100.217800000110.8F24 S28F24-G26 PolarHBondContact O-N 3.5Å; G26-S28 PolarHBondContact O-N 2.81Å
27S44.5Very low68.1Low76 Ų7687.5 Ų87.553%0.53150%0.499SS..  trans-81.9107.3-171.867.90000108.4K25K25-S27 PolarHBondContact O-N 3.06Å
28S47.4Very low70Confident78 Ų7883.7 Ų83.755%0.54547%0.468SS..THydrogen-bonded Turntrans53.4143.9160.843.40000117.2G26 S30G26-S28 PolarHBondContact O-N 2.81Å; S28-S30 PolarHBondContact O-N 2.9Å
29P48.5Very low71.2Confident141 Ų14181.5 Ų81.592%0.91647%0.465SS*.THydrogen-bonded Turntrans-65.810.8-17725.7-33.1000115.5
30S46.9Very low72.4Confident99 Ų9980.9 Ų80.969%0.69247%0.473SS*.THydrogen-bonded Turntrans-104.7-17.9-170.654.70000116.4S28S28-S30 PolarHBondContact O-N 2.9Å
31S55.3Low73.2Confident73 Ų7373.5 Ų73.551%0.5145%0.452SS..  trans-99.691.6172.4-167.70000110.8Y33S31-Y33 PolarHBondContact O-N 2.99Å; S31-Y33 VanDerWaalsContact O-N 3.15Å; S31-Y33 PolarHBondContact OG-O 3.33Å
32K73.5Confident74.2Confident165 Ų16574.1 Ų74.172%0.71745%0.451SS*.  trans-62.1-18.1175.9-66.6-177.2179.8176.90113.1T46K32-T46 WeakPolarHBondContact O-CB 3.4Å; K32-T46 WeakPolarHBondContact O-CG2 3.28Å
33Y86.8Confident75.6Confident144 Ų14473.6 Ų73.657%0.56544%0.443SS*.EExtended strand (participates in β ladder)trans-118.1148.4-171.9-67.7-85.4000112.8S31 T45 T46S31-Y33 PolarHBondContact O-N 2.99Å; S31-Y33 VanDerWaalsContact O-N 3.15Å; S31-Y33 PolarHBondContact OG-O 3.33Å; Y33-T45 CarbonylContact C-O 3.22Å; Y33-T45 VanDerWaalsContact CA-O 3.26Å; Y33-T45 WeakPolarHBondContact CA-O 3.49Å; Y33-T46 HydrophobicContact CD1-CG2 4.1Å; Y33-T46 HydrophobicContact CE1-CG2 3.99Å
34V90.9Very high77.2Confident9 Ų976.8 Ų76.86%0.05545%0.447CS..EExtended strand (participates in β ladder)trans-117.6136.2178.2-178.10000108.1L36 Y44 T45 M47 L50 F61 I75V34-L36 HydrophobicContact CG1-CG 4.34Å; V34-Y44 WeakPolarHBondContact O-CA 3.12Å; V34-T45 PolarHBondContact N-O 2.95Å; V34-T45 PolarHBondContact O-N 3.03Å; V34-T45 VanDerWaalsContact O-N 3.12Å; V34-M47 HydrophobicContact CG2-CG 3.63Å; V34-M47 HydrophobicContact CG2-SD 3.44Å; V34-M47 WeakPolarHBondContact CG2-SD 3.47Å; V34-L50 HydrophobicContact CB-CD1 4.08Å; V34-L50 HydrophobicContact CG1-CD1 3.93Å; V34-L50 HydrophobicContact CG2-CD1 4.17Å; V34-F61 HydrophobicContact CG1-CD1 4.41Å; V34-F61 HydrophobicContact CG1-CE1 3.47Å; V34-F61 VanDerWaalsContact CG1-CE1 3.47Å; V34-F61 HydrophobicContact CG1-CZ 3.8Å; V34-I75 HydrophobicContact CG1-CD1 4.06Å
35K93.8Very high78.7Confident79 Ų7974.7 Ų74.734%0.34344%0.438SS..EExtended strand (participates in β ladder)trans-101.7126.3177.2-58.3-170.3-170.51720110.2Y44 E72 W74 I75K35-Y44 HydrophobicContact CD-CE1 3.98Å; K35-Y44 HydrophobicContact CG-CD1 4.04Å; K35-Y44 HydrophobicContact CG-CE1 3.61Å; K35-E72 PolarHBondContact NZ-O 2.92Å; K35-W74 HydrophobicContact CB-CD2 3.92Å; K35-W74 HydrophobicContact CB-CE3 3.58Å; K35-W74 HydrophobicContact CB-CG 4.49Å; K35-W74 HydrophobicContact CB-CH2 4.44Å; K35-W74 HydrophobicContact CB-CZ3 3.86Å; K35-W74 HydrophobicContact CD-CD2 4.3Å; K35-W74 HydrophobicContact CD-CZ2 4.32Å; K35-I75 PolarHBondContact O-N 2.93Å
36L95.9Very high80.4Confident0 Ų067.7 Ų67.70%041%0.41CS..EExtended strand (participates in β ladder)trans-125.3129.3-177.8-69156.3000109.8V34 V38 Y43 T45 L50 F61 W74 I75 I77 F84V34-L36 HydrophobicContact CG1-CG 4.34Å; L36-V38 HydrophobicContact CB-CG2 4.4Å; L36-Y43 PolarHBondContact N-O 3.22Å; L36-Y43 PolarHBondContact O-N 2.77Å; L36-T45 HydrophobicContact CD1-CG2 3.73Å; L36-L50 HydrophobicContact CD1-CD1 4.23Å; L36-L50 HydrophobicContact CD1-CD2 4.13Å; L36-F61 HydrophobicContact CD2-CE2 4.02Å; L36-F61 HydrophobicContact CD2-CZ 3.69Å; L36-W74 VanDerWaalsContact C-CE3 3.46Å; L36-W74 VanDerWaalsContact O-CZ3 3.29Å; L36-W74 WeakPolarHBondContact O-CZ3 3.37Å; L36-I75 HydrophobicContact CD2-CB 4.3Å; L36-I75 HydrophobicContact CD2-CG2 4.31Å; L36-I77 HydrophobicContact CD2-CD1 3.91Å; L36-F84 HydrophobicContact CB-CE1 4.5Å; L36-F84 HydrophobicContact CD1-CE1 3.86Å; L36-F84 HydrophobicContact CD1-CZ 3.99Å
37N96.3Very high82Confident35 Ų3567.1 Ų67.119%0.18739%0.39CS..EExtended strand (participates in β ladder)trans-113.4106.1171.1-179.2-8.4000108.3G40 L42 W74 I75 L76 I77N37-G40 WeakPolarHBondContact OD1-CA 3.29Å; N37-G40 PolarHBondContact OD1-N 2.92Å; N37-L42 HydrophobicContact CB-CD2 3.87Å; N37-W74 HydrophobicContact CB-CB 4.03Å; N37-W74 HydrophobicContact CB-CD2 4.47Å; N37-W74 HydrophobicContact CB-CE3 4.15Å; N37-W74 HydrophobicContact CB-CG 4.44Å; N37-I75 PolarHBondContact N-O 3.07Å; N37-L76 HydrophobicContact CB-CD2 3.76Å; N37-L76 WeakPolarHBondContact O-CA 3.38Å; N37-I77 PolarHBondContact O-N 3.39Å
38V96.9Very high84.2Confident0 Ų071 Ų710%040%0.4CS..EExtended strand (participates in β ladder)trans-106.693.3-174.8-1710000108.7L36 G40 A41 Y43 I77 R79 G81 F84 Y115L36-V38 HydrophobicContact CB-CG2 4.4Å; V38-G40 PolarHBondContact O-N 2.93Å; V38-A41 PolarHBondContact N-O 3.02Å; V38-A41 WeakPolarHBondContact O-CB 3.36Å; V38-A41 PolarHBondContact O-N 2.84Å; V38-Y43 HydrophobicContact CB-CD2 4.41Å; V38-Y43 HydrophobicContact CB-CE2 4.33Å; V38-Y43 HydrophobicContact CG2-CD2 4.05Å; V38-Y43 HydrophobicContact CG2-CE2 4.39Å; V38-I77 WeakPolarHBondContact CA-O 3.33Å; V38-I77 HydrophobicContact CG1-CB 4.3Å; V38-I77 HydrophobicContact CG1-CG2 4.29Å; V38-I77 HydrophobicContact CG2-CB 4.2Å; V38-I77 HydrophobicContact CG2-CD1 4.17Å; V38-R79 CarbonylContact C-O 3.6Å; V38-R79 VanDerWaalsContact C-O 3.22Å; V38-R79 HydrophobicContact CG1-CB 3.99Å; V38-G81 WeakPolarHBondContact O-CA 3.22Å; V38-G81 PolarHBondContact O-N 3.22Å; V38-F84 HydrophobicContact CB-CG 4.32Å; V38-F84 HydrophobicContact CG1-CB 4.3Å; V38-F84 HydrophobicContact CG1-CD2 4.15Å; V38-F84 HydrophobicContact CG1-CG 4.19Å; V38-F84 HydrophobicContact CG2-CD1 3.72Å; V38-F84 HydrophobicContact CG2-CD2 4.04Å; V38-F84 HydrophobicContact CG2-CE1 3.77Å; V38-F84 HydrophobicContact CG2-CE2 4.1Å; V38-F84 HydrophobicContact CG2-CG 3.84Å; V38-F84 HydrophobicContact CG2-CZ 3.96Å; V38-Y115 WeakPolarHBondContact CG1-OH 3.41Å
39G94.1Very high86.3Confident55 Ų5568.1 Ų68.157%0.56738%0.379SS*.THydrogen-bonded Turntrans55.435.8-17800000114.1I77 R79G39-I77 PolarHBondContact N-O 2.85Å; G39-R79 WeakPolarHBondContact CA-O 3.47Å; G39-R79 PolarHBondContact N-O 3Å
40G93.2Very high88.4Confident60 Ų6061.4 Ų61.462%0.61934%0.335SS*.THydrogen-bonded Turntrans96.5-11.8-177.400000114.7N37 V38N37-G40 WeakPolarHBondContact OD1-CA 3.29Å; N37-G40 PolarHBondContact OD1-N 2.92Å; V38-G40 PolarHBondContact O-N 2.93Å
41A95.9Very high90.4Very high29 Ų2959.2 Ų59.224%0.2432%0.318CS..EExtended strand (participates in β ladder)trans-88.8123.9174.900000111.1V38 Y43V38-A41 PolarHBondContact N-O 3.02Å; V38-A41 WeakPolarHBondContact O-CB 3.36Å; V38-A41 PolarHBondContact O-N 2.84Å; A41-Y43 HydrophobicContact CB-CD2 4.39Å; A41-Y43 HydrophobicContact CB-CE2 3.53Å; A41-Y43 WeakPolarHBondContact O-CD2 3.15Å
42L96.3Very high92Very high97 Ų9761.5 Ų61.551%0.50832%0.318SS..EExtended strand (participates in β ladder)trans-93.4126.5-173.4-57.8-176.3000111.4N37 W74N37-L42 HydrophobicContact CB-CD2 3.87Å; L42-W74 HydrophobicContact CB-CH2 3.62Å; L42-W74 HydrophobicContact CB-CZ2 4.4Å; L42-W74 HydrophobicContact CB-CZ3 3.76Å; L42-W74 HydrophobicContact CD1-CH2 4Å; L42-W74 HydrophobicContact CD1-CZ2 3.94Å; L42-W74 HydrophobicContact CD2-CD2 4.09Å; L42-W74 HydrophobicContact CD2-CE3 3.87Å; L42-W74 HydrophobicContact CD2-CH2 3.94Å; L42-W74 HydrophobicContact CD2-CZ2 4.12Å; L42-W74 HydrophobicContact CD2-CZ3 3.81Å; L42-W74 HydrophobicContact CG-CH2 4.05Å; L42-W74 HydrophobicContact CG-CZ2 4.38Å; L42-W74 HydrophobicContact CG-CZ3 4.26Å
43Y96.7Very high92.8Very high49 Ų4956 Ų5619%0.19230%0.295CS..EExtended strand (participates in β ladder)trans-128.7142.2179.5-64.3-85.8000112.2L36 V38 A41 G81 F84 L88L36-Y43 PolarHBondContact N-O 3.22Å; L36-Y43 PolarHBondContact O-N 2.77Å; V38-Y43 HydrophobicContact CB-CD2 4.41Å; V38-Y43 HydrophobicContact CB-CE2 4.33Å; V38-Y43 HydrophobicContact CG2-CD2 4.05Å; V38-Y43 HydrophobicContact CG2-CE2 4.39Å; A41-Y43 HydrophobicContact CB-CD2 4.39Å; A41-Y43 HydrophobicContact CB-CE2 3.53Å; A41-Y43 WeakPolarHBondContact O-CD2 3.15Å; Y43-G81 PolarHBondContact OH-O 3.44Å; Y43-F84 HydrophobicContact CD1-CD1 4.08Å; Y43-F84 HydrophobicContact CD2-CB 4.45Å; Y43-F84 AromaticContact CD2-CD1 3.39Å; Y43-F84 HydrophobicContact CD2-CD1 3.39Å; Y43-F84 HydrophobicContact CD2-CE1 4.02Å; Y43-F84 HydrophobicContact CD2-CG 4.28Å; Y43-F84 HydrophobicContact CE1-CD1 4.29Å; Y43-F84 HydrophobicContact CE2-CB 3.79Å; Y43-F84 AromaticContact CE2-CD1 3.61Å; Y43-F84 HydrophobicContact CE2-CD1 3.61Å; Y43-F84 HydrophobicContact CE2-CG 4.1Å; Y43-F84 AromaticContact CG-CD1 3.64Å; Y43-F84 HydrophobicContact CG-CD1 3.64Å; Y43-F84 HydrophobicContact CG-CE1 4.08Å; Y43-L88 HydrophobicContact CD1-CD1 3.87Å; Y43-L88 HydrophobicContact CG-CD1 4.15Å
44Y94.8Very high92.9Very high129 Ų12955.8 Ų55.851%0.50630%0.304SS..EExtended strand (participates in β ladder)trans-114.9131.3169.3-69.3-96.2000109.4V34 K35 W74V34-Y44 WeakPolarHBondContact O-CA 3.12Å; K35-Y44 HydrophobicContact CD-CE1 3.98Å; K35-Y44 HydrophobicContact CG-CD1 4.04Å; K35-Y44 HydrophobicContact CG-CE1 3.61Å; Y44-W74 HydrophobicContact CD2-CH2 4.28Å; Y44-W74 HydrophobicContact CE1-CH2 4.39Å; Y44-W74 AromaticContact CE2-CH2 3.47Å; Y44-W74 HydrophobicContact CE2-CH2 3.47Å; Y44-W74 VanDerWaalsContact CE2-CH2 3.47Å; Y44-W74 HydrophobicContact CE2-CZ2 4.25Å; Y44-W74 HydrophobicContact CE2-CZ3 4.3Å; Y44-W74 AromaticContact CZ-CH2 3.53Å; Y44-W74 AromaticContact CZ-CZ2 3.96Å; Y44-W74 WeakPolarHBondContact OH-CH2 3.36Å; Y44-W74 WeakPolarHBondContact OH-CZ2 3.46Å
45T94.5Very high93Very high2 Ų255.8 Ų55.81%0.01230%0.304CS..EExtended strand (participates in β ladder)trans-151.1-177176.4-162.90000110.3Y33 V34 L36 L50 L88Y33-T45 CarbonylContact C-O 3.22Å; Y33-T45 VanDerWaalsContact CA-O 3.26Å; Y33-T45 WeakPolarHBondContact CA-O 3.49Å; V34-T45 PolarHBondContact N-O 2.95Å; V34-T45 PolarHBondContact O-N 3.03Å; V34-T45 VanDerWaalsContact O-N 3.12Å; L36-T45 HydrophobicContact CD1-CG2 3.73Å; T45-L50 HydrophobicContact CG2-CD1 3.62Å; T45-L50 HydrophobicContact CG2-CD2 3.88Å; T45-L50 HydrophobicContact CG2-CG 3.64Å; T45-L88 HydrophobicContact CG2-CD2 4.11Å
46T91.6Very high92.9Very high34 Ų3453.8 Ų53.821%0.20930%0.296CS..EExtended strand (participates in β ladder)trans-106.9155.9177.267.70000110.8K32 Y33 Q48 T49 L50K32-T46 WeakPolarHBondContact O-CB 3.4Å; K32-T46 WeakPolarHBondContact O-CG2 3.28Å; Y33-T46 HydrophobicContact CD1-CG2 4.1Å; Y33-T46 HydrophobicContact CE1-CG2 3.99Å; T46-Q48 PolarHBondContact O-N 3.3Å; T46-T49 PolarHBondContact O-N 2.94Å; T46-T49 PolarHBondContact OG1-N 2.85Å; T46-T49 PolarHBondContact OG1-OG1 2.85Å; T46-L50 PolarHBondContact O-N 2.85Å
47M88.5Confident92.7Very high55 Ų5553.8 Ų53.827%0.27130%0.296SS..Hα-helixtrans-54.6-39.9170.4-73.5-64.3-64.500111F24 V34 T49 L50 T51 F61F24-M47 HydrophobicContact CD1-CE 4.42Å; F24-M47 HydrophobicContact CE1-CE 3.7Å; F24-M47 HydrophobicContact CE1-SD 3.84Å; F24-M47 HydrophobicContact CZ-CE 4.38Å; F24-M47 HydrophobicContact CZ-SD 3.9Å; V34-M47 HydrophobicContact CG2-CG 3.63Å; V34-M47 HydrophobicContact CG2-SD 3.44Å; V34-M47 WeakPolarHBondContact CG2-SD 3.47Å; M47-T49 VanDerWaalsContact C-N 3.31Å; M47-T49 PolarHBondContact O-N 3.07Å; M47-L50 PolarHBondContact O-N 2.9Å; M47-L50 VanDerWaalsContact O-N 3.12Å; M47-T51 HydrophobicContact CE-CG2 4.32Å; M47-T51 WeakPolarHBondContact O-CG2 3.5Å; M47-T51 PolarHBondContact O-N 3.45Å; M47-T51 PolarHBondContact O-OG1 3.06Å; M47-F61 HydrophobicContact CE-CB 3.82Å; M47-F61 HydrophobicContact CE-CD1 4.16Å; M47-F61 HydrophobicContact CE-CG 4.42Å; M47-F61 WeakPolarHBondContact CE-O 3.45Å; M47-F61 HydrophobicContact SD-CB 4.34Å; M47-F61 HydrophobicContact SD-CD1 3.7Å; M47-F61 HydrophobicContact SD-CE1 4.46Å; M47-F61 HydrophobicContact SD-CG 4.33Å
48Q90.2Very high92.5Very high158 Ų15855.6 Ų55.674%0.73830%0.302SS*.Hα-helixtrans-56.1-43.6178.8-174.1-1796.900112.2T46 K52T46-Q48 PolarHBondContact O-N 3.3Å; Q48-K52 WeakPolarHBondContact O-CB 3.47Å; Q48-K52 PolarHBondContact O-N 3.12Å; Q48-K52 VanDerWaalsContact O-N 3.09Å
49T92.3Very high92Very high17 Ų1757.2 Ų57.210%0.10432%0.316CS..Hα-helixtrans-64.8-45.6176.5-61.30000111.5T46 M47 T51 K52 L91 R92T46-T49 PolarHBondContact O-N 2.94Å; T46-T49 PolarHBondContact OG1-N 2.85Å; T46-T49 PolarHBondContact OG1-OG1 2.85Å; M47-T49 VanDerWaalsContact C-N 3.31Å; M47-T49 PolarHBondContact O-N 3.07Å; T49-T51 VanDerWaalsContact C-N 3.31Å; T49-T51 PolarHBondContact O-N 3.15Å; T49-K52 PolarHBondContact O-N 2.75Å; T49-L91 HydrophobicContact CG2-CB 3.78Å; T49-R92 HydrophobicContact CG2-CG 3.67Å
50L91.8Very high91.6Very high0 Ų055.3 Ų55.30%029%0.292CS..Hα-helixtrans-69.6-27.1-176.3-64.4169.6000113.2V34 L36 T45 T46 M47 L57 K58 F61 L88V34-L50 HydrophobicContact CB-CD1 4.08Å; V34-L50 HydrophobicContact CG1-CD1 3.93Å; V34-L50 HydrophobicContact CG2-CD1 4.17Å; L36-L50 HydrophobicContact CD1-CD1 4.23Å; L36-L50 HydrophobicContact CD1-CD2 4.13Å; T45-L50 HydrophobicContact CG2-CD1 3.62Å; T45-L50 HydrophobicContact CG2-CD2 3.88Å; T45-L50 HydrophobicContact CG2-CG 3.64Å; T46-L50 PolarHBondContact O-N 2.85Å; M47-L50 PolarHBondContact O-N 2.9Å; M47-L50 VanDerWaalsContact O-N 3.12Å; L50-L57 HydrophobicContact CD2-CB 4.31Å; L50-L57 HydrophobicContact CD2-CD1 4.07Å; L50-K58 WeakPolarHBondContact O-CA 3.46Å; L50-K58 PolarHBondContact O-N 2.81Å; L50-F61 HydrophobicContact CB-CD2 4.12Å; L50-F61 HydrophobicContact CB-CG 4.41Å; L50-F61 HydrophobicContact CD1-CD1 4.21Å; L50-F61 HydrophobicContact CD1-CD2 3.77Å; L50-F61 HydrophobicContact CD1-CE1 4.07Å; L50-F61 HydrophobicContact CD1-CE2 3.68Å; L50-F61 HydrophobicContact CD1-CG 4.08Å; L50-F61 HydrophobicContact CD1-CZ 3.84Å; L50-F61 HydrophobicContact CG-CD2 4.39Å; L50-L88 HydrophobicContact CD2-CD2 4.09Å
51T89.8Confident91.3Very high53 Ų5352.8 Ų52.833%0.32526%0.264SS..Hα-helixtrans-103.51.7-179.565.50000114M47 T49 Q53 K58 F61M47-T51 HydrophobicContact CE-CG2 4.32Å; M47-T51 WeakPolarHBondContact O-CG2 3.5Å; M47-T51 PolarHBondContact O-N 3.45Å; M47-T51 PolarHBondContact O-OG1 3.06Å; T49-T51 VanDerWaalsContact C-N 3.31Å; T49-T51 PolarHBondContact O-N 3.15Å; T51-Q53 PolarHBondContact O-N 2.76Å; T51-K58 HydrophobicContact CG2-CG 4.43Å; T51-F61 HydrophobicContact CG2-CB 4.27Å
52K89.1Confident90.4Very high122 Ų12254.1 Ų54.153%0.5327%0.272SS..SBendtrans-62.5-40.9-175.8-165.3-171.6-174.8-172.90112.5Q48 T49 L91 R92Q48-K52 WeakPolarHBondContact O-CB 3.47Å; Q48-K52 PolarHBondContact O-N 3.12Å; Q48-K52 VanDerWaalsContact O-N 3.09Å; T49-K52 PolarHBondContact O-N 2.75Å; K52-L91 WeakPolarHBondContact CD-O 3.45Å; K52-R92 PolarHBondContact NZ-O 3.32Å
53Q89.3Confident89.3Confident50 Ų5050.6 Ų50.623%0.23426%0.259CS..SBendtrans-118157.5-175.3-60.6-175.51800110.5T51 T55 K58 L91T51-Q53 PolarHBondContact O-N 2.76Å; Q53-T55 HydrophobicContact CB-CG2 3.95Å; Q53-T55 PolarHBondContact O-N 3Å; Q53-K58 WeakPolarHBondContact O-CB 3.45Å; Q53-K58 WeakPolarHBondContact O-CD 3.48Å; Q53-L91 HydrophobicContact CB-CD2 4.13Å; Q53-L91 HydrophobicContact CG-CD2 4.21Å
54D90.1Very high88.1Confident138 Ų13859 Ų5974%0.73829%0.29SS*.SBendtrans-78.290178.6-15048.2000111.2K58D54-K58 IonicContact OD1-NZ 3.87Å; D54-K58 PolarHBondContact OD1-NZ 3.26Å
55T93.1Very high87.3Confident10 Ų1056.2 Ų56.26%0.06128%0.283CS..SBendtrans-133.5167.4-171.460.60000110.8Q53 L57 K58 A59 L91 Y115 V117Q53-T55 HydrophobicContact CB-CG2 3.95Å; Q53-T55 PolarHBondContact O-N 3Å; T55-L57 PolarHBondContact O-N 3.44Å; T55-K58 WeakPolarHBondContact O-CB 3.36Å; T55-K58 PolarHBondContact O-N 3Å; T55-K58 VanDerWaalsContact O-N 3.13Å; T55-K58 PolarHBondContact OG1-N 3.47Å; T55-A59 PolarHBondContact O-N 3.24Å; T55-L91 HydrophobicContact CG2-CD2 4.05Å; T55-Y115 WeakPolarHBondContact CB-O 3.26Å; T55-V117 HydrophobicContact CG2-CG2 3.96Å
56M91.3Very high86.5Confident37 Ų3763.1 Ų63.118%0.18232%0.315CS..Hα-helixtrans-56.3-39171.7-177.3-168.3174.300111.1K58 A59 M60 M65 Y114 Y115 L116M56-K58 PolarHBondContact O-N 3.3Å; M56-A59 WeakPolarHBondContact O-CA 3.38Å; M56-A59 WeakPolarHBondContact O-CB 3.43Å; M56-A59 PolarHBondContact O-N 2.93Å; M56-M60 HydrophobicContact CE-SD 4.02Å; M56-M60 HydrophobicContact CG-SD 4.49Å; M56-M60 WeakPolarHBondContact O-CG 3.44Å; M56-M60 PolarHBondContact O-N 2.75Å; M56-M65 HydrophobicContact CE-CE 4.19Å; M56-Y114 HydrophobicContact CE-CE1 4.17Å; M56-Y114 HydrophobicContact SD-CD1 4.24Å; M56-Y114 HydrophobicContact SD-CE1 3.8Å; M56-Y115 WeakPolarHBondContact CB-O 3.44Å; M56-Y115 PolarHBondContact N-O 3.29Å; M56-L116 HydrophobicContact CB-CB 4.5Å; M56-L116 HydrophobicContact CB-CD1 4.2Å; M56-L116 HydrophobicContact CB-CG 4.24Å
57L91.9Very high86.2Confident0 Ų061.6 Ų61.60%031%0.306CS..Hα-helixtrans-60.4-45177.5-67.1170.5000110.7L50 T55 A59 M60 F61 I77 F84 I87 L91 Y115L50-L57 HydrophobicContact CD2-CB 4.31Å; L50-L57 HydrophobicContact CD2-CD1 4.07Å; T55-L57 PolarHBondContact O-N 3.44Å; L57-A59 PolarHBondContact O-N 3.33Å; L57-M60 HydrophobicContact CD2-SD 4.31Å; L57-M60 WeakPolarHBondContact O-CB 3.49Å; L57-M60 PolarHBondContact O-N 3.33Å; L57-M60 VanDerWaalsContact O-N 3.15Å; L57-F61 WeakPolarHBondContact O-CD2 3.44Å; L57-F61 PolarHBondContact O-N 3.28Å; L57-I77 HydrophobicContact CD2-CD1 4.05Å; L57-F84 HydrophobicContact CD1-CE2 4.23Å; L57-F84 HydrophobicContact CD1-CZ 4.35Å; L57-F84 HydrophobicContact CD2-CE2 4.45Å; L57-F84 HydrophobicContact CD2-CZ 4.49Å; L57-I87 HydrophobicContact CD1-CG2 4.46Å; L57-L91 HydrophobicContact CD1-CD1 3.84Å; L57-Y115 HydrophobicContact CD1-CD1 4.18Å; L57-Y115 HydrophobicContact CD1-CG 4.44Å; L57-Y115 HydrophobicContact CD2-CD1 3.88Å; L57-Y115 HydrophobicContact CD2-CE1 4.08Å; L57-Y115 HydrophobicContact CG-CD1 3.86Å; L57-Y115 HydrophobicContact CG-CG 4.48Å
58K90.8Very high86.3Confident72 Ų7262.8 Ų62.831%0.31331%0.313SS..Hα-helixtrans-56.8-39.8174.1-179.8-178.9170.8-162.10112L50 T51 Q53 D54 T55 M56 F61 S62L50-K58 WeakPolarHBondContact O-CA 3.46Å; L50-K58 PolarHBondContact O-N 2.81Å; T51-K58 HydrophobicContact CG2-CG 4.43Å; Q53-K58 WeakPolarHBondContact O-CB 3.45Å; Q53-K58 WeakPolarHBondContact O-CD 3.48Å; D54-K58 IonicContact OD1-NZ 3.87Å; D54-K58 PolarHBondContact OD1-NZ 3.26Å; T55-K58 WeakPolarHBondContact O-CB 3.36Å; T55-K58 PolarHBondContact O-N 3Å; T55-K58 VanDerWaalsContact O-N 3.13Å; T55-K58 PolarHBondContact OG1-N 3.47Å; M56-K58 PolarHBondContact O-N 3.3Å; K58-F61 CarbonylContact O-C 3.57Å; K58-F61 PolarHBondContact O-N 3.28Å; K58-S62 WeakPolarHBondContact O-CB 3.18Å; K58-S62 PolarHBondContact O-N 3.05Å
59A87.3Confident86.3Confident34 Ų3456.4 Ų56.428%0.28129%0.285SS..Hα-helixtrans-64.7-46.2176.300000112.2T55 M56 L57 F61 S62 M65T55-A59 PolarHBondContact O-N 3.24Å; M56-A59 WeakPolarHBondContact O-CA 3.38Å; M56-A59 WeakPolarHBondContact O-CB 3.43Å; M56-A59 PolarHBondContact O-N 2.93Å; L57-A59 PolarHBondContact O-N 3.33Å; A59-F61 PolarHBondContact O-N 3.44Å; A59-S62 PolarHBondContact O-N 3.29Å; A59-S62 PolarHBondContact O-OG 3.17Å; A59-M65 HydrophobicContact CB-SD 3.67Å
60M86.4Confident86.2Confident16 Ų1657.1 Ų57.18%0.07929%0.288CS..Hα-helixtrans-54.5-41.2174.3-67.5-179.282.600112.1M56 L57 M65 V67 I77M56-M60 HydrophobicContact CE-SD 4.02Å; M56-M60 HydrophobicContact CG-SD 4.49Å; M56-M60 WeakPolarHBondContact O-CG 3.44Å; M56-M60 PolarHBondContact O-N 2.75Å; L57-M60 HydrophobicContact CD2-SD 4.31Å; L57-M60 WeakPolarHBondContact O-CB 3.49Å; L57-M60 PolarHBondContact O-N 3.33Å; L57-M60 VanDerWaalsContact O-N 3.15Å; M60-M65 HydrophobicContact CG-CE 3.98Å; M60-M65 HydrophobicContact CG-SD 4.09Å; M60-V67 HydrophobicContact CB-CG1 4.03Å; M60-V67 HydrophobicContact CE-CG1 3.9Å; M60-I77 HydrophobicContact CE-CG1 4.37Å
61F84.9Confident86.1Confident7 Ų761.9 Ų61.93%0.03132%0.321CS..THydrogen-bonded Turntrans-942.3-176-73.1-77.2000114.5F24 V34 L36 M47 L50 T51 L57 K58 A59 I75F24-F61 HydrophobicContact CE1-CD1 4.45Å; F24-F61 HydrophobicContact CZ-CD1 4.46Å; V34-F61 HydrophobicContact CG1-CD1 4.41Å; V34-F61 HydrophobicContact CG1-CE1 3.47Å; V34-F61 VanDerWaalsContact CG1-CE1 3.47Å; V34-F61 HydrophobicContact CG1-CZ 3.8Å; L36-F61 HydrophobicContact CD2-CE2 4.02Å; L36-F61 HydrophobicContact CD2-CZ 3.69Å; M47-F61 HydrophobicContact CE-CB 3.82Å; M47-F61 HydrophobicContact CE-CD1 4.16Å; M47-F61 HydrophobicContact CE-CG 4.42Å; M47-F61 WeakPolarHBondContact CE-O 3.45Å; M47-F61 HydrophobicContact SD-CB 4.34Å; M47-F61 HydrophobicContact SD-CD1 3.7Å; M47-F61 HydrophobicContact SD-CE1 4.46Å; M47-F61 HydrophobicContact SD-CG 4.33Å; L50-F61 HydrophobicContact CB-CD2 4.12Å; L50-F61 HydrophobicContact CB-CG 4.41Å; L50-F61 HydrophobicContact CD1-CD1 4.21Å; L50-F61 HydrophobicContact CD1-CD2 3.77Å; L50-F61 HydrophobicContact CD1-CE1 4.07Å; L50-F61 HydrophobicContact CD1-CE2 3.68Å; L50-F61 HydrophobicContact CD1-CG 4.08Å; L50-F61 HydrophobicContact CD1-CZ 3.84Å; L50-F61 HydrophobicContact CG-CD2 4.39Å; T51-F61 HydrophobicContact CG2-CB 4.27Å; L57-F61 WeakPolarHBondContact O-CD2 3.44Å; L57-F61 PolarHBondContact O-N 3.28Å; K58-F61 CarbonylContact O-C 3.57Å; K58-F61 PolarHBondContact O-N 3.28Å; A59-F61 PolarHBondContact O-N 3.44Å; F61-I75 HydrophobicContact CD1-CD1 4.42Å; F61-I75 HydrophobicContact CE1-CD1 3.26Å; F61-I75 HydrophobicContact CZ-CD1 3.55Å; F61-I75 HydrophobicContact CZ-CG2 4.18Å
62S78.2Confident85.9Confident56 Ų5665.7 Ų65.739%0.39234%0.335SS..THydrogen-bonded Turntrans-88-3.1175.669.30000114K58 A59 R64K58-S62 WeakPolarHBondContact O-CB 3.18Å; K58-S62 PolarHBondContact O-N 3.05Å; A59-S62 PolarHBondContact O-N 3.29Å; A59-S62 PolarHBondContact O-OG 3.17Å; S62-R64 PolarHBondContact O-N 3.28Å; S62-R64 WeakPolarHBondContact OG-CB 3.5Å; S62-R64 WeakPolarHBondContact OG-CD 3.25Å; S62-R64 WeakPolarHBondContact OG-CG 3.46Å
63G73.1Confident85.8Confident23 Ų2361.7 Ų61.724%0.23733%0.328CS..THydrogen-bonded Turntrans78.62.1-173.700000114.3S23 F24S23-G63 PolarHBondContact OG-O 3.17Å; S23-G63 VanDerWaalsContact OG-O 3.07Å; F24-G63 WeakPolarHBondContact O-CA 3.32Å
64R70.8Confident86Confident226 Ų22660 Ų6085%0.85332%0.32SS*.SBendtrans-87.3-11.7-179.3-61.9178.6-176.8-172.90.2114S62S62-R64 PolarHBondContact O-N 3.28Å; S62-R64 WeakPolarHBondContact OG-CB 3.5Å; S62-R64 WeakPolarHBondContact OG-CD 3.25Å; S62-R64 WeakPolarHBondContact OG-CG 3.46Å
65M77.6Confident86.1Confident70 Ų7053.7 Ų53.735%0.34529%0.286SS..SBendtrans-124.8147.9177-72.3175.266.300109.6M56 A59 M60M56-M65 HydrophobicContact CE-CE 4.19Å; A59-M65 HydrophobicContact CB-SD 3.67Å; M60-M65 HydrophobicContact CG-CE 3.98Å; M60-M65 HydrophobicContact CG-SD 4.09Å
66E78.3Confident86.1Confident147 Ų14755.4 Ų55.469%0.68730%0.295SS*.EExtended strand (participates in β ladder)trans-76.1137.6170.2-66.6-174164.200110T21T21-E66 HydrophobicContact CG2-CB 3.7Å; T21-E66 HydrophobicContact CG2-CG 4.18Å; T21-E66 WeakPolarHBondContact CG2-OE2 3.41Å
67V85.8Confident86.3Confident3 Ų354 Ų542%0.01829%0.288CS..EExtended strand (participates in β ladder)trans-122.1141.8175.9-62.80000109.8T22 F24 M60 I75T22-V67 PolarHBondContact N-O 3.3Å; T22-V67 VanDerWaalsContact N-O 3.07Å; T22-V67 PolarHBondContact O-N 2.95Å; F24-V67 HydrophobicContact CB-CG2 4.24Å; M60-V67 HydrophobicContact CB-CG1 4.03Å; M60-V67 HydrophobicContact CE-CG1 3.9Å; V67-I75 HydrophobicContact CB-CG2 4.1Å; V67-I75 HydrophobicContact CG1-CG2 4.49Å
68L89.9Confident86.4Confident80 Ų8061.4 Ų61.442%0.41933%0.327SS..EExtended strand (participates in β ladder)trans-82.1126.4173.5-68.5174.9000108.6T21 I75 L76T21-L68 WeakPolarHBondContact OG1-CD2 3.14Å; L68-I75 WeakPolarHBondContact O-CA 3.49Å; L68-L76 HydrophobicContact CB-CB 4.19Å; L68-L76 PolarHBondContact O-N 3.19Å
69T90.6Very high86.6Confident24 Ų2461.5 Ų61.515%0.14733%0.326CS..EExtended strand (participates in β ladder)trans-124.6137.8176.2-47.60000109.3R20 W74R20-T69 PolarHBondContact N-O 2.89Å; R20-T69 PolarHBondContact O-N 3.17Å; T69-W74 VanDerWaalsContact CA-O 3.28Å; T69-W74 WeakPolarHBondContact CA-O 3.47Å; T69-W74 WeakPolarHBondContact CG2-O 3.48Å
70D90.9Very high86.9Confident32 Ų3263.4 Ų63.417%0.17134%0.336CS..  trans-82.1-179.1173.873.48.9000112.6E72 G73 W74 L76D70-E72 PolarHBondContact O-N 3.12Å; D70-E72 WeakPolarHBondContact OD1-CA 3.21Å; D70-E72 PolarHBondContact OD1-N 2.99Å; D70-G73 PolarHBondContact O-N 2.72Å; D70-G73 PolarHBondContact OD1-N 3.26Å; D70-W74 PolarHBondContact N-O 3.45Å; D70-W74 PolarHBondContact OD1-N 3.13Å; D70-W74 WeakPolarHBondContact OD2-CB 3.3Å; D70-W74 VanDerWaalsContact OD2-CD1 3.26Å; D70-L76 HydrophobicContact CB-CD1 4.47Å; D70-L76 HydrophobicContact CB-CD2 4.4Å
71S88.5Confident87.3Confident100 Ų10062.9 Ų62.970%0.69934%0.335SS*.THydrogen-bonded Turntrans-66.7-17.8178.351.20000114.4
72E86.5Confident87.8Confident132 Ų13267.8 Ų67.862%0.61736%0.357SS*.THydrogen-bonded Turntrans-98-1.5-179.5-61.5-170162.900112.9K35 D70 W74K35-E72 PolarHBondContact NZ-O 2.92Å; D70-E72 PolarHBondContact O-N 3.12Å; D70-E72 WeakPolarHBondContact OD1-CA 3.21Å; D70-E72 PolarHBondContact OD1-N 2.99Å; E72-W74 PolarHBondContact OE2-NE1 2.92Å
73G87.4Confident88.7Confident38 Ų3865.9 Ų65.939%0.39234%0.341SS..  trans86.118.3179.200000114.2D70D70-G73 PolarHBondContact O-N 2.72Å; D70-G73 PolarHBondContact OD1-N 3.26Å
74W91.9Very high89.9Confident14 Ų1464.8 Ų64.85%0.05333%0.33CS..PPolyproline II helixtrans-79.4128.6170.8-64.995.2000110.7K35 L36 N37 L42 Y44 T69 D70 E72 L76K35-W74 HydrophobicContact CB-CD2 3.92Å; K35-W74 HydrophobicContact CB-CE3 3.58Å; K35-W74 HydrophobicContact CB-CG 4.49Å; K35-W74 HydrophobicContact CB-CH2 4.44Å; K35-W74 HydrophobicContact CB-CZ3 3.86Å; K35-W74 HydrophobicContact CD-CD2 4.3Å; K35-W74 HydrophobicContact CD-CZ2 4.32Å; L36-W74 VanDerWaalsContact C-CE3 3.46Å; L36-W74 VanDerWaalsContact O-CZ3 3.29Å; L36-W74 WeakPolarHBondContact O-CZ3 3.37Å; N37-W74 HydrophobicContact CB-CB 4.03Å; N37-W74 HydrophobicContact CB-CD2 4.47Å; N37-W74 HydrophobicContact CB-CE3 4.15Å; N37-W74 HydrophobicContact CB-CG 4.44Å; L42-W74 HydrophobicContact CB-CH2 3.62Å; L42-W74 HydrophobicContact CB-CZ2 4.4Å; L42-W74 HydrophobicContact CB-CZ3 3.76Å; L42-W74 HydrophobicContact CD1-CH2 4Å; L42-W74 HydrophobicContact CD1-CZ2 3.94Å; L42-W74 HydrophobicContact CD2-CD2 4.09Å; L42-W74 HydrophobicContact CD2-CE3 3.87Å; L42-W74 HydrophobicContact CD2-CH2 3.94Å; L42-W74 HydrophobicContact CD2-CZ2 4.12Å; L42-W74 HydrophobicContact CD2-CZ3 3.81Å; L42-W74 HydrophobicContact CG-CH2 4.05Å; L42-W74 HydrophobicContact CG-CZ2 4.38Å; L42-W74 HydrophobicContact CG-CZ3 4.26Å; Y44-W74 HydrophobicContact CD2-CH2 4.28Å; Y44-W74 HydrophobicContact CE1-CH2 4.39Å; Y44-W74 AromaticContact CE2-CH2 3.47Å; Y44-W74 HydrophobicContact CE2-CH2 3.47Å; Y44-W74 VanDerWaalsContact CE2-CH2 3.47Å; Y44-W74 HydrophobicContact CE2-CZ2 4.25Å; Y44-W74 HydrophobicContact CE2-CZ3 4.3Å; Y44-W74 AromaticContact CZ-CH2 3.53Å; Y44-W74 AromaticContact CZ-CZ2 3.96Å; Y44-W74 WeakPolarHBondContact OH-CH2 3.36Å; Y44-W74 WeakPolarHBondContact OH-CZ2 3.46Å; T69-W74 VanDerWaalsContact CA-O 3.28Å; T69-W74 WeakPolarHBondContact CA-O 3.47Å; T69-W74 WeakPolarHBondContact CG2-O 3.48Å; D70-W74 PolarHBondContact N-O 3.45Å; D70-W74 PolarHBondContact OD1-N 3.13Å; D70-W74 WeakPolarHBondContact OD2-CB 3.3Å; D70-W74 VanDerWaalsContact OD2-CD1 3.26Å; E72-W74 PolarHBondContact OE2-NE1 2.92Å; W74-L76 HydrophobicContact CB-CD2 4.2Å; W74-L76 PolarHBondContact O-N 3.3Å
75I92.8Very high91.1Very high7 Ų755 Ų554%0.03630%0.3CS..EExtended strand (participates in β ladder)trans-81.7120.6171.1-65.8167.6000108F24 V34 K35 L36 N37 F61 V67 L68F24-I75 HydrophobicContact CD2-CD1 4.17Å; F24-I75 HydrophobicContact CE2-CD1 4.15Å; V34-I75 HydrophobicContact CG1-CD1 4.06Å; K35-I75 PolarHBondContact O-N 2.93Å; L36-I75 HydrophobicContact CD2-CB 4.3Å; L36-I75 HydrophobicContact CD2-CG2 4.31Å; N37-I75 PolarHBondContact N-O 3.07Å; F61-I75 HydrophobicContact CD1-CD1 4.42Å; F61-I75 HydrophobicContact CE1-CD1 3.26Å; F61-I75 HydrophobicContact CZ-CD1 3.55Å; F61-I75 HydrophobicContact CZ-CG2 4.18Å; V67-I75 HydrophobicContact CB-CG2 4.1Å; V67-I75 HydrophobicContact CG1-CG2 4.49Å; L68-I75 WeakPolarHBondContact O-CA 3.49Å
76L93.7Very high92.1Very high46 Ų4653.3 Ų53.324%0.24129%0.293CS..EExtended strand (participates in β ladder)trans-89.9128.6-173-52.5-175.7000110.3T19 N37 L68 D70 W74T19-L76 HydrophobicContact CG2-CD1 3.57Å; N37-L76 HydrophobicContact CB-CD2 3.76Å; N37-L76 WeakPolarHBondContact O-CA 3.38Å; L68-L76 HydrophobicContact CB-CB 4.19Å; L68-L76 PolarHBondContact O-N 3.19Å; D70-L76 HydrophobicContact CB-CD1 4.47Å; D70-L76 HydrophobicContact CB-CD2 4.4Å; W74-L76 HydrophobicContact CB-CD2 4.2Å; W74-L76 PolarHBondContact O-N 3.3Å
77I94.3Very high93Very high8 Ų846.3 Ų46.34%0.04126%0.261CS..EExtended strand (participates in β ladder)trans-122.8120.6172.9-56.7-177.9000107.9L36 N37 V38 G39 L57 M60 R79 F84 Y115L36-I77 HydrophobicContact CD2-CD1 3.91Å; N37-I77 PolarHBondContact O-N 3.39Å; V38-I77 WeakPolarHBondContact CA-O 3.33Å; V38-I77 HydrophobicContact CG1-CB 4.3Å; V38-I77 HydrophobicContact CG1-CG2 4.29Å; V38-I77 HydrophobicContact CG2-CB 4.2Å; V38-I77 HydrophobicContact CG2-CD1 4.17Å; G39-I77 PolarHBondContact N-O 2.85Å; L57-I77 HydrophobicContact CD2-CD1 4.05Å; M60-I77 HydrophobicContact CE-CG1 4.37Å; I77-R79 HydrophobicContact CG2-CB 3.97Å; I77-R79 HydrophobicContact CG2-CG 3.81Å; I77-R79 PolarHBondContact O-N 2.96Å; I77-F84 HydrophobicContact CD1-CE2 4.48Å; I77-F84 HydrophobicContact CD1-CZ 4.46Å; I77-Y115 HydrophobicContact CD1-CE1 4.33Å; I77-Y115 HydrophobicContact CG2-CE1 4.12Å
78D94.7Very high93.5Very high154 Ų15446.3 Ų46.382%0.82426%0.26SS*.  trans-81.466.3178.8-170.722.3000111.1
79R95Very high93.8Very high74 Ų7445.6 Ų45.628%0.27926%0.257SS..SBendtrans-142.2161.4178.1-68.8-58.6-63.2176.7-1.6110.8V38 G39 I77 G81 E111 Y114 Y115V38-R79 CarbonylContact C-O 3.6Å; V38-R79 VanDerWaalsContact C-O 3.22Å; V38-R79 HydrophobicContact CG1-CB 3.99Å; G39-R79 WeakPolarHBondContact CA-O 3.47Å; G39-R79 PolarHBondContact N-O 3Å; I77-R79 HydrophobicContact CG2-CB 3.97Å; I77-R79 HydrophobicContact CG2-CG 3.81Å; I77-R79 PolarHBondContact O-N 2.96Å; R79-G81 PolarHBondContact O-N 3.25Å; R79-E111 IonicContact CZ-OE1 3.44Å; R79-E111 IonicContact CZ-OE2 3.65Å; R79-E111 IonicContact NE-OE1 3.47Å; R79-E111 PolarHBondContact NE-OE1 3.29Å; R79-E111 IonicContact NE-OE2 3Å; R79-E111 PolarHBondContact NE-OE2 3.15Å; R79-E111 IonicContact NH2-OE1 3.29Å; R79-E111 PolarHBondContact NH2-OE1 3.18Å; R79-E111 IonicContact NH2-OE2 3.63Å; R79-E111 PolarHBondContact NH2-OE2 3.17Å; R79-Y114 HydrophobicContact CG-CD1 3.71Å; R79-Y114 HydrophobicContact CG-CE1 3.35Å; R79-Y114 HydrophobicContact CG-CE2 4.25Å; R79-Y114 HydrophobicContact CG-CG 4.3Å; R79-Y115 WeakPolarHBondContact CB-OH 3.4Å
80C94Very high94.1Very high75 Ų7545.2 Ų45.251%0.50725%0.253SS..  trans-69.6122174.7-1760000110.7K82C80-K82 VanDerWaalsContact C-N 3.27Å; C80-K82 PolarHBondContact O-N 3.28Å
81G94.7Very high94.3Very high5 Ų543.7 Ų43.75%0.05225%0.245CC..G310 helixtrans-68.3-18.8178.200000115.5V38 Y43 R79 H83 F84V38-G81 WeakPolarHBondContact O-CA 3.22Å; V38-G81 PolarHBondContact O-N 3.22Å; Y43-G81 PolarHBondContact OH-O 3.44Å; R79-G81 PolarHBondContact O-N 3.25Å; G81-H83 VanDerWaalsContact C-N 3.26Å; G81-H83 PolarHBondContact O-N 2.99Å; G81-F84 WeakPolarHBondContact O-CB 3.5Å; G81-F84 PolarHBondContact O-N 2.69Å
82K95.8Very high94.6Very high110 Ų11043.5 Ų43.548%0.47823%0.229SC..G310 helixtrans-43.6-47.8-170.4-178.7-177173.9-171.40113.8C80 E104 E107C80-K82 VanDerWaalsContact C-N 3.27Å; C80-K82 PolarHBondContact O-N 3.28Å; K82-E104 IonicContact NZ-OE1 3.74Å; K82-E107 IonicContact NZ-OE1 3.63Å; K82-E107 IonicContact NZ-OE2 3.39Å; K82-E107 PolarHBondContact NZ-OE2 3.41Å
83H97.1Very high95Very high15 Ų1543 Ų437%0.06923%0.231CC..G310 helixtrans-101.6-0.5-175.1-67.9-62.4000114.1G81 G85 T86 I87 E107 L108 E111G81-H83 VanDerWaalsContact C-N 3.26Å; G81-H83 PolarHBondContact O-N 2.99Å; H83-G85 VanDerWaalsContact C-N 3.26Å; H83-G85 PolarHBondContact O-N 3.03Å; H83-T86 VanDerWaalsContact O-CB 3.32Å; H83-T86 WeakPolarHBondContact O-CB 3.33Å; H83-T86 PolarHBondContact O-N 3.27Å; H83-I87 PolarHBondContact O-N 3.29Å; H83-I87 VanDerWaalsContact O-N 3.17Å; H83-E107 IonicContact CD2-OE2 2.69Å; H83-E107 IonicContact CE1-OE2 3.75Å; H83-E107 WeakPolarHBondContact NE2-CB 3.44Å; H83-E107 IonicContact NE2-OE2 2.75Å; H83-E107 PolarHBondContact NE2-OE2 2.88Å; H83-L108 HydrophobicContact CB-CD1 3.88Å; H83-E111 HydrophobicContact CB-CG 4.33Å
84F97.5Very high95.2Very high0 Ų042.8 Ų42.80%023%0.228CC..Hα-helixtrans-66.5-29.5-174.6-169-100.6000112.7L36 V38 Y43 L57 I77 G81 T86 I87 L88 Y115L36-F84 HydrophobicContact CB-CE1 4.5Å; L36-F84 HydrophobicContact CD1-CE1 3.86Å; L36-F84 HydrophobicContact CD1-CZ 3.99Å; V38-F84 HydrophobicContact CB-CG 4.32Å; V38-F84 HydrophobicContact CG1-CB 4.3Å; V38-F84 HydrophobicContact CG1-CD2 4.15Å; V38-F84 HydrophobicContact CG1-CG 4.19Å; V38-F84 HydrophobicContact CG2-CD1 3.72Å; V38-F84 HydrophobicContact CG2-CD2 4.04Å; V38-F84 HydrophobicContact CG2-CE1 3.77Å; V38-F84 HydrophobicContact CG2-CE2 4.1Å; V38-F84 HydrophobicContact CG2-CG 3.84Å; V38-F84 HydrophobicContact CG2-CZ 3.96Å; Y43-F84 HydrophobicContact CD1-CD1 4.08Å; Y43-F84 HydrophobicContact CD2-CB 4.45Å; Y43-F84 AromaticContact CD2-CD1 3.39Å; Y43-F84 HydrophobicContact CD2-CD1 3.39Å; Y43-F84 HydrophobicContact CD2-CE1 4.02Å; Y43-F84 HydrophobicContact CD2-CG 4.28Å; Y43-F84 HydrophobicContact CE1-CD1 4.29Å; Y43-F84 HydrophobicContact CE2-CB 3.79Å; Y43-F84 AromaticContact CE2-CD1 3.61Å; Y43-F84 HydrophobicContact CE2-CD1 3.61Å; Y43-F84 HydrophobicContact CE2-CG 4.1Å; Y43-F84 AromaticContact CG-CD1 3.64Å; Y43-F84 HydrophobicContact CG-CD1 3.64Å; Y43-F84 HydrophobicContact CG-CE1 4.08Å; L57-F84 HydrophobicContact CD1-CE2 4.23Å; L57-F84 HydrophobicContact CD1-CZ 4.35Å; L57-F84 HydrophobicContact CD2-CE2 4.45Å; L57-F84 HydrophobicContact CD2-CZ 4.49Å; I77-F84 HydrophobicContact CD1-CE2 4.48Å; I77-F84 HydrophobicContact CD1-CZ 4.46Å; G81-F84 WeakPolarHBondContact O-CB 3.5Å; G81-F84 PolarHBondContact O-N 2.69Å; F84-T86 VanDerWaalsContact C-N 3.31Å; F84-T86 PolarHBondContact O-N 2.93Å; F84-I87 WeakPolarHBondContact O-CB 3.29Å; F84-I87 PolarHBondContact O-N 3.42Å; F84-L88 HydrophobicContact CD1-CD1 3.99Å; F84-L88 HydrophobicContact CD1-CG 4.06Å; F84-L88 HydrophobicContact CE1-CD1 3.77Å; F84-L88 HydrophobicContact CE1-CD2 4.01Å; F84-L88 HydrophobicContact CE1-CG 3.78Å; F84-L88 HydrophobicContact CZ-CD2 4.27Å; F84-L88 HydrophobicContact CZ-CG 4.39Å; F84-L88 PolarHBondContact O-N 3.23Å; F84-Y115 HydrophobicContact CD2-CE1 4.35Å; F84-Y115 AromaticContact CD2-CE2 3.72Å; F84-Y115 HydrophobicContact CD2-CE2 3.72Å; F84-Y115 AromaticContact CD2-CZ 3.61Å; F84-Y115 AromaticContact CE2-CE1 3.88Å; F84-Y115 HydrophobicContact CE2-CE1 3.88Å; F84-Y115 HydrophobicContact CE2-CE2 4.01Å; F84-Y115 AromaticContact CE2-CZ 3.61Å
85G96.9Very high95.3Very high22 Ų2244.9 Ų44.923%0.22725%0.248CC..Hα-helixtrans-59.1-41.9170.800000112.7H83 L88 N89H83-G85 VanDerWaalsContact C-N 3.26Å; H83-G85 PolarHBondContact O-N 3.03Å; G85-L88 PolarHBondContact O-N 2.92Å; G85-N89 PolarHBondContact O-N 3.22Å
86T97Very high95.4Very high33 Ų3345.6 Ų45.620%0.20225%0.253CS..Hα-helixtrans-65.3-41.6176.4-49.10000111.2H83 F84 L88 N89 Y90 V96 L108H83-T86 VanDerWaalsContact O-CB 3.32Å; H83-T86 WeakPolarHBondContact O-CB 3.33Å; H83-T86 PolarHBondContact O-N 3.27Å; F84-T86 VanDerWaalsContact C-N 3.31Å; F84-T86 PolarHBondContact O-N 2.93Å; T86-L88 VanDerWaalsContact C-N 3.34Å; T86-L88 PolarHBondContact O-N 3.07Å; T86-N89 PolarHBondContact O-N 3.28Å; T86-Y90 PolarHBondContact O-N 2.99Å; T86-V96 HydrophobicContact CG2-CB 4.38Å; T86-V96 HydrophobicContact CG2-CG1 3.81Å; T86-V96 HydrophobicContact CG2-CG2 3.68Å; T86-L108 HydrophobicContact CG2-CD1 3.91Å; T86-L108 HydrophobicContact CG2-CD2 3.93Å
87I97.4Very high95.3Very high0 Ų048.9 Ų48.90%028%0.277CS..Hα-helixtrans-56.8-48.3172.4-59-59000110.5L57 H83 F84 N89 Y90 L91 L108 E111 A112 Y115 V117 L120L57-I87 HydrophobicContact CD1-CG2 4.46Å; H83-I87 PolarHBondContact O-N 3.29Å; H83-I87 VanDerWaalsContact O-N 3.17Å; F84-I87 WeakPolarHBondContact O-CB 3.29Å; F84-I87 PolarHBondContact O-N 3.42Å; I87-N89 PolarHBondContact O-N 2.96Å; I87-Y90 PolarHBondContact O-N 3.05Å; I87-L91 HydrophobicContact CG2-CD1 4.36Å; I87-L91 WeakPolarHBondContact O-CG 3.36Å; I87-L91 PolarHBondContact O-N 3.39Å; I87-L108 HydrophobicContact CD1-CD1 3.99Å; I87-E111 HydrophobicContact CD1-CB 4.38Å; I87-E111 HydrophobicContact CG1-CB 4.48Å; I87-A112 HydrophobicContact CD1-CB 4.25Å; I87-Y115 HydrophobicContact CG1-CD2 4.21Å; I87-Y115 HydrophobicContact CG2-CD2 4.31Å; I87-V117 HydrophobicContact CG2-CG2 4.16Å; I87-L120 HydrophobicContact CD1-CD2 3.59Å
88L96.9Very high95.3Very high3 Ų351 Ų512%0.01629%0.288CS..Hα-helixtrans-62.6-41178.5-72.8179.7000112.6Y43 T45 L50 F84 G85 T86 L91 R92Y43-L88 HydrophobicContact CD1-CD1 3.87Å; Y43-L88 HydrophobicContact CG-CD1 4.15Å; T45-L88 HydrophobicContact CG2-CD2 4.11Å; L50-L88 HydrophobicContact CD2-CD2 4.09Å; F84-L88 HydrophobicContact CD1-CD1 3.99Å; F84-L88 HydrophobicContact CD1-CG 4.06Å; F84-L88 HydrophobicContact CE1-CD1 3.77Å; F84-L88 HydrophobicContact CE1-CD2 4.01Å; F84-L88 HydrophobicContact CE1-CG 3.78Å; F84-L88 HydrophobicContact CZ-CD2 4.27Å; F84-L88 HydrophobicContact CZ-CG 4.39Å; F84-L88 PolarHBondContact O-N 3.23Å; G85-L88 PolarHBondContact O-N 2.92Å; T86-L88 VanDerWaalsContact C-N 3.34Å; T86-L88 PolarHBondContact O-N 3.07Å; L88-L91 PolarHBondContact O-N 2.72Å; L88-R92 VanDerWaalsContact O-CG 3.29Å; L88-R92 WeakPolarHBondContact O-CG 3.35Å; L88-R92 PolarHBondContact O-N 3.26Å
89N96.9Very high95.2Very high65 Ų6545.1 Ų45.135%0.34826%0.258SS..Hα-helixtrans-63.9-43.1177.5-70.2-15000111.2G85 T86 I87 L91 R92 D93 V96G85-N89 PolarHBondContact O-N 3.22Å; T86-N89 PolarHBondContact O-N 3.28Å; I87-N89 PolarHBondContact O-N 2.96Å; N89-L91 VanDerWaalsContact C-N 3.31Å; N89-L91 PolarHBondContact O-N 3.45Å; N89-R92 WeakPolarHBondContact O-CB 3.44Å; N89-R92 PolarHBondContact O-N 3.32Å; N89-R92 PolarHBondContact OD1-NH1 3.46Å; N89-D93 PolarHBondContact O-N 3.27Å; N89-V96 HydrophobicContact CB-CG2 4.25Å
90Y97.1Very high94.6Very high16 Ų1651.2 Ų51.26%0.06329%0.29CS..Hα-helixtrans-59.9-41173.7-172.1-85.4000112.1T86 I87 R92 G94 V96 V117 G119 L120T86-Y90 PolarHBondContact O-N 2.99Å; I87-Y90 PolarHBondContact O-N 3.05Å; Y90-R92 VanDerWaalsContact C-N 3.28Å; Y90-R92 PolarHBondContact O-N 2.95Å; Y90-G94 WeakPolarHBondContact O-CA 3.35Å; Y90-G94 PolarHBondContact O-N 3Å; Y90-V96 HydrophobicContact CD2-CB 4.36Å; Y90-V96 HydrophobicContact CD2-CG1 3.98Å; Y90-V117 HydrophobicContact CD1-CG1 3.52Å; Y90-V117 HydrophobicContact CE1-CG1 3.66Å; Y90-V117 HydrophobicContact CG-CG1 4.49Å; Y90-G119 WeakPolarHBondContact OH-CA 3.45Å; Y90-L120 HydrophobicContact CD1-CB 4.1Å; Y90-L120 HydrophobicContact CD2-CB 3.94Å; Y90-L120 HydrophobicContact CD2-CD1 3.82Å; Y90-L120 HydrophobicContact CD2-CD2 4.33Å; Y90-L120 HydrophobicContact CD2-CG 4.25Å; Y90-L120 HydrophobicContact CE1-CB 4.08Å; Y90-L120 HydrophobicContact CE2-CB 3.88Å; Y90-L120 HydrophobicContact CE2-CD1 4.15Å; Y90-L120 HydrophobicContact CG-CB 4.04Å; Y90-L120 HydrophobicContact CG-CD1 4.41Å; Y90-L120 HydrophobicContact CG-CD2 4.1Å; Y90-L120 HydrophobicContact CG-CG 4.42Å; Y90-L120 PolarHBondContact OH-N 2.98Å
91L95.3Very high94.4Very high0 Ų050.2 Ų50.20%028%0.284CS..Hα-helixtrans-65.7-30.1175.5-66.3177.8000112.8T49 K52 Q53 T55 L57 I87 L88 N89 V117T49-L91 HydrophobicContact CG2-CB 3.78Å; K52-L91 WeakPolarHBondContact CD-O 3.45Å; Q53-L91 HydrophobicContact CB-CD2 4.13Å; Q53-L91 HydrophobicContact CG-CD2 4.21Å; T55-L91 HydrophobicContact CG2-CD2 4.05Å; L57-L91 HydrophobicContact CD1-CD1 3.84Å; I87-L91 HydrophobicContact CG2-CD1 4.36Å; I87-L91 WeakPolarHBondContact O-CG 3.36Å; I87-L91 PolarHBondContact O-N 3.39Å; L88-L91 PolarHBondContact O-N 2.72Å; N89-L91 VanDerWaalsContact C-N 3.31Å; N89-L91 PolarHBondContact O-N 3.45Å; L91-V117 HydrophobicContact CD2-CG1 4.49Å; L91-V117 HydrophobicContact CD2-CG2 4.49Å
92R94.8Very high94Very high97 Ų9755.3 Ų55.337%0.36630%0.301SS..Hα-helixtrans-74.1-51.6176.7-71.3167.1-176164.1-0.2111.4T49 K52 L88 N89 Y90T49-R92 HydrophobicContact CG2-CG 3.67Å; K52-R92 PolarHBondContact NZ-O 3.32Å; L88-R92 VanDerWaalsContact O-CG 3.29Å; L88-R92 WeakPolarHBondContact O-CG 3.35Å; L88-R92 PolarHBondContact O-N 3.26Å; N89-R92 WeakPolarHBondContact O-CB 3.44Å; N89-R92 PolarHBondContact O-N 3.32Å; N89-R92 PolarHBondContact OD1-NH1 3.46Å; Y90-R92 VanDerWaalsContact C-N 3.28Å; Y90-R92 PolarHBondContact O-N 2.95Å
93D94.7Very high93.8Very high122 Ų12258.3 Ų58.365%0.65231%0.31SS*.Hα-helixtrans-102.1-20.8-164-56.8-33.1000112.7N89 A95N89-D93 PolarHBondContact O-N 3.27Å; D93-A95 VanDerWaalsContact C-N 3.25Å
94G91.8Very high93.7Very high32 Ų3261.1 Ų61.133%0.3332%0.323SS..SBendtrans82.6-1.9-176.300000114.2Y90Y90-G94 WeakPolarHBondContact O-CA 3.35Å; Y90-G94 PolarHBondContact O-N 3Å
95A92.4Very high93.5Very high58 Ų5861.4 Ų61.448%0.47932%0.324SS..  trans-152.8157.2174.800000109.3D93D93-A95 VanDerWaalsContact C-N 3.25Å
96V95.1Very high93.4Very high22 Ų2264.5 Ų64.513%0.13333%0.333CS..  trans-150.5142.3176.2730000109.7T86 N89 Y90 L98 L120T86-V96 HydrophobicContact CG2-CB 4.38Å; T86-V96 HydrophobicContact CG2-CG1 3.81Å; T86-V96 HydrophobicContact CG2-CG2 3.68Å; N89-V96 HydrophobicContact CB-CG2 4.25Å; Y90-V96 HydrophobicContact CD2-CB 4.36Å; Y90-V96 HydrophobicContact CD2-CG1 3.98Å; V96-L98 HydrophobicContact CG1-CD2 4.47Å; V96-L98 PolarHBondContact O-N 3.28Å; V96-L120 HydrophobicContact CG1-CD1 3.75Å
97P92.9Very high93.4Very high116 Ų11665.4 Ų65.475%0.75334%0.335SS*.PPolyproline II helixtrans-61.1127.3169.325.7-34.1000109.7
98L92.9Very high93.4Very high53 Ų5365.4 Ų65.428%0.27734%0.335SS..PPolyproline II helixtrans-76.1150.3177.2-61.5-177.6000110.9V96 L108 L120 E123 A127V96-L98 HydrophobicContact CG1-CD2 4.47Å; V96-L98 PolarHBondContact O-N 3.28Å; L98-L108 HydrophobicContact CD2-CD2 4.14Å; L98-L120 HydrophobicContact CD2-CD1 3.85Å; L98-E123 HydrophobicContact CD1-CB 4.38Å; L98-A127 HydrophobicContact CD1-CB 3.65Å
99P92.3Very high93.4Very high29 Ų2966.1 Ų66.119%0.18834%0.339CS..PPolyproline II helixtrans-58.5145.6173.7-2232.8000112.7E104 T105 L108P99-E104 HydrophobicContact CB-CB 3.58Å; P99-E104 HydrophobicContact CG-CB 4.04Å; P99-T105 PolarHBondContact O-OG1 3.04Å; P99-L108 HydrophobicContact CG-CD2 4.17Å
100E83.7Confident93.5Very high203 Ų20365.2 Ų65.295%0.94934%0.34SS*.SBendtrans-73.5-32.2176.4-63.9-176.7171.300112
101S88.8Confident93.5Very high53 Ų5365.1 Ų65.137%0.37134%0.341SS..SBendtrans-77127.7-179.7175.40000111.2R103 E104 T105S101-R103 VanDerWaalsContact C-N 3.25Å; S101-R103 PolarHBondContact O-N 3.46Å; S101-R103 PolarHBondContact OG-N 3.09Å; S101-E104 PolarHBondContact O-N 3.39Å; S101-E104 VanDerWaalsContact O-N 3.08Å; S101-T105 PolarHBondContact O-N 3.32Å; S101-T105 PolarHBondContact O-OG1 3.4Å
102R87.4Confident93.6Very high112 Ų11265.1 Ų65.142%0.42334%0.341SS..Hα-helixtrans-51.7-45.5174.3-176.3-178175.387.514.6112E104 T105 E106 L128R102-E104 VanDerWaalsContact C-N 3.33Å; R102-E104 PolarHBondContact O-N 2.85Å; R102-T105 PolarHBondContact O-N 3.26Å; R102-E106 IonicContact CZ-OE1 3.91Å; R102-E106 IonicContact NE-OE1 3.72Å; R102-E106 PolarHBondContact NE-OE1 3.46Å; R102-E106 IonicContact NH2-OE1 3.78Å; R102-E106 PolarHBondContact NH2-OE1 3.01Å; R102-E106 WeakPolarHBondContact O-CG 3.21Å; R102-E106 PolarHBondContact O-N 2.96Å; R102-L128 HydrophobicContact CG-CD2 3.72Å; R102-L128 PolarHBondContact NH1-O 3.49Å
103R91.4Very high93.7Very high173 Ų17366.3 Ų66.365%0.65335%0.348SS*.Hα-helixtrans-59.9-44.1179.5177.2-177168.4170.24.9111.4S101 T105 E106 E107S101-R103 VanDerWaalsContact C-N 3.25Å; S101-R103 PolarHBondContact O-N 3.46Å; S101-R103 PolarHBondContact OG-N 3.09Å; R103-T105 VanDerWaalsContact C-N 3.34Å; R103-E106 PolarHBondContact O-N 3.33Å; R103-E107 IonicContact CZ-OE1 2.92Å; R103-E107 IonicContact NE-OE1 2.72Å; R103-E107 PolarHBondContact NE-OE1 3.28Å; R103-E107 IonicContact NH2-OE1 3.88Å; R103-E107 VanDerWaalsContact O-CG 3.3Å; R103-E107 WeakPolarHBondContact O-CG 3.42Å; R103-E107 PolarHBondContact O-N 2.92Å
104E94Very high93.8Very high74 Ų7464.6 Ų64.635%0.34633%0.333SS..Hα-helixtrans-69.9-35.2-179.2-65.1-170.3150.100111.9K82 P99 S101 R102 E107 L108K82-E104 IonicContact NZ-OE1 3.74Å; P99-E104 HydrophobicContact CB-CB 3.58Å; P99-E104 HydrophobicContact CG-CB 4.04Å; S101-E104 PolarHBondContact O-N 3.39Å; S101-E104 VanDerWaalsContact O-N 3.08Å; R102-E104 VanDerWaalsContact C-N 3.33Å; R102-E104 PolarHBondContact O-N 2.85Å; E104-E107 PolarHBondContact O-N 3.08Å; E104-L108 WeakPolarHBondContact O-CB 3.42Å; E104-L108 PolarHBondContact O-N 3.43Å
105T94.5Very high94Very high6 Ų663.1 Ų63.14%0.03732%0.318CS..Hα-helixtrans-67.9-35.9173.3-60.60000112P99 S101 R102 R103 L109 C124 A127 L128P99-T105 PolarHBondContact O-OG1 3.04Å; S101-T105 PolarHBondContact O-N 3.32Å; S101-T105 PolarHBondContact O-OG1 3.4Å; R102-T105 PolarHBondContact O-N 3.26Å; R103-T105 VanDerWaalsContact C-N 3.34Å; T105-L109 VanDerWaalsContact O-CB 3.27Å; T105-L109 WeakPolarHBondContact O-CB 3.45Å; T105-L109 PolarHBondContact O-N 3.07Å; T105-C124 HydrophobicContact CG2-CB 4.14Å; T105-A127 HydrophobicContact CG2-CB 4.32Å; T105-L128 HydrophobicContact CG2-CD1 4.27Å; T105-L128 HydrophobicContact CG2-CD2 3.89Å; T105-L128 HydrophobicContact CG2-CG 3.79Å
106E95.1Very high94.1Very high87 Ų8765.3 Ų65.341%0.40732%0.321SS..Hα-helixtrans-65.3-43171.6-75.3173.3179.900112R102 R103 L109 A110 L128R102-E106 IonicContact CZ-OE1 3.91Å; R102-E106 IonicContact NE-OE1 3.72Å; R102-E106 PolarHBondContact NE-OE1 3.46Å; R102-E106 IonicContact NH2-OE1 3.78Å; R102-E106 PolarHBondContact NH2-OE1 3.01Å; R102-E106 WeakPolarHBondContact O-CG 3.21Å; R102-E106 PolarHBondContact O-N 2.96Å; R103-E106 PolarHBondContact O-N 3.33Å; E106-L109 PolarHBondContact O-N 3.33Å; E106-A110 PolarHBondContact O-N 2.96Å; E106-A110 VanDerWaalsContact O-N 3.1Å; E106-L128 HydrophobicContact CB-CD1 4.46Å; E106-L128 HydrophobicContact CG-CD1 3.62Å; E106-L128 HydrophobicContact CG-CD2 3.72Å; E106-L128 HydrophobicContact CG-CG 4.33Å
107E96.7Very high94.2Very high52 Ų5264.3 Ų64.324%0.24332%0.315CS..Hα-helixtrans-62.4-45.4174.3-70.4169.7-173.800111.5K82 H83 R103 E104 A110 E111K82-E107 IonicContact NZ-OE1 3.63Å; K82-E107 IonicContact NZ-OE2 3.39Å; K82-E107 PolarHBondContact NZ-OE2 3.41Å; H83-E107 IonicContact CD2-OE2 2.69Å; H83-E107 IonicContact CE1-OE2 3.75Å; H83-E107 WeakPolarHBondContact NE2-CB 3.44Å; H83-E107 IonicContact NE2-OE2 2.75Å; H83-E107 PolarHBondContact NE2-OE2 2.88Å; R103-E107 IonicContact CZ-OE1 2.92Å; R103-E107 IonicContact NE-OE1 2.72Å; R103-E107 PolarHBondContact NE-OE1 3.28Å; R103-E107 IonicContact NH2-OE1 3.88Å; R103-E107 VanDerWaalsContact O-CG 3.3Å; R103-E107 WeakPolarHBondContact O-CG 3.42Å; R103-E107 PolarHBondContact O-N 2.92Å; E104-E107 PolarHBondContact O-N 3.08Å; E107-A110 WeakPolarHBondContact O-CB 3.47Å; E107-A110 PolarHBondContact O-N 3.4Å; E107-E111 PolarHBondContact O-N 3.1Å
108L97.4Very high94.3Very high0 Ų064.5 Ų64.50%031%0.306CS..Hα-helixtrans-63.5-41.3176.5179.162.9000111.8H83 T86 I87 L98 P99 E104 A110 E111 A112 L120H83-L108 HydrophobicContact CB-CD1 3.88Å; T86-L108 HydrophobicContact CG2-CD1 3.91Å; T86-L108 HydrophobicContact CG2-CD2 3.93Å; I87-L108 HydrophobicContact CD1-CD1 3.99Å; L98-L108 HydrophobicContact CD2-CD2 4.14Å; P99-L108 HydrophobicContact CG-CD2 4.17Å; E104-L108 WeakPolarHBondContact O-CB 3.42Å; E104-L108 PolarHBondContact O-N 3.43Å; L108-A110 VanDerWaalsContact C-N 3.29Å; L108-A110 PolarHBondContact O-N 3.41Å; L108-E111 PolarHBondContact O-N 2.87Å; L108-A112 WeakPolarHBondContact O-CB 3.44Å; L108-A112 PolarHBondContact O-N 2.85Å; L108-L120 HydrophobicContact CD1-CD2 4.32Å; L108-L120 HydrophobicContact CD2-CD1 4.48Å
109L97.3Very high94.4Very high19 Ų1963.3 Ų63.310%0.09931%0.306CS..Hα-helixtrans-58.9-41.1175.7176.559.6000111.6T105 E106 E111 A112 K113 A121 C124 S125 L128T105-L109 VanDerWaalsContact O-CB 3.27Å; T105-L109 WeakPolarHBondContact O-CB 3.45Å; T105-L109 PolarHBondContact O-N 3.07Å; E106-L109 PolarHBondContact O-N 3.33Å; L109-E111 VanDerWaalsContact C-N 3.34Å; L109-A112 PolarHBondContact O-N 3.25Å; L109-K113 HydrophobicContact CD1-CD 4.26Å; L109-K113 HydrophobicContact CD1-CG 4.19Å; L109-K113 HydrophobicContact CG-CD 4.33Å; L109-K113 WeakPolarHBondContact O-CB 3.27Å; L109-K113 WeakPolarHBondContact O-CG 3.44Å; L109-K113 PolarHBondContact O-N 2.89Å; L109-A121 HydrophobicContact CD1-CB 4.04Å; L109-A121 WeakPolarHBondContact CD1-O 3.37Å; L109-C124 HydrophobicContact CB-CB 3.89Å; L109-C124 HydrophobicContact CD1-CB 3.89Å; L109-C124 HydrophobicContact CG-CB 4.39Å; L109-S125 WeakPolarHBondContact CD1-OG 3.45Å; L109-L128 HydrophobicContact CD2-CD1 3.68Å
110A97.3Very high94.6Very high46 Ų4661.9 Ų61.938%0.3830%0.297SS..Hα-helixtrans-61.7-42.9177.800000111.6E106 E107 L108 Y114E106-A110 PolarHBondContact O-N 2.96Å; E106-A110 VanDerWaalsContact O-N 3.1Å; E107-A110 WeakPolarHBondContact O-CB 3.47Å; E107-A110 PolarHBondContact O-N 3.4Å; L108-A110 VanDerWaalsContact C-N 3.29Å; L108-A110 PolarHBondContact O-N 3.41Å; A110-Y114 PolarHBondContact O-N 3.41Å
111E97.7Very high95.2Very high14 Ų1452.4 Ų52.47%0.06525%0.253CS..Hα-helixtrans-69.6-42.7175.6-61.7-49.9136.700112.3R79 H83 I87 E107 L108 L109 K113 Y114 Y115R79-E111 IonicContact CZ-OE1 3.44Å; R79-E111 IonicContact CZ-OE2 3.65Å; R79-E111 IonicContact NE-OE1 3.47Å; R79-E111 PolarHBondContact NE-OE1 3.29Å; R79-E111 IonicContact NE-OE2 3Å; R79-E111 PolarHBondContact NE-OE2 3.15Å; R79-E111 IonicContact NH2-OE1 3.29Å; R79-E111 PolarHBondContact NH2-OE1 3.18Å; R79-E111 IonicContact NH2-OE2 3.63Å; R79-E111 PolarHBondContact NH2-OE2 3.17Å; H83-E111 HydrophobicContact CB-CG 4.33Å; I87-E111 HydrophobicContact CD1-CB 4.38Å; I87-E111 HydrophobicContact CG1-CB 4.48Å; E107-E111 PolarHBondContact O-N 3.1Å; L108-E111 PolarHBondContact O-N 2.87Å; L109-E111 VanDerWaalsContact C-N 3.34Å; E111-K113 VanDerWaalsContact C-N 3.27Å; E111-K113 PolarHBondContact O-N 2.8Å; E111-Y114 WeakPolarHBondContact O-CB 3.2Å; E111-Y114 PolarHBondContact O-N 2.89Å; E111-Y114 VanDerWaalsContact O-N 3.07Å; E111-Y115 HydrophobicContact CB-CD2 4.31Å; E111-Y115 HydrophobicContact CB-CE2 4.18Å; E111-Y115 WeakPolarHBondContact O-CD2 3.08Å; E111-Y115 PolarHBondContact O-N 2.7Å
112A97.3Very high95.5Very high0 Ų054 Ų540%026%0.258CS..Hα-helixtrans-59.2-39.7177.600000111.7I87 L108 L109 L116 V117 L120 A121I87-A112 HydrophobicContact CD1-CB 4.25Å; L108-A112 WeakPolarHBondContact O-CB 3.44Å; L108-A112 PolarHBondContact O-N 2.85Å; L109-A112 PolarHBondContact O-N 3.25Å; A112-L116 PolarHBondContact O-N 3.04Å; A112-V117 PolarHBondContact O-N 2.95Å; A112-L120 HydrophobicContact CB-CB 4.25Å; A112-L120 HydrophobicContact CB-CD2 4.12Å; A112-L120 HydrophobicContact CB-CG 4Å; A112-A121 HydrophobicContact CB-CB 4.06Å
113K97.1Very high95.9Very high122 Ų12252.2 Ų52.253%0.5325%0.254SS..Hα-helixtrans-66.2-42.4172.2-75.1179.9176.6176.80112.3L109 E111 L116 A121L109-K113 HydrophobicContact CD1-CD 4.26Å; L109-K113 HydrophobicContact CD1-CG 4.19Å; L109-K113 HydrophobicContact CG-CD 4.33Å; L109-K113 WeakPolarHBondContact O-CB 3.27Å; L109-K113 WeakPolarHBondContact O-CG 3.44Å; L109-K113 PolarHBondContact O-N 2.89Å; E111-K113 VanDerWaalsContact C-N 3.27Å; E111-K113 PolarHBondContact O-N 2.8Å; K113-L116 WeakPolarHBondContact O-CD2 3.31Å; K113-L116 PolarHBondContact O-N 3.17Å; K113-A121 HydrophobicContact CG-CB 4.17Å
114Y96.1Very high96.1Very high86 Ų8644 Ų4434%0.33722%0.223SC..Hα-helixtrans-60.9-49.1178.8178.7-92.6000111.9M56 R79 A110 E111 L116M56-Y114 HydrophobicContact CE-CE1 4.17Å; M56-Y114 HydrophobicContact SD-CD1 4.24Å; M56-Y114 HydrophobicContact SD-CE1 3.8Å; R79-Y114 HydrophobicContact CG-CD1 3.71Å; R79-Y114 HydrophobicContact CG-CE1 3.35Å; R79-Y114 HydrophobicContact CG-CE2 4.25Å; R79-Y114 HydrophobicContact CG-CG 4.3Å; A110-Y114 PolarHBondContact O-N 3.41Å; E111-Y114 WeakPolarHBondContact O-CB 3.2Å; E111-Y114 PolarHBondContact O-N 2.89Å; E111-Y114 VanDerWaalsContact O-N 3.07Å; Y114-L116 PolarHBondContact O-N 3.37Å
115Y96.1Very high96Very high0 Ų042 Ų420%022%0.217CC..THydrogen-bonded Turntrans-78.91.6179.3-62.7-66.3000113.9V38 T55 M56 L57 I77 R79 F84 I87 E111 V117V38-Y115 WeakPolarHBondContact CG1-OH 3.41Å; T55-Y115 WeakPolarHBondContact CB-O 3.26Å; M56-Y115 WeakPolarHBondContact CB-O 3.44Å; M56-Y115 PolarHBondContact N-O 3.29Å; L57-Y115 HydrophobicContact CD1-CD1 4.18Å; L57-Y115 HydrophobicContact CD1-CG 4.44Å; L57-Y115 HydrophobicContact CD2-CD1 3.88Å; L57-Y115 HydrophobicContact CD2-CE1 4.08Å; L57-Y115 HydrophobicContact CG-CD1 3.86Å; L57-Y115 HydrophobicContact CG-CG 4.48Å; I77-Y115 HydrophobicContact CD1-CE1 4.33Å; I77-Y115 HydrophobicContact CG2-CE1 4.12Å; R79-Y115 WeakPolarHBondContact CB-OH 3.4Å; F84-Y115 HydrophobicContact CD2-CE1 4.35Å; F84-Y115 AromaticContact CD2-CE2 3.72Å; F84-Y115 HydrophobicContact CD2-CE2 3.72Å; F84-Y115 AromaticContact CD2-CZ 3.61Å; F84-Y115 AromaticContact CE2-CE1 3.88Å; F84-Y115 HydrophobicContact CE2-CE1 3.88Å; F84-Y115 HydrophobicContact CE2-CE2 4.01Å; F84-Y115 AromaticContact CE2-CZ 3.61Å; I87-Y115 HydrophobicContact CG1-CD2 4.21Å; I87-Y115 HydrophobicContact CG2-CD2 4.31Å; E111-Y115 HydrophobicContact CB-CD2 4.31Å; E111-Y115 HydrophobicContact CB-CE2 4.18Å; E111-Y115 WeakPolarHBondContact O-CD2 3.08Å; E111-Y115 PolarHBondContact O-N 2.7Å; Y115-V117 VanDerWaalsContact C-N 3.3Å; Y115-V117 PolarHBondContact O-N 3.39Å
116L95.9Very high95.9Very high104 Ų10444.2 Ų44.255%0.54524%0.237SC..THydrogen-bonded Turntrans56.639.9-177.3-53.1174.8000113.1M56 A112 K113 Y114 Q118M56-L116 HydrophobicContact CB-CB 4.5Å; M56-L116 HydrophobicContact CB-CD1 4.2Å; M56-L116 HydrophobicContact CB-CG 4.24Å; A112-L116 PolarHBondContact O-N 3.04Å; K113-L116 WeakPolarHBondContact O-CD2 3.31Å; K113-L116 PolarHBondContact O-N 3.17Å; Y114-L116 PolarHBondContact O-N 3.37Å; L116-Q118 VanDerWaalsContact C-N 3.34Å; L116-Q118 PolarHBondContact O-N 3.46Å
117V96.9Very high95.6Very high1 Ų141.9 Ų41.91%0.00623%0.232CC..  trans-8877.5174.3-170.20000108.4T55 I87 Y90 L91 A112 Y115 G119 L120 A121T55-V117 HydrophobicContact CG2-CG2 3.96Å; I87-V117 HydrophobicContact CG2-CG2 4.16Å; Y90-V117 HydrophobicContact CD1-CG1 3.52Å; Y90-V117 HydrophobicContact CE1-CG1 3.66Å; Y90-V117 HydrophobicContact CG-CG1 4.49Å; L91-V117 HydrophobicContact CD2-CG1 4.49Å; L91-V117 HydrophobicContact CD2-CG2 4.49Å; A112-V117 PolarHBondContact O-N 2.95Å; Y115-V117 VanDerWaalsContact C-N 3.3Å; Y115-V117 PolarHBondContact O-N 3.39Å; V117-G119 PolarHBondContact O-N 3.21Å; V117-L120 HydrophobicContact CB-CB 4.34Å; V117-L120 HydrophobicContact CG1-CB 3.76Å; V117-L120 PolarHBondContact O-N 3.46Å; V117-A121 PolarHBondContact O-N 3.01Å
118Q94.6Very high95.2Very high120 Ų12040.6 Ų40.656%0.56123%0.227SC*.Hα-helixtrans-56.4-46.3-167.1-168.961.848.100113.4L116 L120 A121 D122L116-Q118 VanDerWaalsContact C-N 3.34Å; L116-Q118 PolarHBondContact O-N 3.46Å; Q118-L120 VanDerWaalsContact C-N 3.34Å; Q118-L120 PolarHBondContact O-N 2.97Å; Q118-A121 WeakPolarHBondContact O-CB 3.33Å; Q118-A121 PolarHBondContact O-N 3.32Å; Q118-A121 VanDerWaalsContact O-N 3.12Å; Q118-D122 PolarHBondContact NE2-OD1 3.19Å; Q118-D122 VanDerWaalsContact O-CG 3.24Å; Q118-D122 PolarHBondContact O-N 3.36Å
119G95.3Very high94.5Very high28 Ų2848.1 Ų48.129%0.28926%0.262SS..Hα-helixtrans-58.8-44-179.700000112.9Y90 V117 D122 E123Y90-G119 WeakPolarHBondContact OH-CA 3.45Å; V117-G119 PolarHBondContact O-N 3.21Å; G119-D122 PolarHBondContact O-N 2.8Å; G119-E123 WeakPolarHBondContact O-CG 3.42Å; G119-E123 PolarHBondContact O-N 3.3Å
120L96.4Very high93.3Very high0 Ų055.2 Ų55.20%029%0.292CS..Hα-helixtrans-68.3-37176.5-177.558.4000112.2I87 Y90 V96 L98 L108 A112 V117 Q118 D122 E123 C124I87-L120 HydrophobicContact CD1-CD2 3.59Å; Y90-L120 HydrophobicContact CD1-CB 4.1Å; Y90-L120 HydrophobicContact CD2-CB 3.94Å; Y90-L120 HydrophobicContact CD2-CD1 3.82Å; Y90-L120 HydrophobicContact CD2-CD2 4.33Å; Y90-L120 HydrophobicContact CD2-CG 4.25Å; Y90-L120 HydrophobicContact CE1-CB 4.08Å; Y90-L120 HydrophobicContact CE2-CB 3.88Å; Y90-L120 HydrophobicContact CE2-CD1 4.15Å; Y90-L120 HydrophobicContact CG-CB 4.04Å; Y90-L120 HydrophobicContact CG-CD1 4.41Å; Y90-L120 HydrophobicContact CG-CD2 4.1Å; Y90-L120 HydrophobicContact CG-CG 4.42Å; Y90-L120 PolarHBondContact OH-N 2.98Å; V96-L120 HydrophobicContact CG1-CD1 3.75Å; L98-L120 HydrophobicContact CD2-CD1 3.85Å; L108-L120 HydrophobicContact CD1-CD2 4.32Å; L108-L120 HydrophobicContact CD2-CD1 4.48Å; A112-L120 HydrophobicContact CB-CB 4.25Å; A112-L120 HydrophobicContact CB-CD2 4.12Å; A112-L120 HydrophobicContact CB-CG 4Å; V117-L120 HydrophobicContact CB-CB 4.34Å; V117-L120 HydrophobicContact CG1-CB 3.76Å; V117-L120 PolarHBondContact O-N 3.46Å; Q118-L120 VanDerWaalsContact C-N 3.34Å; Q118-L120 PolarHBondContact O-N 2.97Å; L120-D122 VanDerWaalsContact C-N 3.32Å; L120-E123 PolarHBondContact O-N 2.75Å; L120-C124 WeakPolarHBondContact O-CB 3.18Å; L120-C124 PolarHBondContact O-N 3.12Å; L120-C124 PolarHBondContact O-SG 2.94Å
121A96.6Very high91.4Very high3 Ų361.7 Ų61.73%0.02531%0.311CS..Hα-helixtrans-64.8-38176.800000111.8L109 A112 K113 V117 Q118 S125L109-A121 HydrophobicContact CD1-CB 4.04Å; L109-A121 WeakPolarHBondContact CD1-O 3.37Å; A112-A121 HydrophobicContact CB-CB 4.06Å; K113-A121 HydrophobicContact CG-CB 4.17Å; V117-A121 PolarHBondContact O-N 3.01Å; Q118-A121 WeakPolarHBondContact O-CB 3.33Å; Q118-A121 PolarHBondContact O-N 3.32Å; Q118-A121 VanDerWaalsContact O-N 3.12Å; A121-S125 WeakPolarHBondContact O-CB 3.48Å; A121-S125 PolarHBondContact O-N 2.89Å; A121-S125 PolarHBondContact O-OG 2.96Å
122D95.6Very high89.7Confident88 Ų8869 Ų6947%0.47135%0.345SS..Hα-helixtrans-69.1-45.4176.5-65.8-21.7000110.9Q118 G119 L120 C124 S125 A126Q118-D122 PolarHBondContact NE2-OD1 3.19Å; Q118-D122 VanDerWaalsContact O-CG 3.24Å; Q118-D122 PolarHBondContact O-N 3.36Å; G119-D122 PolarHBondContact O-N 2.8Å; L120-D122 VanDerWaalsContact C-N 3.32Å; D122-C124 PolarHBondContact O-N 2.7Å; D122-S125 PolarHBondContact O-N 3.4Å; D122-A126 WeakPolarHBondContact O-CB 3.38Å; D122-A126 PolarHBondContact O-N 2.99Å
123E94.9Very high88Confident74 Ų7474.4 Ų74.435%0.34638%0.379SS..Hα-helixtrans-58.2-46.6175-75.4177.5-155.500112.2L98 G119 L120 A126 A127L98-E123 HydrophobicContact CD1-CB 4.38Å; G119-E123 WeakPolarHBondContact O-CG 3.42Å; G119-E123 PolarHBondContact O-N 3.3Å; L120-E123 PolarHBondContact O-N 2.75Å; E123-A126 PolarHBondContact O-N 2.92Å; E123-A127 WeakPolarHBondContact O-CB 3.41Å; E123-A127 PolarHBondContact O-N 3.11Å
124C94.6Very high86.6Confident0 Ų077.8 Ų77.80%039%0.389CS..Hα-helixtrans-64.9-41176.9-680000111.8T105 L109 L120 D122 A127 L128T105-C124 HydrophobicContact CG2-CB 4.14Å; L109-C124 HydrophobicContact CB-CB 3.89Å; L109-C124 HydrophobicContact CD1-CB 3.89Å; L109-C124 HydrophobicContact CG-CB 4.39Å; L120-C124 WeakPolarHBondContact O-CB 3.18Å; L120-C124 PolarHBondContact O-N 3.12Å; L120-C124 PolarHBondContact O-SG 2.94Å; D122-C124 PolarHBondContact O-N 2.7Å; C124-A127 PolarHBondContact O-N 3.04Å; C124-L128 VanDerWaalsContact O-CG 3.31Å; C124-L128 WeakPolarHBondContact O-CG 3.41Å; C124-L128 PolarHBondContact O-N 2.77Å
125S93.3Very high85.2Confident31 Ų3180.3 Ų80.322%0.21740%0.404CS..Hα-helixtrans-64.1-42177.6-61.30000111.5L109 A121 D122 L128 Q129L109-S125 WeakPolarHBondContact CD1-OG 3.45Å; A121-S125 WeakPolarHBondContact O-CB 3.48Å; A121-S125 PolarHBondContact O-N 2.89Å; A121-S125 PolarHBondContact O-OG 2.96Å; D122-S125 PolarHBondContact O-N 3.4Å; S125-L128 PolarHBondContact O-N 3.36Å; S125-Q129 WeakPolarHBondContact O-CG 3.43Å; S125-Q129 PolarHBondContact O-N 3.41Å
126A91.6Very high84.3Confident54 Ų5482.5 Ų82.545%0.44642%0.419SS..Hα-helixtrans-64.1-40.5175.100000111.8D122 E123 L128 Q129 K130D122-A126 WeakPolarHBondContact O-CB 3.38Å; D122-A126 PolarHBondContact O-N 2.99Å; E123-A126 PolarHBondContact O-N 2.92Å; A126-L128 VanDerWaalsContact C-N 3.34Å; A126-L128 PolarHBondContact O-N 3.34Å; A126-Q129 PolarHBondContact O-N 3.26Å; A126-K130 PolarHBondContact O-N 3.35Å
127A89.3Confident83.4Confident37 Ų3785.2 Ų85.231%0.30643%0.433SS..Hα-helixtrans-62.7-38.9175.100000112.4L98 T105 E123 C124 K130L98-A127 HydrophobicContact CD1-CB 3.65Å; T105-A127 HydrophobicContact CG2-CB 4.32Å; E123-A127 WeakPolarHBondContact O-CB 3.41Å; E123-A127 PolarHBondContact O-N 3.11Å; C124-A127 PolarHBondContact O-N 3.04Å; A127-K130 WeakPolarHBondContact O-CB 3.43Å; A127-K130 PolarHBondContact O-N 3Å
128L88.1Confident83Confident26 Ų2686.7 Ų86.714%0.13644%0.443CS..Hα-helixtrans-76.4-23.6178.1-68171.9000114.2R102 T105 E106 L109 C124 S125 A126 K130R102-L128 HydrophobicContact CG-CD2 3.72Å; R102-L128 PolarHBondContact NH1-O 3.49Å; T105-L128 HydrophobicContact CG2-CD1 4.27Å; T105-L128 HydrophobicContact CG2-CD2 3.89Å; T105-L128 HydrophobicContact CG2-CG 3.79Å; E106-L128 HydrophobicContact CB-CD1 4.46Å; E106-L128 HydrophobicContact CG-CD1 3.62Å; E106-L128 HydrophobicContact CG-CD2 3.72Å; E106-L128 HydrophobicContact CG-CG 4.33Å; L109-L128 HydrophobicContact CD2-CD1 3.68Å; C124-L128 VanDerWaalsContact O-CG 3.31Å; C124-L128 WeakPolarHBondContact O-CG 3.41Å; C124-L128 PolarHBondContact O-N 2.77Å; S125-L128 PolarHBondContact O-N 3.36Å; A126-L128 VanDerWaalsContact C-N 3.34Å; A126-L128 PolarHBondContact O-N 3.34Å; L128-K130 VanDerWaalsContact C-N 3.34Å
129Q83Confident82.8Confident158 Ų15886.9 Ų86.974%0.73844%0.442SS*.Hα-helixtrans-77.3-18.4172.9-77.6-178.317.800113.1S125 A126 K131S125-Q129 WeakPolarHBondContact O-CG 3.43Å; S125-Q129 PolarHBondContact O-N 3.41Å; A126-Q129 PolarHBondContact O-N 3.26Å; Q129-K131 VanDerWaalsContact C-N 3.29Å; Q129-K131 PolarHBondContact O-N 3.48Å
130K71.6Confident82.8Confident167 Ų16787.8 Ų87.873%0.72644%0.442SS*.SBendtrans-60.2101.4163.9-72.3-179.5177.1175.90106.4A126 A127 L128 E132A126-K130 PolarHBondContact O-N 3.35Å; A127-K130 WeakPolarHBondContact O-CB 3.43Å; A127-K130 PolarHBondContact O-N 3Å; L128-K130 VanDerWaalsContact C-N 3.34Å; K130-E132 PolarHBondContact O-N 3.32Å
131K58.2Low82.8Confident183 Ų18389.8 Ų89.880%0.79645%0.454SS*.  trans-42.5136171.3-85.9-179.7171.4178.30107.4Q129 T133Q129-K131 VanDerWaalsContact C-N 3.29Å; Q129-K131 PolarHBondContact O-N 3.48Å; K131-T133 PolarHBondContact O-N 2.88Å; K131-T133 PolarHBondContact O-OG1 3.24Å
132E60.6Low82.6Confident167 Ų16793.8 Ų93.878%0.7848%0.475SS*.  trans-46.197.1163-77.4-177.916600106.8K130 Y134K130-E132 PolarHBondContact O-N 3.32Å; E132-Y134 PolarHBondContact O-N 2.81Å
133T61.7Low82.5Confident114 Ų11489.6 Ų89.670%0.69945%0.452SS*.  trans-78.9105.7-178.7-58.60000101.4K131 E135K131-T133 PolarHBondContact O-N 2.88Å; K131-T133 PolarHBondContact O-OG1 3.24Å; T133-E135 PolarHBondContact O-N 3.22Å
134Y67.8Low82Confident192 Ų19290.8 Ų90.875%0.75347%0.465SS*.  trans-46.8109.2174.7168-100.7000107.9E132 P136E132-Y134 PolarHBondContact O-N 2.81Å; Y134-P136 HydrophobicContact CE1-CB 3.8Å; Y134-P136 HydrophobicContact CE1-CG 4.41Å; Y134-P136 WeakPolarHBondContact O-CD 3.34Å
135E68.1Low81.8Confident140 Ų14093 Ų9365%0.65448%0.48SS*.  trans-92.5105.5176-77.1-129.6109.400107.1T133 L137 K139T133-E135 PolarHBondContact O-N 3.22Å; E135-L137 PolarHBondContact O-N 2.94Å; E135-K139 IonicContact OE1-NZ 3.34Å; E135-K139 PolarHBondContact OE1-NZ 3.43Å
136P75.6Confident81.6Confident46 Ų4694.9 Ų94.930%0.29949%0.493SS..  trans-62.6133.6178.323.7-32.5000110Y134 C138 K139Y134-P136 HydrophobicContact CE1-CB 3.8Å; Y134-P136 HydrophobicContact CE1-CG 4.41Å; Y134-P136 WeakPolarHBondContact O-CD 3.34Å; P136-C138 PolarHBondContact O-N 2.94Å; P136-K139 HydrophobicContact CB-CG 4.5Å; P136-K139 HydrophobicContact CG-CD 4.31Å; P136-K139 HydrophobicContact CG-CG 3.73Å
137L77.9Confident81.5Confident161 Ų161100.6 Ų100.684%0.84351%0.507SS*.SBendtrans-59.2-35.7179.2-69.4169000112.6E135 N197E135-L137 PolarHBondContact O-N 2.94Å; L137-N197 PolarHBondContact O-ND2 2.85Å; L137-N197 PolarHBondContact O-OD1 3.5Å
138C88.3Confident81.5Confident31 Ų31102.5 Ų102.521%0.20951%0.51CS..SBendtrans-124.6122.2177.7-173.50000109.2P136 L194P136-C138 PolarHBondContact O-N 2.94Å; C138-L194 HydrophobicContact CB-CD2 3.96Å
139K91.3Very high81.6Confident125 Ų125102.3 Ų102.354%0.54351%0.509SS..  trans-110.2113.2177.4-68.9173.4-174.5172.70107.7E135 P136E135-K139 IonicContact OE1-NZ 3.34Å; E135-K139 PolarHBondContact OE1-NZ 3.43Å; P136-K139 HydrophobicContact CB-CG 4.5Å; P136-K139 HydrophobicContact CG-CD 4.31Å; P136-K139 HydrophobicContact CG-CG 3.73Å
140V95.3Very high82Confident47 Ų47100.7 Ų100.729%0.28550%0.501SS..  trans-107.3108.8175175.90000108.2F189 F202 K204V140-F189 HydrophobicContact CG1-CE1 3.69Å; V140-F189 HydrophobicContact CG1-CZ 4.02Å; V140-F189 HydrophobicContact CG2-CE1 4.48Å; V140-F202 HydrophobicContact CG2-CB 4.31Å; V140-K204 HydrophobicContact CG1-CB 4.49Å; V140-K204 HydrophobicContact CG1-CD 4.29Å; V140-K204 HydrophobicContact CG1-CG 3.93Å
141P94.8Very high83Confident41 Ų41101.9 Ų101.927%0.26650%0.501SS..PPolyproline II helixtrans-63138.8174.7-24.237000111.8L152 F202 K204P141-L152 HydrophobicContact CB-CD2 4.01Å; P141-L152 HydrophobicContact CG-CD2 3.99Å; P141-F202 WeakPolarHBondContact CD-O 3.33Å; P141-K204 PolarHBondContact O-N 2.91Å
142L94.1Very high84.6Confident87 Ų8795.4 Ų95.446%0.45548%0.475SS..EExtended strand (participates in β ladder)trans-101.9117.1170.2-175.671.2000108.3K204 V206L142-K204 CarbonylContact C-O 3.49Å; L142-K204 WeakPolarHBondContact CA-O 3.3Å; L142-K204 HydrophobicContact CD1-CB 3.73Å; L142-V206 HydrophobicContact CD1-CB 4.41Å; L142-V206 HydrophobicContact CD1-CG1 3.64Å; L142-V206 HydrophobicContact CD1-CG2 3.91Å; L142-V206 HydrophobicContact CD2-CG2 4.39Å; L142-V206 HydrophobicContact CG-CG2 4.14Å
143M92.3Very high86.1Confident0 Ų087.9 Ų87.90%044%0.44CS..EExtended strand (participates in β ladder)trans-76.2130.6-177-55-48.2-47.600111.4E148 E149 L152 I203 K204 D205M143-E148 HydrophobicContact CE-CB 3.47Å; M143-E148 VanDerWaalsContact CE-CB 3.47Å; M143-E148 HydrophobicContact CE-CG 3.38Å; M143-E149 HydrophobicContact CE-CB 3.81Å; M143-E149 HydrophobicContact CG-CB 4.44Å; M143-L152 HydrophobicContact SD-CD2 4.08Å; M143-I203 HydrophobicContact CG-CG2 3.16Å; M143-I203 HydrophobicContact SD-CG2 3.36Å; M143-I203 WeakPolarHBondContact SD-CG2 3.44Å; M143-K204 PolarHBondContact N-O 2.83Å; M143-D205 HydrophobicContact CB-CB 4.43Å; M143-D205 HydrophobicContact CG-CB 4.49Å
144T85.6Confident87.4Confident99 Ų9986 Ų8661%0.60744%0.435SS*.  trans-116.3-8.8176.963.40000113E148T144-E148 PolarHBondContact N-OE2 2.94Å; T144-E148 PolarHBondContact OG1-OE2 2.86Å; T144-E148 VanDerWaalsContact OG1-OE2 3.06Å
145S89.3Confident88.5Confident47 Ų4781.7 Ų81.733%0.32943%0.429SS..  trans-150.8150.8171.774.60000112.6K147 E148 E149 I207S145-K147 PolarHBondContact O-N 3.09Å; S145-E148 WeakPolarHBondContact O-CB 3.41Å; S145-E148 PolarHBondContact O-N 3.44Å; S145-E148 WeakPolarHBondContact OG-CB 3.36Å; S145-E148 PolarHBondContact OG-N 3.44Å; S145-E149 PolarHBondContact O-N 3.01Å; S145-I207 VanDerWaalsContact CA-CD1 3.42Å
146C88.4Confident89.5Confident70 Ų7076.2 Ų76.247%0.47341%0.407SS..Hα-helixtrans-61.9-31.7175.4-179.40000112.6E149 Q150C146-E149 WeakPolarHBondContact O-CB 3.46Å; C146-E149 PolarHBondContact O-N 3.09Å; C146-Q150 WeakPolarHBondContact O-CG 3.5Å; C146-Q150 PolarHBondContact O-N 3.39Å
147K89.8Confident90.1Very high174 Ų17479.6 Ų79.676%0.75742%0.422SS*.Hα-helixtrans-66.1-41.6176.6-69.8-175.1179.1-179.90112.2S145 E149 R151S145-K147 PolarHBondContact O-N 3.09Å; K147-E149 VanDerWaalsContact C-N 3.29Å; K147-R151 WeakPolarHBondContact O-CB 3.33Å; K147-R151 PolarHBondContact O-N 3.23Å
148E90.6Very high90.7Very high78 Ų7875.8 Ų75.836%0.36440%0.399SS..Hα-helixtrans-61.8-41.5175.7-168.9-171.1-175.400110.3M143 T144 S145 R151 L152M143-E148 HydrophobicContact CE-CB 3.47Å; M143-E148 VanDerWaalsContact CE-CB 3.47Å; M143-E148 HydrophobicContact CE-CG 3.38Å; T144-E148 PolarHBondContact N-OE2 2.94Å; T144-E148 PolarHBondContact OG1-OE2 2.86Å; T144-E148 VanDerWaalsContact OG1-OE2 3.06Å; S145-E148 WeakPolarHBondContact O-CB 3.41Å; S145-E148 PolarHBondContact O-N 3.44Å; S145-E148 WeakPolarHBondContact OG-CB 3.36Å; S145-E148 PolarHBondContact OG-N 3.44Å; E148-R151 PolarHBondContact O-N 3.21Å; E148-L152 VanDerWaalsContact O-CB 3.27Å; E148-L152 WeakPolarHBondContact O-CB 3.04Å; E148-L152 PolarHBondContact O-N 3.11Å
149E90.3Very high91Very high22 Ų2274.4 Ų74.410%0.10339%0.389CS..Hα-helixtrans-62-54.4179.2-179.8-166.5157.400110.7M143 S145 C146 K147 R151 L152 I153 K162 Y217M143-E149 HydrophobicContact CE-CB 3.81Å; M143-E149 HydrophobicContact CG-CB 4.44Å; S145-E149 PolarHBondContact O-N 3.01Å; C146-E149 WeakPolarHBondContact O-CB 3.46Å; C146-E149 PolarHBondContact O-N 3.09Å; K147-E149 VanDerWaalsContact C-N 3.29Å; E149-R151 VanDerWaalsContact C-N 3.27Å; E149-R151 PolarHBondContact O-N 3.13Å; E149-L152 PolarHBondContact O-N 3.23Å; E149-L152 VanDerWaalsContact O-N 3.17Å; E149-I153 HydrophobicContact CG-CD1 3.67Å; E149-I153 HydrophobicContact CG-CG1 4.43Å; E149-I153 WeakPolarHBondContact O-CG1 3.3Å; E149-I153 PolarHBondContact O-N 3.37Å; E149-K162 HydrophobicContact CG-CD 4.28Å; E149-K162 WeakPolarHBondContact OE1-CE 3.29Å; E149-K162 IonicContact OE1-NZ 2.89Å; E149-K162 PolarHBondContact OE1-NZ 3.01Å; E149-K162 IonicContact OE2-NZ 2.65Å; E149-K162 PolarHBondContact OE2-NZ 3.45Å; E149-Y217 PolarHBondContact OE1-OH 3.37Å
150Q90.5Very high91.3Very high124 Ų12468.5 Ų68.558%0.57936%0.364SS*.Hα-helixtrans-58-43.4-178.8-72.2175.5-3.700111.3C146 A154C146-Q150 WeakPolarHBondContact O-CG 3.5Å; C146-Q150 PolarHBondContact O-N 3.39Å; Q150-A154 WeakPolarHBondContact O-CB 3.43Å; Q150-A154 PolarHBondContact O-N 2.82Å
151R92.5Very high91.4Very high191 Ų19166.3 Ų66.372%0.72135%0.351SS*.Hα-helixtrans-61.6-49.7176.9-173.8-179.8-177.4-177.71.3110.9K147 E148 E149 I153 A154 T155K147-R151 WeakPolarHBondContact O-CB 3.33Å; K147-R151 PolarHBondContact O-N 3.23Å; E148-R151 PolarHBondContact O-N 3.21Å; E149-R151 VanDerWaalsContact C-N 3.27Å; E149-R151 PolarHBondContact O-N 3.13Å; R151-I153 PolarHBondContact O-N 3.26Å; R151-A154 PolarHBondContact O-N 3.08Å; R151-T155 HydrophobicContact CG-CG2 4.43Å; R151-T155 WeakPolarHBondContact O-CG2 3.33Å; R151-T155 PolarHBondContact O-N 3.09Å; R151-T155 PolarHBondContact O-OG1 3.16Å
152L92.4Very high91.5Very high48 Ų4865 Ų6525%0.25134%0.341SS..Hα-helixtrans-62.1-44.3-176.4-172.465.1000111.5P141 M143 E148 E149 T155 S156 L201 I203P141-L152 HydrophobicContact CB-CD2 4.01Å; P141-L152 HydrophobicContact CG-CD2 3.99Å; M143-L152 HydrophobicContact SD-CD2 4.08Å; E148-L152 VanDerWaalsContact O-CB 3.27Å; E148-L152 WeakPolarHBondContact O-CB 3.04Å; E148-L152 PolarHBondContact O-N 3.11Å; E149-L152 PolarHBondContact O-N 3.23Å; E149-L152 VanDerWaalsContact O-N 3.17Å; L152-T155 PolarHBondContact O-OG1 2.78Å; L152-S156 WeakPolarHBondContact O-CB 3.35Å; L152-S156 PolarHBondContact O-N 2.9Å; L152-S156 VanDerWaalsContact O-N 3.12Å; L152-L201 HydrophobicContact CD1-CD2 4.41Å; L152-L201 HydrophobicContact CD2-CD2 4.34Å; L152-L201 HydrophobicContact CG-CD2 3.98Å; L152-I203 HydrophobicContact CD2-CD1 3.62Å; L152-I203 HydrophobicContact CD2-CG1 3.97Å; L152-I203 HydrophobicContact CG-CD1 4.24Å
153I91.8Very high91.7Very high8 Ų860.9 Ų60.94%0.04132%0.319CS..Hα-helixtrans-65.9-43.3177.1-65.9174.2000111.3E149 R151 S156 T160 I203 Y217E149-I153 HydrophobicContact CG-CD1 3.67Å; E149-I153 HydrophobicContact CG-CG1 4.43Å; E149-I153 WeakPolarHBondContact O-CG1 3.3Å; E149-I153 PolarHBondContact O-N 3.37Å; R151-I153 PolarHBondContact O-N 3.26Å; I153-S156 PolarHBondContact O-N 3.19Å; I153-T160 HydrophobicContact CG1-CG2 4.31Å; I153-I203 HydrophobicContact CG1-CD1 4.17Å; I153-Y217 HydrophobicContact CD1-CD1 3.96Å; I153-Y217 HydrophobicContact CD1-CD2 4.18Å; I153-Y217 HydrophobicContact CD1-CE1 3.64Å; I153-Y217 HydrophobicContact CD1-CE2 3.91Å; I153-Y217 HydrophobicContact CD1-CG 4.23Å; I153-Y217 HydrophobicContact CG2-CD1 3.75Å; I153-Y217 HydrophobicContact CG2-CE1 4.35Å; I153-Y217 HydrophobicContact CG2-CG 4.1Å
154A89.8Confident91.9Very high74 Ų7461.5 Ų61.561%0.61232%0.322SS*.Hα-helixtrans-69.8-32.5-177.900000113.3Q150 R151Q150-A154 WeakPolarHBondContact O-CB 3.43Å; Q150-A154 PolarHBondContact O-N 2.82Å; R151-A154 PolarHBondContact O-N 3.08Å
155T89.6Confident92.3Very high102 Ų10259.5 Ų59.563%0.62630%0.304SS*.Hα-helixtrans-89-12.4179.5590000113.9R151 L152R151-T155 HydrophobicContact CG-CG2 4.43Å; R151-T155 WeakPolarHBondContact O-CG2 3.33Å; R151-T155 PolarHBondContact O-N 3.09Å; R151-T155 PolarHBondContact O-OG1 3.16Å; L152-T155 PolarHBondContact O-OG1 2.78Å
156S88.9Confident92.4Very high25 Ų2558.3 Ų58.318%0.17529%0.294CS..  trans-73.1129-179.8-178.90000110.9L152 I153 K158L152-S156 WeakPolarHBondContact O-CB 3.35Å; L152-S156 PolarHBondContact O-N 2.9Å; L152-S156 VanDerWaalsContact O-N 3.12Å; I153-S156 PolarHBondContact O-N 3.19Å; S156-K158 VanDerWaalsContact C-N 3.3Å; S156-K158 PolarHBondContact OG-N 3.48Å; S156-K158 VanDerWaalsContact OG-N 3.08Å; S156-K158 PolarHBondContact OG-O 3.19Å
157N87.9Confident92.5Very high117 Ų11761.2 Ų61.263%0.62630%0.295SS*.SBendtrans-83.6-8.5167.262.8-19.9000112.9S261N157-S261 PolarHBondContact O-OG 3.32Å
158K92Very high92.5Very high81 Ų8157.5 Ų57.535%0.35229%0.291SS..SBendtrans-94.1146.6178.3-59.4-178.7-169.8-172.80110.4S156 T160 G198 R199 L201S156-K158 VanDerWaalsContact C-N 3.3Å; S156-K158 PolarHBondContact OG-N 3.48Å; S156-K158 VanDerWaalsContact OG-N 3.08Å; S156-K158 PolarHBondContact OG-O 3.19Å; K158-T160 PolarHBondContact O-OG1 3.41Å; K158-G198 VanDerWaalsContact CE-O 3.24Å; K158-G198 WeakPolarHBondContact CE-O 3.48Å; K158-G198 PolarHBondContact NZ-O 2.97Å; K158-R199 WeakPolarHBondContact CB-O 3.42Å; K158-L201 HydrophobicContact CB-CB 4.31Å
159P95Very high92.5Very high2 Ų254.6 Ų54.61%0.01328%0.278CS..  trans-58.2150.2163.128-35.1000109.9V200 L201 Y217 I256 E260P159-V200 HydrophobicContact CG-CG2 4.12Å; P159-V200 WeakPolarHBondContact O-CA 3.23Å; P159-V200 WeakPolarHBondContact O-CG1 3.32Å; P159-L201 PolarHBondContact O-N 3.47Å; P159-Y217 WeakPolarHBondContact CA-O 3.42Å; P159-I256 HydrophobicContact CB-CB 4.1Å; P159-I256 HydrophobicContact CB-CD1 4.17Å; P159-I256 WeakPolarHBondContact CB-O 3.2Å; P159-E260 HydrophobicContact CG-CG 3.83Å
160T96.4Very high92.4Very high2 Ų261.5 Ų61.51%0.01232%0.315CS..EExtended strand (participates in β ladder)trans-125.8133.6-170.4-55.60000111.4I153 K158 L201 I203 Y217I153-T160 HydrophobicContact CG1-CG2 4.31Å; K158-T160 PolarHBondContact O-OG1 3.41Å; T160-L201 CarbonylContact C-O 3.48Å; T160-L201 VanDerWaalsContact CA-O 3.23Å; T160-L201 WeakPolarHBondContact CA-O 3.4Å; T160-L201 HydrophobicContact CG2-CB 4.27Å; T160-L201 HydrophobicContact CG2-CD2 4.21Å; T160-L201 HydrophobicContact CG2-CG 4.14Å; T160-L201 WeakPolarHBondContact CG2-O 3.27Å; T160-I203 HydrophobicContact CG2-CD1 3.43Å; T160-I203 VanDerWaalsContact CG2-CD1 3.43Å; T160-I203 HydrophobicContact CG2-CG1 4Å; T160-Y217 HydrophobicContact CG2-CD2 4.46Å; T160-Y217 PolarHBondContact N-O 2.88Å; T160-Y217 PolarHBondContact O-N 3.04Å
161V97.7Very high92.3Very high0 Ų061.6 Ų61.60%031%0.314CS..EExtended strand (participates in β ladder)trans-110.7125.2167.7-179.10000108.5F189 V200 L201 F202 I203 W214 F216 T253 I256V161-F189 HydrophobicContact CG1-CE2 4.35Å; V161-V200 HydrophobicContact CB-CG1 4.39Å; V161-V200 HydrophobicContact CG2-CG1 3.77Å; V161-L201 PolarHBondContact N-O 3.15Å; V161-F202 HydrophobicContact CB-CD1 3.79Å; V161-F202 HydrophobicContact CB-CE1 3.75Å; V161-F202 HydrophobicContact CB-CZ 4.47Å; V161-F202 HydrophobicContact CG1-CD1 4.12Å; V161-F202 HydrophobicContact CG1-CE1 4.01Å; V161-F202 HydrophobicContact CG2-CD1 4.46Å; V161-F202 HydrophobicContact CG2-CE1 3.97Å; V161-F202 HydrophobicContact CG2-CZ 4.28Å; V161-F202 CarbonylContact O-C 3.56Å; V161-F202 WeakPolarHBondContact O-CA 3.47Å; V161-I203 PolarHBondContact O-N 2.92Å; V161-W214 HydrophobicContact CG1-CE3 3.63Å; V161-W214 HydrophobicContact CG1-CZ3 3.83Å; V161-F216 HydrophobicContact CG1-CE1 4.2Å; V161-F216 HydrophobicContact CG2-CD1 4.08Å; V161-F216 HydrophobicContact CG2-CE1 4.22Å; V161-T253 HydrophobicContact CG2-CG2 4.49Å; V161-I256 HydrophobicContact CG2-CD1 3.26Å; V161-I256 HydrophobicContact CG2-CG1 4.44Å
162K96.9Very high92.2Very high15 Ų1553 Ų537%0.06528%0.282CS..EExtended strand (participates in β ladder)trans-113.8127.6174-174.7178.881.3151.90109.6E149 I203 D205 W214 S215 Y217E149-K162 HydrophobicContact CG-CD 4.28Å; E149-K162 WeakPolarHBondContact OE1-CE 3.29Å; E149-K162 IonicContact OE1-NZ 2.89Å; E149-K162 PolarHBondContact OE1-NZ 3.01Å; E149-K162 IonicContact OE2-NZ 2.65Å; E149-K162 PolarHBondContact OE2-NZ 3.45Å; K162-I203 CarbonylContact C-O 3.55Å; K162-I203 WeakPolarHBondContact CA-O 3.27Å; K162-I203 HydrophobicContact CB-CB 4.38Å; K162-I203 HydrophobicContact CG-CB 4.26Å; K162-I203 HydrophobicContact CG-CG2 4.16Å; K162-D205 HydrophobicContact CD-CB 3.96Å; K162-D205 HydrophobicContact CG-CB 4.09Å; K162-D205 IonicContact NZ-OD2 2.96Å; K162-D205 PolarHBondContact NZ-OD2 2.92Å; K162-W214 CarbonylContact O-C 3.57Å; K162-W214 WeakPolarHBondContact O-CA 3.4Å; K162-S215 PolarHBondContact N-O 3.3Å; K162-S215 PolarHBondContact O-N 3.49Å; K162-Y217 HydrophobicContact CB-CE2 4.07Å
163L97.8Very high92.1Very high0 Ų050.7 Ų50.70%027%0.27CS..EExtended strand (participates in β ladder)trans-104.2117.4165.2172.962.9000108.9Y165 I186 F189 I203 K204 D205 W214L163-Y165 HydrophobicContact CD2-CD1 4.14Å; L163-Y165 HydrophobicContact CG-CD1 4.05Å; L163-I186 HydrophobicContact CD2-CG1 4.37Å; L163-F189 HydrophobicContact CB-CB 4.45Å; L163-F189 HydrophobicContact CB-CD2 3.28Å; L163-F189 HydrophobicContact CB-CE2 3.56Å; L163-F189 HydrophobicContact CB-CG 3.94Å; L163-F189 HydrophobicContact CB-CZ 4.44Å; L163-F189 HydrophobicContact CD2-CB 3.63Å; L163-F189 HydrophobicContact CD2-CD2 4.08Å; L163-F189 HydrophobicContact CD2-CG 3.87Å; L163-F189 HydrophobicContact CG-CD2 4.3Å; L163-I203 PolarHBondContact N-O 3.48Å; L163-K204 WeakPolarHBondContact O-CA 3.44Å; L163-D205 PolarHBondContact O-N 3Å; L163-W214 HydrophobicContact CD1-CD2 4.13Å; L163-W214 HydrophobicContact CD1-CG 4.18Å; L163-W214 HydrophobicContact CD1-CZ2 4.36Å; L163-W214 HydrophobicContact CD2-CZ2 4.49Å
164L95.8Very high91.9Very high12 Ų1257 Ų576%0.06329%0.294CS..EExtended strand (participates in β ladder)trans-93.1127.7166.5-177164.2000108.5D205 E210 C212 C213L164-D205 VanDerWaalsContact CA-O 3.28Å; L164-D205 WeakPolarHBondContact CA-O 3.47Å; L164-D205 HydrophobicContact CB-CB 4.17Å; L164-D205 HydrophobicContact CG-CB 4.4Å; L164-E210 HydrophobicContact CD1-CB 4.15Å; L164-E210 HydrophobicContact CD2-CB 3.77Å; L164-E210 WeakPolarHBondContact CD2-O 3.49Å; L164-C212 CarbonylContact O-C 3.53Å; L164-C212 VanDerWaalsContact O-CA 3.26Å; L164-C212 WeakPolarHBondContact O-CA 3.24Å; L164-C213 HydrophobicContact CB-CB 4.43Å; L164-C213 PolarHBondContact N-O 3.41Å; L164-C213 PolarHBondContact O-N 2.95Å
165Y94.4Very high92Very high57 Ų5755.9 Ų55.922%0.22428%0.28CS..EExtended strand (participates in β ladder)trans-143128.9170.966.5-79.8000111.5L163 I186 K204 D205 V206 I211L163-Y165 HydrophobicContact CD2-CD1 4.14Å; L163-Y165 HydrophobicContact CG-CD1 4.05Å; Y165-I186 HydrophobicContact CD2-CD1 3.98Å; Y165-I186 HydrophobicContact CD2-CG1 4.43Å; Y165-I186 HydrophobicContact CE2-CD1 4.11Å; Y165-I186 HydrophobicContact CG-CD1 4.43Å; Y165-I186 HydrophobicContact CG-CG1 4.41Å; Y165-K204 HydrophobicContact CE1-CB 4.2Å; Y165-K204 HydrophobicContact CE1-CD 4.08Å; Y165-K204 HydrophobicContact CE1-CG 4.17Å; Y165-D205 PolarHBondContact N-O 3.42Å; Y165-V206 HydrophobicContact CE1-CG1 4.03Å; Y165-V206 HydrophobicContact CE2-CG1 4.19Å; Y165-I211 CarbonylContact C-O 3.52Å; Y165-I211 VanDerWaalsContact CA-O 3.3Å; Y165-I211 WeakPolarHBondContact CA-O 3.43Å
166N92.3Very high92.1Very high22 Ų2255.5 Ų55.512%0.11828%0.281CS..  trans-14086.1-176.1-173.9-11.3000110.3S168 N169 G208 E210 I211N166-S168 PolarHBondContact O-N 3.28Å; N166-S168 PolarHBondContact OD1-N 3.33Å; N166-S168 PolarHBondContact OD1-OG 3.09Å; N166-N169 WeakPolarHBondContact O-CB 3.33Å; N166-N169 PolarHBondContact O-N 2.92Å; N166-N169 PolarHBondContact OD1-N 3.4Å; N166-G208 PolarHBondContact ND2-O 3.26Å; N166-E210 WeakPolarHBondContact CB-O 3.46Å; N166-I211 PolarHBondContact N-O 3.03Å
167R90.6Very high92.3Very high132 Ų13258.4 Ų58.450%0.49830%0.295SS..THydrogen-bonded Turntrans-68.5-19.9177.8-172176-178.8-1332.2113.1N169 Y172 Y174 D179R167-N169 VanDerWaalsContact C-N 3.27Å; R167-N169 PolarHBondContact O-N 2.81Å; R167-Y172 HydrophobicContact CG-CD1 4.42Å; R167-Y172 HydrophobicContact CG-CE1 4.08Å; R167-Y174 HydrophobicContact CG-CE1 4.23Å; R167-Y174 PolarHBondContact O-OH 3Å; R167-D179 IonicContact CZ-OD1 3.61Å; R167-D179 IonicContact CZ-OD2 3.75Å; R167-D179 IonicContact NE-OD1 2.99Å; R167-D179 PolarHBondContact NE-OD1 3.31Å; R167-D179 IonicContact NE-OD2 3.88Å; R167-D179 IonicContact NH2-OD1 3.42Å; R167-D179 PolarHBondContact NH2-OD1 3.49Å; R167-D179 IonicContact NH2-OD2 2.84Å; R167-D179 PolarHBondContact NH2-OD2 2.93Å
168S90.2Very high92.6Very high96 Ų9652.8 Ų52.867%0.67127%0.265SS*.THydrogen-bonded Turntrans-80.9-3.1177.648.40000114.1N166 N170N166-S168 PolarHBondContact O-N 3.28Å; N166-S168 PolarHBondContact OD1-N 3.33Å; N166-S168 PolarHBondContact OD1-OG 3.09Å; S168-N170 PolarHBondContact O-N 2.78Å
169N89.8Confident92.7Very high17 Ų1750.8 Ų50.89%0.09126%0.258CS..  trans-63.3130.2179.4-168.2-60.5000110.8N166 R167 K171 Y172 D209 I211N166-N169 WeakPolarHBondContact O-CB 3.33Å; N166-N169 PolarHBondContact O-N 2.92Å; N166-N169 PolarHBondContact OD1-N 3.4Å; R167-N169 VanDerWaalsContact C-N 3.27Å; R167-N169 PolarHBondContact O-N 2.81Å; N169-K171 PolarHBondContact O-N 3.32Å; N169-K171 WeakPolarHBondContact OD1-CB 3.41Å; N169-K171 PolarHBondContact OD1-N 2.65Å; N169-Y172 WeakPolarHBondContact O-CB 3.4Å; N169-Y172 PolarHBondContact O-N 3.36Å; N169-D209 PolarHBondContact ND2-O 3.23Å; N169-I211 HydrophobicContact CB-CD1 4.43Å; N169-I211 HydrophobicContact CB-CG1 3.67Å
170N88.1Confident92.8Very high166 Ų16654.8 Ų54.889%0.88828%0.279SS*.THydrogen-bonded Turntrans-61.6-17.8-177.2-69.5-30.3000114.3S168 Y172S168-N170 PolarHBondContact O-N 2.78Å; N170-Y172 VanDerWaalsContact C-N 3.35Å
171K88.8Confident92.8Very high127 Ų12755.3 Ų55.355%0.55228%0.282SS*.THydrogen-bonded Turntrans-87.8-5176.6-61.1172.1-174.8162.20112.8N169 I211 T240N169-K171 PolarHBondContact O-N 3.32Å; N169-K171 WeakPolarHBondContact OD1-CB 3.41Å; N169-K171 PolarHBondContact OD1-N 2.65Å; K171-I211 HydrophobicContact CB-CD1 4.12Å; K171-T240 WeakPolarHBondContact O-CB 3.27Å; K171-T240 PolarHBondContact O-N 2.92Å; K171-T240 PolarHBondContact O-OG1 3.46Å
172Y89.6Confident92.7Very high9 Ų955.6 Ų55.64%0.03528%0.283CS..BIsolated β-bridgetrans-65129.6-178.8-175-96.2000111.7R167 N169 N170 Y174 S178 D179 M182 I211 V242R167-Y172 HydrophobicContact CG-CD1 4.42Å; R167-Y172 HydrophobicContact CG-CE1 4.08Å; N169-Y172 WeakPolarHBondContact O-CB 3.4Å; N169-Y172 PolarHBondContact O-N 3.36Å; N170-Y172 VanDerWaalsContact C-N 3.35Å; Y172-Y174 AromaticContact CD1-CD1 3.49Å; Y172-Y174 HydrophobicContact CD1-CD1 3.49Å; Y172-Y174 VanDerWaalsContact CD1-CD1 3.49Å; Y172-Y174 AromaticContact CD1-CD2 3.89Å; Y172-Y174 HydrophobicContact CD1-CD2 3.89Å; Y172-Y174 AromaticContact CD1-CE1 3.44Å; Y172-Y174 HydrophobicContact CD1-CE1 3.44Å; Y172-Y174 VanDerWaalsContact CD1-CE1 3.44Å; Y172-Y174 AromaticContact CD1-CE2 3.86Å; Y172-Y174 HydrophobicContact CD1-CE2 3.86Å; Y172-Y174 AromaticContact CD1-CG 3.7Å; Y172-Y174 HydrophobicContact CD1-CG 3.7Å; Y172-Y174 AromaticContact CD1-CZ 3.63Å; Y172-Y174 AromaticContact CE1-CD1 3.54Å; Y172-Y174 HydrophobicContact CE1-CD1 3.54Å; Y172-Y174 AromaticContact CE1-CE1 3.77Å; Y172-Y174 HydrophobicContact CE1-CE1 3.77Å; Y172-Y174 AromaticContact CE1-CG 3.99Å; Y172-Y174 HydrophobicContact CE1-CG 3.99Å; Y172-S178 PolarHBondContact OH-O 3.2Å; Y172-D179 WeakPolarHBondContact CE1-OD1 3.22Å; Y172-D179 WeakPolarHBondContact OH-CA 3.27Å; Y172-D179 PolarHBondContact OH-N 2.84Å; Y172-D179 PolarHBondContact OH-OD1 3.07Å; Y172-M182 HydrophobicContact CE2-CE 3.89Å; Y172-I211 HydrophobicContact CD2-CG2 3.59Å; Y172-I211 HydrophobicContact CE2-CG2 4.08Å; Y172-V242 HydrophobicContact CD2-CG2 4.13Å; Y172-V242 HydrophobicContact CE2-CG2 3.55Å
173S89.8Confident92.8Very high1 Ų160.1 Ų60.11%0.00731%0.307CS..  trans-87.7106.6173.9-170.70000110.3T175 S178 Q239 T240S173-T175 PolarHBondContact O-N 2.66Å; S173-S178 WeakPolarHBondContact O-CB 3.42Å; S173-S178 PolarHBondContact O-OG 3.21Å; S173-Q239 PolarHBondContact OG-OE1 3.33Å; S173-T240 VanDerWaalsContact CB-O 3.25Å; S173-T240 WeakPolarHBondContact CB-O 3.41Å; S173-T240 PolarHBondContact N-O 3.06Å
174Y89.4Confident92.8Very high141 Ų14164.4 Ų64.455%0.55333%0.326SS*.  trans-75.250.9178.8-64.8-83.7000113.6R167 Y172R167-Y174 HydrophobicContact CG-CE1 4.23Å; R167-Y174 PolarHBondContact O-OH 3Å; Y172-Y174 AromaticContact CD1-CD1 3.49Å; Y172-Y174 HydrophobicContact CD1-CD1 3.49Å; Y172-Y174 VanDerWaalsContact CD1-CD1 3.49Å; Y172-Y174 AromaticContact CD1-CD2 3.89Å; Y172-Y174 HydrophobicContact CD1-CD2 3.89Å; Y172-Y174 AromaticContact CD1-CE1 3.44Å; Y172-Y174 HydrophobicContact CD1-CE1 3.44Å; Y172-Y174 VanDerWaalsContact CD1-CE1 3.44Å; Y172-Y174 AromaticContact CD1-CE2 3.86Å; Y172-Y174 HydrophobicContact CD1-CE2 3.86Å; Y172-Y174 AromaticContact CD1-CG 3.7Å; Y172-Y174 HydrophobicContact CD1-CG 3.7Å; Y172-Y174 AromaticContact CD1-CZ 3.63Å; Y172-Y174 AromaticContact CE1-CD1 3.54Å; Y172-Y174 HydrophobicContact CE1-CD1 3.54Å; Y172-Y174 AromaticContact CE1-CE1 3.77Å; Y172-Y174 HydrophobicContact CE1-CE1 3.77Å; Y172-Y174 AromaticContact CE1-CG 3.99Å; Y172-Y174 HydrophobicContact CE1-CG 3.99Å
175T90.6Very high92.9Very high50 Ų5063.9 Ų63.931%0.30732%0.323SS..  trans-89.7151.116967.90000109.8S173 N177 S178 D179S173-T175 PolarHBondContact O-N 2.66Å; T175-N177 PolarHBondContact O-N 3.37Å; T175-S178 PolarHBondContact O-N 2.87Å; T175-S178 PolarHBondContact OG1-N 2.95Å; T175-S178 PolarHBondContact OG1-OG 2.97Å; T175-S178 VanDerWaalsContact OG1-OG 3.12Å; T175-D179 PolarHBondContact O-N 2.75Å; T175-D179 VanDerWaalsContact O-N 3.08Å
176S91.6Very high93Very high94 Ų9462.9 Ų62.966%0.65732%0.321SS*.Hα-helixtrans-52.7-41.5176.1-51.80000111.9S178 D179 D180S176-S178 PolarHBondContact O-N 3.23Å; S176-D179 PolarHBondContact O-N 2.81Å; S176-D180 WeakPolarHBondContact O-CB 3.33Å; S176-D180 PolarHBondContact O-N 3.28Å
177N93.2Very high93.3Very high85 Ų8566.7 Ų66.746%0.45534%0.339SS..Hα-helixtrans-62.4-40.8177.7-174.586.7000113.3T175 N181T175-N177 PolarHBondContact O-N 3.37Å; N177-N181 PolarHBondContact ND2-ND2 3.08Å; N177-N181 WeakPolarHBondContact O-CB 3.4Å; N177-N181 VanDerWaalsContact O-CG 3.26Å; N177-N181 PolarHBondContact O-N 3.18Å; N177-N181 PolarHBondContact O-ND2 3.1Å
178S93.9Very high93.7Very high0 Ų060.7 Ų60.70%032%0.316CS..Hα-helixtrans-64.7-44.5175.4-63.80000111.6Y172 S173 T175 S176 N181 M182 V242Y172-S178 PolarHBondContact OH-O 3.2Å; S173-S178 WeakPolarHBondContact O-CB 3.42Å; S173-S178 PolarHBondContact O-OG 3.21Å; T175-S178 PolarHBondContact O-N 2.87Å; T175-S178 PolarHBondContact OG1-N 2.95Å; T175-S178 PolarHBondContact OG1-OG 2.97Å; T175-S178 VanDerWaalsContact OG1-OG 3.12Å; S176-S178 PolarHBondContact O-N 3.23Å; S178-N181 PolarHBondContact O-N 3.5Å; S178-M182 WeakPolarHBondContact O-CB 3.11Å; S178-M182 PolarHBondContact O-N 2.98Å; S178-V242 PolarHBondContact OG-N 3.33Å
179D94.6Very high94.1Very high38 Ų3856.1 Ų56.120%0.20328%0.284CS..Hα-helixtrans-64.4-43.6179.3-84.1-15.8000110.9R167 Y172 T175 S176 N181 M182 L183R167-D179 IonicContact CZ-OD1 3.61Å; R167-D179 IonicContact CZ-OD2 3.75Å; R167-D179 IonicContact NE-OD1 2.99Å; R167-D179 PolarHBondContact NE-OD1 3.31Å; R167-D179 IonicContact NE-OD2 3.88Å; R167-D179 IonicContact NH2-OD1 3.42Å; R167-D179 PolarHBondContact NH2-OD1 3.49Å; R167-D179 IonicContact NH2-OD2 2.84Å; R167-D179 PolarHBondContact NH2-OD2 2.93Å; Y172-D179 WeakPolarHBondContact CE1-OD1 3.22Å; Y172-D179 WeakPolarHBondContact OH-CA 3.27Å; Y172-D179 PolarHBondContact OH-N 2.84Å; Y172-D179 PolarHBondContact OH-OD1 3.07Å; T175-D179 PolarHBondContact O-N 2.75Å; T175-D179 VanDerWaalsContact O-N 3.08Å; S176-D179 PolarHBondContact O-N 2.81Å; D179-N181 PolarHBondContact O-N 3.22Å; D179-M182 WeakPolarHBondContact O-CB 3.31Å; D179-M182 PolarHBondContact O-N 3.48Å; D179-L183 WeakPolarHBondContact O-CG 3.48Å; D179-L183 PolarHBondContact O-N 3.03Å
180D96.9Very high94.4Very high86 Ų8658.1 Ų58.146%0.4630%0.295SS..Hα-helixtrans-60.7-44.9175.5-70.6-17.7000111.5S176 M182 L183 K184S176-D180 WeakPolarHBondContact O-CB 3.33Å; S176-D180 PolarHBondContact O-N 3.28Å; D180-M182 VanDerWaalsContact C-N 3.34Å; D180-M182 PolarHBondContact O-N 3.3Å; D180-L183 PolarHBondContact O-N 3.2Å; D180-K184 WeakPolarHBondContact O-CG 3.45Å; D180-K184 PolarHBondContact O-N 3.29Å
181N97.1Very high94.8Very high13 Ų1355.5 Ų55.57%0.0728%0.276CS..Hα-helixtrans-67.1-35.1177.8-75.7-16.8000112.2N177 S178 D179 K184 N185 V242 F244N177-N181 PolarHBondContact ND2-ND2 3.08Å; N177-N181 WeakPolarHBondContact O-CB 3.4Å; N177-N181 VanDerWaalsContact O-CG 3.26Å; N177-N181 PolarHBondContact O-N 3.18Å; N177-N181 PolarHBondContact O-ND2 3.1Å; S178-N181 PolarHBondContact O-N 3.5Å; D179-N181 PolarHBondContact O-N 3.22Å; N181-K184 PolarHBondContact O-N 3.44Å; N181-N185 PolarHBondContact O-N 3.02Å; N181-N185 PolarHBondContact O-ND2 3.46Å; N181-V242 HydrophobicContact CB-CB 4.46Å; N181-V242 HydrophobicContact CB-CG1 4.04Å; N181-V242 WeakPolarHBondContact CB-O 3.42Å; N181-V242 PolarHBondContact ND2-O 3.21Å; N181-F244 HydrophobicContact CB-CB 4.1Å
182M96.1Very high95.2Very high7 Ų749.5 Ų49.53%0.03425%0.25CC..Hα-helixtrans-61.2-46.6173-176.26584.300110.9Y172 S178 D179 D180 K184 N185 I186 I211 C212 V242Y172-M182 HydrophobicContact CE2-CE 3.89Å; S178-M182 WeakPolarHBondContact O-CB 3.11Å; S178-M182 PolarHBondContact O-N 2.98Å; D179-M182 WeakPolarHBondContact O-CB 3.31Å; D179-M182 PolarHBondContact O-N 3.48Å; D180-M182 VanDerWaalsContact C-N 3.34Å; D180-M182 PolarHBondContact O-N 3.3Å; M182-K184 PolarHBondContact O-N 2.97Å; M182-N185 WeakPolarHBondContact O-CB 3.41Å; M182-N185 PolarHBondContact O-N 3.27Å; M182-I186 HydrophobicContact CG-CD1 4.17Å; M182-I186 WeakPolarHBondContact O-CG1 3.42Å; M182-I186 PolarHBondContact O-N 3.4Å; M182-I186 VanDerWaalsContact O-N 3.08Å; M182-I211 HydrophobicContact CE-CG2 4.04Å; M182-C212 HydrophobicContact CE-CB 4.07Å; M182-C212 HydrophobicContact SD-CB 4.23Å; M182-V242 HydrophobicContact CB-CG1 4.39Å; M182-V242 HydrophobicContact CE-CG2 4.01Å
183L97.3Very high95.6Very high109 Ų10949.3 Ų49.357%0.57125%0.25SC*.Hα-helixtrans-62.9-41.3177.6-68.6174.5000111.9D179 D180 N185 I186 E187D179-L183 WeakPolarHBondContact O-CG 3.48Å; D179-L183 PolarHBondContact O-N 3.03Å; D180-L183 PolarHBondContact O-N 3.2Å; L183-N185 VanDerWaalsContact C-N 3.34Å; L183-N185 PolarHBondContact O-N 2.93Å; L183-I186 PolarHBondContact O-N 3.05Å; L183-E187 WeakPolarHBondContact O-CB 3.32Å; L183-E187 PolarHBondContact O-N 2.87Å
184K98Very high95.8Very high91 Ų9154.8 Ų54.840%0.39628%0.278SS..Hα-helixtrans-60.8-39.9175-72.1172.9-174170.80112.7D180 N181 M182 L188 F244D180-K184 WeakPolarHBondContact O-CG 3.45Å; D180-K184 PolarHBondContact O-N 3.29Å; N181-K184 PolarHBondContact O-N 3.44Å; M182-K184 PolarHBondContact O-N 2.97Å; K184-L188 VanDerWaalsContact O-CB 3.26Å; K184-L188 WeakPolarHBondContact O-CB 2.98Å; K184-L188 PolarHBondContact O-N 2.93Å; K184-F244 HydrophobicContact CB-CB 4.45Å; K184-F244 HydrophobicContact CB-CD1 3.79Å; K184-F244 HydrophobicContact CB-CD2 3.81Å; K184-F244 HydrophobicContact CB-CE1 3.87Å; K184-F244 HydrophobicContact CB-CE2 3.91Å; K184-F244 HydrophobicContact CB-CG 3.75Å; K184-F244 HydrophobicContact CB-CZ 3.93Å; K184-F244 HydrophobicContact CD-CD1 3.72Å; K184-F244 HydrophobicContact CD-CE1 4.12Å; K184-F244 HydrophobicContact CD-CG 4.23Å; K184-F244 HydrophobicContact CG-CD1 4.33Å; K184-F244 HydrophobicContact CG-CE1 4.4Å; K184-F244 WeakPolarHBondContact O-CE2 3.39Å
185N98.2Very high96.1Very high0 Ų057.1 Ų57.10%029%0.286CS..Hα-helixtrans-61.9-45.4173.7-82.3-77.9000111.4N181 M182 L183 L188 F189 W214 E243 I249N181-N185 PolarHBondContact O-N 3.02Å; N181-N185 PolarHBondContact O-ND2 3.46Å; M182-N185 WeakPolarHBondContact O-CB 3.41Å; M182-N185 PolarHBondContact O-N 3.27Å; L183-N185 VanDerWaalsContact C-N 3.34Å; L183-N185 PolarHBondContact O-N 2.93Å; N185-L188 PolarHBondContact O-N 3.46Å; N185-F189 WeakPolarHBondContact O-CB 3.38Å; N185-F189 PolarHBondContact O-N 3.47Å; N185-W214 VanDerWaalsContact O-CZ2 3.3Å; N185-W214 WeakPolarHBondContact O-CZ2 3.42Å; N185-W214 PolarHBondContact OD1-NE1 3.48Å; N185-E243 PolarHBondContact ND2-O 2.95Å; N185-I249 WeakPolarHBondContact OD1-CD1 3.26Å
186I97.8Very high96.3Very high36 Ų3655.5 Ų55.519%0.18528%0.275CS..Hα-helixtrans-64.3-46178.7-64.9165.8000110.9L163 Y165 M182 L183 L188 F189 D190L163-I186 HydrophobicContact CD2-CG1 4.37Å; Y165-I186 HydrophobicContact CD2-CD1 3.98Å; Y165-I186 HydrophobicContact CD2-CG1 4.43Å; Y165-I186 HydrophobicContact CE2-CD1 4.11Å; Y165-I186 HydrophobicContact CG-CD1 4.43Å; Y165-I186 HydrophobicContact CG-CG1 4.41Å; M182-I186 HydrophobicContact CG-CD1 4.17Å; M182-I186 WeakPolarHBondContact O-CG1 3.42Å; M182-I186 PolarHBondContact O-N 3.4Å; M182-I186 VanDerWaalsContact O-N 3.08Å; L183-I186 PolarHBondContact O-N 3.05Å; I186-L188 PolarHBondContact O-N 2.96Å; I186-F189 WeakPolarHBondContact O-CB 3.48Å; I186-F189 PolarHBondContact O-N 3.25Å; I186-D190 PolarHBondContact O-N 3.48Å
187E98.1Very high96.3Very high103 Ų10354.7 Ų54.748%0.48126%0.263SS..Hα-helixtrans-62.3-43.5179-172.3-170.9165.300111.6L183 F189 D190 K191L183-E187 WeakPolarHBondContact O-CB 3.32Å; L183-E187 PolarHBondContact O-N 2.87Å; E187-F189 VanDerWaalsContact C-N 3.32Å; E187-F189 PolarHBondContact O-N 3.34Å; E187-D190 PolarHBondContact O-N 2.93Å; E187-K191 HydrophobicContact CG-CD 4.49Å; E187-K191 WeakPolarHBondContact O-CG 3.36Å; E187-K191 PolarHBondContact O-N 3.32Å; E187-K191 WeakPolarHBondContact OE1-CE 3.26Å; E187-K191 IonicContact OE1-NZ 2.96Å; E187-K191 PolarHBondContact OE1-NZ 2.84Å
188L98.4Very high96Very high5 Ų552.7 Ų52.73%0.02626%0.263CS..Hα-helixtrans-61.3-43.1176.4179.157.6000111.2K184 N185 I186 D190 K191 L192 W214 F244 E246 I249 Y250K184-L188 VanDerWaalsContact O-CB 3.26Å; K184-L188 WeakPolarHBondContact O-CB 2.98Å; K184-L188 PolarHBondContact O-N 2.93Å; N185-L188 PolarHBondContact O-N 3.46Å; I186-L188 PolarHBondContact O-N 2.96Å; L188-D190 VanDerWaalsContact C-N 3.34Å; L188-D190 PolarHBondContact O-N 3.22Å; L188-K191 PolarHBondContact O-N 3.02Å; L188-L192 HydrophobicContact CD1-CD1 3.99Å; L188-L192 HydrophobicContact CD1-CG 4.03Å; L188-L192 HydrophobicContact CG-CD1 3.91Å; L188-L192 HydrophobicContact CG-CG 4.37Å; L188-L192 WeakPolarHBondContact O-CB 3.5Å; L188-L192 VanDerWaalsContact O-CG 3.26Å; L188-L192 WeakPolarHBondContact O-CG 3.42Å; L188-L192 PolarHBondContact O-N 3.39Å; L188-W214 HydrophobicContact CB-CH2 4.38Å; L188-W214 HydrophobicContact CB-CZ2 4.35Å; L188-W214 HydrophobicContact CD2-CH2 4.4Å; L188-W214 HydrophobicContact CD2-CZ2 4.31Å; L188-W214 HydrophobicContact CG-CH2 4.09Å; L188-W214 HydrophobicContact CG-CZ2 4.32Å; L188-F244 HydrophobicContact CB-CE2 3.99Å; L188-F244 HydrophobicContact CB-CZ 4.2Å; L188-F244 HydrophobicContact CD2-CE2 3.63Å; L188-F244 HydrophobicContact CD2-CZ 3.87Å; L188-F244 HydrophobicContact CG-CE2 4.45Å; L188-E246 HydrophobicContact CD2-CG 4.3Å; L188-I249 HydrophobicContact CD2-CB 4Å; L188-I249 HydrophobicContact CD2-CD1 4.1Å; L188-I249 HydrophobicContact CD2-CG2 3.68Å; L188-I249 HydrophobicContact CG-CG2 4.45Å; L188-Y250 HydrophobicContact CD1-CD2 4.16Å; L188-Y250 HydrophobicContact CD1-CE1 4.12Å; L188-Y250 HydrophobicContact CD1-CE2 3.37Å; L188-Y250 VanDerWaalsContact CD1-OH 3.27Å; L188-Y250 WeakPolarHBondContact CD1-OH 3.48Å; L188-Y250 HydrophobicContact CD2-CD2 4.47Å; L188-Y250 HydrophobicContact CD2-CE2 4.34Å
189F98.3Very high96Very high0 Ų058.7 Ų58.70%029%0.285CS..Hα-helixtrans-60.1-46.1177.2179.5-83.8000111.5V140 V161 L163 N185 I186 E187 K191 L192 S193 F202 I203 K204 W214V140-F189 HydrophobicContact CG1-CE1 3.69Å; V140-F189 HydrophobicContact CG1-CZ 4.02Å; V140-F189 HydrophobicContact CG2-CE1 4.48Å; V161-F189 HydrophobicContact CG1-CE2 4.35Å; L163-F189 HydrophobicContact CB-CB 4.45Å; L163-F189 HydrophobicContact CB-CD2 3.28Å; L163-F189 HydrophobicContact CB-CE2 3.56Å; L163-F189 HydrophobicContact CB-CG 3.94Å; L163-F189 HydrophobicContact CB-CZ 4.44Å; L163-F189 HydrophobicContact CD2-CB 3.63Å; L163-F189 HydrophobicContact CD2-CD2 4.08Å; L163-F189 HydrophobicContact CD2-CG 3.87Å; L163-F189 HydrophobicContact CG-CD2 4.3Å; N185-F189 WeakPolarHBondContact O-CB 3.38Å; N185-F189 PolarHBondContact O-N 3.47Å; I186-F189 WeakPolarHBondContact O-CB 3.48Å; I186-F189 PolarHBondContact O-N 3.25Å; E187-F189 VanDerWaalsContact C-N 3.32Å; E187-F189 PolarHBondContact O-N 3.34Å; F189-K191 PolarHBondContact O-N 3.38Å; F189-L192 PolarHBondContact O-N 2.69Å; F189-S193 WeakPolarHBondContact O-CB 3.46Å; F189-S193 PolarHBondContact O-N 2.72Å; F189-S193 PolarHBondContact O-OG 3.48Å; F189-F202 HydrophobicContact CD2-CD1 4.14Å; F189-F202 HydrophobicContact CE1-CB 4.2Å; F189-F202 HydrophobicContact CE1-CD1 4.44Å; F189-F202 HydrophobicContact CE2-CB 4.27Å; F189-F202 AromaticContact CE2-CD1 3.74Å; F189-F202 HydrophobicContact CE2-CD1 3.74Å; F189-F202 HydrophobicContact CZ-CB 3.67Å; F189-F202 AromaticContact CZ-CD1 3.92Å; F189-F202 HydrophobicContact CZ-CD1 3.92Å; F189-F202 HydrophobicContact CZ-CG 4.29Å; F189-I203 WeakPolarHBondContact CE2-O 3.39Å; F189-I203 VanDerWaalsContact CZ-O 3.27Å; F189-I203 WeakPolarHBondContact CZ-O 3.21Å; F189-K204 HydrophobicContact CD1-CD 4.47Å; F189-K204 VanDerWaalsContact CD1-CE 3.41Å; F189-K204 HydrophobicContact CD1-CG 4.19Å; F189-K204 HydrophobicContact CE1-CD 4.16Å; F189-K204 VanDerWaalsContact CE1-CE 3.47Å; F189-K204 HydrophobicContact CE1-CG 3.6Å; F189-K204 HydrophobicContact CZ-CG 3.89Å; F189-W214 VanDerWaalsContact CA-CH2 3.41Å; F189-W214 HydrophobicContact CB-CH2 3.49Å; F189-W214 VanDerWaalsContact CB-CH2 3.49Å; F189-W214 HydrophobicContact CB-CZ2 3.97Å; F189-W214 HydrophobicContact CB-CZ3 4.14Å; F189-W214 HydrophobicContact CD2-CE3 4.35Å; F189-W214 AromaticContact CD2-CH2 3.99Å; F189-W214 HydrophobicContact CD2-CH2 3.99Å; F189-W214 AromaticContact CD2-CZ3 3.76Å; F189-W214 HydrophobicContact CD2-CZ3 3.76Å; F189-W214 HydrophobicContact CG-CH2 4.23Å; F189-W214 HydrophobicContact CG-CZ3 4.43Å
190D96.9Very high96Very high60 Ų6057.2 Ų57.232%0.32128%0.278SS..Hα-helixtrans-63.6-43.5179.1-69.1-19.7000110.8I186 E187 L188 L192 S193 L194 K204I186-D190 PolarHBondContact O-N 3.48Å; E187-D190 PolarHBondContact O-N 2.93Å; L188-D190 VanDerWaalsContact C-N 3.34Å; L188-D190 PolarHBondContact O-N 3.22Å; D190-L192 PolarHBondContact O-N 2.96Å; D190-S193 WeakPolarHBondContact CA-OG 3.45Å; D190-S193 PolarHBondContact O-N 3.48Å; D190-S193 PolarHBondContact O-OG 2.86Å; D190-L194 WeakPolarHBondContact O-CG 3.26Å; D190-L194 PolarHBondContact O-N 3.49Å; D190-L194 VanDerWaalsContact O-N 3.09Å; D190-K204 WeakPolarHBondContact OD1-CE 3.44Å; D190-K204 IonicContact OD1-NZ 2.68Å; D190-K204 PolarHBondContact OD1-NZ 2.95Å; D190-K204 IonicContact OD2-NZ 2.72Å; D190-K204 PolarHBondContact OD2-NZ 3Å
191K96.9Very high95.9Very high111 Ų11154.6 Ų54.648%0.48326%0.264SS..Hα-helixtrans-58.7-44.8174-74.6176.5-176.4167.60112.8E187 L188 F189 R195E187-K191 HydrophobicContact CG-CD 4.49Å; E187-K191 WeakPolarHBondContact O-CG 3.36Å; E187-K191 PolarHBondContact O-N 3.32Å; E187-K191 WeakPolarHBondContact OE1-CE 3.26Å; E187-K191 IonicContact OE1-NZ 2.96Å; E187-K191 PolarHBondContact OE1-NZ 2.84Å; L188-K191 PolarHBondContact O-N 3.02Å; F189-K191 PolarHBondContact O-N 3.38Å; K191-R195 WeakPolarHBondContact O-CB 3.44Å; K191-R195 PolarHBondContact O-N 3.2Å
192L97.3Very high95.9Very high1 Ų154.3 Ų54.31%0.00526%0.262CS..Hα-helixtrans-67.8-41.1179.6-70.6173.2000111.6L188 F189 D190 L194 R195 F196 F202 W214 I249 Y250 T253L188-L192 HydrophobicContact CD1-CD1 3.99Å; L188-L192 HydrophobicContact CD1-CG 4.03Å; L188-L192 HydrophobicContact CG-CD1 3.91Å; L188-L192 HydrophobicContact CG-CG 4.37Å; L188-L192 WeakPolarHBondContact O-CB 3.5Å; L188-L192 VanDerWaalsContact O-CG 3.26Å; L188-L192 WeakPolarHBondContact O-CG 3.42Å; L188-L192 PolarHBondContact O-N 3.39Å; F189-L192 PolarHBondContact O-N 2.69Å; D190-L192 PolarHBondContact O-N 2.96Å; L192-L194 VanDerWaalsContact C-N 3.31Å; L192-L194 PolarHBondContact O-N 3.18Å; L192-R195 PolarHBondContact O-N 3.2Å; L192-F196 HydrophobicContact CD2-CD2 4.13Å; L192-F196 HydrophobicContact CD2-CE2 3.72Å; L192-F196 WeakPolarHBondContact O-CD2 3.4Å; L192-F196 PolarHBondContact O-N 2.81Å; L192-F202 VanDerWaalsContact C-CZ 3.48Å; L192-F202 HydrophobicContact CB-CE1 3.7Å; L192-F202 HydrophobicContact CB-CZ 3.85Å; L192-F202 WeakPolarHBondContact O-CZ 3.42Å; L192-W214 HydrophobicContact CD1-CH2 4Å; L192-W214 HydrophobicContact CD1-CZ3 3.95Å; L192-I249 HydrophobicContact CD1-CG2 4.3Å; L192-Y250 HydrophobicContact CD2-CD1 3.92Å; L192-Y250 HydrophobicContact CD2-CE1 3.54Å; L192-Y250 HydrophobicContact CG-CE1 4.44Å; L192-T253 HydrophobicContact CD1-CG2 4.26Å; L192-T253 HydrophobicContact CD2-CG2 4.13Å
193S97Very high95.9Very high4 Ų454 Ų543%0.02826%0.26CS..Hα-helixtrans-61.9-38.1177.970.90000113F189 D190 N197 F202F189-S193 WeakPolarHBondContact O-CB 3.46Å; F189-S193 PolarHBondContact O-N 2.72Å; F189-S193 PolarHBondContact O-OG 3.48Å; D190-S193 WeakPolarHBondContact CA-OG 3.45Å; D190-S193 PolarHBondContact O-N 3.48Å; D190-S193 PolarHBondContact O-OG 2.86Å; S193-N197 WeakPolarHBondContact O-CA 3.36Å; S193-N197 WeakPolarHBondContact O-CB 3.11Å; S193-N197 PolarHBondContact O-N 2.92Å; S193-N197 VanDerWaalsContact O-N 3.15Å; S193-F202 VanDerWaalsContact CA-CD2 3.49Å
194L95Very high95.9Very high117 Ų11750.3 Ų50.361%0.61324%0.24SC*.Hα-helixtrans-69.2-45.4172.7-68.7172000111.5C138 D190 L192 F196 N197C138-L194 HydrophobicContact CB-CD2 3.96Å; D190-L194 WeakPolarHBondContact O-CG 3.26Å; D190-L194 PolarHBondContact O-N 3.49Å; D190-L194 VanDerWaalsContact O-N 3.09Å; L192-L194 VanDerWaalsContact C-N 3.31Å; L192-L194 PolarHBondContact O-N 3.18Å; L194-F196 PolarHBondContact O-N 3.4Å; L194-N197 WeakPolarHBondContact O-CB 3.22Å; L194-N197 PolarHBondContact O-N 2.9Å
195R94.8Very high95.7Very high189 Ų18946.2 Ų46.271%0.71322%0.222SC*.Hα-helixtrans-65.8-38.1-176-177.9172.3-177.7143.80.3113.4K191 L192K191-R195 WeakPolarHBondContact O-CB 3.44Å; K191-R195 PolarHBondContact O-N 3.2Å; L192-R195 PolarHBondContact O-N 3.2Å
196F94.4Very high95.2Very high17 Ų1748.7 Ų48.78%0.07524%0.237CC..THydrogen-bonded Turntrans-108.222-177.9-60.6-73.4000112.2L192 L194 G198 R199 V200 F202 T253 L254 L257L192-F196 HydrophobicContact CD2-CD2 4.13Å; L192-F196 HydrophobicContact CD2-CE2 3.72Å; L192-F196 WeakPolarHBondContact O-CD2 3.4Å; L192-F196 PolarHBondContact O-N 2.81Å; L194-F196 PolarHBondContact O-N 3.4Å; F196-G198 PolarHBondContact O-N 2.82Å; F196-R199 PolarHBondContact O-N 3.11Å; F196-R199 VanDerWaalsContact O-N 3.09Å; F196-V200 HydrophobicContact CB-CB 4.19Å; F196-V200 HydrophobicContact CB-CG2 4.05Å; F196-V200 PolarHBondContact O-N 3.12Å; F196-V200 VanDerWaalsContact O-N 3.08Å; F196-F202 HydrophobicContact CB-CE2 3.93Å; F196-F202 HydrophobicContact CB-CZ 4.23Å; F196-F202 HydrophobicContact CD2-CZ 4.44Å; F196-T253 HydrophobicContact CD2-CG2 4.12Å; F196-T253 HydrophobicContact CE2-CG2 4.02Å; F196-L254 HydrophobicContact CZ-CD2 3.92Å; F196-L257 HydrophobicContact CD1-CD1 4.26Å; F196-L257 HydrophobicContact CD1-CD2 4.2Å; F196-L257 HydrophobicContact CE1-CD1 3.77Å; F196-L257 HydrophobicContact CZ-CD1 4.4Å
197N91.5Very high94.5Very high76 Ų7651 Ų5141%0.40625%0.249SC..THydrogen-bonded Turntrans-54.6139.3176.6-175.751.8000110.9L137 S193 L194 R199L137-N197 PolarHBondContact O-ND2 2.85Å; L137-N197 PolarHBondContact O-OD1 3.5Å; S193-N197 WeakPolarHBondContact O-CA 3.36Å; S193-N197 WeakPolarHBondContact O-CB 3.11Å; S193-N197 PolarHBondContact O-N 2.92Å; S193-N197 VanDerWaalsContact O-N 3.15Å; L194-N197 WeakPolarHBondContact O-CB 3.22Å; L194-N197 PolarHBondContact O-N 2.9Å; N197-R199 PolarHBondContact O-N 3.2Å; N197-R199 VanDerWaalsContact O-N 3.16Å
198G88.4Confident93.7Very high44 Ų4446.8 Ų46.845%0.45423%0.234SC..THydrogen-bonded Turntrans80.7-25.7-177.100000114.6K158 F196K158-G198 VanDerWaalsContact CE-O 3.24Å; K158-G198 WeakPolarHBondContact CE-O 3.48Å; K158-G198 PolarHBondContact NZ-O 2.97Å; F196-G198 PolarHBondContact O-N 2.82Å
199R92.6Very high93.2Very high125 Ų12552.9 Ų52.947%0.47227%0.266SS..THydrogen-bonded Turntrans-96.2-45.4-179.3-69.7-178.2661755113.6K158 F196 N197 E260K158-R199 WeakPolarHBondContact CB-O 3.42Å; F196-R199 PolarHBondContact O-N 3.11Å; F196-R199 VanDerWaalsContact O-N 3.09Å; N197-R199 PolarHBondContact O-N 3.2Å; N197-R199 VanDerWaalsContact O-N 3.16Å; R199-E260 WeakPolarHBondContact CB-OE1 3.35Å; R199-E260 IonicContact CZ-OE1 3.42Å; R199-E260 VanDerWaalsContact CZ-OE1 3.26Å; R199-E260 IonicContact CZ-OE2 2.72Å; R199-E260 IonicContact NE-OE1 2.8Å; R199-E260 PolarHBondContact NE-OE1 2.9Å; R199-E260 IonicContact NE-OE2 3.81Å; R199-E260 PolarHBondContact NE-OE2 2.96Å; R199-E260 IonicContact NH2-OE1 2.69Å; R199-E260 PolarHBondContact NH2-OE1 2.82Å; R199-E260 IonicContact NH2-OE2 2.99Å; R199-E260 PolarHBondContact NH2-OE2 2.85Å
200V94.5Very high92.8Very high7 Ų757 Ų574%0.04229%0.286CS..SBendtrans-113.6140.2-178.4174.40000109P159 V161 F196 F202 I256 L257P159-V200 HydrophobicContact CG-CG2 4.12Å; P159-V200 WeakPolarHBondContact O-CA 3.23Å; P159-V200 WeakPolarHBondContact O-CG1 3.32Å; V161-V200 HydrophobicContact CB-CG1 4.39Å; V161-V200 HydrophobicContact CG2-CG1 3.77Å; F196-V200 HydrophobicContact CB-CB 4.19Å; F196-V200 HydrophobicContact CB-CG2 4.05Å; F196-V200 PolarHBondContact O-N 3.12Å; F196-V200 VanDerWaalsContact O-N 3.08Å; V200-F202 HydrophobicContact CB-CD2 4.12Å; V200-F202 HydrophobicContact CB-CE2 3.54Å; V200-F202 HydrophobicContact CB-CZ 4.23Å; V200-F202 HydrophobicContact CG1-CD2 3.84Å; V200-F202 HydrophobicContact CG1-CE2 3.45Å; V200-F202 VanDerWaalsContact CG1-CE2 3.45Å; V200-F202 HydrophobicContact CG1-CZ 3.83Å; V200-I256 HydrophobicContact CG1-CD1 3.65Å; V200-I256 HydrophobicContact CG2-CD1 3.99Å; V200-L257 HydrophobicContact CG2-CD2 3.44Å; V200-L257 VanDerWaalsContact CG2-CD2 3.44Å
201L95.6Very high92.6Very high31 Ų3154.6 Ų54.616%0.16227%0.273CS..EExtended strand (participates in β ladder)trans-84.3119.9170.3176.661.5000109.6L152 K158 P159 T160 V161 I203L152-L201 HydrophobicContact CD1-CD2 4.41Å; L152-L201 HydrophobicContact CD2-CD2 4.34Å; L152-L201 HydrophobicContact CG-CD2 3.98Å; K158-L201 HydrophobicContact CB-CB 4.31Å; P159-L201 PolarHBondContact O-N 3.47Å; T160-L201 CarbonylContact C-O 3.48Å; T160-L201 VanDerWaalsContact CA-O 3.23Å; T160-L201 WeakPolarHBondContact CA-O 3.4Å; T160-L201 HydrophobicContact CG2-CB 4.27Å; T160-L201 HydrophobicContact CG2-CD2 4.21Å; T160-L201 HydrophobicContact CG2-CG 4.14Å; T160-L201 WeakPolarHBondContact CG2-O 3.27Å; V161-L201 PolarHBondContact N-O 3.15Å; L201-I203 HydrophobicContact CD2-CD1 4.14Å; L201-I203 HydrophobicContact CD2-CG1 4.46Å; L201-I203 HydrophobicContact CG-CD1 4.29Å; L201-I203 HydrophobicContact CG-CG1 4.11Å
202F97.3Very high92.5Very high7 Ų749.4 Ų49.43%0.03125%0.25CC..EExtended strand (participates in β ladder)trans-104.7132.3177-76.5-95.3000110.7V140 P141 V161 F189 L192 S193 F196 V200V140-F202 HydrophobicContact CG2-CB 4.31Å; P141-F202 WeakPolarHBondContact CD-O 3.33Å; V161-F202 HydrophobicContact CB-CD1 3.79Å; V161-F202 HydrophobicContact CB-CE1 3.75Å; V161-F202 HydrophobicContact CB-CZ 4.47Å; V161-F202 HydrophobicContact CG1-CD1 4.12Å; V161-F202 HydrophobicContact CG1-CE1 4.01Å; V161-F202 HydrophobicContact CG2-CD1 4.46Å; V161-F202 HydrophobicContact CG2-CE1 3.97Å; V161-F202 HydrophobicContact CG2-CZ 4.28Å; V161-F202 CarbonylContact O-C 3.56Å; V161-F202 WeakPolarHBondContact O-CA 3.47Å; F189-F202 HydrophobicContact CD2-CD1 4.14Å; F189-F202 HydrophobicContact CE1-CB 4.2Å; F189-F202 HydrophobicContact CE1-CD1 4.44Å; F189-F202 HydrophobicContact CE2-CB 4.27Å; F189-F202 AromaticContact CE2-CD1 3.74Å; F189-F202 HydrophobicContact CE2-CD1 3.74Å; F189-F202 HydrophobicContact CZ-CB 3.67Å; F189-F202 AromaticContact CZ-CD1 3.92Å; F189-F202 HydrophobicContact CZ-CD1 3.92Å; F189-F202 HydrophobicContact CZ-CG 4.29Å; L192-F202 VanDerWaalsContact C-CZ 3.48Å; L192-F202 HydrophobicContact CB-CE1 3.7Å; L192-F202 HydrophobicContact CB-CZ 3.85Å; L192-F202 WeakPolarHBondContact O-CZ 3.42Å; S193-F202 VanDerWaalsContact CA-CD2 3.49Å; F196-F202 HydrophobicContact CB-CE2 3.93Å; F196-F202 HydrophobicContact CB-CZ 4.23Å; F196-F202 HydrophobicContact CD2-CZ 4.44Å; V200-F202 HydrophobicContact CB-CD2 4.12Å; V200-F202 HydrophobicContact CB-CE2 3.54Å; V200-F202 HydrophobicContact CB-CZ 4.23Å; V200-F202 HydrophobicContact CG1-CD2 3.84Å; V200-F202 HydrophobicContact CG1-CE2 3.45Å; V200-F202 VanDerWaalsContact CG1-CE2 3.45Å; V200-F202 HydrophobicContact CG1-CZ 3.83Å
203I96.6Very high92.5Very high0 Ų049.4 Ų49.40%025%0.25CC..EExtended strand (participates in β ladder)trans-129.7135.4-176.3-60.4174.3000110.5M143 L152 I153 T160 V161 K162 L163 F189 L201M143-I203 HydrophobicContact CG-CG2 3.16Å; M143-I203 HydrophobicContact SD-CG2 3.36Å; M143-I203 WeakPolarHBondContact SD-CG2 3.44Å; L152-I203 HydrophobicContact CD2-CD1 3.62Å; L152-I203 HydrophobicContact CD2-CG1 3.97Å; L152-I203 HydrophobicContact CG-CD1 4.24Å; I153-I203 HydrophobicContact CG1-CD1 4.17Å; T160-I203 HydrophobicContact CG2-CD1 3.43Å; T160-I203 VanDerWaalsContact CG2-CD1 3.43Å; T160-I203 HydrophobicContact CG2-CG1 4Å; V161-I203 PolarHBondContact O-N 2.92Å; K162-I203 CarbonylContact C-O 3.55Å; K162-I203 WeakPolarHBondContact CA-O 3.27Å; K162-I203 HydrophobicContact CB-CB 4.38Å; K162-I203 HydrophobicContact CG-CB 4.26Å; K162-I203 HydrophobicContact CG-CG2 4.16Å; L163-I203 PolarHBondContact N-O 3.48Å; F189-I203 WeakPolarHBondContact CE2-O 3.39Å; F189-I203 VanDerWaalsContact CZ-O 3.27Å; F189-I203 WeakPolarHBondContact CZ-O 3.21Å; L201-I203 HydrophobicContact CD2-CD1 4.14Å; L201-I203 HydrophobicContact CD2-CG1 4.46Å; L201-I203 HydrophobicContact CG-CD1 4.29Å; L201-I203 HydrophobicContact CG-CG1 4.11Å
204K96.3Very high92.5Very high33 Ų3349.2 Ų49.214%0.14325%0.249CC..EExtended strand (participates in β ladder)trans-101.7129.6168.7-74.1-177.1179-178.40110.1V140 P141 L142 M143 L163 Y165 F189 D190V140-K204 HydrophobicContact CG1-CB 4.49Å; V140-K204 HydrophobicContact CG1-CD 4.29Å; V140-K204 HydrophobicContact CG1-CG 3.93Å; P141-K204 PolarHBondContact O-N 2.91Å; L142-K204 CarbonylContact C-O 3.49Å; L142-K204 WeakPolarHBondContact CA-O 3.3Å; L142-K204 HydrophobicContact CD1-CB 3.73Å; M143-K204 PolarHBondContact N-O 2.83Å; L163-K204 WeakPolarHBondContact O-CA 3.44Å; Y165-K204 HydrophobicContact CE1-CB 4.2Å; Y165-K204 HydrophobicContact CE1-CD 4.08Å; Y165-K204 HydrophobicContact CE1-CG 4.17Å; F189-K204 HydrophobicContact CD1-CD 4.47Å; F189-K204 VanDerWaalsContact CD1-CE 3.41Å; F189-K204 HydrophobicContact CD1-CG 4.19Å; F189-K204 HydrophobicContact CE1-CD 4.16Å; F189-K204 VanDerWaalsContact CE1-CE 3.47Å; F189-K204 HydrophobicContact CE1-CG 3.6Å; F189-K204 HydrophobicContact CZ-CG 3.89Å; D190-K204 WeakPolarHBondContact OD1-CE 3.44Å; D190-K204 IonicContact OD1-NZ 2.68Å; D190-K204 PolarHBondContact OD1-NZ 2.95Å; D190-K204 IonicContact OD2-NZ 2.72Å; D190-K204 PolarHBondContact OD2-NZ 3Å
205D94Very high92.6Very high4 Ų443.8 Ų43.82%0.02122%0.221CC..EExtended strand (participates in β ladder)trans-116.7117.8177.6179.3-3.5000109.6M143 K162 L163 L164 Y165 I207 G208M143-D205 HydrophobicContact CB-CB 4.43Å; M143-D205 HydrophobicContact CG-CB 4.49Å; K162-D205 HydrophobicContact CD-CB 3.96Å; K162-D205 HydrophobicContact CG-CB 4.09Å; K162-D205 IonicContact NZ-OD2 2.96Å; K162-D205 PolarHBondContact NZ-OD2 2.92Å; L163-D205 PolarHBondContact O-N 3Å; L164-D205 VanDerWaalsContact CA-O 3.28Å; L164-D205 WeakPolarHBondContact CA-O 3.47Å; L164-D205 HydrophobicContact CB-CB 4.17Å; L164-D205 HydrophobicContact CG-CB 4.4Å; Y165-D205 PolarHBondContact N-O 3.42Å; D205-I207 WeakPolarHBondContact OD1-CG1 3.45Å; D205-I207 PolarHBondContact OD1-N 2.88Å; D205-G208 PolarHBondContact OD1-N 3.43Å
206V86.8Confident92.7Very high53 Ų5334.8 Ų34.832%0.32119%0.187SC..  trans-1132.7-177.8-670000112.9L142 Y165L142-V206 HydrophobicContact CD1-CB 4.41Å; L142-V206 HydrophobicContact CD1-CG1 3.64Å; L142-V206 HydrophobicContact CD1-CG2 3.91Å; L142-V206 HydrophobicContact CD2-CG2 4.39Å; L142-V206 HydrophobicContact CG-CG2 4.14Å; Y165-V206 HydrophobicContact CE1-CG1 4.03Å; Y165-V206 HydrophobicContact CE2-CG1 4.19Å
207I83.2Confident92.7Very high83 Ų8335 Ų3543%0.42619%0.187SC..SBendtrans-108.1-15.4-174.858.6159.8000113.2S145 D205S145-I207 VanDerWaalsContact CA-CD1 3.42Å; D205-I207 WeakPolarHBondContact OD1-CG1 3.45Å; D205-I207 PolarHBondContact OD1-N 2.88Å
208G82.8Confident92.8Very high16 Ų1631.5 Ų31.517%0.16517%0.169CC..SBendtrans-65.5156.9-17800000114.3N166 D205 E210N166-G208 PolarHBondContact ND2-O 3.26Å; D205-G208 PolarHBondContact OD1-N 3.43Å; G208-E210 VanDerWaalsContact C-N 3.34Å
209D86.3Confident92.7Very high132 Ų13235.3 Ų35.371%0.70618%0.175SC*.SBendtrans-81.9-11.2-177-170.241000113.5N169N169-D209 PolarHBondContact ND2-O 3.23Å
210E89.8Confident92.5Very high88 Ų8831 Ų3141%0.41117%0.169SC..SBendtrans-77.6163.6172-66.9-172.4-176.200111.2L164 N166 G208 C213L164-E210 HydrophobicContact CD1-CB 4.15Å; L164-E210 HydrophobicContact CD2-CB 3.77Å; L164-E210 WeakPolarHBondContact CD2-O 3.49Å; N166-E210 WeakPolarHBondContact CB-O 3.46Å; G208-E210 VanDerWaalsContact C-N 3.34Å; E210-C213 WeakPolarHBondContact OE2-CB 3.33Å; E210-C213 PolarHBondContact OE2-SG 2.95Å
211I93Very high92.2Very high9 Ų940 Ų405%0.04620%0.202CC..SBendtrans-88.1-49.3179.3-76.3161.9000111.6Y165 N166 N169 K171 Y172 M182 T229 T240 V242Y165-I211 CarbonylContact C-O 3.52Å; Y165-I211 VanDerWaalsContact CA-O 3.3Å; Y165-I211 WeakPolarHBondContact CA-O 3.43Å; N166-I211 PolarHBondContact N-O 3.03Å; N169-I211 HydrophobicContact CB-CD1 4.43Å; N169-I211 HydrophobicContact CB-CG1 3.67Å; K171-I211 HydrophobicContact CB-CD1 4.12Å; Y172-I211 HydrophobicContact CD2-CG2 3.59Å; Y172-I211 HydrophobicContact CE2-CG2 4.08Å; M182-I211 HydrophobicContact CE-CG2 4.04Å; I211-T229 HydrophobicContact CB-CG2 3.85Å; I211-T229 HydrophobicContact CG2-CG2 4.02Å; I211-T240 VanDerWaalsContact CD1-CB 3.46Å; I211-T240 HydrophobicContact CD1-CG2 3.63Å; I211-V242 HydrophobicContact CG2-CG2 3.45Å; I211-V242 VanDerWaalsContact CG2-CG2 3.45Å
212C95.8Very high92.1Very high1 Ų141.5 Ų41.51%0.00721%0.208CC..EExtended strand (participates in β ladder)trans-154.7117.9-179.6-1690000109.4L164 M182 C228 T229 V242L164-C212 CarbonylContact O-C 3.53Å; L164-C212 VanDerWaalsContact O-CA 3.26Å; L164-C212 WeakPolarHBondContact O-CA 3.24Å; M182-C212 HydrophobicContact CE-CB 4.07Å; M182-C212 HydrophobicContact SD-CB 4.23Å; C212-C228 HydrophobicContact CB-CB 3.92Å; C212-C228 WeakPolarHBondContact O-CB 3.35Å; C212-C228 PolarHBondContact O-N 2.84Å; C212-T229 HydrophobicContact CB-CG2 4.43Å; C212-V242 HydrophobicContact CB-CG1 4.07Å; C212-V242 HydrophobicContact CB-CG2 4.34Å
213C96.4Very high91.9Very high1 Ų142.1 Ų42.11%0.00721%0.211CC..EExtended strand (participates in β ladder)trans-152.3133.2-175.9-174.90000111.2L164 E210L164-C213 HydrophobicContact CB-CB 4.43Å; L164-C213 PolarHBondContact N-O 3.41Å; L164-C213 PolarHBondContact O-N 2.95Å; E210-C213 WeakPolarHBondContact OE2-CB 3.33Å; E210-C213 PolarHBondContact OE2-SG 2.95Å
214W98Very high91.8Very high0 Ų042.1 Ų42.10%021%0.211CC..EExtended strand (participates in β ladder)trans-97.8131.9170.1-66.469.5000109.1V161 K162 L163 N185 L188 F189 L192 F216 E225 V226 I249V161-W214 HydrophobicContact CG1-CE3 3.63Å; V161-W214 HydrophobicContact CG1-CZ3 3.83Å; K162-W214 CarbonylContact O-C 3.57Å; K162-W214 WeakPolarHBondContact O-CA 3.4Å; L163-W214 HydrophobicContact CD1-CD2 4.13Å; L163-W214 HydrophobicContact CD1-CG 4.18Å; L163-W214 HydrophobicContact CD1-CZ2 4.36Å; L163-W214 HydrophobicContact CD2-CZ2 4.49Å; N185-W214 VanDerWaalsContact O-CZ2 3.3Å; N185-W214 WeakPolarHBondContact O-CZ2 3.42Å; N185-W214 PolarHBondContact OD1-NE1 3.48Å; L188-W214 HydrophobicContact CB-CH2 4.38Å; L188-W214 HydrophobicContact CB-CZ2 4.35Å; L188-W214 HydrophobicContact CD2-CH2 4.4Å; L188-W214 HydrophobicContact CD2-CZ2 4.31Å; L188-W214 HydrophobicContact CG-CH2 4.09Å; L188-W214 HydrophobicContact CG-CZ2 4.32Å; F189-W214 VanDerWaalsContact CA-CH2 3.41Å; F189-W214 HydrophobicContact CB-CH2 3.49Å; F189-W214 VanDerWaalsContact CB-CH2 3.49Å; F189-W214 HydrophobicContact CB-CZ2 3.97Å; F189-W214 HydrophobicContact CB-CZ3 4.14Å; F189-W214 HydrophobicContact CD2-CE3 4.35Å; F189-W214 AromaticContact CD2-CH2 3.99Å; F189-W214 HydrophobicContact CD2-CH2 3.99Å; F189-W214 AromaticContact CD2-CZ3 3.76Å; F189-W214 HydrophobicContact CD2-CZ3 3.76Å; F189-W214 HydrophobicContact CG-CH2 4.23Å; F189-W214 HydrophobicContact CG-CZ3 4.43Å; L192-W214 HydrophobicContact CD1-CH2 4Å; L192-W214 HydrophobicContact CD1-CZ3 3.95Å; W214-F216 HydrophobicContact CB-CE2 3.71Å; W214-F216 HydrophobicContact CB-CZ 3.88Å; W214-F216 HydrophobicContact CE3-CZ 4.34Å; W214-E225 CarbonylContact O-C 3.56Å; W214-E225 WeakPolarHBondContact O-CA 3.46Å; W214-V226 HydrophobicContact CB-CB 4.25Å; W214-V226 PolarHBondContact N-O 3.18Å; W214-V226 PolarHBondContact O-N 3.29Å; W214-I249 HydrophobicContact CD2-CD1 4.41Å; W214-I249 HydrophobicContact CD2-CG1 4.27Å; W214-I249 HydrophobicContact CD2-CG2 3.65Å; W214-I249 HydrophobicContact CE3-CG2 3.6Å; W214-I249 HydrophobicContact CG-CD1 4.45Å; W214-I249 HydrophobicContact CG-CG1 4.19Å; W214-I249 HydrophobicContact CG-CG2 4.34Å; W214-I249 HydrophobicContact CH2-CG2 3.63Å; W214-I249 HydrophobicContact CZ2-CD1 4.2Å; W214-I249 HydrophobicContact CZ2-CG2 3.74Å; W214-I249 HydrophobicContact CZ3-CG2 3.59Å
215S96.8Very high91.8Very high4 Ų441.2 Ų41.23%0.02821%0.207CC..EExtended strand (participates in β ladder)trans-125.1134.1178.8-69.70000109.8K162 K222K162-S215 PolarHBondContact N-O 3.3Å; K162-S215 PolarHBondContact O-N 3.49Å; S215-K222 WeakPolarHBondContact OG-CE 3.16Å; S215-K222 PolarHBondContact OG-NZ 3.18Å
216F97.1Very high91.9Very high0 Ų041 Ų410%021%0.207CC..EExtended strand (participates in β ladder)trans-118.8130.1-172.1-61-87.7000108.9V161 W214 I223 A224 V226 E252 I256V161-F216 HydrophobicContact CG1-CE1 4.2Å; V161-F216 HydrophobicContact CG2-CD1 4.08Å; V161-F216 HydrophobicContact CG2-CE1 4.22Å; W214-F216 HydrophobicContact CB-CE2 3.71Å; W214-F216 HydrophobicContact CB-CZ 3.88Å; W214-F216 HydrophobicContact CE3-CZ 4.34Å; F216-I223 HydrophobicContact CB-CG1 4.03Å; F216-I223 WeakPolarHBondContact O-CG1 3.05Å; F216-I223 PolarHBondContact O-N 3.01Å; F216-A224 HydrophobicContact CB-CB 4.13Å; F216-A224 HydrophobicContact CD2-CB 4.09Å; F216-A224 HydrophobicContact CG-CB 4.45Å; F216-A224 PolarHBondContact N-O 3.08Å; F216-A224 PolarHBondContact O-N 3.11Å; F216-V226 HydrophobicContact CE2-CB 4.39Å; F216-V226 HydrophobicContact CE2-CG2 3.81Å; F216-V226 HydrophobicContact CZ-CG2 4.49Å; F216-E252 HydrophobicContact CD1-CB 3.94Å; F216-E252 HydrophobicContact CD2-CB 3.87Å; F216-E252 HydrophobicContact CD2-CG 4.48Å; F216-E252 HydrophobicContact CE1-CB 3.68Å; F216-E252 HydrophobicContact CE2-CB 3.61Å; F216-E252 HydrophobicContact CE2-CG 4.28Å; F216-E252 HydrophobicContact CG-CB 4.04Å; F216-E252 HydrophobicContact CZ-CB 3.51Å; F216-I256 HydrophobicContact CB-CG2 3.65Å; F216-I256 HydrophobicContact CD1-CG2 3.9Å; F216-I256 HydrophobicContact CG-CG2 4.21Å
217Y94.9Very high92.3Very high20 Ų2039.1 Ų39.18%0.07820%0.195CC..EExtended strand (participates in β ladder)trans-128.5136.6-176.9-53-108.6000110.8E149 I153 P159 T160 K162 R221 K222E149-Y217 PolarHBondContact OE1-OH 3.37Å; I153-Y217 HydrophobicContact CD1-CD1 3.96Å; I153-Y217 HydrophobicContact CD1-CD2 4.18Å; I153-Y217 HydrophobicContact CD1-CE1 3.64Å; I153-Y217 HydrophobicContact CD1-CE2 3.91Å; I153-Y217 HydrophobicContact CD1-CG 4.23Å; I153-Y217 HydrophobicContact CG2-CD1 3.75Å; I153-Y217 HydrophobicContact CG2-CE1 4.35Å; I153-Y217 HydrophobicContact CG2-CG 4.1Å; P159-Y217 WeakPolarHBondContact CA-O 3.42Å; T160-Y217 HydrophobicContact CG2-CD2 4.46Å; T160-Y217 PolarHBondContact N-O 2.88Å; T160-Y217 PolarHBondContact O-N 3.04Å; K162-Y217 HydrophobicContact CB-CE2 4.07Å; Y217-R221 CarbonylContact C-O 3.53Å; Y217-R221 WeakPolarHBondContact CA-O 3.43Å; Y217-R221 WeakPolarHBondContact CB-O 3.22Å; Y217-K222 HydrophobicContact CD1-CB 3.8Å; Y217-K222 HydrophobicContact CD1-CG 4.19Å; Y217-K222 HydrophobicContact CE1-CB 3.69Å; Y217-K222 HydrophobicContact CE1-CD 4.37Å; Y217-K222 HydrophobicContact CE1-CG 3.87Å
218G91.8Very high92.9Very high3 Ų335.2 Ų35.23%0.03118%0.175CC..EExtended strand (participates in β ladder)trans-127.4137.3171.700000108.8G220 R221G218-G220 PolarHBondContact O-N 3.5Å; G218-R221 PolarHBondContact N-O 2.95Å; G218-R221 PolarHBondContact O-N 2.85Å; G218-R221 VanDerWaalsContact O-O 3.12Å
219Q88Confident93.4Very high125 Ų12536.4 Ų36.458%0.58418%0.18SC*.THydrogen-bonded Turntrans51.141.2-179.9-57.7175-3500113.7R221 Y259Q219-R221 PolarHBondContact O-N 2.89Å; Q219-Y259 HydrophobicContact CG-CD1 4.34Å
220G86.8Confident93.5Very high33 Ų3331.4 Ų31.434%0.3416%0.155SC..THydrogen-bonded Turntrans71.64.5-179.500000115.5G218G218-G220 PolarHBondContact O-N 3.5Å
221R89.5Confident93.2Very high196 Ų19631.7 Ų31.774%0.7416%0.158SC*.EExtended strand (participates in β ladder)trans-115.9145.3-179.8-63.6-179.8179.1179.9-1.2111.1Y217 G218 Q219 I223Y217-R221 CarbonylContact C-O 3.53Å; Y217-R221 WeakPolarHBondContact CA-O 3.43Å; Y217-R221 WeakPolarHBondContact CB-O 3.22Å; G218-R221 PolarHBondContact N-O 2.95Å; G218-R221 PolarHBondContact O-N 2.85Å; G218-R221 VanDerWaalsContact O-O 3.12Å; Q219-R221 PolarHBondContact O-N 2.89Å; R221-I223 PolarHBondContact O-N 3.46Å
222K92.9Very high92.4Very high63 Ų6333.6 Ų33.627%0.27417%0.17SC..EExtended strand (participates in β ladder)trans-71.6125.2174.9-161.1179.2-154.9-175.40109.2S215 Y217 E225 V295S215-K222 WeakPolarHBondContact OG-CE 3.16Å; S215-K222 PolarHBondContact OG-NZ 3.18Å; Y217-K222 HydrophobicContact CD1-CB 3.8Å; Y217-K222 HydrophobicContact CD1-CG 4.19Å; Y217-K222 HydrophobicContact CE1-CB 3.69Å; Y217-K222 HydrophobicContact CE1-CD 4.37Å; Y217-K222 HydrophobicContact CE1-CG 3.87Å; K222-E225 WeakPolarHBondContact CE-OE2 3.16Å; K222-E225 IonicContact NZ-OE2 2.74Å; K222-E225 PolarHBondContact NZ-OE2 2.8Å; K222-V295 HydrophobicContact CB-CG2 4.41Å; K222-V295 HydrophobicContact CD-CG1 4.25Å; K222-V295 HydrophobicContact CG-CG1 4.21Å
223I92.6Very high91.3Very high21 Ų2141 Ų4111%0.10820%0.199CC..EExtended strand (participates in β ladder)trans-108-32.8-178.964.3167.3000112.6F216 R221 I256 Y259 R296F216-I223 HydrophobicContact CB-CG1 4.03Å; F216-I223 WeakPolarHBondContact O-CG1 3.05Å; F216-I223 PolarHBondContact O-N 3.01Å; R221-I223 PolarHBondContact O-N 3.46Å; I223-I256 HydrophobicContact CD1-CG2 3.6Å; I223-I256 HydrophobicContact CG1-CG2 4.29Å; I223-Y259 HydrophobicContact CD1-CD2 3.89Å; I223-Y259 HydrophobicContact CD1-CE2 3.42Å; I223-Y259 VanDerWaalsContact CD1-CE2 3.42Å; I223-Y259 HydrophobicContact CG2-CE1 4.45Å; I223-R296 PolarHBondContact O-N 2.91Å
224A95.1Very high89.8Confident0 Ų043.2 Ų43.20%022%0.218CC..EExtended strand (participates in β ladder)trans-152159.7-178.800000111.4F216 E252 R296F216-A224 HydrophobicContact CB-CB 4.13Å; F216-A224 HydrophobicContact CD2-CB 4.09Å; F216-A224 HydrophobicContact CG-CB 4.45Å; F216-A224 PolarHBondContact N-O 3.08Å; F216-A224 PolarHBondContact O-N 3.11Å; A224-E252 HydrophobicContact CB-CG 4.4Å; A224-E252 WeakPolarHBondContact CB-OE2 3.47Å; A224-R296 CarbonylContact C-O 3.1Å; A224-R296 WeakPolarHBondContact CA-O 3.25Å; A224-R296 HydrophobicContact CB-CB 4.11Å
225E96.1Very high88.2Confident13 Ų1350.3 Ų50.36%0.06126%0.261CS..EExtended strand (participates in β ladder)trans-143.9143.1168.165.2-170.6-160.900110.9W214 K222 R296 R297 I298W214-E225 CarbonylContact O-C 3.56Å; W214-E225 WeakPolarHBondContact O-CA 3.46Å; K222-E225 WeakPolarHBondContact CE-OE2 3.16Å; K222-E225 IonicContact NZ-OE2 2.74Å; K222-E225 PolarHBondContact NZ-OE2 2.8Å; E225-R296 PolarHBondContact N-O 3.48Å; E225-R297 HydrophobicContact CG-CB 4.22Å; E225-R297 HydrophobicContact CG-CG 3.86Å; E225-R297 WeakPolarHBondContact OE1-CD 3.5Å; E225-R297 WeakPolarHBondContact OE1-CG 3.08Å; E225-R297 IonicContact OE1-CZ 3.26Å; E225-R297 IonicContact OE1-NE 3.23Å; E225-R297 PolarHBondContact OE1-NE 3.24Å; E225-I298 PolarHBondContact O-N 2.8Å
226V96.8Very high86.7Confident1 Ų158.5 Ų58.51%0.00630%0.299CS..EExtended strand (participates in β ladder)trans-116.7104.6174.1179.90000107.6W214 F216 C228 P245 R248 I249 E252 I298W214-V226 HydrophobicContact CB-CB 4.25Å; W214-V226 PolarHBondContact N-O 3.18Å; W214-V226 PolarHBondContact O-N 3.29Å; F216-V226 HydrophobicContact CE2-CB 4.39Å; F216-V226 HydrophobicContact CE2-CG2 3.81Å; F216-V226 HydrophobicContact CZ-CG2 4.49Å; V226-C228 PolarHBondContact O-N 2.97Å; V226-P245 HydrophobicContact CG1-CB 4.38Å; V226-P245 HydrophobicContact CG1-CG 3.51Å; V226-R248 HydrophobicContact CG2-CB 4.49Å; V226-I249 HydrophobicContact CG1-CG1 4.12Å; V226-E252 HydrophobicContact CG2-CG 4.21Å; V226-I298 HydrophobicContact CG2-CB 4.08Å; V226-I298 HydrophobicContact CG2-CD1 3.87Å; V226-I298 HydrophobicContact CG2-CG2 4.47Å
227C94.7Very high85.3Confident13 Ų1366.3 Ų66.39%0.08833%0.333CS..EExtended strand (participates in β ladder)trans-76.5113.1177.2-61.90000108.9T229 I298C227-T229 PolarHBondContact O-N 3.01Å; C227-I298 PolarHBondContact N-O 3.27Å
228C95.1Very high84.6Confident0 Ų072.4 Ų72.40%036%0.359CS..  trans-92.437.7-175.8-65.10000111.5C212 V226 V242 E243C212-C228 HydrophobicContact CB-CB 3.92Å; C212-C228 WeakPolarHBondContact O-CB 3.35Å; C212-C228 PolarHBondContact O-N 2.84Å; V226-C228 PolarHBondContact O-N 2.97Å; C228-V242 WeakPolarHBondContact O-CA 3.36Å; C228-E243 WeakPolarHBondContact CB-O 3.4Å; C228-E243 PolarHBondContact O-N 3.01Å
229T93Very high84Confident42 Ų4276 Ų7626%0.25838%0.376SS..EExtended strand (participates in β ladder)trans-136.4146.7-176.156.40000112.2I211 C212 C227 T240 K241I211-T229 HydrophobicContact CB-CG2 3.85Å; I211-T229 HydrophobicContact CG2-CG2 4.02Å; C212-T229 HydrophobicContact CB-CG2 4.43Å; C227-T229 PolarHBondContact O-N 3.01Å; T229-T240 HydrophobicContact CG2-CG2 3.8Å; T229-K241 CarbonylContact C-O 3.59Å; T229-K241 VanDerWaalsContact CA-O 3.24Å; T229-K241 WeakPolarHBondContact CA-O 3.44Å
230S89.3Confident84Confident27 Ų2771 Ų7119%0.18935%0.354CS..EExtended strand (participates in β ladder)trans-129.3135.1173.168.80000109.9T240 K241 E243S230-T240 WeakPolarHBondContact O-CA 3.37Å; S230-K241 PolarHBondContact N-O 2.82Å; S230-K241 PolarHBondContact O-N 3.02Å; S230-E243 WeakPolarHBondContact CB-OE1 3.45Å; S230-E243 PolarHBondContact OG-OE1 2.85Å
231I83.9Confident84.3Confident93 Ų9372.8 Ų72.848%0.47735%0.352SS..EExtended strand (participates in β ladder)trans-87.9121.8178.4-58.1174.5000108.8Y233I231-Y233 HydrophobicContact CG2-CE2 4.36Å
232V75.3Confident84.6Confident50 Ų5063.5 Ų63.530%0.30332%0.317SS..EExtended strand (participates in β ladder)trans-114.2133.2175.1-174.70000109.4A234 Q239 K241V232-A234 PolarHBondContact O-N 3.28Å; V232-Q239 PolarHBondContact N-O 3.17Å; V232-Q239 PolarHBondContact O-N 2.93Å; V232-Q239 VanDerWaalsContact O-O 3.1Å; V232-K241 HydrophobicContact CG2-CD 3.66Å; V232-K241 HydrophobicContact CG2-CG 3.9Å
233Y74Confident84.7Confident157 Ų15762.8 Ų62.862%0.61632%0.315SS*.EExtended strand (participates in β ladder)trans-89.4104.7174.9-64.3-100.3000107.7I231 K238I231-Y233 HydrophobicContact CG2-CE2 4.36Å; Y233-K238 HydrophobicContact CD1-CG 4.12Å; Y233-K238 HydrophobicContact CE1-CD 4.15Å; Y233-K238 HydrophobicContact CE1-CG 4.17Å
234A64.1Low84.9Confident47 Ų4763.9 Ų63.939%0.38832%0.319SS..  trans-86.4161.5165.200000109.3V232 E236 K237V232-A234 PolarHBondContact O-N 3.28Å; A234-E236 PolarHBondContact O-N 2.94Å; A234-K237 WeakPolarHBondContact CB-O 3.36Å; A234-K237 PolarHBondContact N-O 3.3Å
235T65.1Low85Confident148 Ų14865 Ų6591%0.90833%0.326SS*.SBendtrans-55.3-23.4-176.743.80000114.2
236E63.9Low84.9Confident177 Ų17768.9 Ų68.983%0.82734%0.344SS*.SBendtrans-116.8-29.5-173.9-62.9-179.9-173.600114.4A234A234-E236 PolarHBondContact O-N 2.94Å
237K69.4Low84.9Confident164 Ų16472.5 Ų72.571%0.71337%0.374SS*.SBendtrans-153.3152.9-179.9-67.9-173.2-178172.40112.4A234 Q239A234-K237 WeakPolarHBondContact CB-O 3.36Å; A234-K237 PolarHBondContact N-O 3.3Å; K237-Q239 PolarHBondContact O-N 3.46Å
238K78.5Confident84.9Confident147 Ų14777.8 Ų77.864%0.63939%0.392SS*.EExtended strand (participates in β ladder)trans-68.8123.3165.2-62-176-173.3-176.40108.6Y233Y233-K238 HydrophobicContact CD1-CG 4.12Å; Y233-K238 HydrophobicContact CE1-CD 4.15Å; Y233-K238 HydrophobicContact CE1-CG 4.17Å
239Q79.8Confident85Confident80 Ų8077.8 Ų77.837%0.37439%0.392SS..EExtended strand (participates in β ladder)trans-117.2148.2175.4-65.5-169.8-1.500110S173 V232 K237S173-Q239 PolarHBondContact OG-OE1 3.33Å; V232-Q239 PolarHBondContact N-O 3.17Å; V232-Q239 PolarHBondContact O-N 2.93Å; V232-Q239 VanDerWaalsContact O-O 3.1Å; K237-Q239 PolarHBondContact O-N 3.46Å
240T88.6Confident85.1Confident19 Ų1979.2 Ų79.212%0.11739%0.393CS..EExtended strand (participates in β ladder)trans-109.6112.9178-50.50000109K171 S173 I211 T229 S230K171-T240 WeakPolarHBondContact O-CB 3.27Å; K171-T240 PolarHBondContact O-N 2.92Å; K171-T240 PolarHBondContact O-OG1 3.46Å; S173-T240 VanDerWaalsContact CB-O 3.25Å; S173-T240 WeakPolarHBondContact CB-O 3.41Å; S173-T240 PolarHBondContact N-O 3.06Å; I211-T240 VanDerWaalsContact CD1-CB 3.46Å; I211-T240 HydrophobicContact CD1-CG2 3.63Å; T229-T240 HydrophobicContact CG2-CG2 3.8Å; S230-T240 WeakPolarHBondContact O-CA 3.37Å
241K92.4Very high85.4Confident71 Ų7181.6 Ų81.631%0.30940%0.401SS..EExtended strand (participates in β ladder)trans-83.9149.7174.2-65.6-172.6-178178.10109.7T229 S230 V232T229-K241 CarbonylContact C-O 3.59Å; T229-K241 VanDerWaalsContact CA-O 3.24Å; T229-K241 WeakPolarHBondContact CA-O 3.44Å; S230-K241 PolarHBondContact N-O 2.82Å; S230-K241 PolarHBondContact O-N 3.02Å; V232-K241 HydrophobicContact CG2-CD 3.66Å; V232-K241 HydrophobicContact CG2-CG 3.9Å
242V95.1Very high85.9Confident0 Ų077.4 Ų77.40%038%0.38CS..EExtended strand (participates in β ladder)trans-93.8134.1172.8176.80000109.6Y172 S178 N181 M182 I211 C212 C228Y172-V242 HydrophobicContact CD2-CG2 4.13Å; Y172-V242 HydrophobicContact CE2-CG2 3.55Å; S178-V242 PolarHBondContact OG-N 3.33Å; N181-V242 HydrophobicContact CB-CB 4.46Å; N181-V242 HydrophobicContact CB-CG1 4.04Å; N181-V242 WeakPolarHBondContact CB-O 3.42Å; N181-V242 PolarHBondContact ND2-O 3.21Å; M182-V242 HydrophobicContact CB-CG1 4.39Å; M182-V242 HydrophobicContact CE-CG2 4.01Å; I211-V242 HydrophobicContact CG2-CG2 3.45Å; I211-V242 VanDerWaalsContact CG2-CG2 3.45Å; C212-V242 HydrophobicContact CB-CG1 4.07Å; C212-V242 HydrophobicContact CB-CG2 4.34Å; C228-V242 WeakPolarHBondContact O-CA 3.36Å
243E95.9Very high86.9Confident49 Ų4975.1 Ų75.123%0.22937%0.365CS..  trans-110.7160.1178.4-59.4-62.5164.500109.7N185 C228 S230 V300N185-E243 PolarHBondContact ND2-O 2.95Å; C228-E243 WeakPolarHBondContact CB-O 3.4Å; C228-E243 PolarHBondContact O-N 3.01Å; S230-E243 WeakPolarHBondContact CB-OE1 3.45Å; S230-E243 PolarHBondContact OG-OE1 2.85Å; E243-V300 HydrophobicContact CB-CB 4.36Å; E243-V300 HydrophobicContact CB-CG1 4.27Å; E243-V300 HydrophobicContact CB-CG2 3.78Å; E243-V300 HydrophobicContact CG-CB 4.24Å; E243-V300 HydrophobicContact CG-CG1 4.1Å; E243-V300 HydrophobicContact CG-CG2 4.17Å
244F96.8Very high87.9Confident44 Ų4472 Ų7219%0.19336%0.359CS..  trans-126.480.2176.2179.2-121.9000110.7N181 K184 L188 E246 I249N181-F244 HydrophobicContact CB-CB 4.1Å; K184-F244 HydrophobicContact CB-CB 4.45Å; K184-F244 HydrophobicContact CB-CD1 3.79Å; K184-F244 HydrophobicContact CB-CD2 3.81Å; K184-F244 HydrophobicContact CB-CE1 3.87Å; K184-F244 HydrophobicContact CB-CE2 3.91Å; K184-F244 HydrophobicContact CB-CG 3.75Å; K184-F244 HydrophobicContact CB-CZ 3.93Å; K184-F244 HydrophobicContact CD-CD1 3.72Å; K184-F244 HydrophobicContact CD-CE1 4.12Å; K184-F244 HydrophobicContact CD-CG 4.23Å; K184-F244 HydrophobicContact CG-CD1 4.33Å; K184-F244 HydrophobicContact CG-CE1 4.4Å; K184-F244 WeakPolarHBondContact O-CE2 3.39Å; L188-F244 HydrophobicContact CB-CE2 3.99Å; L188-F244 HydrophobicContact CB-CZ 4.2Å; L188-F244 HydrophobicContact CD2-CE2 3.63Å; L188-F244 HydrophobicContact CD2-CZ 3.87Å; L188-F244 HydrophobicContact CG-CE2 4.45Å; F244-E246 HydrophobicContact CD1-CB 4.08Å; F244-E246 HydrophobicContact CE1-CB 3.55Å; F244-E246 HydrophobicContact CE1-CG 3.91Å; F244-E246 HydrophobicContact CE2-CB 4.28Å; F244-E246 HydrophobicContact CZ-CB 3.66Å; F244-E246 HydrophobicContact CZ-CG 3.76Å; F244-E246 PolarHBondContact O-N 2.9Å; F244-I249 HydrophobicContact CD2-CD1 4.39Å; F244-I249 HydrophobicContact CE2-CD1 4.4Å
245P96.3Very high89.2Confident22 Ų2271.8 Ų71.814%0.14335%0.351CS..  trans-78.962.7178.534-36.3000111.9V226 A247 R248 I249 V300V226-P245 HydrophobicContact CG1-CB 4.38Å; V226-P245 HydrophobicContact CG1-CG 3.51Å; P245-A247 PolarHBondContact O-N 3.33Å; P245-R248 HydrophobicContact CB-CB 4.36Å; P245-R248 PolarHBondContact O-N 3.42Å; P245-I249 HydrophobicContact CG-CD1 4.19Å; P245-I249 HydrophobicContact CG-CG1 4.38Å; P245-I249 PolarHBondContact O-N 2.85Å; P245-I249 VanDerWaalsContact O-N 3.11Å; P245-V300 HydrophobicContact CB-CG2 3.96Å; P245-V300 HydrophobicContact CG-CG2 3.89Å
246E96Very high90.5Very high96 Ų9664.7 Ų64.745%0.44931%0.308SS..Hα-helixtrans-45.7-52.5-173.6-176172.1-165.600113.7L188 F244 R248 I249 Y250L188-E246 HydrophobicContact CD2-CG 4.3Å; F244-E246 HydrophobicContact CD1-CB 4.08Å; F244-E246 HydrophobicContact CE1-CB 3.55Å; F244-E246 HydrophobicContact CE1-CG 3.91Å; F244-E246 HydrophobicContact CE2-CB 4.28Å; F244-E246 HydrophobicContact CZ-CB 3.66Å; F244-E246 HydrophobicContact CZ-CG 3.76Å; F244-E246 PolarHBondContact O-N 2.9Å; E246-R248 VanDerWaalsContact C-N 3.29Å; E246-R248 PolarHBondContact O-N 3.02Å; E246-I249 PolarHBondContact O-N 2.8Å; E246-Y250 HydrophobicContact CG-CD2 3.72Å; E246-Y250 HydrophobicContact CG-CE2 3.76Å; E246-Y250 WeakPolarHBondContact O-CD2 3.28Å; E246-Y250 PolarHBondContact O-N 3.07Å
247A95.2Very high91.7Very high76 Ų7657.8 Ų57.863%0.62828%0.276SS*.Hα-helixtrans-60-38.1-17700000112.8P245 E251P245-A247 PolarHBondContact O-N 3.33Å; A247-E251 VanDerWaalsContact O-CB 3.32Å; A247-E251 WeakPolarHBondContact O-CB 3.44Å; A247-E251 PolarHBondContact O-N 2.84Å
248R95Very high92.6Very high125 Ų12552.2 Ų52.247%0.47225%0.254SS..Hα-helixtrans-73-38179.1-65.3-58.9-173-178.10.5112V226 P245 E246 E251 E252 I298V226-R248 HydrophobicContact CG2-CB 4.49Å; P245-R248 HydrophobicContact CB-CB 4.36Å; P245-R248 PolarHBondContact O-N 3.42Å; E246-R248 VanDerWaalsContact C-N 3.29Å; E246-R248 PolarHBondContact O-N 3.02Å; R248-E251 WeakPolarHBondContact CD-OE2 3.34Å; R248-E251 IonicContact CZ-OE2 3.2Å; R248-E251 IonicContact NH1-OE1 3.86Å; R248-E251 IonicContact NH1-OE2 2.81Å; R248-E251 PolarHBondContact NH1-OE2 3.28Å; R248-E251 PolarHBondContact O-N 2.77Å; R248-E252 WeakPolarHBondContact O-CG 3.3Å; R248-E252 PolarHBondContact O-N 3.04Å; R248-I298 HydrophobicContact CB-CG2 4.28Å; R248-I298 HydrophobicContact CG-CG2 4.11Å
249I97.3Very high93Very high0 Ų047.9 Ų47.90%023%0.234CC..Hα-helixtrans-61.7-48.5174.9-64.3161.5000109.4N185 L188 L192 W214 V226 F244 P245 E246 E252 T253N185-I249 WeakPolarHBondContact OD1-CD1 3.26Å; L188-I249 HydrophobicContact CD2-CB 4Å; L188-I249 HydrophobicContact CD2-CD1 4.1Å; L188-I249 HydrophobicContact CD2-CG2 3.68Å; L188-I249 HydrophobicContact CG-CG2 4.45Å; L192-I249 HydrophobicContact CD1-CG2 4.3Å; W214-I249 HydrophobicContact CD2-CD1 4.41Å; W214-I249 HydrophobicContact CD2-CG1 4.27Å; W214-I249 HydrophobicContact CD2-CG2 3.65Å; W214-I249 HydrophobicContact CE3-CG2 3.6Å; W214-I249 HydrophobicContact CG-CD1 4.45Å; W214-I249 HydrophobicContact CG-CG1 4.19Å; W214-I249 HydrophobicContact CG-CG2 4.34Å; W214-I249 HydrophobicContact CH2-CG2 3.63Å; W214-I249 HydrophobicContact CZ2-CD1 4.2Å; W214-I249 HydrophobicContact CZ2-CG2 3.74Å; W214-I249 HydrophobicContact CZ3-CG2 3.59Å; V226-I249 HydrophobicContact CG1-CG1 4.12Å; F244-I249 HydrophobicContact CD2-CD1 4.39Å; F244-I249 HydrophobicContact CE2-CD1 4.4Å; P245-I249 HydrophobicContact CG-CD1 4.19Å; P245-I249 HydrophobicContact CG-CG1 4.38Å; P245-I249 PolarHBondContact O-N 2.85Å; P245-I249 VanDerWaalsContact O-N 3.11Å; E246-I249 PolarHBondContact O-N 2.8Å; I249-E252 PolarHBondContact O-N 3.44Å; I249-T253 PolarHBondContact O-N 2.89Å; I249-T253 PolarHBondContact O-OG1 3.38Å
250Y96Very high93.2Very high72 Ų7246.3 Ų46.328%0.28223%0.227SC..Hα-helixtrans-59.5-47.6176.9-92.4-68.4000113L188 L192 E246 E252 T253 L254L188-Y250 HydrophobicContact CD1-CD2 4.16Å; L188-Y250 HydrophobicContact CD1-CE1 4.12Å; L188-Y250 HydrophobicContact CD1-CE2 3.37Å; L188-Y250 VanDerWaalsContact CD1-OH 3.27Å; L188-Y250 WeakPolarHBondContact CD1-OH 3.48Å; L188-Y250 HydrophobicContact CD2-CD2 4.47Å; L188-Y250 HydrophobicContact CD2-CE2 4.34Å; L192-Y250 HydrophobicContact CD2-CD1 3.92Å; L192-Y250 HydrophobicContact CD2-CE1 3.54Å; L192-Y250 HydrophobicContact CG-CE1 4.44Å; E246-Y250 HydrophobicContact CG-CD2 3.72Å; E246-Y250 HydrophobicContact CG-CE2 3.76Å; E246-Y250 WeakPolarHBondContact O-CD2 3.28Å; E246-Y250 PolarHBondContact O-N 3.07Å; Y250-E252 PolarHBondContact O-N 3Å; Y250-T253 PolarHBondContact O-N 3.24Å; Y250-L254 WeakPolarHBondContact O-CG 3.03Å; Y250-L254 PolarHBondContact O-N 3.47Å
251E94.8Very high92.2Very high77 Ų7748.1 Ų48.136%0.3624%0.241SC..Hα-helixtrans-55.7-49.6178.2-178179.5-164.700111.1A247 R248 T253 L254 N255A247-E251 VanDerWaalsContact O-CB 3.32Å; A247-E251 WeakPolarHBondContact O-CB 3.44Å; A247-E251 PolarHBondContact O-N 2.84Å; R248-E251 WeakPolarHBondContact CD-OE2 3.34Å; R248-E251 IonicContact CZ-OE2 3.2Å; R248-E251 IonicContact NH1-OE1 3.86Å; R248-E251 IonicContact NH1-OE2 2.81Å; R248-E251 PolarHBondContact NH1-OE2 3.28Å; R248-E251 PolarHBondContact O-N 2.77Å; E251-T253 PolarHBondContact O-N 3.06Å; E251-L254 PolarHBondContact O-N 3.23Å; E251-N255 PolarHBondContact O-N 3.27Å; E251-N255 PolarHBondContact O-ND2 2.76Å
252E95.3Very high90.7Very high5 Ų551.5 Ų51.52%0.02326%0.257CS..Hα-helixtrans-69.4-33.9179.3-68.4-55.3143.900113.3F216 A224 V226 R248 I249 Y250 L254 N255 I256 R296 I298F216-E252 HydrophobicContact CD1-CB 3.94Å; F216-E252 HydrophobicContact CD2-CB 3.87Å; F216-E252 HydrophobicContact CD2-CG 4.48Å; F216-E252 HydrophobicContact CE1-CB 3.68Å; F216-E252 HydrophobicContact CE2-CB 3.61Å; F216-E252 HydrophobicContact CE2-CG 4.28Å; F216-E252 HydrophobicContact CG-CB 4.04Å; F216-E252 HydrophobicContact CZ-CB 3.51Å; A224-E252 HydrophobicContact CB-CG 4.4Å; A224-E252 WeakPolarHBondContact CB-OE2 3.47Å; V226-E252 HydrophobicContact CG2-CG 4.21Å; R248-E252 WeakPolarHBondContact O-CG 3.3Å; R248-E252 PolarHBondContact O-N 3.04Å; I249-E252 PolarHBondContact O-N 3.44Å; Y250-E252 PolarHBondContact O-N 3Å; E252-L254 VanDerWaalsContact C-N 3.29Å; E252-L254 PolarHBondContact O-N 3.37Å; E252-N255 PolarHBondContact O-N 3.08Å; E252-N255 PolarHBondContact OE1-ND2 3.3Å; E252-I256 PolarHBondContact O-N 2.72Å; E252-I256 VanDerWaalsContact O-N 3.1Å; E252-R296 IonicContact OE1-CZ 2.7Å; E252-R296 IonicContact OE1-NH1 3.39Å; E252-R296 PolarHBondContact OE1-NH1 3.22Å; E252-R296 IonicContact OE1-NH2 3.26Å; E252-R296 IonicContact OE2-CZ 2.92Å; E252-R296 VanDerWaalsContact OE2-CZ 3.29Å; E252-R296 IonicContact OE2-NH1 2.77Å; E252-R296 PolarHBondContact OE2-NH1 2.7Å; E252-R296 IonicContact OE2-NH2 3.04Å; E252-R296 PolarHBondContact OE2-NH2 3.37Å; E252-I298 HydrophobicContact CG-CD1 3.62Å
253T95.6Very high88.8Confident1 Ų158.4 Ų58.41%0.00629%0.294CS..Hα-helixtrans-62.8-35.7171.4-59.30000112V161 L192 F196 I249 Y250 E251 I256V161-T253 HydrophobicContact CG2-CG2 4.49Å; L192-T253 HydrophobicContact CD1-CG2 4.26Å; L192-T253 HydrophobicContact CD2-CG2 4.13Å; F196-T253 HydrophobicContact CD2-CG2 4.12Å; F196-T253 HydrophobicContact CE2-CG2 4.02Å; I249-T253 PolarHBondContact O-N 2.89Å; I249-T253 PolarHBondContact O-OG1 3.38Å; Y250-T253 PolarHBondContact O-N 3.24Å; E251-T253 PolarHBondContact O-N 3.06Å; T253-I256 WeakPolarHBondContact O-CG1 3.35Å
254L93.8Very high86.9Confident92 Ų9259.8 Ų59.848%0.48232%0.321SS..Hα-helixtrans-73.6-39.1175.1-67175.8000111.5F196 Y250 E251 E252 I256 L257F196-L254 HydrophobicContact CZ-CD2 3.92Å; Y250-L254 WeakPolarHBondContact O-CG 3.03Å; Y250-L254 PolarHBondContact O-N 3.47Å; E251-L254 PolarHBondContact O-N 3.23Å; E252-L254 VanDerWaalsContact C-N 3.29Å; E252-L254 PolarHBondContact O-N 3.37Å; L254-I256 VanDerWaalsContact C-N 3.32Å; L254-I256 PolarHBondContact O-N 3.21Å; L254-L257 HydrophobicContact CD2-CD1 4.06Å; L254-L257 VanDerWaalsContact O-CB 3.3Å; L254-L257 WeakPolarHBondContact O-CB 3.35Å; L254-L257 WeakPolarHBondContact O-CG 3.45Å; L254-L257 PolarHBondContact O-N 2.87Å; L254-L257 VanDerWaalsContact O-N 3.11Å
255N92.3Very high85Confident42 Ų4267.6 Ų67.623%0.22535%0.349CS..Hα-helixtrans-62.5-35.6179.6-71.2-24000112.8E251 E252 L257 L258E251-N255 PolarHBondContact O-N 3.27Å; E251-N255 PolarHBondContact O-ND2 2.76Å; E252-N255 PolarHBondContact O-N 3.08Å; E252-N255 PolarHBondContact OE1-ND2 3.3Å; N255-L257 PolarHBondContact O-N 2.68Å; N255-L258 WeakPolarHBondContact O-CB 3.24Å; N255-L258 WeakPolarHBondContact O-CG 3.48Å; N255-L258 PolarHBondContact O-N 2.74Å
256I91.6Very high83.3Confident0 Ų069.1 Ų69.10%037%0.37CS..G310 helixtrans-65.6-20.1177.457.6154.7000113.5P159 V161 V200 F216 I223 E252 T253 L254 L258 Y259P159-I256 HydrophobicContact CB-CB 4.1Å; P159-I256 HydrophobicContact CB-CD1 4.17Å; P159-I256 WeakPolarHBondContact CB-O 3.2Å; V161-I256 HydrophobicContact CG2-CD1 3.26Å; V161-I256 HydrophobicContact CG2-CG1 4.44Å; V200-I256 HydrophobicContact CG1-CD1 3.65Å; V200-I256 HydrophobicContact CG2-CD1 3.99Å; F216-I256 HydrophobicContact CB-CG2 3.65Å; F216-I256 HydrophobicContact CD1-CG2 3.9Å; F216-I256 HydrophobicContact CG-CG2 4.21Å; I223-I256 HydrophobicContact CD1-CG2 3.6Å; I223-I256 HydrophobicContact CG1-CG2 4.29Å; E252-I256 PolarHBondContact O-N 2.72Å; E252-I256 VanDerWaalsContact O-N 3.1Å; T253-I256 WeakPolarHBondContact O-CG1 3.35Å; L254-I256 VanDerWaalsContact C-N 3.32Å; L254-I256 PolarHBondContact O-N 3.21Å; I256-L258 PolarHBondContact O-N 3.02Å; I256-Y259 WeakPolarHBondContact O-CB 3.48Å; I256-Y259 PolarHBondContact O-N 3.3Å
257L90.9Very high81.8Confident31 Ų3165.3 Ų65.316%0.16235%0.353CS..G310 helixtrans-65.9-20.7178.3-56177.2000111.5F196 V200 L254 N255 Y259 E260F196-L257 HydrophobicContact CD1-CD1 4.26Å; F196-L257 HydrophobicContact CD1-CD2 4.2Å; F196-L257 HydrophobicContact CE1-CD1 3.77Å; F196-L257 HydrophobicContact CZ-CD1 4.4Å; V200-L257 HydrophobicContact CG2-CD2 3.44Å; V200-L257 VanDerWaalsContact CG2-CD2 3.44Å; L254-L257 HydrophobicContact CD2-CD1 4.06Å; L254-L257 VanDerWaalsContact O-CB 3.3Å; L254-L257 WeakPolarHBondContact O-CB 3.35Å; L254-L257 WeakPolarHBondContact O-CG 3.45Å; L254-L257 PolarHBondContact O-N 2.87Å; L254-L257 VanDerWaalsContact O-N 3.11Å; N255-L257 PolarHBondContact O-N 2.68Å; L257-Y259 PolarHBondContact O-N 2.92Å; L257-E260 VanDerWaalsContact CD2-OE1 3.27Å; L257-E260 WeakPolarHBondContact CD2-OE1 3.44Å; L257-E260 WeakPolarHBondContact O-CB 3.33Å; L257-E260 WeakPolarHBondContact O-CG 3.13Å; L257-E260 PolarHBondContact O-N 3.16Å
258L88.3Confident80.5Confident48 Ų4866 Ų6625%0.25135%0.346SS..G310 helixtrans-62.4-20.3171.3-59.6173000112.6N255 I256 P267 L272 T275N255-L258 WeakPolarHBondContact O-CB 3.24Å; N255-L258 WeakPolarHBondContact O-CG 3.48Å; N255-L258 PolarHBondContact O-N 2.74Å; I256-L258 PolarHBondContact O-N 3.02Å; L258-P267 WeakPolarHBondContact O-CB 2.98Å; L258-L272 HydrophobicContact CB-CD2 3.94Å; L258-L272 HydrophobicContact CD1-CD2 4.44Å; L258-T275 HydrophobicContact CD1-CG2 3.99Å; L258-T275 WeakPolarHBondContact CD1-OG1 3.46Å
259Y86.3Confident79.3Confident55 Ų5565.5 Ų65.522%0.21635%0.353CS..G310 helixtrans-97.111.5-180-60.2-93.7000113.1Q219 I223 I256 L257 L272Q219-Y259 HydrophobicContact CG-CD1 4.34Å; I223-Y259 HydrophobicContact CD1-CD2 3.89Å; I223-Y259 HydrophobicContact CD1-CE2 3.42Å; I223-Y259 VanDerWaalsContact CD1-CE2 3.42Å; I223-Y259 HydrophobicContact CG2-CE1 4.45Å; I256-Y259 WeakPolarHBondContact O-CB 3.48Å; I256-Y259 PolarHBondContact O-N 3.3Å; L257-Y259 PolarHBondContact O-N 2.92Å; Y259-L272 HydrophobicContact CE1-CD2 4.2Å; Y259-L272 HydrophobicContact CE2-CD2 4.31Å
260E82.8Confident77.8Confident47 Ų4768.5 Ų68.522%0.2238%0.377CS..  trans-65134170.8-72.9-179.4176.700110.9P159 R199 L257 H262P159-E260 HydrophobicContact CG-CG 3.83Å; R199-E260 WeakPolarHBondContact CB-OE1 3.35Å; R199-E260 IonicContact CZ-OE1 3.42Å; R199-E260 VanDerWaalsContact CZ-OE1 3.26Å; R199-E260 IonicContact CZ-OE2 2.72Å; R199-E260 IonicContact NE-OE1 2.8Å; R199-E260 PolarHBondContact NE-OE1 2.9Å; R199-E260 IonicContact NE-OE2 3.81Å; R199-E260 PolarHBondContact NE-OE2 2.96Å; R199-E260 IonicContact NH2-OE1 2.69Å; R199-E260 PolarHBondContact NH2-OE1 2.82Å; R199-E260 IonicContact NH2-OE2 2.99Å; R199-E260 PolarHBondContact NH2-OE2 2.85Å; L257-E260 VanDerWaalsContact CD2-OE1 3.27Å; L257-E260 WeakPolarHBondContact CD2-OE1 3.44Å; L257-E260 WeakPolarHBondContact O-CB 3.33Å; L257-E260 WeakPolarHBondContact O-CG 3.13Å; L257-E260 PolarHBondContact O-N 3.16Å; E260-H262 PolarHBondContact O-N 2.89Å
261S69.1Low76.4Confident58 Ų5869.6 Ų69.641%0.40639%0.388SS..  trans-87.699.4174.742.40000109.3N157N157-S261 PolarHBondContact O-OG 3.32Å
262H60.5Low75.4Confident141 Ų14168 Ų6865%0.65338%0.381SS*.BIsolated β-bridgetrans-83.9118.3172.8-147.3-46000108.7E260 G264 R265E260-H262 PolarHBondContact O-N 2.89Å; H262-G264 VanDerWaalsContact C-N 3.27Å; H262-G264 PolarHBondContact O-N 3.21Å; H262-G264 VanDerWaalsContact O-N 3.11Å; H262-R265 PolarHBondContact O-N 3.25Å
263D56.1Low74.1Confident146 Ų14675 Ų7578%0.78141%0.414SS*.THydrogen-bonded Turntrans53.533.7172.2-54.5-41.2000116.2R265D263-R265 PolarHBondContact O-N 3.32Å
264G54.3Low72.5Confident77 Ų7778.9 Ų78.979%0.79445%0.446SS*.THydrogen-bonded Turntrans74.23.4179.900000114.5H262H262-G264 VanDerWaalsContact C-N 3.27Å; H262-G264 PolarHBondContact O-N 3.21Å; H262-G264 VanDerWaalsContact O-N 3.11Å
265R57.5Low71Confident208 Ų20877.6 Ų77.679%0.78544%0.442SS*.BIsolated β-bridgetrans-84136.4162-73.1-177.3-179.2-175.30.7108.6H262 D263H262-R265 PolarHBondContact O-N 3.25Å; D263-R265 PolarHBondContact O-N 3.32Å
266G60.7Low69.2Low55 Ų5576.6 Ų76.657%0.56744%0.442SS*.PPolyproline II helixtrans-60.8173.6171.600000111.7
267P63.7Low67.1Low16 Ų1680.5 Ų80.510%0.10448%0.482CS..PPolyproline II helixtrans-57.3146.617828.4-36.3000111.2L258 N269 L272L258-P267 WeakPolarHBondContact O-CB 2.98Å; P267-N269 PolarHBondContact O-N 3.2Å; P267-N269 VanDerWaalsContact O-N 3.13Å; P267-L272 HydrophobicContact CB-CD1 3.93Å; P267-L272 HydrophobicContact CB-CG 4.46Å; P267-L272 HydrophobicContact CG-CD1 3.89Å
268D69.3Low65.1Low90 Ų9083.6 Ų83.648%0.48151%0.512SS..  trans-68.5110.2-179.4-175.4-10.4000110.3A270 L271 L272D268-A270 PolarHBondContact O-N 3.47Å; D268-A270 WeakPolarHBondContact OD1-CB 3.4Å; D268-A270 PolarHBondContact OD1-N 2.82Å; D268-L271 HydrophobicContact CB-CB 4.13Å; D268-L271 HydrophobicContact CB-CD1 3.91Å; D268-L271 HydrophobicContact CB-CG 4.04Å; D268-L271 PolarHBondContact O-N 3.18Å; D268-L271 VanDerWaalsContact O-N 3.09Å; D268-L272 WeakPolarHBondContact O-CG 3.15Å; D268-L272 PolarHBondContact O-N 3.12Å
269N69.4Low63.2Low115 Ų11584 Ų8462%0.61552%0.523SS*.Hα-helixtrans-57.4-32.7179.9-74.6-6.1000112.5P267 L272 E273P267-N269 PolarHBondContact O-N 3.2Å; P267-N269 VanDerWaalsContact O-N 3.13Å; N269-L272 PolarHBondContact O-N 2.64Å; N269-E273 WeakPolarHBondContact O-CB 3.02Å; N269-E273 WeakPolarHBondContact O-CG 3.34Å; N269-E273 PolarHBondContact O-N 2.86Å
270A66.5Low61.1Low62 Ų6284.8 Ų84.851%0.51255%0.547SS..Hα-helixtrans-70-35.8178.600000112D268 A274D268-A270 PolarHBondContact O-N 3.47Å; D268-A270 WeakPolarHBondContact OD1-CB 3.4Å; D268-A270 PolarHBondContact OD1-N 2.82Å; A270-A274 VanDerWaalsContact O-CB 3.29Å; A270-A274 WeakPolarHBondContact O-CB 3.34Å; A270-A274 PolarHBondContact O-N 2.86Å
271L65.9Low59.1Low95 Ų9594.4 Ų94.450%0.49758%0.582SS.*Hα-helixtrans-72.1-37.7174.5-69.1177.4000111.9D268 E273 A274 T275D268-L271 HydrophobicContact CB-CB 4.13Å; D268-L271 HydrophobicContact CB-CD1 3.91Å; D268-L271 HydrophobicContact CB-CG 4.04Å; D268-L271 PolarHBondContact O-N 3.18Å; D268-L271 VanDerWaalsContact O-N 3.09Å; L271-E273 VanDerWaalsContact C-N 3.33Å; L271-A274 PolarHBondContact O-N 2.56Å; L271-T275 PolarHBondContact O-N 3.28Å; L271-T275 VanDerWaalsContact O-N 3.09Å; L271-T275 PolarHBondContact O-OG1 3.05Å
272L73.4Confident57.4Low43 Ų4397.3 Ų97.323%0.22560%0.602CS.*Hα-helixtrans-62.3-41.1173.2-69.7175.3000111.4L258 Y259 P267 D268 N269 T275 G276L258-L272 HydrophobicContact CB-CD2 3.94Å; L258-L272 HydrophobicContact CD1-CD2 4.44Å; Y259-L272 HydrophobicContact CE1-CD2 4.2Å; Y259-L272 HydrophobicContact CE2-CD2 4.31Å; P267-L272 HydrophobicContact CB-CD1 3.93Å; P267-L272 HydrophobicContact CB-CG 4.46Å; P267-L272 HydrophobicContact CG-CD1 3.89Å; D268-L272 WeakPolarHBondContact O-CG 3.15Å; D268-L272 PolarHBondContact O-N 3.12Å; N269-L272 PolarHBondContact O-N 2.64Å; L272-T275 PolarHBondContact O-OG1 2.89Å; L272-G276 PolarHBondContact O-N 3.35Å
273E68.7Low56.4Low154 Ų15496.2 Ų96.272%0.7261%0.61SS**Hα-helixtrans-70.3-40.5175.8-75.4-178-176.600112.8N269 L271 T275 G276N269-E273 WeakPolarHBondContact O-CB 3.02Å; N269-E273 WeakPolarHBondContact O-CG 3.34Å; N269-E273 PolarHBondContact O-N 2.86Å; L271-E273 VanDerWaalsContact C-N 3.33Å; E273-T275 VanDerWaalsContact C-N 3.34Å; E273-T275 PolarHBondContact O-N 3.33Å; E273-G276 VanDerWaalsContact O-CA 3.31Å; E273-G276 WeakPolarHBondContact O-CA 3.35Å; E273-G276 PolarHBondContact O-N 2.84Å
274A61.7Low55.2Low81 Ų8198.1 Ų98.167%0.66961%0.614SS**Hα-helixtrans-66.2-34.7-179.700000113A270 L271A270-A274 VanDerWaalsContact O-CB 3.29Å; A270-A274 WeakPolarHBondContact O-CB 3.34Å; A270-A274 PolarHBondContact O-N 2.86Å; L271-A274 PolarHBondContact O-N 2.56Å
275T62.7Low54.6Low66 Ų66102 Ų10241%0.40562%0.615SS.*G310 helixtrans-79-10.1171.654.30000112.4L258 L271 L272 E273 G277 A278L258-T275 HydrophobicContact CD1-CG2 3.99Å; L258-T275 WeakPolarHBondContact CD1-OG1 3.46Å; L271-T275 PolarHBondContact O-N 3.28Å; L271-T275 VanDerWaalsContact O-N 3.09Å; L271-T275 PolarHBondContact O-OG1 3.05Å; L272-T275 PolarHBondContact O-OG1 2.89Å; E273-T275 VanDerWaalsContact C-N 3.34Å; E273-T275 PolarHBondContact O-N 3.33Å; T275-G277 PolarHBondContact O-N 2.99Å; T275-A278 PolarHBondContact O-N 2.88Å
276G54.8Low53.5Low21 Ų2199.9 Ų99.922%0.21662%0.62CS.*G310 helixtrans-66.5-8.8178.100000115.9L272 E273 A278 A279L272-G276 PolarHBondContact O-N 3.35Å; E273-G276 VanDerWaalsContact O-CA 3.31Å; E273-G276 WeakPolarHBondContact O-CA 3.35Å; E273-G276 PolarHBondContact O-N 2.84Å; G276-A278 PolarHBondContact O-N 3.46Å; G276-A279 CarbonylContact O-C 3.51Å; G276-A279 WeakPolarHBondContact O-CA 3.42Å; G276-A279 PolarHBondContact O-N 3.42Å
277G46.1Very low52.6Low82 Ų82104.4 Ų104.485%0.84563%0.631SS**G310 helixtrans-62.8-24.1171.300000114.1T275T275-G277 PolarHBondContact O-N 2.99Å
278A49.6Very low51.4Low96 Ų96110.6 Ų110.679%0.79366%0.663SS**G310 helixtrans-93.7-8.7168.200000112.8T275 G276T275-A278 PolarHBondContact O-N 2.88Å; G276-A278 PolarHBondContact O-N 3.46Å
279A48Very low49.7Very low57 Ų57115.2 Ų115.247%0.47168%0.682SS.*SBendtrans-109.573.9178.100000110.7G276G276-A279 CarbonylContact O-C 3.51Å; G276-A279 WeakPolarHBondContact O-CA 3.42Å; G276-A279 PolarHBondContact O-N 3.42Å
280G43.1Very low48.1Very low71 Ų71117.9 Ų117.973%0.73269%0.691SS**  trans55.281.7150.600000117.6
281R40.4Very low46.9Very low249 Ų249121.2 Ų121.294%0.9471%0.707SS**  trans-129.289.3144.6-84.2-174.3158.9-176-4.5109.1
282S32.9Very low45.9Very low119 Ų119122.7 Ų122.783%0.83272%0.719SS**  trans-84.2114.3152.559.50000106.8H284S282-H284 PolarHBondContact O-N 2.91Å; S282-H284 VanDerWaalsContact O-N 3.11Å
283S39.3Very low44.9Very low117 Ų117124 Ų12482%0.81874%0.744SS**  trans-60.2108.4173.752.70000110.6
284H31.5Very low44.9Very low186 Ų186127.8 Ų127.886%0.86175%0.751SS**  trans-147.8121.4145.2-122.6-67.3000108.1S282S282-H284 PolarHBondContact O-N 2.91Å; S282-H284 VanDerWaalsContact O-N 3.11Å
285L41.5Very low45.8Very low158 Ų158126 Ų12683%0.82773%0.732SS**  trans-61.5128.1173-67.7152.6000108.4
286D34.6Very low46.8Very low165 Ų165126.9 Ų126.988%0.88273%0.728SS**  trans-172.2149.5131.1-84.3-30000109.9
287D40.5Very low48.2Very low150 Ų150133.8 Ų133.880%0.80275%0.748SS**  trans-59.7157.6-160.2-92.8-42.2000118.6
288D38.6Very low50.1Low145 Ų145131.5 Ų131.578%0.77572%0.716SS**  trans57.477.1150.7-70.3-41.8000119.3
289E34.3Very low51.6Low187 Ų187132.8 Ų132.887%0.87471%0.705SS**  trans-146.3137.1138.8-77.8-151.1147.800110.2
290E36.5Very low52.8Low172 Ų172132.6 Ų132.680%0.80470%0.698SS**  trans-50.2144.7173.3-71.5-168143.600111.5V292E290-V292 VanDerWaalsContact C-N 3.33Å; E290-V292 PolarHBondContact O-N 2.86Å
291P41.7Very low53.5Low132 Ų132138.3 Ų138.386%0.85770%0.702SS**  trans-73.586.3-175.230.1-32.6000110.4G293P291-G293 PolarHBondContact O-N 2.96Å
292V43.3Very low54.2Low125 Ų125135.3 Ų135.376%0.75869%0.691SS**  trans-65.2106.7169.8-179.40000107.8E290 R294E290-V292 VanDerWaalsContact C-N 3.33Å; E290-V292 PolarHBondContact O-N 2.86Å; V292-R294 PolarHBondContact O-N 2.98Å
293G52.2Low54.6Low71 Ų71135.6 Ų135.673%0.73269%0.69SS**  trans-52.5100.3179.100000112.2P291 V295P291-G293 PolarHBondContact O-N 2.96Å; G293-V295 PolarHBondContact O-N 2.82Å
294R69.8Low54.7Low233 Ų233136.9 Ų136.988%0.87969%0.688SS**  trans-74.4124.6-174.5-166.8175.2-175.9173.52.3110.7V292 R296V292-R294 PolarHBondContact O-N 2.98Å; R294-R296 PolarHBondContact O-N 3.02Å
295V79.4Confident55Low45 Ų45136 Ų13627%0.27369%0.689SS.*  trans-66.3124.2172.9-175.50000109.6K222 G293 R297K222-V295 HydrophobicContact CB-CG2 4.41Å; K222-V295 HydrophobicContact CD-CG1 4.25Å; K222-V295 HydrophobicContact CG-CG1 4.21Å; G293-V295 PolarHBondContact O-N 2.82Å; V295-R297 PolarHBondContact O-N 2.93Å
296R83.9Confident55.1Low84 Ų84139.2 Ų139.232%0.31769%0.691SS.*EExtended strand (participates in β ladder)trans-77.4107.9176.2-66.2-179.3-70.6129.510.4109.8I223 A224 E225 E252 R294I223-R296 PolarHBondContact O-N 2.91Å; A224-R296 CarbonylContact C-O 3.1Å; A224-R296 WeakPolarHBondContact CA-O 3.25Å; A224-R296 HydrophobicContact CB-CB 4.11Å; E225-R296 PolarHBondContact N-O 3.48Å; E252-R296 IonicContact OE1-CZ 2.7Å; E252-R296 IonicContact OE1-NH1 3.39Å; E252-R296 PolarHBondContact OE1-NH1 3.22Å; E252-R296 IonicContact OE1-NH2 3.26Å; E252-R296 IonicContact OE2-CZ 2.92Å; E252-R296 VanDerWaalsContact OE2-CZ 3.29Å; E252-R296 IonicContact OE2-NH1 2.77Å; E252-R296 PolarHBondContact OE2-NH1 2.7Å; E252-R296 IonicContact OE2-NH2 3.04Å; E252-R296 PolarHBondContact OE2-NH2 3.37Å; R294-R296 PolarHBondContact O-N 3.02Å
297R84.9Confident55.5Low166 Ų166136.7 Ų136.763%0.62668%0.681SS**EExtended strand (participates in β ladder)trans-96.1114.7178.1-61.1-164.7164109.60.8111.4E225 V295E225-R297 HydrophobicContact CG-CB 4.22Å; E225-R297 HydrophobicContact CG-CG 3.86Å; E225-R297 WeakPolarHBondContact OE1-CD 3.5Å; E225-R297 WeakPolarHBondContact OE1-CG 3.08Å; E225-R297 IonicContact OE1-CZ 3.26Å; E225-R297 IonicContact OE1-NE 3.23Å; E225-R297 PolarHBondContact OE1-NE 3.24Å; V295-R297 PolarHBondContact O-N 2.93Å
298I86.3Confident55.7Low34 Ų34138.2 Ų138.217%0.17468%0.683CS.*EExtended strand (participates in β ladder)trans-105115.7-179-59.1162.9000108.5E225 V226 C227 R248 E252E225-I298 PolarHBondContact O-N 2.8Å; V226-I298 HydrophobicContact CG2-CB 4.08Å; V226-I298 HydrophobicContact CG2-CD1 3.87Å; V226-I298 HydrophobicContact CG2-CG2 4.47Å; C227-I298 PolarHBondContact N-O 3.27Å; R248-I298 HydrophobicContact CB-CG2 4.28Å; R248-I298 HydrophobicContact CG-CG2 4.11Å; E252-I298 HydrophobicContact CG-CD1 3.62Å
299H80.4Confident55.7Low123 Ų123140.1 Ų140.157%0.56969%0.687SS**EExtended strand (participates in β ladder)trans-105144173.7-63.479000109.5K301H299-K301 PolarHBondContact O-N 3.49Å
300V74.6Confident55.8Low52 Ų52140.5 Ų140.532%0.31569%0.688SS.*PPolyproline II helixtrans-65.5116.2173.1-176.60000108.6E243 P245E243-V300 HydrophobicContact CB-CB 4.36Å; E243-V300 HydrophobicContact CB-CG1 4.27Å; E243-V300 HydrophobicContact CB-CG2 3.78Å; E243-V300 HydrophobicContact CG-CB 4.24Å; E243-V300 HydrophobicContact CG-CG1 4.1Å; E243-V300 HydrophobicContact CG-CG2 4.17Å; P245-V300 HydrophobicContact CB-CG2 3.96Å; P245-V300 HydrophobicContact CG-CG2 3.89Å
301K57.4Low55.8Low192 Ų192145.3 Ų145.384%0.83571%0.711SS**PPolyproline II helixtrans-67.2137.1174.9-78.8-174.7176.1-1770109.4H299H299-K301 PolarHBondContact O-N 3.49Å
302R54.2Low56.5Low185 Ų185146 Ų14670%0.69870%0.703SS**PPolyproline II helixtrans-63.2137.9166.5-66.1-179.4179.9176.4-1.3108.4D304R302-D304 PolarHBondContact O-N 2.96Å
303P40.9Very low57.2Low125 Ų125147.1 Ų147.181%0.81270%0.701SS**PPolyproline II helixtrans-59.6123.3157.1-13.427.5000107.3D305P303-D305 PolarHBondContact O-N 3.02Å
304D41.7Very low57.4Low144 Ų144151.3 Ų151.377%0.7770%0.699SS**PPolyproline II helixtrans-64.7120.7170.9-78.7-36.1000108.4R302 R306R302-D304 PolarHBondContact O-N 2.96Å; D304-R306 PolarHBondContact O-N 3.41Å
305D39.2Very low56.7Low168 Ų168146.5 Ų146.590%0.89869%0.688SS**  trans-64.980.3163.1-94.9-30.8000108.6P303P303-D305 PolarHBondContact O-N 3.02Å
306R41.8Very low55.3Low226 Ų226152.8 Ų152.885%0.85371%0.714SS**  trans-120.160167.3-85.6-168.6173-173.20.2110.4D304D304-R306 PolarHBondContact O-N 3.41Å
307T44.5Very low53.4Low111 Ų111157.4 Ų157.468%0.68174%0.741SS**  trans-145.496.8153.947.90000107.6
308H44Very low51.1Low183 Ų183156.8 Ų156.885%0.84775%0.749SS**  trans171.477.9140-83.2-48.7000110
309H39Very low48.4Very low185 Ų185166.2 Ų166.286%0.85679%0.793SS**  trans-148.296.8145.9-96.4-1.2000107.6
310H37Very low45.8Very low194 Ų194169.8 Ų169.890%0.89881%0.812SS**  trans-17893.9141.5-94.718.7000108.7
311Q34.8Very low43.1Very low273 Ų273180.5 Ų180.5100%1.27686%0.857SS**  trans-152.60130.1-124.3170.43400108.5

Retrieved 311 of 311 residues in 635.4 ms (Link to these results)