A0A087XH80_POEFO Loading...

Muskelin 1, intracellular mediator containing kelch motifs

AlphaFold DB , UniProt , Accession A0A087XH80, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 742 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
1M36.3Very low71.6Confident247 Ų247101.2 Ų101.2100%1.21759%0.589SS**  0111.70-79.4178.3-113.400106.6
2A36.3Very low73.7Confident102 Ų10294.9 Ų94.984%0.84355%0.55SS*.PPolyproline II helixtrans-67.8132.9171.200000107.7V4A2-V4 PolarHBondContact O-N 3.16Å
3A43.9Very low75.6Confident95 Ų9592.3 Ų92.379%0.78554%0.54SS*.PPolyproline II helixtrans-57.7133.8176.900000109.3
4V55.5Low77.1Confident131 Ų13187.1 Ų87.179%0.79451%0.51SS*.PPolyproline II helixtrans-61.4126.1171.1179.20000106.8A2 E6A2-V4 PolarHBondContact O-N 3.16Å; V4-E6 PolarHBondContact O-N 2.89Å
5P66.3Low78.5Confident48 Ų4886.1 Ų86.131%0.31250%0.497SS..PPolyproline II helixtrans-63.1126.8-176.422.6-31000110.5I149 V154P5-I149 HydrophobicContact CB-CD1 4.16Å; P5-I149 HydrophobicContact CB-CG2 4.25Å; P5-I149 HydrophobicContact CG-CD1 3.96Å; P5-V154 HydrophobicContact CB-CG2 3.79Å; P5-V154 HydrophobicContact CG-CG2 4.24Å
6E78.9Confident79.6Confident172 Ų17286.6 Ų86.680%0.80449%0.491SS*.PPolyproline II helixtrans-75126.2-172.2-160.6172.7-167.700110.4V4V4-E6 PolarHBondContact O-N 2.89Å
7S87.6Confident80.6Confident55 Ų5586.6 Ų86.639%0.38548%0.482SS..PPolyproline II helixtrans-77.8136.9174.3-162.60000109.8Q63 G148S7-Q63 VanDerWaalsContact CB-OE1 3.28Å; S7-Q63 PolarHBondContact OG-OE1 3.37Å; S7-G148 PolarHBondContact OG-N 2.84Å
8R93.5Very high81.4Confident111 Ų11184 Ų8442%0.41947%0.471SS..EExtended strand (participates in β ladder)trans-141.8164.7-178.457.8176.9142.4171.7-2.1112.5L10 H147 G148 E150R8-L10 PolarHBondContact O-N 2.69Å; R8-H147 CarbonylContact O-C 3.39Å; R8-H147 VanDerWaalsContact O-CA 3.31Å; R8-H147 WeakPolarHBondContact O-CA 3.31Å; R8-G148 PolarHBondContact N-O 2.89Å; R8-G148 PolarHBondContact O-N 2.95Å; R8-E150 WeakPolarHBondContact CD-OE1 3.39Å; R8-E150 HydrophobicContact CG-CG 4.19Å; R8-E150 IonicContact CZ-OE1 2.93Å; R8-E150 IonicContact NE-OE1 3.2Å; R8-E150 PolarHBondContact NE-OE1 3.47Å; R8-E150 IonicContact NH1-OE1 2.72Å; R8-E150 PolarHBondContact NH1-OE1 2.95Å; R8-E150 IonicContact NH2-OE1 3.64Å
9V95.8Very high82.1Confident74 Ų7480.5 Ų80.545%0.44845%0.452SS..EExtended strand (participates in β ladder)trans-60.5127.3171-177.30000109.5E145 L146 H147V9-E145 HydrophobicContact CG1-CG 3.9Å; V9-E145 HydrophobicContact CG2-CG 4.4Å; V9-L146 CarbonylContact C-O 3.59Å; V9-L146 WeakPolarHBondContact CA-O 3.46Å; V9-H147 WeakPolarHBondContact CG2-CE1 3.22Å; V9-H147 WeakPolarHBondContact CG2-NE2 3.46Å
10L96.7Very high82.7Confident5 Ų581.1 Ų81.13%0.02645%0.448CS..PPolyproline II helixtrans-95.1135.5179.9-59177.2000110.7R8 L56 A60 V62 L146 E150R8-L10 PolarHBondContact O-N 2.69Å; L10-L56 HydrophobicContact CB-CD2 4.43Å; L10-L56 HydrophobicContact CD1-CD1 4.44Å; L10-A60 HydrophobicContact CD1-CB 3.87Å; L10-A60 HydrophobicContact CD2-CB 3.8Å; L10-A60 HydrophobicContact CG-CB 4.48Å; L10-V62 HydrophobicContact CD1-CB 4.38Å; L10-V62 HydrophobicContact CD1-CG1 4.24Å; L10-V62 HydrophobicContact CD1-CG2 3.95Å; L10-L146 HydrophobicContact CB-CB 4.15Å; L10-L146 HydrophobicContact CD1-CB 4.36Å; L10-L146 PolarHBondContact N-O 2.91Å; L10-E150 HydrophobicContact CD2-CB 3.91Å; L10-E150 HydrophobicContact CD2-CG 4.15Å
11T96.6Very high83.2Confident73 Ų7378.5 Ų78.545%0.44844%0.435SS..PPolyproline II helixtrans-86.3136.1177.2-49.60000110.9L56 E57T11-L56 WeakPolarHBondContact O-CA 3.31Å; T11-E57 HydrophobicContact CG2-CG 3.8Å; T11-E57 VanDerWaalsContact CG2-OE1 3.31Å; T11-E57 WeakPolarHBondContact CG2-OE1 3.22Å; T11-E57 PolarHBondContact O-N 2.98Å
12F97.6Very high85.5Confident26 Ų2671.9 Ų71.911%0.11441%0.414CS..EExtended strand (participates in β ladder)trans-147.2161.1-179.667.8-91.7000112.5L30 L54 K55 L56 I144 L146F12-L30 HydrophobicContact CD2-CD2 3.87Å; F12-L30 HydrophobicContact CE2-CD2 3.29Å; F12-L30 HydrophobicContact CZ-CD2 3.78Å; F12-L54 HydrophobicContact CD2-CB 3.89Å; F12-L54 HydrophobicContact CD2-CD1 3.99Å; F12-L54 HydrophobicContact CD2-CD2 4.07Å; F12-L54 HydrophobicContact CD2-CG 4.19Å; F12-L54 HydrophobicContact CE2-CB 4.45Å; F12-L54 HydrophobicContact CE2-CD1 3.76Å; F12-L54 HydrophobicContact CE2-CD2 3.91Å; F12-L54 HydrophobicContact CE2-CG 4.24Å; F12-L54 HydrophobicContact CG-CB 4.42Å; F12-L54 HydrophobicContact CZ-CD1 4.19Å; F12-K55 CarbonylContact C-O 3.58Å; F12-K55 VanDerWaalsContact CA-O 3.3Å; F12-K55 WeakPolarHBondContact CA-O 3.35Å; F12-K55 WeakPolarHBondContact CB-O 3.39Å; F12-L56 HydrophobicContact CB-CD2 3.86Å; F12-I144 HydrophobicContact CE1-CG2 4.26Å; F12-I144 HydrophobicContact CZ-CB 4.01Å; F12-I144 HydrophobicContact CZ-CG2 3.88Å; F12-I144 WeakPolarHBondContact CZ-O 3.49Å; F12-L146 HydrophobicContact CD1-CD1 3.92Å; F12-L146 HydrophobicContact CD1-CG 4.28Å; F12-L146 HydrophobicContact CE1-CD1 4.32Å; F12-L146 HydrophobicContact CE1-CG 4.26Å; F12-L146 HydrophobicContact CG-CD1 4.35Å
13S97.7Very high88Confident61 Ų6171.4 Ų71.443%0.42740%0.4SS..EExtended strand (participates in β ladder)trans-116.6151.7168700000110.4F15 L54 K55S13-F15 PolarHBondContact O-N 2.98Å; S13-L54 WeakPolarHBondContact O-CA 3.37Å; S13-K55 PolarHBondContact N-O 2.7Å; S13-K55 PolarHBondContact O-N 2.89Å
14V97.3Very high90.3Very high19 Ų1969.3 Ų69.312%0.11537%0.372CS..EExtended strand (participates in β ladder)trans-69.9125167.3-175.50000108.3W17 P26 I29 L30 L52 L54V14-W17 HydrophobicContact CG1-CE3 3.77Å; V14-W17 HydrophobicContact CG1-CZ3 4.03Å; V14-P26 HydrophobicContact CG1-CB 3.73Å; V14-I29 HydrophobicContact CG2-CD1 3.89Å; V14-I29 HydrophobicContact CG2-CG1 4.06Å; V14-L30 HydrophobicContact CG2-CD2 4.4Å; V14-L30 HydrophobicContact CG2-CG 4.42Å; V14-L52 HydrophobicContact CG1-CD2 3.86Å; V14-L54 HydrophobicContact CG2-CD2 4.21Å
15F97.1Very high92.2Very high73 Ų7366.5 Ų66.532%0.3235%0.353SS..EExtended strand (participates in β ladder)trans-106.2-44.5-171.6176.2-108000112.9S13 I53 K55 E89 F124S13-F15 PolarHBondContact O-N 2.98Å; F15-I53 WeakPolarHBondContact CA-O 3.31Å; F15-I53 HydrophobicContact CB-CG2 4.49Å; F15-I53 WeakPolarHBondContact CB-O 3.35Å; F15-I53 HydrophobicContact CD1-CB 4.36Å; F15-I53 HydrophobicContact CD1-CG2 3.95Å; F15-I53 PolarHBondContact N-O 2.98Å; F15-K55 HydrophobicContact CB-CB 3.7Å; F15-K55 HydrophobicContact CD2-CB 4.26Å; F15-K55 HydrophobicContact CD2-CD 3.81Å; F15-K55 HydrophobicContact CE2-CD 4.24Å; F15-K55 HydrophobicContact CG-CB 4.08Å; F15-K55 HydrophobicContact CG-CD 4.42Å; F15-E89 HydrophobicContact CE1-CB 4.18Å; F15-E89 HydrophobicContact CE1-CG 4.49Å; F15-E89 WeakPolarHBondContact CE1-OE2 3.39Å; F15-F124 AromaticContact CD1-CD1 3.98Å; F15-F124 HydrophobicContact CD1-CD1 3.98Å; F15-F124 AromaticContact CD1-CE1 3.72Å; F15-F124 HydrophobicContact CD1-CE1 3.72Å; F15-F124 HydrophobicContact CD2-CE1 4.26Å; F15-F124 HydrophobicContact CE1-CD1 4.29Å; F15-F124 AromaticContact CE1-CE1 3.71Å; F15-F124 HydrophobicContact CE1-CE1 3.71Å; F15-F124 HydrophobicContact CE2-CE1 4.25Å; F15-F124 HydrophobicContact CG-CD1 4.37Å; F15-F124 HydrophobicContact CG-CE1 4Å; F15-F124 AromaticContact CZ-CE1 3.99Å; F15-F124 HydrophobicContact CZ-CE1 3.99Å
16K96.6Very high93.7Very high93 Ų9364.3 Ų64.340%0.40434%0.338SS..EExtended strand (participates in β ladder)trans-152155.5-178.4-161.5175.8-170.8170.80110.2F51 L52 I53 E89K16-F51 HydrophobicContact CB-CE2 4.47Å; K16-F51 HydrophobicContact CD-CE2 4.4Å; K16-F51 HydrophobicContact CG-CE2 4.12Å; K16-L52 CarbonylContact O-C 3.58Å; K16-I53 HydrophobicContact CB-CB 4.02Å; K16-I53 HydrophobicContact CB-CD1 4.14Å; K16-I53 HydrophobicContact CB-CG1 4.19Å; K16-I53 HydrophobicContact CD-CD1 4.17Å; K16-I53 PolarHBondContact N-O 2.85Å; K16-I53 PolarHBondContact O-N 3.24Å; K16-E89 VanDerWaalsContact CD-OE2 3.28Å; K16-E89 WeakPolarHBondContact CD-OE2 3.4Å; K16-E89 IonicContact NZ-OE2 3.45Å; K16-E89 PolarHBondContact NZ-OE2 2.93Å
17W96.2Very high94.5Very high87 Ų8759.9 Ų59.933%0.3332%0.318SS..EExtended strand (participates in β ladder)trans-148.1161.9176.951.287.2000110V14 Y20 P26 F51 L52V14-W17 HydrophobicContact CG1-CE3 3.77Å; V14-W17 HydrophobicContact CG1-CZ3 4.03Å; W17-Y20 AromaticContact CD1-CD1 3.63Å; W17-Y20 HydrophobicContact CZ2-CE1 4.35Å; W17-Y20 AromaticContact NE1-CD1 3.3Å; W17-Y20 VanDerWaalsContact NE1-CD1 3.3Å; W17-Y20 AromaticContact NE1-CE1 3.37Å; W17-P26 HydrophobicContact CB-CG 4.27Å; W17-P26 HydrophobicContact CD2-CB 4.02Å; W17-P26 HydrophobicContact CD2-CG 3.44Å; W17-P26 VanDerWaalsContact CD2-CG 3.44Å; W17-P26 HydrophobicContact CE3-CB 3.79Å; W17-P26 HydrophobicContact CE3-CG 3.72Å; W17-P26 HydrophobicContact CG-CB 4.39Å; W17-P26 HydrophobicContact CG-CG 3.69Å; W17-P26 HydrophobicContact CH2-CG 4.45Å; W17-P26 HydrophobicContact CZ2-CG 4.25Å; W17-P26 HydrophobicContact CZ3-CB 4.23Å; W17-P26 HydrophobicContact CZ3-CG 4.22Å; W17-F51 CarbonylContact C-O 3.15Å; W17-F51 VanDerWaalsContact CA-O 3.27Å; W17-F51 WeakPolarHBondContact CA-O 3.12Å; W17-L52 HydrophobicContact CB-CD2 3.76Å
18S95.3Very high94.9Very high40 Ų4059.3 Ų59.328%0.2831%0.31SS..SBendtrans-77.7-54.4175.651.50000112.5Q50 F51S18-Q50 VanDerWaalsContact OG-CA 3.24Å; S18-Q50 WeakPolarHBondContact OG-CA 3.35Å; S18-Q50 PolarHBondContact OG-OE1 3.29Å; S18-F51 PolarHBondContact N-O 3.05Å; S18-F51 PolarHBondContact OG-N 3.35Å; S18-F51 PolarHBondContact OG-O 2.63Å
19S94.9Very high95.1Very high18 Ų1854 Ų5413%0.12629%0.29CS..  trans-157.5165-17871.90000109.3W41 E44 Q50S19-W41 PolarHBondContact O-NE1 3.18Å; S19-E44 PolarHBondContact OG-N 3.03Å; S19-Q50 PolarHBondContact OG-OE1 2.98Å
20Y95.1Very high95.1Very high92 Ų9253.8 Ų53.836%0.36129%0.286SS..  trans-153.3148.8168.564.7-81000110.5W17 L25 P26 S42W17-Y20 AromaticContact CD1-CD1 3.63Å; W17-Y20 HydrophobicContact CZ2-CE1 4.35Å; W17-Y20 AromaticContact NE1-CD1 3.3Å; W17-Y20 VanDerWaalsContact NE1-CD1 3.3Å; W17-Y20 AromaticContact NE1-CE1 3.37Å; Y20-L25 HydrophobicContact CD2-CD2 3.97Å; Y20-L25 HydrophobicContact CE2-CD2 3.56Å; Y20-P26 HydrophobicContact CD1-CG 4.12Å; Y20-P26 HydrophobicContact CG-CG 4.2Å; Y20-S42 CarbonylContact C-O 3.55Å; Y20-S42 VanDerWaalsContact CA-O 3.22Å; Y20-S42 WeakPolarHBondContact CA-O 3.28Å
21S92Very high94.9Very high26 Ų2657.1 Ų57.118%0.18231%0.307CS..  trans-73.7139.8168.7-65.90000109.7T23 Y24 S42 S43S21-T23 PolarHBondContact O-N 3.17Å; S21-Y24 PolarHBondContact O-N 2.88Å; S21-S42 PolarHBondContact N-O 2.79Å; S21-S43 PolarHBondContact OG-O 3.45Å
22S84.3Confident94.8Very high109 Ų10956.1 Ų56.176%0.76230%0.298SS*.THydrogen-bonded Turntrans-54.3-24-171.456.70000115.8
23T88.4Confident94.7Very high92 Ų9260.2 Ų60.256%0.56432%0.316SS*.THydrogen-bonded Turntrans-93.2-10.2177.343.90000115S21S21-T23 PolarHBondContact O-N 3.17Å
24Y93.8Very high94.4Very high50 Ų5059.5 Ų59.520%0.19631%0.31CS..SBendtrans-12772.5-171.1-57.2-63.5000110.6S21 R40 S42S21-Y24 PolarHBondContact O-N 2.88Å; Y24-R40 CarbonylContact C-O 3.51Å; Y24-R40 VanDerWaalsContact CA-O 3.31Å; Y24-R40 WeakPolarHBondContact CA-O 3.42Å; Y24-R40 WeakPolarHBondContact CB-O 3.47Å; Y24-R40 HydrophobicContact CD1-CG 3.5Å; Y24-R40 HydrophobicContact CE1-CG 4.09Å; Y24-R40 VanDerWaalsContact CE1-NE 3.26Å; Y24-R40 HydrophobicContact CG-CG 4.1Å; Y24-R40 VanDerWaalsContact CZ-NH2 3.28Å; Y24-R40 PolarHBondContact OH-NH2 3.41Å; Y24-R40 VanDerWaalsContact OH-NH2 3.12Å; Y24-S42 PolarHBondContact O-N 2.95Å
25L95.4Very high94.2Very high73 Ų7364.3 Ų64.338%0.38234%0.335SS..  trans-63.4147.8-174.7-66.1170.7000112.3Y20 E27 N28 W41Y20-L25 HydrophobicContact CD2-CD2 3.97Å; Y20-L25 HydrophobicContact CE2-CD2 3.56Å; L25-E27 PolarHBondContact O-N 3.31Å; L25-N28 PolarHBondContact N-ND2 2.72Å; L25-N28 VanDerWaalsContact O-CB 3.31Å; L25-N28 WeakPolarHBondContact O-CB 3.45Å; L25-N28 PolarHBondContact O-N 3.37Å; L25-N28 PolarHBondContact O-ND2 3.06Å; L25-W41 WeakPolarHBondContact O-CA 3.22Å
26P96.1Very high94Very high1 Ų163.7 Ų63.71%0.00634%0.335CS..G310 helixtrans-51.9-39174.2-27.736.1000114.4V14 W17 Y20 N28 I29 L52V14-P26 HydrophobicContact CG1-CB 3.73Å; W17-P26 HydrophobicContact CB-CG 4.27Å; W17-P26 HydrophobicContact CD2-CB 4.02Å; W17-P26 HydrophobicContact CD2-CG 3.44Å; W17-P26 VanDerWaalsContact CD2-CG 3.44Å; W17-P26 HydrophobicContact CE3-CB 3.79Å; W17-P26 HydrophobicContact CE3-CG 3.72Å; W17-P26 HydrophobicContact CG-CB 4.39Å; W17-P26 HydrophobicContact CG-CG 3.69Å; W17-P26 HydrophobicContact CH2-CG 4.45Å; W17-P26 HydrophobicContact CZ2-CG 4.25Å; W17-P26 HydrophobicContact CZ3-CB 4.23Å; W17-P26 HydrophobicContact CZ3-CG 4.22Å; Y20-P26 HydrophobicContact CD1-CG 4.12Å; Y20-P26 HydrophobicContact CG-CG 4.2Å; P26-N28 PolarHBondContact O-N 3.22Å; P26-I29 WeakPolarHBondContact O-CG1 3.18Å; P26-I29 PolarHBondContact O-N 2.84Å; P26-L52 HydrophobicContact CB-CD2 3.83Å
27E96.6Very high93.7Very high80 Ų8063.4 Ų63.437%0.37434%0.335SS..G310 helixtrans-68.4-16.6-176-63.474.7-164.200113.4L25 I29 L30L25-E27 PolarHBondContact O-N 3.31Å; E27-I29 PolarHBondContact O-N 3.48Å; E27-I29 VanDerWaalsContact O-N 3.11Å; E27-L30 HydrophobicContact CB-CD1 4.39Å; E27-L30 WeakPolarHBondContact O-CB 3.38Å; E27-L30 VanDerWaalsContact O-CG 3.31Å; E27-L30 WeakPolarHBondContact O-CG 3.46Å; E27-L30 PolarHBondContact O-N 2.94Å; E27-L30 VanDerWaalsContact O-N 3.1Å
28N96.4Very high93.4Very high42 Ų4262 Ų6223%0.22534%0.338CS..G310 helixtrans-62.1-21.1179.5-71.4-18.3000112.8L25 P26 L30 S38 R40L25-N28 PolarHBondContact N-ND2 2.72Å; L25-N28 VanDerWaalsContact O-CB 3.31Å; L25-N28 WeakPolarHBondContact O-CB 3.45Å; L25-N28 PolarHBondContact O-N 3.37Å; L25-N28 PolarHBondContact O-ND2 3.06Å; P26-N28 PolarHBondContact O-N 3.22Å; N28-L30 PolarHBondContact O-N 3.37Å; N28-S38 PolarHBondContact ND2-O 2.85Å; N28-R40 VanDerWaalsContact CB-C 3.43Å; N28-R40 WeakPolarHBondContact CB-O 3.43Å; N28-R40 PolarHBondContact ND2-O 3.2Å
29I97.1Very high93.3Very high0 Ų060.5 Ų60.50%033%0.328CS..G310 helixtrans-68.8-10.7177.676.2-179.9000113.6V14 P26 E27 V31 W41 L52 L54 I141 Y143 I144V14-I29 HydrophobicContact CG2-CD1 3.89Å; V14-I29 HydrophobicContact CG2-CG1 4.06Å; P26-I29 WeakPolarHBondContact O-CG1 3.18Å; P26-I29 PolarHBondContact O-N 2.84Å; E27-I29 PolarHBondContact O-N 3.48Å; E27-I29 VanDerWaalsContact O-N 3.11Å; I29-V31 VanDerWaalsContact C-N 3.34Å; I29-W41 HydrophobicContact CG2-CB 3.6Å; I29-L52 HydrophobicContact CD1-CD1 3.99Å; I29-L52 HydrophobicContact CG2-CD1 4.21Å; I29-L54 HydrophobicContact CD1-CD2 3.64Å; I29-I141 HydrophobicContact CB-CG2 4.27Å; I29-I141 HydrophobicContact CG2-CB 3.99Å; I29-I141 HydrophobicContact CG2-CG2 3.74Å; I29-I141 WeakPolarHBondContact CG2-O 3.42Å; I29-Y143 CarbonylContact O-C 3.47Å; I29-Y143 VanDerWaalsContact O-CA 3.28Å; I29-Y143 WeakPolarHBondContact O-CA 3.18Å; I29-Y143 VanDerWaalsContact O-CD2 3.24Å; I29-Y143 WeakPolarHBondContact O-CD2 3.31Å; I29-I144 HydrophobicContact CB-CG1 4.39Å; I29-I144 HydrophobicContact CD1-CG1 4.12Å; I29-I144 PolarHBondContact O-N 2.96Å
30L96.1Very high93.3Very high70 Ų7060.2 Ų60.237%0.36632%0.324SS..G310 helixtrans-80.2-17.3-176.3-62.2173.9000112.8F12 V14 E27 N28F12-L30 HydrophobicContact CD2-CD2 3.87Å; F12-L30 HydrophobicContact CE2-CD2 3.29Å; F12-L30 HydrophobicContact CZ-CD2 3.78Å; V14-L30 HydrophobicContact CG2-CD2 4.4Å; V14-L30 HydrophobicContact CG2-CG 4.42Å; E27-L30 HydrophobicContact CB-CD1 4.39Å; E27-L30 WeakPolarHBondContact O-CB 3.38Å; E27-L30 VanDerWaalsContact O-CG 3.31Å; E27-L30 WeakPolarHBondContact O-CG 3.46Å; E27-L30 PolarHBondContact O-N 2.94Å; E27-L30 VanDerWaalsContact O-N 3.1Å; N28-L30 PolarHBondContact O-N 3.37Å
31V93.5Very high93.4Very high75 Ų7555.8 Ų55.846%0.45531%0.307SS..SBendtrans-125.3124.7-174.6-168.40000109.9I29 K33 S39I29-V31 VanDerWaalsContact C-N 3.34Å; V31-K33 HydrophobicContact CG1-CD 4.33Å; V31-K33 HydrophobicContact CG1-CG 4.01Å; V31-K33 PolarHBondContact O-N 3.03Å; V31-S39 PolarHBondContact O-OG 3.48Å
32D94.1Very high93.6Very high51 Ų5154.8 Ų54.827%0.27330%0.3SS..  trans-81.798.2178.1-173.438.4000111.1K106 Y143D32-K106 WeakPolarHBondContact OD2-CE 3.32Å; D32-K106 IonicContact OD2-NZ 3.89Å; D32-K106 PolarHBondContact OD2-NZ 3.39Å; D32-Y143 HydrophobicContact CB-CD1 3.88Å; D32-Y143 HydrophobicContact CB-CD2 3.74Å; D32-Y143 HydrophobicContact CB-CE1 4.12Å; D32-Y143 HydrophobicContact CB-CE2 4Å; D32-Y143 HydrophobicContact CB-CG 3.67Å
33K94.4Very high94.1Very high113 Ų11349.6 Ų49.649%0.49126%0.263SS..  trans-12478.5174-66.1176.8176.6175.40110.3V31 N35 D36V31-K33 HydrophobicContact CG1-CD 4.33Å; V31-K33 HydrophobicContact CG1-CG 4.01Å; V31-K33 PolarHBondContact O-N 3.03Å; K33-N35 PolarHBondContact O-N 2.93Å; K33-N35 VanDerWaalsContact O-N 3.09Å; K33-D36 HydrophobicContact CB-CB 3.98Å; K33-D36 PolarHBondContact O-N 2.91Å
34P91.9Very high94.4Very high45 Ų4551.9 Ų51.929%0.29227%0.268SS..THydrogen-bonded Turntrans-60.9-24.1-175.923.6-34.7000113.6K69 Y70 E71P34-K69 VanDerWaalsContact CB-O 3.31Å; P34-K69 WeakPolarHBondContact CB-O 3.48Å; P34-Y70 WeakPolarHBondContact O-CD2 3.3Å; P34-Y70 WeakPolarHBondContact O-CE2 3.23Å; P34-E71 WeakPolarHBondContact O-CG 3.46Å; P34-E71 PolarHBondContact O-N 3.34Å
35N93.7Very high94.1Very high121 Ų12151.5 Ų51.565%0.64727%0.273SS*.THydrogen-bonded Turntrans-88-2.7-178.5-56.5-14.1000113.4K33 E71K33-N35 PolarHBondContact O-N 2.93Å; K33-N35 VanDerWaalsContact O-N 3.09Å; N35-E71 PolarHBondContact OD1-OE2 2.82Å
36D91.9Very high93.8Very high60 Ų6050.8 Ų50.832%0.32127%0.269SS..  trans-113.2107.7-178-176.4-8.8000110.1K33 S38 S39K33-D36 HydrophobicContact CB-CB 3.98Å; K33-D36 PolarHBondContact O-N 2.91Å; D36-S38 VanDerWaalsContact CG-OG 3.31Å; D36-S38 PolarHBondContact O-N 3.37Å; D36-S38 VanDerWaalsContact O-N 3.13Å; D36-S38 WeakPolarHBondContact OD1-CB 3.45Å; D36-S38 PolarHBondContact OD1-N 3.49Å; D36-S38 PolarHBondContact OD1-OG 2.91Å; D36-S38 PolarHBondContact OD2-OG 3.32Å; D36-S39 WeakPolarHBondContact O-CB 3.47Å; D36-S39 PolarHBondContact O-N 2.76Å
37Q90.1Very high93.4Very high87 Ų8759.4 Ų59.441%0.40730%0.303SS..THydrogen-bonded Turntrans-62.2-23.1-178.6-165.8176.118.700113Y70 H74 W142Q37-Y70 HydrophobicContact CB-CE2 3.92Å; Q37-Y70 HydrophobicContact CG-CE2 4.42Å; Q37-H74 PolarHBondContact NE2-NE2 2.95Å; Q37-W142 HydrophobicContact CG-CH2 4.32Å
38S90.9Very high92.8Very high57 Ų5758.4 Ų58.440%0.39930%0.303SS..THydrogen-bonded Turntrans-80.8-16.6178.174.20000113.5N28 D36 R40N28-S38 PolarHBondContact ND2-O 2.85Å; D36-S38 VanDerWaalsContact CG-OG 3.31Å; D36-S38 PolarHBondContact O-N 3.37Å; D36-S38 VanDerWaalsContact O-N 3.13Å; D36-S38 WeakPolarHBondContact OD1-CB 3.45Å; D36-S38 PolarHBondContact OD1-N 3.49Å; D36-S38 PolarHBondContact OD1-OG 2.91Å; D36-S38 PolarHBondContact OD2-OG 3.32Å; S38-R40 PolarHBondContact O-N 3.1Å
39S93.6Very high92.4Very high9 Ų961.3 Ų61.36%0.06332%0.324CS..SBendtrans-79.560.5-178.7-1640000112.3V31 D36 W142V31-S39 PolarHBondContact O-OG 3.48Å; D36-S39 WeakPolarHBondContact O-CB 3.47Å; D36-S39 PolarHBondContact O-N 2.76Å; S39-W142 VanDerWaalsContact O-O 3.14Å
40R95.1Very high92.3Very high11 Ų1162 Ų624%0.04233%0.328CS..SBendtrans-149.4155.7174.567.5-171.1-177.4-171.7-4.6111.2Y24 N28 S38 H74 I141 W142Y24-R40 CarbonylContact C-O 3.51Å; Y24-R40 VanDerWaalsContact CA-O 3.31Å; Y24-R40 WeakPolarHBondContact CA-O 3.42Å; Y24-R40 WeakPolarHBondContact CB-O 3.47Å; Y24-R40 HydrophobicContact CD1-CG 3.5Å; Y24-R40 HydrophobicContact CE1-CG 4.09Å; Y24-R40 VanDerWaalsContact CE1-NE 3.26Å; Y24-R40 HydrophobicContact CG-CG 4.1Å; Y24-R40 VanDerWaalsContact CZ-NH2 3.28Å; Y24-R40 PolarHBondContact OH-NH2 3.41Å; Y24-R40 VanDerWaalsContact OH-NH2 3.12Å; N28-R40 VanDerWaalsContact CB-C 3.43Å; N28-R40 WeakPolarHBondContact CB-O 3.43Å; N28-R40 PolarHBondContact ND2-O 3.2Å; S38-R40 PolarHBondContact O-N 3.1Å; R40-H74 PolarHBondContact NH1-CE1 3.2Å; R40-H74 PolarHBondContact NH1-ND1 2.72Å; R40-H74 PolarHBondContact NH1-NE2 3.11Å; R40-I141 CarbonylContact C-O 3.58Å; R40-I141 WeakPolarHBondContact CA-O 3.14Å; R40-I141 WeakPolarHBondContact CB-O 3.43Å; R40-W142 HydrophobicContact CB-CD2 3.96Å; R40-W142 HydrophobicContact CB-CE3 3.69Å; R40-W142 HydrophobicContact CB-CG 4.42Å; R40-W142 HydrophobicContact CB-CZ3 4.14Å; R40-W142 HydrophobicContact CG-CE3 4.32Å; R40-W142 HydrophobicContact CG-CZ3 4.28Å
41W96.8Very high92.4Very high0 Ų060.5 Ų60.50%032%0.318CS..EExtended strand (participates in β ladder)trans-80.1140.5153.7169.972.3000108.9S19 L25 I29 Q50 L52 P129 F139 S140 I141S19-W41 PolarHBondContact O-NE1 3.18Å; L25-W41 WeakPolarHBondContact O-CA 3.22Å; I29-W41 HydrophobicContact CG2-CB 3.6Å; W41-Q50 HydrophobicContact CH2-CB 4.47Å; W41-L52 HydrophobicContact CB-CD1 4.05Å; W41-L52 HydrophobicContact CD2-CD1 3.42Å; W41-L52 VanDerWaalsContact CD2-CD1 3.42Å; W41-L52 HydrophobicContact CD2-CD2 4.38Å; W41-L52 HydrophobicContact CD2-CG 3.89Å; W41-L52 HydrophobicContact CE3-CD1 3.47Å; W41-L52 VanDerWaalsContact CE3-CD1 3.47Å; W41-L52 HydrophobicContact CE3-CG 4.16Å; W41-L52 HydrophobicContact CG-CD1 3.71Å; W41-L52 HydrophobicContact CG-CD2 4.36Å; W41-L52 HydrophobicContact CG-CG 4.31Å; W41-L52 HydrophobicContact CH2-CG 4.44Å; W41-L52 HydrophobicContact CZ2-CG 4.21Å; W41-L52 HydrophobicContact CZ3-CD1 4.06Å; W41-L52 HydrophobicContact CZ3-CG 4.43Å; W41-P129 HydrophobicContact CH2-CG 3.98Å; W41-P129 HydrophobicContact CZ3-CG 3.83Å; W41-F139 HydrophobicContact CZ3-CB 4.37Å; W41-S140 CarbonylContact O-C 3.42Å; W41-S140 WeakPolarHBondContact O-CA 3.47Å; W41-S140 WeakPolarHBondContact O-CB 3.31Å; W41-I141 HydrophobicContact CE3-CB 3.95Å; W41-I141 HydrophobicContact CE3-CD1 3.84Å; W41-I141 HydrophobicContact CE3-CG1 3.79Å; W41-I141 HydrophobicContact CZ3-CD1 3.78Å; W41-I141 HydrophobicContact CZ3-CG1 3.97Å; W41-I141 PolarHBondContact N-O 3.12Å; W41-I141 PolarHBondContact O-N 3.13Å
42S96Very high92.5Very high4 Ų456.9 Ų56.93%0.02830%0.296CS..EExtended strand (participates in β ladder)trans-137.6130.2168.5-171.10000109.8Y20 S21 Y24 F139 S140Y20-S42 CarbonylContact C-O 3.55Å; Y20-S42 VanDerWaalsContact CA-O 3.22Å; Y20-S42 WeakPolarHBondContact CA-O 3.28Å; S21-S42 PolarHBondContact N-O 2.79Å; Y24-S42 PolarHBondContact O-N 2.95Å; S42-F139 CarbonylContact C-O 3.54Å; S42-F139 VanDerWaalsContact CA-O 3.23Å; S42-F139 WeakPolarHBondContact CA-O 3.36Å; S42-S140 PolarHBondContact OG-OG 2.73Å
43S95.3Very high92.7Very high0 Ų054.7 Ų54.70%028%0.284CS..  trans-60.3158.9174.563.80000111.4S21 S45 N138 F139S21-S43 PolarHBondContact OG-O 3.45Å; S43-S45 VanDerWaalsContact CB-O 3.32Å; S43-S45 WeakPolarHBondContact CB-O 3.28Å; S43-S45 PolarHBondContact OG-O 3.2Å; S43-N138 WeakPolarHBondContact O-CB 3.31Å; S43-N138 PolarHBondContact O-ND2 3.21Å; S43-F139 PolarHBondContact N-O 2.98Å; S43-F139 PolarHBondContact OG-N 2.97Å
44E93.1Very high92.9Very high140 Ų14049.3 Ų49.365%0.65426%0.261SS*.SBendtrans-78.1-30.9174.6-170175.1-160.300111.5S19 N138S19-E44 PolarHBondContact OG-N 3.03Å; E44-N138 VanDerWaalsContact C-ND2 3.34Å; E44-N138 PolarHBondContact O-ND2 2.85Å
45S88.9Confident93.2Very high43 Ų4350.5 Ų50.530%0.30126%0.262SS..  trans-129.3160.6175.1800000112.4S43 Y47 Q50 N138S43-S45 VanDerWaalsContact CB-O 3.32Å; S43-S45 WeakPolarHBondContact CB-O 3.28Å; S43-S45 PolarHBondContact OG-O 3.2Å; S45-Y47 VanDerWaalsContact C-N 3.33Å; S45-Y47 PolarHBondContact OG-N 3.21Å; S45-Q50 PolarHBondContact OG-NE2 3.26Å; S45-Q50 VanDerWaalsContact OG-NE2 3.13Å; S45-N138 VanDerWaalsContact C-OD1 3.28Å; S45-N138 WeakPolarHBondContact CA-OD1 3.46Å
46N88.3Confident93.4Very high58 Ų5844.9 Ų44.931%0.3123%0.231SC..SBendtrans-93.310.9172.170.6-24.2000112.7P48 P135 S136 F137 N138 F139N46-P48 WeakPolarHBondContact O-CD 3.47Å; N46-P135 PolarHBondContact ND2-O 3.13Å; N46-S136 WeakPolarHBondContact ND2-CA 3.27Å; N46-F137 VanDerWaalsContact CB-O 3.25Å; N46-F137 WeakPolarHBondContact CB-O 3.39Å; N46-N138 PolarHBondContact N-OD1 2.68Å; N46-F139 WeakPolarHBondContact O-CE2 3.43Å; N46-F139 WeakPolarHBondContact O-CZ 3.26Å
47Y87.3Confident93.6Very high182 Ų18247.8 Ų47.871%0.71424%0.243SC*.SBendtrans-94.9118.5-179.2-147.3-92000109.9S45 Q50S45-Y47 VanDerWaalsContact C-N 3.33Å; S45-Y47 PolarHBondContact OG-N 3.21Å; Y47-Q50 WeakPolarHBondContact O-CG 3.27Å; Y47-Q50 PolarHBondContact O-NE2 3.5Å
48P84.9Confident93.8Very high59 Ų5951 Ų5138%0.38325%0.252SS..SBendtrans-62.6152.5173.7-21.633.9000111.8N46 F139N46-P48 WeakPolarHBondContact O-CD 3.47Å; P48-F139 HydrophobicContact CG-CZ 4.39Å
49P88.6Confident94Very high103 Ų10350 Ų5067%0.66924%0.244SC*.PPolyproline II helixcis-82.5125.83.831.5-32.8000112.4
50Q95.1Very high94.2Very high15 Ų1549.7 Ų49.77%0.0724%0.241CC..  trans-113.3143.7164.3-60.6-60.7-36.900108.5S18 S19 W41 S45 Y47 P129 F139S18-Q50 VanDerWaalsContact OG-CA 3.24Å; S18-Q50 WeakPolarHBondContact OG-CA 3.35Å; S18-Q50 PolarHBondContact OG-OE1 3.29Å; S19-Q50 PolarHBondContact OG-OE1 2.98Å; W41-Q50 HydrophobicContact CH2-CB 4.47Å; S45-Q50 PolarHBondContact OG-NE2 3.26Å; S45-Q50 VanDerWaalsContact OG-NE2 3.13Å; Y47-Q50 WeakPolarHBondContact O-CG 3.27Å; Y47-Q50 PolarHBondContact O-NE2 3.5Å; Q50-P129 VanDerWaalsContact O-CD 3.31Å; Q50-P129 WeakPolarHBondContact O-CD 3.3Å; Q50-F139 HydrophobicContact CB-CD2 3.63Å; Q50-F139 HydrophobicContact CB-CE2 3.94Å; Q50-F139 HydrophobicContact CG-CD2 3.56Å; Q50-F139 HydrophobicContact CG-CE2 3.62Å
51F96.3Very high94.3Very high37 Ų3749.1 Ų49.116%0.16224%0.24CC..  trans-158.6158.8-177.966.7-95.7000113.6K16 W17 S18 I53 K126 I127 V128K16-F51 HydrophobicContact CB-CE2 4.47Å; K16-F51 HydrophobicContact CD-CE2 4.4Å; K16-F51 HydrophobicContact CG-CE2 4.12Å; W17-F51 CarbonylContact C-O 3.15Å; W17-F51 VanDerWaalsContact CA-O 3.27Å; W17-F51 WeakPolarHBondContact CA-O 3.12Å; S18-F51 PolarHBondContact N-O 3.05Å; S18-F51 PolarHBondContact OG-N 3.35Å; S18-F51 PolarHBondContact OG-O 2.63Å; F51-I53 HydrophobicContact CD2-CD1 4.24Å; F51-I53 HydrophobicContact CD2-CG1 3.75Å; F51-I53 HydrophobicContact CE2-CD1 4.03Å; F51-I53 HydrophobicContact CE2-CG1 3.93Å; F51-K126 HydrophobicContact CB-CG 4.32Å; F51-I127 CarbonylContact C-O 3.59Å; F51-I127 WeakPolarHBondContact CA-O 3.49Å; F51-I127 WeakPolarHBondContact CB-O 3.24Å; F51-V128 HydrophobicContact CB-CG2 4.24Å
52L97.3Very high94.3Very high0 Ų049.3 Ų49.30%024%0.24CC..EExtended strand (participates in β ladder)trans-124134.5162.5-83.4165.7000108.8V14 K16 W17 P26 I29 W41 K126 I127 I141V14-L52 HydrophobicContact CG1-CD2 3.86Å; K16-L52 CarbonylContact O-C 3.58Å; W17-L52 HydrophobicContact CB-CD2 3.76Å; P26-L52 HydrophobicContact CB-CD2 3.83Å; I29-L52 HydrophobicContact CD1-CD1 3.99Å; I29-L52 HydrophobicContact CG2-CD1 4.21Å; W41-L52 HydrophobicContact CB-CD1 4.05Å; W41-L52 HydrophobicContact CD2-CD1 3.42Å; W41-L52 VanDerWaalsContact CD2-CD1 3.42Å; W41-L52 HydrophobicContact CD2-CD2 4.38Å; W41-L52 HydrophobicContact CD2-CG 3.89Å; W41-L52 HydrophobicContact CE3-CD1 3.47Å; W41-L52 VanDerWaalsContact CE3-CD1 3.47Å; W41-L52 HydrophobicContact CE3-CG 4.16Å; W41-L52 HydrophobicContact CG-CD1 3.71Å; W41-L52 HydrophobicContact CG-CD2 4.36Å; W41-L52 HydrophobicContact CG-CG 4.31Å; W41-L52 HydrophobicContact CH2-CG 4.44Å; W41-L52 HydrophobicContact CZ2-CG 4.21Å; W41-L52 HydrophobicContact CZ3-CD1 4.06Å; W41-L52 HydrophobicContact CZ3-CG 4.43Å; L52-K126 CarbonylContact O-C 3.58Å; L52-K126 VanDerWaalsContact O-CA 3.28Å; L52-K126 WeakPolarHBondContact O-CA 3.1Å; L52-I127 PolarHBondContact N-O 3.01Å; L52-I127 PolarHBondContact O-N 3.41Å; L52-I141 HydrophobicContact CD1-CB 4.48Å; L52-I141 HydrophobicContact CD1-CD1 3.77Å
53I97.9Very high94.2Very high4 Ų451.1 Ų51.12%0.02125%0.249CC..EExtended strand (participates in β ladder)trans-111.3124.2170.6-52.4-173.1000107.8F15 K16 F51 E89 M92 F124 V125 K126F15-I53 WeakPolarHBondContact CA-O 3.31Å; F15-I53 HydrophobicContact CB-CG2 4.49Å; F15-I53 WeakPolarHBondContact CB-O 3.35Å; F15-I53 HydrophobicContact CD1-CB 4.36Å; F15-I53 HydrophobicContact CD1-CG2 3.95Å; F15-I53 PolarHBondContact N-O 2.98Å; K16-I53 HydrophobicContact CB-CB 4.02Å; K16-I53 HydrophobicContact CB-CD1 4.14Å; K16-I53 HydrophobicContact CB-CG1 4.19Å; K16-I53 HydrophobicContact CD-CD1 4.17Å; K16-I53 PolarHBondContact N-O 2.85Å; K16-I53 PolarHBondContact O-N 3.24Å; F51-I53 HydrophobicContact CD2-CD1 4.24Å; F51-I53 HydrophobicContact CD2-CG1 3.75Å; F51-I53 HydrophobicContact CE2-CD1 4.03Å; F51-I53 HydrophobicContact CE2-CG1 3.93Å; I53-E89 HydrophobicContact CD1-CB 4.38Å; I53-M92 HydrophobicContact CD1-CE 4.49Å; I53-M92 HydrophobicContact CG2-CE 3.99Å; I53-F124 HydrophobicContact CG2-CB 4.22Å; I53-F124 HydrophobicContact CG2-CD1 4.05Å; I53-V125 CarbonylContact C-O 3.51Å; I53-V125 WeakPolarHBondContact CA-O 3.33Å; I53-K126 HydrophobicContact CD1-CD 4.26Å; I53-K126 HydrophobicContact CG1-CB 4.09Å; I53-K126 HydrophobicContact CG1-CD 4.21Å; I53-K126 HydrophobicContact CG1-CG 3.94Å
54L98.2Very high94.1Very high0 Ų052.1 Ų52.10%026%0.256CS..EExtended strand (participates in β ladder)trans-101139.8175.3-46-178.7000108.2F12 S13 V14 I29 F124 V125 I127 I144 L146F12-L54 HydrophobicContact CD2-CB 3.89Å; F12-L54 HydrophobicContact CD2-CD1 3.99Å; F12-L54 HydrophobicContact CD2-CD2 4.07Å; F12-L54 HydrophobicContact CD2-CG 4.19Å; F12-L54 HydrophobicContact CE2-CB 4.45Å; F12-L54 HydrophobicContact CE2-CD1 3.76Å; F12-L54 HydrophobicContact CE2-CD2 3.91Å; F12-L54 HydrophobicContact CE2-CG 4.24Å; F12-L54 HydrophobicContact CG-CB 4.42Å; F12-L54 HydrophobicContact CZ-CD1 4.19Å; S13-L54 WeakPolarHBondContact O-CA 3.37Å; V14-L54 HydrophobicContact CG2-CD2 4.21Å; I29-L54 HydrophobicContact CD1-CD2 3.64Å; L54-F124 CarbonylContact O-C 3.55Å; L54-F124 VanDerWaalsContact O-CA 3.23Å; L54-F124 WeakPolarHBondContact O-CA 3.28Å; L54-V125 HydrophobicContact CB-CB 4.39Å; L54-V125 PolarHBondContact N-O 3.3Å; L54-V125 PolarHBondContact O-N 2.93Å; L54-I127 HydrophobicContact CD1-CD1 4.12Å; L54-I144 HydrophobicContact CD1-CG2 3.86Å; L54-L146 HydrophobicContact CD1-CD1 4.21Å
55K98.1Very high94.3Very high71 Ų7145.5 Ų45.531%0.30922%0.224SC..EExtended strand (participates in β ladder)trans-114.9115.7174.4-179.9-179.3-176-179.30108.2F12 S13 F15 F124F12-K55 CarbonylContact C-O 3.58Å; F12-K55 VanDerWaalsContact CA-O 3.3Å; F12-K55 WeakPolarHBondContact CA-O 3.35Å; F12-K55 WeakPolarHBondContact CB-O 3.39Å; S13-K55 PolarHBondContact N-O 2.7Å; S13-K55 PolarHBondContact O-N 2.89Å; F15-K55 HydrophobicContact CB-CB 3.7Å; F15-K55 HydrophobicContact CD2-CB 4.26Å; F15-K55 HydrophobicContact CD2-CD 3.81Å; F15-K55 HydrophobicContact CE2-CD 4.24Å; F15-K55 HydrophobicContact CG-CB 4.08Å; F15-K55 HydrophobicContact CG-CD 4.42Å; K55-F124 HydrophobicContact CB-CD1 3.97Å; K55-F124 HydrophobicContact CB-CE1 3.93Å; K55-F124 HydrophobicContact CD-CE1 3.83Å; K55-F124 HydrophobicContact CD-CZ 4.27Å; K55-F124 HydrophobicContact CG-CD1 4.13Å; K55-F124 HydrophobicContact CG-CE1 3.73Å; K55-F124 HydrophobicContact CG-CZ 4.31Å
56L97.7Very high94.5Very high2 Ų243.9 Ų43.91%0.0121%0.213CC..EExtended strand (participates in β ladder)trans-63.4152.7174.4-56.6-177.1000109.8L10 T11 F12 R58 A60 V62 C122 R123 L146L10-L56 HydrophobicContact CB-CD2 4.43Å; L10-L56 HydrophobicContact CD1-CD1 4.44Å; T11-L56 WeakPolarHBondContact O-CA 3.31Å; F12-L56 HydrophobicContact CB-CD2 3.86Å; L56-R58 VanDerWaalsContact C-N 3.34Å; L56-R58 WeakPolarHBondContact CB-O 3.29Å; L56-A60 HydrophobicContact CD1-CB 3.93Å; L56-V62 HydrophobicContact CD1-CG2 3.72Å; L56-C122 WeakPolarHBondContact CD1-O 3.43Å; L56-R123 PolarHBondContact N-O 3.31Å; L56-R123 PolarHBondContact O-NE 2.81Å; L56-R123 PolarHBondContact O-NH1 3.2Å; L56-R123 PolarHBondContact O-NH2 3.49Å; L56-L146 HydrophobicContact CD2-CD1 3.65Å
57E95.4Very high94.9Very high122 Ų12241.2 Ų41.257%0.5720%0.199SC*.EExtended strand (participates in β ladder)trans-68.4-35.6175.5-73.2-165.1164.200112.6T11 R123T11-E57 HydrophobicContact CG2-CG 3.8Å; T11-E57 VanDerWaalsContact CG2-OE1 3.31Å; T11-E57 WeakPolarHBondContact CG2-OE1 3.22Å; T11-E57 PolarHBondContact O-N 2.98Å; E57-R123 PolarHBondContact O-NH1 3.44Å; E57-R123 PolarHBondContact O-NH2 3.06Å
58R94.8Very high95.2Very high155 Ų15532.6 Ų32.659%0.58517%0.165SC*.EExtended strand (participates in β ladder)trans-131152175.1-65.4-178.4-176.2175.52.4109.2L56 A60L56-R58 VanDerWaalsContact C-N 3.34Å; L56-R58 WeakPolarHBondContact CB-O 3.29Å; R58-A60 PolarHBondContact O-N 3.36Å
59P96Very high95.5Very high35 Ų3530 Ų3023%0.22715%0.148CC..EExtended strand (participates in β ladder)trans-56.1139.8168-19.732.9000109.8M87 C122 V155 L159P59-M87 HydrophobicContact CB-CE 4.27Å; P59-M87 HydrophobicContact CB-SD 4.37Å; P59-M87 HydrophobicContact CG-CE 4.21Å; P59-C122 WeakPolarHBondContact CA-O 3.48Å; P59-V155 HydrophobicContact CB-CG1 4.2Å; P59-L159 HydrophobicContact CB-CD1 4.04Å; P59-L159 HydrophobicContact CB-CD2 4.19Å; P59-L159 HydrophobicContact CB-CG 4.5Å; P59-L159 HydrophobicContact CG-CD1 4.22Å
60A97.1Very high95.7Very high2 Ų226.5 Ų26.52%0.01712%0.121CC..EExtended strand (participates in β ladder)trans-148158.5-178.700000111L10 L56 R58 V62 P121 C122 I149 E150L10-A60 HydrophobicContact CD1-CB 3.87Å; L10-A60 HydrophobicContact CD2-CB 3.8Å; L10-A60 HydrophobicContact CG-CB 4.48Å; L56-A60 HydrophobicContact CD1-CB 3.93Å; R58-A60 PolarHBondContact O-N 3.36Å; A60-V62 PolarHBondContact O-N 3.49Å; A60-P121 WeakPolarHBondContact O-CA 3.42Å; A60-C122 PolarHBondContact N-O 3.36Å; A60-C122 PolarHBondContact O-N 2.77Å; A60-I149 CarbonylContact C-O 3.58Å; A60-I149 WeakPolarHBondContact CA-O 3.18Å; A60-I149 WeakPolarHBondContact CB-O 3.46Å; A60-E150 HydrophobicContact CB-CB 4.14Å
61I97.2Very high95.4Very high0 Ų029.1 Ų29.10%013%0.134CC..EExtended strand (participates in β ladder)trans-83.1103.4166.3-48.8-51.7000107.3Q63 H113 M119 F120 P121 G148 I149 V155 C158I61-Q63 HydrophobicContact CG2-CG 4.37Å; I61-Q63 PolarHBondContact O-N 2.87Å; I61-H113 HydrophobicContact CG2-CB 3.94Å; I61-M119 HydrophobicContact CD1-CB 4.05Å; I61-M119 HydrophobicContact CG1-CB 4.24Å; I61-M119 HydrophobicContact CG1-SD 4.46Å; I61-M119 HydrophobicContact CG2-CB 4.1Å; I61-M119 HydrophobicContact CG2-CG 4.24Å; I61-M119 HydrophobicContact CG2-SD 4.03Å; I61-F120 WeakPolarHBondContact CD1-O 3.15Å; I61-P121 HydrophobicContact CD1-CB 4.08Å; I61-G148 CarbonylContact O-C 3.45Å; I61-G148 WeakPolarHBondContact O-CA 3.49Å; I61-I149 HydrophobicContact CB-CB 4.22Å; I61-I149 HydrophobicContact CG1-CB 4.42Å; I61-I149 PolarHBondContact N-O 2.86Å; I61-I149 PolarHBondContact O-N 3.29Å; I61-V155 HydrophobicContact CG1-CG2 4.37Å; I61-C158 HydrophobicContact CD1-CB 3.92Å
62V97Very high94.9Very high3 Ų333.2 Ų33.22%0.01815%0.152CC..EExtended strand (participates in β ladder)trans-84.1112.2-177.7-167.50000109.1L10 L56 A60 L111 H113 C122 V125 L146L10-V62 HydrophobicContact CD1-CB 4.38Å; L10-V62 HydrophobicContact CD1-CG1 4.24Å; L10-V62 HydrophobicContact CD1-CG2 3.95Å; L56-V62 HydrophobicContact CD1-CG2 3.72Å; A60-V62 PolarHBondContact O-N 3.49Å; V62-L111 HydrophobicContact CB-CD1 4.45Å; V62-L111 HydrophobicContact CG1-CD1 3.68Å; V62-H113 WeakPolarHBondContact O-CB 3.39Å; V62-C122 HydrophobicContact CG2-CB 3.89Å; V62-V125 HydrophobicContact CG2-CG2 4.21Å; V62-L146 HydrophobicContact CG1-CB 4.42Å; V62-L146 HydrophobicContact CG1-CD2 4.1Å
63Q93.5Very high94.5Very high43 Ų4337.6 Ų37.620%0.20118%0.178CC..EExtended strand (participates in β ladder)trans-98.1-31.5-172.3-68.2178.2-51.700112.8S7 I61 L111 H147S7-Q63 VanDerWaalsContact CB-OE1 3.28Å; S7-Q63 PolarHBondContact OG-OE1 3.37Å; I61-Q63 HydrophobicContact CG2-CG 4.37Å; I61-Q63 PolarHBondContact O-N 2.87Å; Q63-L111 PolarHBondContact O-N 3.26Å; Q63-H147 PolarHBondContact N-O 3.36Å
64S93.3Very high94Very high21 Ų2138.6 Ų38.615%0.14718%0.183CC..EExtended strand (participates in β ladder)trans-151.4161.6177.764.50000112.9F109 H147S64-F109 CarbonylContact C-O 3.58Å; S64-F109 WeakPolarHBondContact CA-O 3.5Å; S64-F109 WeakPolarHBondContact CB-O 3.41Å; S64-H147 PolarHBondContact N-O 2.67Å; S64-H147 VanDerWaalsContact N-O 3.17Å; S64-H147 PolarHBondContact O-N 3.25Å; S64-H147 WeakPolarHBondContact OG-CB 3.5Å
65I96.8Very high93.6Very high0 Ų041.2 Ų41.20%020%0.199CC..EExtended strand (participates in β ladder)trans-130.8133.6175.5-176.3167.2000109.7F67 V83 L96 T108 F109 L111 I127 I144 E145 L146I65-F67 HydrophobicContact CD1-CE2 3.83Å; I65-F67 HydrophobicContact CD1-CZ 3.81Å; I65-F67 HydrophobicContact CG1-CD2 4.32Å; I65-F67 HydrophobicContact CG1-CE2 3.82Å; I65-F67 HydrophobicContact CG1-CZ 4.28Å; I65-F67 HydrophobicContact CG2-CE2 3.94Å; I65-V83 HydrophobicContact CD1-CG1 4.45Å; I65-V83 HydrophobicContact CD1-CG2 4.34Å; I65-L96 HydrophobicContact CG2-CD2 4.26Å; I65-T108 CarbonylContact O-C 3.16Å; I65-T108 WeakPolarHBondContact O-CA 3.42Å; I65-F109 HydrophobicContact CG2-CB 4.23Å; I65-F109 PolarHBondContact N-O 3.4Å; I65-F109 PolarHBondContact O-N 3.06Å; I65-L111 HydrophobicContact CB-CD1 4.06Å; I65-L111 HydrophobicContact CB-CG 4.43Å; I65-L111 HydrophobicContact CG2-CD1 4.1Å; I65-L111 HydrophobicContact CG2-CD2 3.67Å; I65-L111 HydrophobicContact CG2-CG 4Å; I65-I127 HydrophobicContact CD1-CD1 3.89Å; I65-I127 HydrophobicContact CD1-CG1 4.24Å; I65-I144 HydrophobicContact CD1-CD1 4.22Å; I65-I144 HydrophobicContact CD1-CG2 4.16Å; I65-I144 HydrophobicContact CG1-CD1 4.46Å; I65-I144 HydrophobicContact CG1-CG2 4.13Å; I65-E145 CarbonylContact C-O 3.58Å; I65-E145 WeakPolarHBondContact CA-O 3.25Å; I65-L146 HydrophobicContact CB-CD2 3.78Å; I65-L146 HydrophobicContact CD1-CD2 3.83Å; I65-L146 HydrophobicContact CG1-CD2 3.65Å
66T94.9Very high93.1Very high10 Ų1038.3 Ų38.36%0.06119%0.187CC..EExtended strand (participates in β ladder)trans-111.8132.2176-54.90000110K106 E107 T108 I144 E145T66-K106 HydrophobicContact CG2-CB 4.22Å; T66-E107 CarbonylContact C-O 3.58Å; T66-E107 VanDerWaalsContact CA-O 3.31Å; T66-E107 WeakPolarHBondContact CA-O 3.43Å; T66-T108 WeakPolarHBondContact CG2-OG1 3.35Å; T66-T108 WeakPolarHBondContact OG1-CG2 3.15Å; T66-T108 PolarHBondContact OG1-OG1 2.84Å; T66-I144 WeakPolarHBondContact O-CA 3.35Å; T66-E145 PolarHBondContact N-O 3.43Å; T66-E145 PolarHBondContact O-N 3Å
67F96.2Very high92.8Very high2 Ų238.2 Ų38.21%0.00919%0.187CC..EExtended strand (participates in β ladder)trans-104.6121.1172.9-69.1-100000109.4I65 F81 L100 K106 E107 F109 I127 I141 Y143 I144I65-F67 HydrophobicContact CD1-CE2 3.83Å; I65-F67 HydrophobicContact CD1-CZ 3.81Å; I65-F67 HydrophobicContact CG1-CD2 4.32Å; I65-F67 HydrophobicContact CG1-CE2 3.82Å; I65-F67 HydrophobicContact CG1-CZ 4.28Å; I65-F67 HydrophobicContact CG2-CE2 3.94Å; F67-F81 HydrophobicContact CD2-CZ 4.25Å; F67-F81 HydrophobicContact CE2-CE1 4.46Å; F67-F81 AromaticContact CE2-CE2 3.64Å; F67-F81 HydrophobicContact CE2-CE2 3.64Å; F67-F81 AromaticContact CE2-CZ 3.58Å; F67-F81 HydrophobicContact CE2-CZ 3.58Å; F67-F81 HydrophobicContact CZ-CD2 4.03Å; F67-F81 HydrophobicContact CZ-CE1 4.46Å; F67-F81 AromaticContact CZ-CE2 3.54Å; F67-F81 HydrophobicContact CZ-CE2 3.54Å; F67-F81 AromaticContact CZ-CZ 3.8Å; F67-F81 HydrophobicContact CZ-CZ 3.8Å; F67-L100 HydrophobicContact CB-CD1 3.99Å; F67-L100 HydrophobicContact CB-CD2 3.72Å; F67-L100 HydrophobicContact CD1-CD1 3.99Å; F67-L100 HydrophobicContact CD1-CD2 4.37Å; F67-L100 HydrophobicContact CD2-CD2 3.95Å; F67-L100 HydrophobicContact CG-CD1 4.1Å; F67-L100 HydrophobicContact CG-CD2 3.76Å; F67-L100 HydrophobicContact CG-CG 4.49Å; F67-K106 WeakPolarHBondContact O-CA 3.46Å; F67-E107 PolarHBondContact N-O 2.9Å; F67-E107 PolarHBondContact O-N 3.42Å; F67-E107 VanDerWaalsContact O-N 3.09Å; F67-F109 HydrophobicContact CD2-CD2 4.04Å; F67-F109 HydrophobicContact CD2-CE2 4.02Å; F67-F109 HydrophobicContact CE2-CD2 4.21Å; F67-F109 HydrophobicContact CE2-CE2 4.43Å; F67-I127 HydrophobicContact CE1-CD1 4.4Å; F67-I127 HydrophobicContact CE1-CG2 4.25Å; F67-I127 HydrophobicContact CZ-CD1 4.44Å; F67-I127 HydrophobicContact CZ-CG2 4.24Å; F67-I141 HydrophobicContact CD1-CG2 4.45Å; F67-Y143 WeakPolarHBondContact CA-O 2.89Å; F67-I144 HydrophobicContact CD1-CD1 3.36Å; F67-I144 HydrophobicContact CD2-CD1 4.5Å; F67-I144 HydrophobicContact CE1-CD1 3.35Å; F67-I144 HydrophobicContact CE2-CD1 4.49Å; F67-I144 HydrophobicContact CG-CD1 3.98Å; F67-I144 HydrophobicContact CZ-CD1 3.95Å
68G93.3Very high92.6Very high1 Ų132.4 Ų32.41%0.0116%0.16CC..EExtended strand (participates in β ladder)trans-77.4166.816600000111.8W142 Y143G68-W142 WeakPolarHBondContact O-CB 3.29Å; G68-Y143 PolarHBondContact N-O 3.48Å
69K91.4Very high92.2Very high3 Ų328.4 Ų28.41%0.01315%0.147CC..  trans-142.2160.1-176-60-166.8-167.3172.30111.2P34 K101 D103 N105 E107P34-K69 VanDerWaalsContact CB-O 3.31Å; P34-K69 WeakPolarHBondContact CB-O 3.48Å; K69-K101 PolarHBondContact NZ-O 3.47Å; K69-D103 WeakPolarHBondContact CD-O 3.28Å; K69-D103 IonicContact NZ-OD1 3.67Å; K69-D103 PolarHBondContact NZ-OD1 3.19Å; K69-N105 WeakPolarHBondContact CD-O 3.28Å; K69-N105 WeakPolarHBondContact CE-O 3.44Å; K69-N105 PolarHBondContact NZ-O 3.49Å; K69-E107 WeakPolarHBondContact CE-OE1 3.38Å; K69-E107 IonicContact NZ-OE1 2.73Å; K69-E107 PolarHBondContact NZ-OE1 3.48Å
70Y91.9Very high91.9Very high30 Ų3031.1 Ų31.112%0.11816%0.155CC..  trans-67.1151.9170.6-170.5-123.3000111.2P34 Q37 K72 Y104 W142P34-Y70 WeakPolarHBondContact O-CD2 3.3Å; P34-Y70 WeakPolarHBondContact O-CE2 3.23Å; Q37-Y70 HydrophobicContact CB-CE2 3.92Å; Q37-Y70 HydrophobicContact CG-CE2 4.42Å; Y70-K72 HydrophobicContact CD1-CB 3.94Å; Y70-K72 WeakPolarHBondContact CD1-O 3.31Å; Y70-K72 HydrophobicContact CE1-CB 3.95Å; Y70-K72 HydrophobicContact CE1-CD 4.48Å; Y70-K72 HydrophobicContact CE1-CG 4.49Å; Y70-K72 PolarHBondContact O-N 3.11Å; Y70-Y104 WeakPolarHBondContact O-CA 3.42Å; Y70-Y104 VanDerWaalsContact O-CB 3.24Å; Y70-Y104 WeakPolarHBondContact O-CB 3.48Å; Y70-W142 VanDerWaalsContact CB-CH2 3.47Å; Y70-W142 HydrophobicContact CD1-CH2 4.27Å; Y70-W142 HydrophobicContact CD2-CE3 4.26Å; Y70-W142 AromaticContact CD2-CH2 3.75Å; Y70-W142 HydrophobicContact CD2-CH2 3.75Å; Y70-W142 AromaticContact CD2-CZ3 3.53Å; Y70-W142 HydrophobicContact CD2-CZ3 3.53Å; Y70-W142 HydrophobicContact CE2-CZ3 4.44Å; Y70-W142 HydrophobicContact CG-CE3 4.45Å; Y70-W142 AromaticContact CG-CH2 3.57Å; Y70-W142 HydrophobicContact CG-CH2 3.57Å; Y70-W142 HydrophobicContact CG-CZ2 4.09Å; Y70-W142 AromaticContact CG-CZ3 3.79Å; Y70-W142 HydrophobicContact CG-CZ3 3.79Å
71E88.3Confident91.8Very high71 Ų7131 Ų3133%0.33215%0.154SC..SBendtrans-56.1-15.4178.557.2156-15200114.1P34 N35 Y104P34-E71 WeakPolarHBondContact O-CG 3.46Å; P34-E71 PolarHBondContact O-N 3.34Å; N35-E71 PolarHBondContact OD1-OE2 2.82Å; E71-Y104 WeakPolarHBondContact O-CB 3.24Å
72K87.8Confident91.7Very high123 Ų12333.9 Ų33.954%0.53517%0.166SC..SBendtrans-131.3160.8178.4-64.6169.4-170.5156.80110.6Y70 H74Y70-K72 HydrophobicContact CD1-CB 3.94Å; Y70-K72 WeakPolarHBondContact CD1-O 3.31Å; Y70-K72 HydrophobicContact CE1-CB 3.95Å; Y70-K72 HydrophobicContact CE1-CD 4.48Å; Y70-K72 HydrophobicContact CE1-CG 4.49Å; Y70-K72 PolarHBondContact O-N 3.11Å; K72-H74 PolarHBondContact O-N 2.81Å
73T87Confident91.7Very high92 Ų9233.8 Ų33.856%0.56417%0.166SC*.  trans-55.9140.6171.266.70000110.2N102T73-N102 WeakPolarHBondContact CG2-O 3.33Å
74H88.6Confident91.9Very high24 Ų2433.9 Ų33.911%0.11117%0.165CC..  trans-142.8128.8-176.2-162.1-74.1000111.3Q37 R40 K72 C76 N77 N102 W142Q37-H74 PolarHBondContact NE2-NE2 2.95Å; R40-H74 PolarHBondContact NH1-CE1 3.2Å; R40-H74 PolarHBondContact NH1-ND1 2.72Å; R40-H74 PolarHBondContact NH1-NE2 3.11Å; K72-H74 PolarHBondContact O-N 2.81Å; H74-C76 PolarHBondContact CE1-SG 3.05Å; H74-C76 WeakPolarHBondContact ND1-CB 3.16Å; H74-C76 PolarHBondContact ND1-N 3.47Å; H74-C76 VanDerWaalsContact ND1-N 3.17Å; H74-C76 PolarHBondContact O-N 2.75Å; H74-C76 VanDerWaalsContact O-N 3.14Å; H74-N77 VanDerWaalsContact O-CB 3.27Å; H74-N77 WeakPolarHBondContact O-CB 3.33Å; H74-N77 VanDerWaalsContact O-CG 3.24Å; H74-N77 PolarHBondContact O-N 3.49Å; H74-N77 PolarHBondContact O-ND2 2.83Å; H74-N102 PolarHBondContact N-OD1 2.87Å; H74-N102 PolarHBondContact O-OD1 3.33Å; H74-W142 HydrophobicContact CB-CZ2 3.9Å; H74-W142 AromaticContact CD2-CZ2 3.9Å; H74-W142 AromaticContact CG-CZ2 3.68Å
75V89.1Confident92.1Very high56 Ų5632.9 Ų32.934%0.33916%0.158SC..THydrogen-bonded Turntrans-58.9-29.1-176.1-68.50000114N77 W133 G134 F137V75-N77 VanDerWaalsContact C-N 3.28Å; V75-N77 PolarHBondContact O-N 2.87Å; V75-W133 CarbonylContact O-C 3.57Å; V75-W133 PolarHBondContact O-N 3.44Å; V75-W133 VanDerWaalsContact O-N 3.16Å; V75-G134 PolarHBondContact O-N 3.04Å; V75-F137 HydrophobicContact CB-CD1 4.4Å; V75-F137 HydrophobicContact CB-CD2 3.98Å; V75-F137 HydrophobicContact CB-CE2 4.23Å; V75-F137 HydrophobicContact CB-CG 4.05Å; V75-F137 HydrophobicContact CG2-CB 4.28Å; V75-F137 HydrophobicContact CG2-CD1 3.41Å; V75-F137 VanDerWaalsContact CG2-CD1 3.41Å; V75-F137 HydrophobicContact CG2-CD2 3.81Å; V75-F137 HydrophobicContact CG2-CE1 3.54Å; V75-F137 HydrophobicContact CG2-CE2 3.92Å; V75-F137 HydrophobicContact CG2-CG 3.55Å; V75-F137 HydrophobicContact CG2-CZ 3.78Å
76C89Confident92Very high9 Ų932.9 Ų32.96%0.06116%0.158CC..THydrogen-bonded Turntrans-76.9-3.9176.5-54.80000115.2H74 N138 S140H74-C76 PolarHBondContact CE1-SG 3.05Å; H74-C76 WeakPolarHBondContact ND1-CB 3.16Å; H74-C76 PolarHBondContact ND1-N 3.47Å; H74-C76 VanDerWaalsContact ND1-N 3.17Å; H74-C76 PolarHBondContact O-N 2.75Å; H74-C76 VanDerWaalsContact O-N 3.14Å; C76-N138 WeakPolarHBondContact CA-O 3.41Å; C76-N138 WeakPolarHBondContact CB-O 3.39Å; C76-S140 WeakPolarHBondContact CB-OG 3.3Å; C76-S140 PolarHBondContact O-N 2.99Å
77N89.9Confident92Very high1 Ų135 Ų351%0.00517%0.168CC..SBendtrans-59142.3176.7-74-9.6000110.6H74 V75 K79 N102 S132 W133 W142H74-N77 VanDerWaalsContact O-CB 3.27Å; H74-N77 WeakPolarHBondContact O-CB 3.33Å; H74-N77 VanDerWaalsContact O-CG 3.24Å; H74-N77 PolarHBondContact O-N 3.49Å; H74-N77 PolarHBondContact O-ND2 2.83Å; V75-N77 VanDerWaalsContact C-N 3.28Å; V75-N77 PolarHBondContact O-N 2.87Å; N77-K79 PolarHBondContact O-N 3.43Å; N77-K79 VanDerWaalsContact O-N 3.1Å; N77-N102 PolarHBondContact ND2-OD1 2.96Å; N77-S132 CarbonylContact O-C 3.53Å; N77-S132 VanDerWaalsContact O-CA 3.3Å; N77-S132 WeakPolarHBondContact O-CA 3.3Å; N77-W133 PolarHBondContact O-N 2.93Å; N77-W142 PolarHBondContact OD1-NE1 2.87Å
78L91.5Very high91.8Very high0 Ų036.6 Ų36.60%018%0.18CC..EExtended strand (participates in β ladder)trans-72.9101.9-175.7-55.5-170.7000111.3F81 L100 P129 M131 F139 I141L78-F81 HydrophobicContact CB-CD1 4.04Å; L78-F81 HydrophobicContact CD1-CB 4.05Å; L78-F81 HydrophobicContact CD1-CD1 4.36Å; L78-F81 HydrophobicContact CD1-CG 4.35Å; L78-L100 HydrophobicContact CB-CD1 4.12Å; L78-L100 HydrophobicContact CB-CG 4.34Å; L78-L100 WeakPolarHBondContact O-CA 3.5Å; L78-L100 VanDerWaalsContact O-CB 3.25Å; L78-L100 WeakPolarHBondContact O-CB 3.2Å; L78-L100 PolarHBondContact O-N 3.4Å; L78-P129 HydrophobicContact CD1-CB 4.38Å; L78-P129 HydrophobicContact CD1-CG 4.03Å; L78-P129 HydrophobicContact CD2-CB 3.82Å; L78-P129 HydrophobicContact CD2-CG 4.03Å; L78-M131 CarbonylContact C-O 3.56Å; L78-F139 HydrophobicContact CD2-CB 3.73Å; L78-F139 HydrophobicContact CD2-CD1 4.11Å; L78-F139 HydrophobicContact CD2-CG 4.33Å; L78-I141 HydrophobicContact CD1-CD1 4.03Å; L78-I141 HydrophobicContact CD1-CG1 3.71Å; L78-I141 HydrophobicContact CG-CG1 4.4Å
79K87.1Confident91.5Very high71 Ų7139.2 Ų39.231%0.30919%0.192SC..EExtended strand (participates in β ladder)trans-70.3-33173.3-172.4178.3170.4-170.90112.6N77 G99 M131 W133N77-K79 PolarHBondContact O-N 3.43Å; N77-K79 VanDerWaalsContact O-N 3.1Å; K79-G99 WeakPolarHBondContact O-CA 3.2Å; K79-M131 WeakPolarHBondContact CA-O 3.36Å; K79-M131 HydrophobicContact CB-CB 4.48Å; K79-M131 HydrophobicContact CB-CE 4.19Å; K79-M131 HydrophobicContact CB-CG 4.29Å; K79-M131 HydrophobicContact CD-CE 3.53Å; K79-M131 HydrophobicContact CD-CG 4.42Å; K79-M131 HydrophobicContact CD-SD 4.06Å; K79-M131 HydrophobicContact CG-CE 3.75Å; K79-M131 PolarHBondContact N-O 2.98Å; K79-W133 HydrophobicContact CB-CD2 4.25Å; K79-W133 HydrophobicContact CB-CG 4.06Å; K79-W133 HydrophobicContact CD-CD2 4.13Å; K79-W133 HydrophobicContact CD-CE3 4.2Å; K79-W133 HydrophobicContact CG-CD2 4.15Å; K79-W133 HydrophobicContact CG-CG 4.48Å; K79-W133 HydrophobicContact CG-CZ2 4.27Å
80K89.8Confident91.2Very high92 Ų9246.7 Ų46.740%0.423%0.227SC..EExtended strand (participates in β ladder)trans-141140170.8-68-171.3-175.2-177.30110.6S98 L130 M131K80-S98 CarbonylContact C-O 3.49Å; K80-S98 WeakPolarHBondContact CA-O 3.45Å; K80-L130 HydrophobicContact CB-CB 4.02Å; K80-L130 WeakPolarHBondContact O-CA 3.45Å; K80-L130 WeakPolarHBondContact O-CB 3.44Å; K80-L130 PolarHBondContact O-N 2.85Å; K80-M131 HydrophobicContact CB-CB 4.02Å; K80-M131 HydrophobicContact CB-CE 4.25Å; K80-M131 HydrophobicContact CD-CE 3.55Å; K80-M131 HydrophobicContact CG-CB 4.46Å; K80-M131 HydrophobicContact CG-CE 3.53Å; K80-M131 PolarHBondContact N-O 3.38Å; K80-M131 PolarHBondContact O-N 2.86Å
81F93.8Very high90.7Very high0 Ų049.9 Ų49.90%025%0.246CC..EExtended strand (participates in β ladder)trans-154162.7175.865.7-91000111.1F67 L78 V83 L96 S98 L100 F109 V128F67-F81 HydrophobicContact CD2-CZ 4.25Å; F67-F81 HydrophobicContact CE2-CE1 4.46Å; F67-F81 AromaticContact CE2-CE2 3.64Å; F67-F81 HydrophobicContact CE2-CE2 3.64Å; F67-F81 AromaticContact CE2-CZ 3.58Å; F67-F81 HydrophobicContact CE2-CZ 3.58Å; F67-F81 HydrophobicContact CZ-CD2 4.03Å; F67-F81 HydrophobicContact CZ-CE1 4.46Å; F67-F81 AromaticContact CZ-CE2 3.54Å; F67-F81 HydrophobicContact CZ-CE2 3.54Å; F67-F81 AromaticContact CZ-CZ 3.8Å; F67-F81 HydrophobicContact CZ-CZ 3.8Å; L78-F81 HydrophobicContact CB-CD1 4.04Å; L78-F81 HydrophobicContact CD1-CB 4.05Å; L78-F81 HydrophobicContact CD1-CD1 4.36Å; L78-F81 HydrophobicContact CD1-CG 4.35Å; F81-V83 HydrophobicContact CD2-CG2 3.89Å; F81-V83 HydrophobicContact CE2-CG2 3.76Å; F81-L96 HydrophobicContact CE2-CD2 3.99Å; F81-L96 HydrophobicContact CZ-CD2 4.39Å; F81-S98 PolarHBondContact N-O 3.2Å; F81-S98 PolarHBondContact O-N 3.43Å; F81-L100 HydrophobicContact CD1-CG 4.34Å; F81-L100 HydrophobicContact CE1-CD2 3.79Å; F81-L100 HydrophobicContact CE1-CG 3.76Å; F81-L100 HydrophobicContact CZ-CD2 4.24Å; F81-F109 HydrophobicContact CZ-CD2 4.24Å; F81-F109 AromaticContact CZ-CE2 3.96Å; F81-F109 HydrophobicContact CZ-CE2 3.96Å; F81-F109 HydrophobicContact CZ-CZ 4.37Å; F81-V128 CarbonylContact C-O 3.49Å; F81-V128 VanDerWaalsContact CA-O 3.22Å; F81-V128 WeakPolarHBondContact CA-O 3.33Å; F81-V128 WeakPolarHBondContact CB-O 3.49Å
82K95.8Very high90.8Very high60 Ų6048.1 Ų48.126%0.26124%0.238SC..EExtended strand (participates in β ladder)trans-121.4150168.6-73.5179.8171.5-150.60110.7F84 E94 L96 V128 L130K82-F84 HydrophobicContact CB-CD2 4.31Å; K82-F84 HydrophobicContact CB-CE2 3.54Å; K82-F84 HydrophobicContact CB-CZ 4.04Å; K82-F84 HydrophobicContact CD-CE2 4.23Å; K82-F84 HydrophobicContact CD-CZ 3.91Å; K82-E94 WeakPolarHBondContact CD-OE2 3.39Å; K82-E94 WeakPolarHBondContact CE-OE2 3.45Å; K82-E94 IonicContact NZ-OE1 2.75Å; K82-E94 IonicContact NZ-OE2 3.4Å; K82-E94 PolarHBondContact NZ-OE2 3.37Å; K82-L96 CarbonylContact C-O 3.46Å; K82-L96 VanDerWaalsContact CA-O 3.31Å; K82-L96 WeakPolarHBondContact CA-O 3.31Å; K82-V128 HydrophobicContact CB-CB 4.47Å; K82-V128 PolarHBondContact N-O 3.07Å; K82-V128 PolarHBondContact O-N 3.09Å; K82-L130 HydrophobicContact CD-CD1 4.17Å; K82-L130 HydrophobicContact CG-CD1 3.9Å
83V97.2Very high90.9Very high0 Ų044.2 Ų44.20%023%0.225CC..EExtended strand (participates in β ladder)trans-119.7130.6171.9-173.30000107.9I65 F81 L95 L96 L111 V125 K126I65-V83 HydrophobicContact CD1-CG1 4.45Å; I65-V83 HydrophobicContact CD1-CG2 4.34Å; F81-V83 HydrophobicContact CD2-CG2 3.89Å; F81-V83 HydrophobicContact CE2-CG2 3.76Å; V83-L95 PolarHBondContact O-N 2.97Å; V83-L96 HydrophobicContact CB-CB 4.15Å; V83-L96 HydrophobicContact CG2-CB 4.35Å; V83-L96 HydrophobicContact CG2-CD2 4.23Å; V83-L96 PolarHBondContact N-O 3.24Å; V83-L96 PolarHBondContact O-N 3.05Å; V83-L111 HydrophobicContact CB-CD2 4.28Å; V83-L111 HydrophobicContact CG1-CD2 4.25Å; V83-V125 HydrophobicContact CG1-CG1 3.64Å; V83-K126 CarbonylContact C-O 3.55Å; V83-K126 WeakPolarHBondContact CA-O 3.46Å
84F97.9Very high91.3Very high45 Ų4543.4 Ų43.420%0.19722%0.215CC..EExtended strand (participates in β ladder)trans-119.6154175.1-58.2-99.4000109.3K82 M92 T93 E94 V125 K126 V128K82-F84 HydrophobicContact CB-CD2 4.31Å; K82-F84 HydrophobicContact CB-CE2 3.54Å; K82-F84 HydrophobicContact CB-CZ 4.04Å; K82-F84 HydrophobicContact CD-CE2 4.23Å; K82-F84 HydrophobicContact CD-CZ 3.91Å; F84-M92 HydrophobicContact CB-CB 3.71Å; F84-M92 HydrophobicContact CB-SD 3.94Å; F84-T93 CarbonylContact C-O 3.58Å; F84-T93 WeakPolarHBondContact CA-O 3.4Å; F84-E94 HydrophobicContact CD1-CB 3.87Å; F84-E94 HydrophobicContact CD1-CG 4.4Å; F84-E94 HydrophobicContact CE1-CB 3.7Å; F84-E94 HydrophobicContact CE1-CG 4.04Å; F84-E94 HydrophobicContact CZ-CG 4.4Å; F84-V125 CarbonylContact O-C 3.5Å; F84-V125 VanDerWaalsContact O-CA 3.29Å; F84-V125 WeakPolarHBondContact O-CA 3.34Å; F84-K126 HydrophobicContact CB-CB 4.28Å; F84-K126 PolarHBondContact N-O 2.95Å; F84-K126 PolarHBondContact O-N 2.79Å; F84-V128 HydrophobicContact CD2-CG2 3.88Å; F84-V128 HydrophobicContact CE2-CB 4.25Å; F84-V128 HydrophobicContact CE2-CG2 3.71Å
85G97Very high91.6Very high0 Ų042.7 Ų42.70%021%0.211CC..EExtended strand (participates in β ladder)trans-150.2153.3172.900000112.5M92 T93 F124G85-M92 WeakPolarHBondContact O-CA 3.4Å; G85-T93 PolarHBondContact N-O 2.99Å; G85-T93 PolarHBondContact O-N 3.47Å; G85-F124 WeakPolarHBondContact CA-O 3.19Å
86G95Very high91.7Very high0 Ų041.4 Ų41.40%020%0.203CC..EExtended strand (participates in β ladder)trans-177.6178.8-178.100000112.7R123 F124G86-R123 PolarHBondContact O-N 3.07Å; G86-F124 PolarHBondContact N-O 2.93Å; G86-F124 PolarHBondContact O-N 3.36Å
87M94.1Very high91.7Very high55 Ų5544.4 Ų44.427%0.27122%0.223SC..SBendtrans-83-15.8178.7-70.2-59.8-62.100113.3P59 P121 R123 F124 L159 Y162P59-M87 HydrophobicContact CB-CE 4.27Å; P59-M87 HydrophobicContact CB-SD 4.37Å; P59-M87 HydrophobicContact CG-CE 4.21Å; M87-P121 HydrophobicContact SD-CB 4.16Å; M87-P121 HydrophobicContact SD-CG 4.06Å; M87-R123 HydrophobicContact CE-CB 4.16Å; M87-R123 HydrophobicContact SD-CB 4.01Å; M87-F124 WeakPolarHBondContact O-CE2 3.18Å; M87-L159 HydrophobicContact CE-CD2 3.38Å; M87-L159 HydrophobicContact SD-CD2 3.69Å; M87-Y162 HydrophobicContact CG-CD1 4.19Å; M87-Y162 HydrophobicContact CG-CE1 4.06Å
88S91.3Very high91.6Very high36 Ų3645.3 Ų45.325%0.25223%0.23SC..SBendtrans-127.8161.7173.472.60000111.7E90 N91 M92S88-E90 VanDerWaalsContact C-N 3.31Å; S88-E90 PolarHBondContact O-N 2.96Å; S88-N91 PolarHBondContact OG-N 3.44Å; S88-M92 WeakPolarHBondContact O-CG 3.45Å
89E88.9Confident91.3Very high56 Ų5646 Ų4626%0.26224%0.237SC..SBendtrans-74-21-178.672.117413300113.9F15 K16 I53 M92F15-E89 HydrophobicContact CE1-CB 4.18Å; F15-E89 HydrophobicContact CE1-CG 4.49Å; F15-E89 WeakPolarHBondContact CE1-OE2 3.39Å; K16-E89 VanDerWaalsContact CD-OE2 3.28Å; K16-E89 WeakPolarHBondContact CD-OE2 3.4Å; K16-E89 IonicContact NZ-OE2 3.45Å; K16-E89 PolarHBondContact NZ-OE2 2.93Å; I53-E89 HydrophobicContact CD1-CB 4.38Å; E89-M92 HydrophobicContact CB-CE 4.42Å; E89-M92 WeakPolarHBondContact O-CE 3.19Å
90E83.3Confident91.1Very high159 Ų15943 Ų4374%0.74322%0.224SC*.SBendtrans-96-34.5-173.7-59.5178.116800112.3S88S88-E90 VanDerWaalsContact C-N 3.31Å; S88-E90 PolarHBondContact O-N 2.96Å
91N82.3Confident90.5Very high97 Ų9740.3 Ų40.352%0.51921%0.213SC..SBendtrans-116.186.2-173.3-65.7-54.5000110S88S88-N91 PolarHBondContact OG-N 3.44Å
92M91.1Very high90.1Very high34 Ų3442.5 Ų42.517%0.16723%0.225CC..  trans-115.8150.8-179.3-59.6-169.2-171.700112.1I53 F84 G85 S88 E89 F124 K126I53-M92 HydrophobicContact CD1-CE 4.49Å; I53-M92 HydrophobicContact CG2-CE 3.99Å; F84-M92 HydrophobicContact CB-CB 3.71Å; F84-M92 HydrophobicContact CB-SD 3.94Å; G85-M92 WeakPolarHBondContact O-CA 3.4Å; S88-M92 WeakPolarHBondContact O-CG 3.45Å; E89-M92 HydrophobicContact CB-CE 4.42Å; E89-M92 WeakPolarHBondContact O-CE 3.19Å; M92-F124 HydrophobicContact CE-CB 3.48Å; M92-F124 VanDerWaalsContact CE-CB 3.48Å; M92-F124 HydrophobicContact CE-CG 4.44Å; M92-K126 HydrophobicContact CE-CB 3.88Å; M92-K126 HydrophobicContact SD-CB 3.42Å; M92-K126 WeakPolarHBondContact SD-CB 3.47Å; M92-K126 HydrophobicContact SD-CD 4.43Å
93T90.3Very high89.6Confident42 Ų4241 Ų4126%0.25822%0.219SC..EExtended strand (participates in β ladder)trans-93.1138.8173-56.20000109.9F84 G85 L95F84-T93 CarbonylContact C-O 3.58Å; F84-T93 WeakPolarHBondContact CA-O 3.4Å; G85-T93 PolarHBondContact N-O 2.99Å; G85-T93 PolarHBondContact O-N 3.47Å; T93-L95 WeakPolarHBondContact O-CD2 3.08Å; T93-L95 PolarHBondContact O-N 3.29Å
94E95.3Very high88.8Confident75 Ų7547.9 Ų47.935%0.3525%0.246SC..EExtended strand (participates in β ladder)trans-64.4119.2171.3-170.9173.4128.900109.4K82 F84 S97K82-E94 WeakPolarHBondContact CD-OE2 3.39Å; K82-E94 WeakPolarHBondContact CE-OE2 3.45Å; K82-E94 IonicContact NZ-OE1 2.75Å; K82-E94 IonicContact NZ-OE2 3.4Å; K82-E94 PolarHBondContact NZ-OE2 3.37Å; F84-E94 HydrophobicContact CD1-CB 3.87Å; F84-E94 HydrophobicContact CD1-CG 4.4Å; F84-E94 HydrophobicContact CE1-CB 3.7Å; F84-E94 HydrophobicContact CE1-CG 4.04Å; F84-E94 HydrophobicContact CZ-CG 4.4Å; E94-S97 WeakPolarHBondContact OE1-CB 3.34Å
95L93.9Very high88.1Confident9 Ų949.8 Ų49.85%0.04726%0.258CS..EExtended strand (participates in β ladder)trans-96.9-30.2-179.1-49.6-174.6000112.4V83 T93 L111 K112 F120V83-L95 PolarHBondContact O-N 2.97Å; T93-L95 WeakPolarHBondContact O-CD2 3.08Å; T93-L95 PolarHBondContact O-N 3.29Å; L95-L111 HydrophobicContact CB-CB 4.19Å; L95-L111 HydrophobicContact CB-CD2 4.03Å; L95-L111 HydrophobicContact CD1-CD1 4.12Å; L95-K112 WeakPolarHBondContact CD2-O 3.37Å; L95-K112 WeakPolarHBondContact O-CB 3.32Å; L95-K112 PolarHBondContact O-N 3.3Å; L95-F120 HydrophobicContact CD2-CE2 3.82Å; L95-F120 HydrophobicContact CD2-CZ 3.69Å
96L91.3Very high87.6Confident29 Ų2955.2 Ų55.215%0.15228%0.282CS..EExtended strand (participates in β ladder)trans-160140.4-176.2176.869.8000110.8I65 F81 K82 V83 F109 L111I65-L96 HydrophobicContact CG2-CD2 4.26Å; F81-L96 HydrophobicContact CE2-CD2 3.99Å; F81-L96 HydrophobicContact CZ-CD2 4.39Å; K82-L96 CarbonylContact C-O 3.46Å; K82-L96 VanDerWaalsContact CA-O 3.31Å; K82-L96 WeakPolarHBondContact CA-O 3.31Å; V83-L96 HydrophobicContact CB-CB 4.15Å; V83-L96 HydrophobicContact CG2-CB 4.35Å; V83-L96 HydrophobicContact CG2-CD2 4.23Å; V83-L96 PolarHBondContact N-O 3.24Å; V83-L96 PolarHBondContact O-N 3.05Å; L96-F109 HydrophobicContact CD1-CB 4.39Å; L96-F109 HydrophobicContact CD2-CB 3.42Å; L96-F109 VanDerWaalsContact CD2-CB 3.42Å; L96-F109 HydrophobicContact CD2-CD1 4.32Å; L96-F109 HydrophobicContact CD2-CD2 4.31Å; L96-F109 HydrophobicContact CD2-CG 3.77Å; L96-L111 HydrophobicContact CB-CD2 3.53Å; L96-L111 HydrophobicContact CD2-CD2 3.89Å; L96-L111 HydrophobicContact CG-CD2 4.32Å
97S89.5Confident87.3Confident71 Ų7156 Ų5650%0.49729%0.286SS..EExtended strand (participates in β ladder)trans-124.4115.6163.9179.80000107.8E94E94-S97 WeakPolarHBondContact OE1-CB 3.34Å
98S87.6Confident87Confident21 Ų2157.5 Ų57.515%0.14730%0.298CS..EExtended strand (participates in β ladder)trans-154.3-167.8-170.8-164.60000112K80 F81 F109K80-S98 CarbonylContact C-O 3.49Å; K80-S98 WeakPolarHBondContact CA-O 3.45Å; F81-S98 PolarHBondContact N-O 3.2Å; F81-S98 PolarHBondContact O-N 3.43Å; S98-F109 WeakPolarHBondContact OG-CE1 3.23Å
99G84.6Confident86.5Confident15 Ų1557.1 Ų57.116%0.15529%0.292CS..  trans-156.6146.2178.600000111.3K79K79-G99 WeakPolarHBondContact O-CA 3.2Å
100L83.4Confident86.5Confident7 Ų759.7 Ų59.74%0.03731%0.312CS..  trans-86.9144.6175.6-56177.9000110.7F67 L78 F81 E107 F109 W133F67-L100 HydrophobicContact CB-CD1 3.99Å; F67-L100 HydrophobicContact CB-CD2 3.72Å; F67-L100 HydrophobicContact CD1-CD1 3.99Å; F67-L100 HydrophobicContact CD1-CD2 4.37Å; F67-L100 HydrophobicContact CD2-CD2 3.95Å; F67-L100 HydrophobicContact CG-CD1 4.1Å; F67-L100 HydrophobicContact CG-CD2 3.76Å; F67-L100 HydrophobicContact CG-CG 4.49Å; L78-L100 HydrophobicContact CB-CD1 4.12Å; L78-L100 HydrophobicContact CB-CG 4.34Å; L78-L100 WeakPolarHBondContact O-CA 3.5Å; L78-L100 VanDerWaalsContact O-CB 3.25Å; L78-L100 WeakPolarHBondContact O-CB 3.2Å; L78-L100 PolarHBondContact O-N 3.4Å; F81-L100 HydrophobicContact CD1-CG 4.34Å; F81-L100 HydrophobicContact CE1-CD2 3.79Å; F81-L100 HydrophobicContact CE1-CG 3.76Å; F81-L100 HydrophobicContact CZ-CD2 4.24Å; L100-E107 VanDerWaalsContact CA-OE1 3.26Å; L100-E107 WeakPolarHBondContact CA-OE1 3.45Å; L100-E107 HydrophobicContact CD2-CB 4.23Å; L100-F109 HydrophobicContact CD2-CE2 3.67Å; L100-F109 HydrophobicContact CD2-CZ 4.05Å; L100-W133 PolarHBondContact O-NE1 2.9Å
101K77.2Confident86.7Confident35 Ų3552.2 Ų52.215%0.15228%0.277CS..  trans-67.9151.6165.7-50.8171.7-148.6-63.10110.2K69 D103 E107 D507 T509K69-K101 PolarHBondContact NZ-O 3.47Å; K101-D103 VanDerWaalsContact C-N 3.32Å; K101-D103 WeakPolarHBondContact CB-OD2 3.47Å; K101-D103 WeakPolarHBondContact CD-OD2 3.29Å; K101-D103 PolarHBondContact O-N 2.88Å; K101-E107 WeakPolarHBondContact CE-OE2 3.24Å; K101-E107 WeakPolarHBondContact CG-OE2 3.38Å; K101-E107 PolarHBondContact N-OE1 3.42Å; K101-E107 IonicContact NZ-OE2 3.54Å; K101-D507 WeakPolarHBondContact CD-OD2 3.4Å; K101-D507 WeakPolarHBondContact CE-OD2 3.45Å; K101-D507 IonicContact NZ-OD1 2.71Å; K101-D507 PolarHBondContact NZ-OD1 3.32Å; K101-D507 IonicContact NZ-OD2 3.8Å; K101-D507 PolarHBondContact NZ-OD2 3.41Å; K101-T509 HydrophobicContact CD-CG2 4.12Å; K101-T509 WeakPolarHBondContact CD-OG1 3.46Å; K101-T509 VanDerWaalsContact CG-OG1 3.23Å; K101-T509 WeakPolarHBondContact CG-OG1 3.49Å; K101-T509 PolarHBondContact NZ-OG1 3.16Å
102N85.4Confident87.1Confident47 Ų4753 Ų5325%0.25128%0.276SS..SBendtrans-9067.2173.7-164.319.6000111.9T73 H74 N77 W133T73-N102 WeakPolarHBondContact CG2-O 3.33Å; H74-N102 PolarHBondContact N-OD1 2.87Å; H74-N102 PolarHBondContact O-OD1 3.33Å; N77-N102 PolarHBondContact ND2-OD1 2.96Å; N102-W133 HydrophobicContact CB-CB 4.49Å; N102-W133 HydrophobicContact CB-CD2 3.7Å; N102-W133 HydrophobicContact CB-CE3 4.35Å; N102-W133 HydrophobicContact CB-CG 3.74Å; N102-W133 HydrophobicContact CB-CZ2 4.29Å
103D84.3Confident87.2Confident28 Ų2853.1 Ų53.115%0.1528%0.276CS..SBendtrans-136.1-167.7175.960.632.2000110.5K69 K101 N105K69-D103 WeakPolarHBondContact CD-O 3.28Å; K69-D103 IonicContact NZ-OD1 3.67Å; K69-D103 PolarHBondContact NZ-OD1 3.19Å; K101-D103 VanDerWaalsContact C-N 3.32Å; K101-D103 WeakPolarHBondContact CB-OD2 3.47Å; K101-D103 WeakPolarHBondContact CD-OD2 3.29Å; K101-D103 PolarHBondContact O-N 2.88Å; D103-N105 PolarHBondContact OD1-N 2.91Å; D103-N105 VanDerWaalsContact OD1-N 3.08Å
104Y81.7Confident87.2Confident145 Ų14555 Ų5557%0.56928%0.28SS*.SBendtrans-102.7-0.918059.6-96.6000113.5Y70 E71Y70-Y104 WeakPolarHBondContact O-CA 3.42Å; Y70-Y104 VanDerWaalsContact O-CB 3.24Å; Y70-Y104 WeakPolarHBondContact O-CB 3.48Å; E71-Y104 WeakPolarHBondContact O-CB 3.24Å
105N82.4Confident86.8Confident84 Ų8452.7 Ų52.745%0.44927%0.27SS..SBendtrans-82.4133.6-175.9-65.9-46.5000110.1K69 D103K69-N105 WeakPolarHBondContact CD-O 3.28Å; K69-N105 WeakPolarHBondContact CE-O 3.44Å; K69-N105 PolarHBondContact NZ-O 3.49Å; D103-N105 PolarHBondContact OD1-N 2.91Å; D103-N105 VanDerWaalsContact OD1-N 3.08Å
106K87.8Confident86.2Confident114 Ų11458.6 Ų58.650%0.49630%0.302SS..  trans-60.4145.2172-57.9-171.6179178.90109.8D32 T66 F67D32-K106 WeakPolarHBondContact OD2-CE 3.32Å; D32-K106 IonicContact OD2-NZ 3.89Å; D32-K106 PolarHBondContact OD2-NZ 3.39Å; T66-K106 HydrophobicContact CG2-CB 4.22Å; F67-K106 WeakPolarHBondContact O-CA 3.46Å
107E87.1Confident85.8Confident17 Ų1764.1 Ų64.18%0.07933%0.327CS..EExtended strand (participates in β ladder)trans-124.9128.4177.1-70.3-175.1-93.700110.7T66 F67 K69 L100 K101 F109T66-E107 CarbonylContact C-O 3.58Å; T66-E107 VanDerWaalsContact CA-O 3.31Å; T66-E107 WeakPolarHBondContact CA-O 3.43Å; F67-E107 PolarHBondContact N-O 2.9Å; F67-E107 PolarHBondContact O-N 3.42Å; F67-E107 VanDerWaalsContact O-N 3.09Å; K69-E107 WeakPolarHBondContact CE-OE1 3.38Å; K69-E107 IonicContact NZ-OE1 2.73Å; K69-E107 PolarHBondContact NZ-OE1 3.48Å; L100-E107 VanDerWaalsContact CA-OE1 3.26Å; L100-E107 WeakPolarHBondContact CA-OE1 3.45Å; L100-E107 HydrophobicContact CD2-CB 4.23Å; K101-E107 WeakPolarHBondContact CE-OE2 3.24Å; K101-E107 WeakPolarHBondContact CG-OE2 3.38Å; K101-E107 PolarHBondContact N-OE1 3.42Å; K101-E107 IonicContact NZ-OE2 3.54Å; E107-F109 HydrophobicContact CB-CE2 3.72Å; E107-F109 HydrophobicContact CB-CZ 3.93Å
108T87.8Confident85.8Confident87 Ų8765.4 Ų65.453%0.53433%0.325SS..EExtended strand (participates in β ladder)trans-110.1135.5176.5-57.80000109.9I65 T66I65-T108 CarbonylContact O-C 3.16Å; I65-T108 WeakPolarHBondContact O-CA 3.42Å; T66-T108 WeakPolarHBondContact CG2-OG1 3.35Å; T66-T108 WeakPolarHBondContact OG1-CG2 3.15Å; T66-T108 PolarHBondContact OG1-OG1 2.84Å
109F82.5Confident86.1Confident27 Ų2766.6 Ų66.612%0.11833%0.329CS..EExtended strand (participates in β ladder)trans-124.8133.3179.1-58.4-87.2000110.6S64 I65 F67 F81 L96 S98 L100 E107S64-F109 CarbonylContact C-O 3.58Å; S64-F109 WeakPolarHBondContact CA-O 3.5Å; S64-F109 WeakPolarHBondContact CB-O 3.41Å; I65-F109 HydrophobicContact CG2-CB 4.23Å; I65-F109 PolarHBondContact N-O 3.4Å; I65-F109 PolarHBondContact O-N 3.06Å; F67-F109 HydrophobicContact CD2-CD2 4.04Å; F67-F109 HydrophobicContact CD2-CE2 4.02Å; F67-F109 HydrophobicContact CE2-CD2 4.21Å; F67-F109 HydrophobicContact CE2-CE2 4.43Å; F81-F109 HydrophobicContact CZ-CD2 4.24Å; F81-F109 AromaticContact CZ-CE2 3.96Å; F81-F109 HydrophobicContact CZ-CE2 3.96Å; F81-F109 HydrophobicContact CZ-CZ 4.37Å; L96-F109 HydrophobicContact CD1-CB 4.39Å; L96-F109 HydrophobicContact CD2-CB 3.42Å; L96-F109 VanDerWaalsContact CD2-CB 3.42Å; L96-F109 HydrophobicContact CD2-CD1 4.32Å; L96-F109 HydrophobicContact CD2-CD2 4.31Å; L96-F109 HydrophobicContact CD2-CG 3.77Å; S98-F109 WeakPolarHBondContact OG-CE1 3.23Å; L100-F109 HydrophobicContact CD2-CE2 3.67Å; L100-F109 HydrophobicContact CD2-CZ 4.05Å; E107-F109 HydrophobicContact CB-CE2 3.72Å; E107-F109 HydrophobicContact CB-CZ 3.93Å
110T87.2Confident86.6Confident111 Ų11166 Ų6668%0.68132%0.322SS*.EExtended strand (participates in β ladder)trans-68.1133.7167.9-53.60000109.9
111L89Confident87.1Confident2 Ų265.6 Ų65.61%0.0132%0.32CS..PPolyproline II helixtrans-101.6143.9178.9-65.8-178.7000110.3V62 Q63 I65 V83 L95 L96 H113V62-L111 HydrophobicContact CB-CD1 4.45Å; V62-L111 HydrophobicContact CG1-CD1 3.68Å; Q63-L111 PolarHBondContact O-N 3.26Å; I65-L111 HydrophobicContact CB-CD1 4.06Å; I65-L111 HydrophobicContact CB-CG 4.43Å; I65-L111 HydrophobicContact CG2-CD1 4.1Å; I65-L111 HydrophobicContact CG2-CD2 3.67Å; I65-L111 HydrophobicContact CG2-CG 4Å; V83-L111 HydrophobicContact CB-CD2 4.28Å; V83-L111 HydrophobicContact CG1-CD2 4.25Å; L95-L111 HydrophobicContact CB-CB 4.19Å; L95-L111 HydrophobicContact CB-CD2 4.03Å; L95-L111 HydrophobicContact CD1-CD1 4.12Å; L96-L111 HydrophobicContact CB-CD2 3.53Å; L96-L111 HydrophobicContact CD2-CD2 3.89Å; L96-L111 HydrophobicContact CG-CD2 4.32Å; L111-H113 PolarHBondContact O-N 3.41Å; L111-H113 PolarHBondContact O-ND1 2.78Å
112K90.8Very high88.1Confident114 Ų11464 Ų6450%0.49631%0.313SS..PPolyproline II helixtrans-60.9119.5168.3-179.1-176179.8178.70109L95 F120L95-K112 WeakPolarHBondContact CD2-O 3.37Å; L95-K112 WeakPolarHBondContact O-CB 3.32Å; L95-K112 PolarHBondContact O-N 3.3Å; K112-F120 HydrophobicContact CG-CE1 4.46Å; K112-F120 VanDerWaalsContact O-CZ 3.3Å; K112-F120 WeakPolarHBondContact O-CZ 3.42Å
113H92.3Very high88.6Confident35 Ų3564.3 Ų64.316%0.16231%0.311CS..  trans-133.99.3-176.560.9-85.7000113.3I61 V62 L111 M119 F120I61-H113 HydrophobicContact CG2-CB 3.94Å; V62-H113 WeakPolarHBondContact O-CB 3.39Å; L111-H113 PolarHBondContact O-N 3.41Å; L111-H113 PolarHBondContact O-ND1 2.78Å; H113-M119 VanDerWaalsContact O-CA 3.28Å; H113-M119 WeakPolarHBondContact O-CA 3.32Å; H113-F120 PolarHBondContact O-N 3.11Å; H113-F120 VanDerWaalsContact O-N 3.08Å
114K90.5Very high89.3Confident82 Ų8264 Ų6436%0.35731%0.308SS..EExtended strand (participates in β ladder)trans-129.6149.4177.7-63.6-179.8177.6-176.10112.6E117 Q118 M119K114-E117 IonicContact NZ-OE2 2.73Å; K114-E117 PolarHBondContact NZ-OE2 3.05Å; K114-Q118 CarbonylContact C-O 3.5Å; K114-Q118 WeakPolarHBondContact CA-O 3.46Å; K114-M119 HydrophobicContact CG-CG 3.91Å
115I86.2Confident90.1Very high27 Ų2757.1 Ų57.114%0.13828%0.281CS..EExtended strand (participates in β ladder)trans-131123168.7-64.1163.2000105.9E117 Q118 F120 W161 Y162 Y165I115-E117 VanDerWaalsContact C-N 3.28Å; I115-E117 PolarHBondContact O-N 2.83Å; I115-Q118 PolarHBondContact N-O 2.97Å; I115-Q118 WeakPolarHBondContact O-CA 3.5Å; I115-Q118 WeakPolarHBondContact O-CB 3.47Å; I115-Q118 PolarHBondContact O-N 3.47Å; I115-F120 HydrophobicContact CD1-CB 4.38Å; I115-F120 HydrophobicContact CD1-CD1 3.7Å; I115-F120 HydrophobicContact CD1-CE1 4.19Å; I115-F120 HydrophobicContact CD1-CG 4.13Å; I115-F120 HydrophobicContact CG1-CD1 3.66Å; I115-F120 HydrophobicContact CG1-CE1 3.94Å; I115-W161 HydrophobicContact CB-CH2 4.07Å; I115-W161 HydrophobicContact CG2-CH2 4.26Å; I115-Y162 HydrophobicContact CD1-CE2 4.06Å; I115-Y165 HydrophobicContact CD1-CE1 4.46Å; I115-Y165 HydrophobicContact CG2-CE1 4.32Å; I115-Y165 HydrophobicContact CG2-CE2 4.33Å
116D81.1Confident90.8Very high133 Ų13355.9 Ų55.971%0.71127%0.272SS*.THydrogen-bonded Turntrans4848.4-175.9-56.2-28.1000113.1Q118D116-Q118 PolarHBondContact O-N 3.29Å
117E83.4Confident91.3Very high144 Ų14450.5 Ų50.567%0.67325%0.248SC*.THydrogen-bonded Turntrans62.5-3.1-173.8-65.2-54.6129.200116.9K114 I115K114-E117 IonicContact NZ-OE2 2.73Å; K114-E117 PolarHBondContact NZ-OE2 3.05Å; I115-E117 VanDerWaalsContact C-N 3.28Å; I115-E117 PolarHBondContact O-N 2.83Å
118Q90.6Very high91.8Very high99 Ų9950.6 Ų50.646%0.46325%0.25SS..EExtended strand (participates in β ladder)trans-90.9131.9176.2-63.1-65.5-13.500111.2K114 I115 D116 W161K114-Q118 CarbonylContact C-O 3.5Å; K114-Q118 WeakPolarHBondContact CA-O 3.46Å; I115-Q118 PolarHBondContact N-O 2.97Å; I115-Q118 WeakPolarHBondContact O-CA 3.5Å; I115-Q118 WeakPolarHBondContact O-CB 3.47Å; I115-Q118 PolarHBondContact O-N 3.47Å; D116-Q118 PolarHBondContact O-N 3.29Å; Q118-W161 HydrophobicContact CB-CD2 4.04Å; Q118-W161 HydrophobicContact CB-CE3 4.04Å; Q118-W161 HydrophobicContact CB-CH2 3.64Å; Q118-W161 HydrophobicContact CB-CZ2 3.59Å; Q118-W161 HydrophobicContact CB-CZ3 3.86Å; Q118-W161 HydrophobicContact CG-CD2 4.42Å; Q118-W161 HydrophobicContact CG-CH2 4.4Å; Q118-W161 HydrophobicContact CG-CZ2 3.85Å
119M93.4Very high92.1Very high46 Ų4646.5 Ų46.523%0.22723%0.225CC..EExtended strand (participates in β ladder)trans-72.1138.5178.6-69.3-178.4-82.100111.3I61 H113 K114 I149 V154 C158I61-M119 HydrophobicContact CD1-CB 4.05Å; I61-M119 HydrophobicContact CG1-CB 4.24Å; I61-M119 HydrophobicContact CG1-SD 4.46Å; I61-M119 HydrophobicContact CG2-CB 4.1Å; I61-M119 HydrophobicContact CG2-CG 4.24Å; I61-M119 HydrophobicContact CG2-SD 4.03Å; H113-M119 VanDerWaalsContact O-CA 3.28Å; H113-M119 WeakPolarHBondContact O-CA 3.32Å; K114-M119 HydrophobicContact CG-CG 3.91Å; M119-I149 HydrophobicContact SD-CD1 4.26Å; M119-V154 HydrophobicContact CE-CG1 4.23Å; M119-C158 WeakPolarHBondContact O-CB 3.22Å; M119-C158 PolarHBondContact O-SG 2.98Å; M119-C158 VanDerWaalsContact O-SG 3.4Å
120F93.7Very high92.6Very high1 Ų148.5 Ų48.50%0.00424%0.237CC..  trans-115.3140.717567.2-93.6000111.9I61 L95 K112 H113 I115 Y162I61-F120 WeakPolarHBondContact CD1-O 3.15Å; L95-F120 HydrophobicContact CD2-CE2 3.82Å; L95-F120 HydrophobicContact CD2-CZ 3.69Å; K112-F120 HydrophobicContact CG-CE1 4.46Å; K112-F120 VanDerWaalsContact O-CZ 3.3Å; K112-F120 WeakPolarHBondContact O-CZ 3.42Å; H113-F120 PolarHBondContact O-N 3.11Å; H113-F120 VanDerWaalsContact O-N 3.08Å; I115-F120 HydrophobicContact CD1-CB 4.38Å; I115-F120 HydrophobicContact CD1-CD1 3.7Å; I115-F120 HydrophobicContact CD1-CE1 4.19Å; I115-F120 HydrophobicContact CD1-CG 4.13Å; I115-F120 HydrophobicContact CG1-CD1 3.66Å; I115-F120 HydrophobicContact CG1-CE1 3.94Å; F120-Y162 HydrophobicContact CB-CD2 3.6Å; F120-Y162 HydrophobicContact CB-CE2 3.91Å; F120-Y162 HydrophobicContact CB-CG 4.18Å; F120-Y162 HydrophobicContact CG-CE2 4.39Å
121P95.3Very high92.7Very high0 Ų046.2 Ų46.20%022%0.219CC..  trans-85.3149.8-178.533.8-33.4000112.2A60 I61 M87 V155 L159A60-P121 WeakPolarHBondContact O-CA 3.42Å; I61-P121 HydrophobicContact CD1-CB 4.08Å; M87-P121 HydrophobicContact SD-CB 4.16Å; M87-P121 HydrophobicContact SD-CG 4.06Å; P121-V155 HydrophobicContact CB-CG1 4.34Å; P121-L159 HydrophobicContact CB-CD2 3.9Å; P121-L159 HydrophobicContact CB-CG 4.06Å; P121-L159 HydrophobicContact CG-CB 4.32Å; P121-L159 HydrophobicContact CG-CD2 3.37Å; P121-L159 HydrophobicContact CG-CG 3.66Å
122C96.8Very high92.9Very high2 Ų246.4 Ų46.41%0.01422%0.22CC..EExtended strand (participates in β ladder)trans-114.8146.3167.6-63.70000109.9L56 P59 A60 V62L56-C122 WeakPolarHBondContact CD1-O 3.43Å; P59-C122 WeakPolarHBondContact CA-O 3.48Å; A60-C122 PolarHBondContact N-O 3.36Å; A60-C122 PolarHBondContact O-N 2.77Å; V62-C122 HydrophobicContact CG2-CB 3.89Å
123R96.9Very high92.6Very high52 Ų5244.5 Ų44.520%0.19621%0.21CC..EExtended strand (participates in β ladder)trans-109.1-31.1164.4179.359.6-171.3-157.611111.6L56 E57 G86 M87L56-R123 PolarHBondContact N-O 3.31Å; L56-R123 PolarHBondContact O-NE 2.81Å; L56-R123 PolarHBondContact O-NH1 3.2Å; L56-R123 PolarHBondContact O-NH2 3.49Å; E57-R123 PolarHBondContact O-NH1 3.44Å; E57-R123 PolarHBondContact O-NH2 3.06Å; G86-R123 PolarHBondContact O-N 3.07Å; M87-R123 HydrophobicContact CE-CB 4.16Å; M87-R123 HydrophobicContact SD-CB 4.01Å
124F98.4Very high92.4Very high22 Ų2243.1 Ų43.110%0.09621%0.206CC..EExtended strand (participates in β ladder)trans-122142.9-179.8-60.8-88.6000109.9F15 I53 L54 K55 G85 G86 M87 M92F15-F124 AromaticContact CD1-CD1 3.98Å; F15-F124 HydrophobicContact CD1-CD1 3.98Å; F15-F124 AromaticContact CD1-CE1 3.72Å; F15-F124 HydrophobicContact CD1-CE1 3.72Å; F15-F124 HydrophobicContact CD2-CE1 4.26Å; F15-F124 HydrophobicContact CE1-CD1 4.29Å; F15-F124 AromaticContact CE1-CE1 3.71Å; F15-F124 HydrophobicContact CE1-CE1 3.71Å; F15-F124 HydrophobicContact CE2-CE1 4.25Å; F15-F124 HydrophobicContact CG-CD1 4.37Å; F15-F124 HydrophobicContact CG-CE1 4Å; F15-F124 AromaticContact CZ-CE1 3.99Å; F15-F124 HydrophobicContact CZ-CE1 3.99Å; I53-F124 HydrophobicContact CG2-CB 4.22Å; I53-F124 HydrophobicContact CG2-CD1 4.05Å; L54-F124 CarbonylContact O-C 3.55Å; L54-F124 VanDerWaalsContact O-CA 3.23Å; L54-F124 WeakPolarHBondContact O-CA 3.28Å; K55-F124 HydrophobicContact CB-CD1 3.97Å; K55-F124 HydrophobicContact CB-CE1 3.93Å; K55-F124 HydrophobicContact CD-CE1 3.83Å; K55-F124 HydrophobicContact CD-CZ 4.27Å; K55-F124 HydrophobicContact CG-CD1 4.13Å; K55-F124 HydrophobicContact CG-CE1 3.73Å; K55-F124 HydrophobicContact CG-CZ 4.31Å; G85-F124 WeakPolarHBondContact CA-O 3.19Å; G86-F124 PolarHBondContact N-O 2.93Å; G86-F124 PolarHBondContact O-N 3.36Å; M87-F124 WeakPolarHBondContact O-CE2 3.18Å; M92-F124 HydrophobicContact CE-CB 3.48Å; M92-F124 VanDerWaalsContact CE-CB 3.48Å; M92-F124 HydrophobicContact CE-CG 4.44Å
125V98.3Very high91.9Very high0 Ų044.9 Ų44.90%023%0.225CC..EExtended strand (participates in β ladder)trans-126.9120.8173.8178.30000107.9I53 L54 V62 V83 F84 L146I53-V125 CarbonylContact C-O 3.51Å; I53-V125 WeakPolarHBondContact CA-O 3.33Å; L54-V125 HydrophobicContact CB-CB 4.39Å; L54-V125 PolarHBondContact N-O 3.3Å; L54-V125 PolarHBondContact O-N 2.93Å; V62-V125 HydrophobicContact CG2-CG2 4.21Å; V83-V125 HydrophobicContact CG1-CG1 3.64Å; F84-V125 CarbonylContact O-C 3.5Å; F84-V125 VanDerWaalsContact O-CA 3.29Å; F84-V125 WeakPolarHBondContact O-CA 3.34Å; V125-L146 HydrophobicContact CB-CD1 4.45Å; V125-L146 HydrophobicContact CG2-CD1 4.15Å
126K98.2Very high91.8Very high59 Ų5948.5 Ų48.526%0.25725%0.253SS..EExtended strand (participates in β ladder)trans-109.1122.5-180176.6178.9-177.41790110.5F51 L52 I53 V83 F84 M92 V128F51-K126 HydrophobicContact CB-CG 4.32Å; L52-K126 CarbonylContact O-C 3.58Å; L52-K126 VanDerWaalsContact O-CA 3.28Å; L52-K126 WeakPolarHBondContact O-CA 3.1Å; I53-K126 HydrophobicContact CD1-CD 4.26Å; I53-K126 HydrophobicContact CG1-CB 4.09Å; I53-K126 HydrophobicContact CG1-CD 4.21Å; I53-K126 HydrophobicContact CG1-CG 3.94Å; V83-K126 CarbonylContact C-O 3.55Å; V83-K126 WeakPolarHBondContact CA-O 3.46Å; F84-K126 HydrophobicContact CB-CB 4.28Å; F84-K126 PolarHBondContact N-O 2.95Å; F84-K126 PolarHBondContact O-N 2.79Å; M92-K126 HydrophobicContact CE-CB 3.88Å; M92-K126 HydrophobicContact SD-CB 3.42Å; M92-K126 WeakPolarHBondContact SD-CB 3.47Å; M92-K126 HydrophobicContact SD-CD 4.43Å; K126-V128 HydrophobicContact CD-CG2 4.18Å; K126-V128 HydrophobicContact CG-CG2 3.89Å
127I98.1Very high92.2Very high0 Ų047 Ų470%024%0.24CC..EExtended strand (participates in β ladder)trans-101.2125.6174.8-51.5170.1000108F51 L52 L54 I65 F67 P129 I141 I144F51-I127 CarbonylContact C-O 3.59Å; F51-I127 WeakPolarHBondContact CA-O 3.49Å; F51-I127 WeakPolarHBondContact CB-O 3.24Å; L52-I127 PolarHBondContact N-O 3.01Å; L52-I127 PolarHBondContact O-N 3.41Å; L54-I127 HydrophobicContact CD1-CD1 4.12Å; I65-I127 HydrophobicContact CD1-CD1 3.89Å; I65-I127 HydrophobicContact CD1-CG1 4.24Å; F67-I127 HydrophobicContact CE1-CD1 4.4Å; F67-I127 HydrophobicContact CE1-CG2 4.25Å; F67-I127 HydrophobicContact CZ-CD1 4.44Å; F67-I127 HydrophobicContact CZ-CG2 4.24Å; I127-P129 WeakPolarHBondContact O-CD 3.49Å; I127-I141 HydrophobicContact CB-CD1 4.33Å; I127-I141 HydrophobicContact CD1-CD1 4.42Å; I127-I141 HydrophobicContact CG2-CD1 3.82Å; I127-I144 HydrophobicContact CD1-CD1 3.65Å; I127-I144 HydrophobicContact CD1-CG1 3.88Å
128V97.1Very high92.6Very high20 Ų2042.2 Ų42.212%0.12122%0.219CC..EExtended strand (participates in β ladder)trans-119.597.7-177.7-175.90000109.3F51 F81 K82 F84 K126 L130F51-V128 HydrophobicContact CB-CG2 4.24Å; F81-V128 CarbonylContact C-O 3.49Å; F81-V128 VanDerWaalsContact CA-O 3.22Å; F81-V128 WeakPolarHBondContact CA-O 3.33Å; F81-V128 WeakPolarHBondContact CB-O 3.49Å; K82-V128 HydrophobicContact CB-CB 4.47Å; K82-V128 PolarHBondContact N-O 3.07Å; K82-V128 PolarHBondContact O-N 3.09Å; F84-V128 HydrophobicContact CD2-CG2 3.88Å; F84-V128 HydrophobicContact CE2-CB 4.25Å; F84-V128 HydrophobicContact CE2-CG2 3.71Å; K126-V128 HydrophobicContact CD-CG2 4.18Å; K126-V128 HydrophobicContact CG-CG2 3.89Å; V128-L130 HydrophobicContact CG1-CD2 4.02Å
129P95.4Very high92.8Very high0 Ų037.6 Ų37.60%020%0.198CC..EExtended strand (participates in β ladder)trans-56.6134.9166.4-28.436.7000112.6W41 Q50 L78 I127 F139W41-P129 HydrophobicContact CH2-CG 3.98Å; W41-P129 HydrophobicContact CZ3-CG 3.83Å; Q50-P129 VanDerWaalsContact O-CD 3.31Å; Q50-P129 WeakPolarHBondContact O-CD 3.3Å; L78-P129 HydrophobicContact CD1-CB 4.38Å; L78-P129 HydrophobicContact CD1-CG 4.03Å; L78-P129 HydrophobicContact CD2-CB 3.82Å; L78-P129 HydrophobicContact CD2-CG 4.03Å; I127-P129 WeakPolarHBondContact O-CD 3.49Å; P129-F139 HydrophobicContact CB-CB 3.59Å; P129-F139 HydrophobicContact CB-CD1 3.69Å; P129-F139 HydrophobicContact CB-CD2 3.74Å; P129-F139 HydrophobicContact CB-CE1 4.3Å; P129-F139 HydrophobicContact CB-CE2 4.32Å; P129-F139 HydrophobicContact CB-CG 3.37Å; P129-F139 HydrophobicContact CG-CB 3.91Å; P129-F139 HydrophobicContact CG-CG 4.21Å
130L91.5Very high92.9Very high69 Ų6935.4 Ų35.436%0.36119%0.187SC..EExtended strand (participates in β ladder)trans-117.8-35.7178.8-60.5178.7000112.5K80 K82 V128K80-L130 HydrophobicContact CB-CB 4.02Å; K80-L130 WeakPolarHBondContact O-CA 3.45Å; K80-L130 WeakPolarHBondContact O-CB 3.44Å; K80-L130 PolarHBondContact O-N 2.85Å; K82-L130 HydrophobicContact CD-CD1 4.17Å; K82-L130 HydrophobicContact CG-CD1 3.9Å; V128-L130 HydrophobicContact CG1-CD2 4.02Å
131M90.6Very high93.1Very high63 Ų6335.5 Ų35.531%0.3119%0.187SC..EExtended strand (participates in β ladder)trans-153137.9-179.2-174.2172.64600110.2L78 K79 K80L78-M131 CarbonylContact C-O 3.56Å; K79-M131 WeakPolarHBondContact CA-O 3.36Å; K79-M131 HydrophobicContact CB-CB 4.48Å; K79-M131 HydrophobicContact CB-CE 4.19Å; K79-M131 HydrophobicContact CB-CG 4.29Å; K79-M131 HydrophobicContact CD-CE 3.53Å; K79-M131 HydrophobicContact CD-CG 4.42Å; K79-M131 HydrophobicContact CD-SD 4.06Å; K79-M131 HydrophobicContact CG-CE 3.75Å; K79-M131 PolarHBondContact N-O 2.98Å; K80-M131 HydrophobicContact CB-CB 4.02Å; K80-M131 HydrophobicContact CB-CE 4.25Å; K80-M131 HydrophobicContact CD-CE 3.55Å; K80-M131 HydrophobicContact CG-CB 4.46Å; K80-M131 HydrophobicContact CG-CE 3.53Å; K80-M131 PolarHBondContact N-O 3.38Å; K80-M131 PolarHBondContact O-N 2.86Å
132S91.6Very high93.1Very high6 Ų635.9 Ų35.94%0.04219%0.189CC..EExtended strand (participates in β ladder)trans-96.6165.8169.751.60000110.6N77 G134 F137N77-S132 CarbonylContact O-C 3.53Å; N77-S132 VanDerWaalsContact O-CA 3.3Å; N77-S132 WeakPolarHBondContact O-CA 3.3Å; S132-G134 PolarHBondContact OG-O 2.88Å; S132-F137 PolarHBondContact OG-O 2.64Å
133W86.3Confident93.2Very high75 Ų7537.2 Ų37.228%0.28419%0.194SC..SBendtrans-70.1-32.3176.9-85.693.8000113.2V75 N77 K79 L100 N102V75-W133 CarbonylContact O-C 3.57Å; V75-W133 PolarHBondContact O-N 3.44Å; V75-W133 VanDerWaalsContact O-N 3.16Å; N77-W133 PolarHBondContact O-N 2.93Å; K79-W133 HydrophobicContact CB-CD2 4.25Å; K79-W133 HydrophobicContact CB-CG 4.06Å; K79-W133 HydrophobicContact CD-CD2 4.13Å; K79-W133 HydrophobicContact CD-CE3 4.2Å; K79-W133 HydrophobicContact CG-CD2 4.15Å; K79-W133 HydrophobicContact CG-CG 4.48Å; K79-W133 HydrophobicContact CG-CZ2 4.27Å; L100-W133 PolarHBondContact O-NE1 2.9Å; N102-W133 HydrophobicContact CB-CB 4.49Å; N102-W133 HydrophobicContact CB-CD2 3.7Å; N102-W133 HydrophobicContact CB-CE3 4.35Å; N102-W133 HydrophobicContact CB-CG 3.74Å; N102-W133 HydrophobicContact CB-CZ2 4.29Å
134G87.1Confident93.2Very high6 Ų634.8 Ų34.86%0.06219%0.185CC..SBendtrans-88.6115.4170.300000110.6V75 S132 S136 F137V75-G134 PolarHBondContact O-N 3.04Å; S132-G134 PolarHBondContact OG-O 2.88Å; G134-S136 PolarHBondContact O-N 3.04Å; G134-F137 PolarHBondContact O-N 2.89Å
135P79.3Confident93.2Very high119 Ų11936.2 Ų36.277%0.77319%0.192SC*.THydrogen-bonded Turntrans-54.4-25.5-172.6-27.233.9000115.5N46N46-P135 PolarHBondContact ND2-O 3.13Å
136S84.9Confident93.2Very high102 Ų10236.2 Ų36.271%0.71319%0.192SC*.THydrogen-bonded Turntrans-113.913.3-178.1-51.70000113.5N46 G134N46-S136 WeakPolarHBondContact ND2-CA 3.27Å; G134-S136 PolarHBondContact O-N 3.04Å
137F88.9Confident93.1Very high103 Ų10335.7 Ų35.745%0.45219%0.19SC..SBendtrans-102.8143.9-176.6-75.9-92.5000111.9N46 V75 S132 G134N46-F137 VanDerWaalsContact CB-O 3.25Å; N46-F137 WeakPolarHBondContact CB-O 3.39Å; V75-F137 HydrophobicContact CB-CD1 4.4Å; V75-F137 HydrophobicContact CB-CD2 3.98Å; V75-F137 HydrophobicContact CB-CE2 4.23Å; V75-F137 HydrophobicContact CB-CG 4.05Å; V75-F137 HydrophobicContact CG2-CB 4.28Å; V75-F137 HydrophobicContact CG2-CD1 3.41Å; V75-F137 VanDerWaalsContact CG2-CD1 3.41Å; V75-F137 HydrophobicContact CG2-CD2 3.81Å; V75-F137 HydrophobicContact CG2-CE1 3.54Å; V75-F137 HydrophobicContact CG2-CE2 3.92Å; V75-F137 HydrophobicContact CG2-CG 3.55Å; V75-F137 HydrophobicContact CG2-CZ 3.78Å; S132-F137 PolarHBondContact OG-O 2.64Å; G134-F137 PolarHBondContact O-N 2.89Å
138N92.4Very high93Very high42 Ų4235.7 Ų35.723%0.22519%0.19CC..PPolyproline II helixtrans-59.5160.3175.7-67.1-6.8000111.6S43 E44 S45 N46 C76S43-N138 WeakPolarHBondContact O-CB 3.31Å; S43-N138 PolarHBondContact O-ND2 3.21Å; E44-N138 VanDerWaalsContact C-ND2 3.34Å; E44-N138 PolarHBondContact O-ND2 2.85Å; S45-N138 VanDerWaalsContact C-OD1 3.28Å; S45-N138 WeakPolarHBondContact CA-OD1 3.46Å; N46-N138 PolarHBondContact N-OD1 2.68Å; C76-N138 WeakPolarHBondContact CA-O 3.41Å; C76-N138 WeakPolarHBondContact CB-O 3.39Å
139F94.8Very high93Very high3 Ų334.9 Ų34.91%0.01319%0.185CC..PPolyproline II helixtrans-82.7131.5178.9-55.1-60.5000109.5W41 S42 S43 N46 P48 Q50 L78 P129W41-F139 HydrophobicContact CZ3-CB 4.37Å; S42-F139 CarbonylContact C-O 3.54Å; S42-F139 VanDerWaalsContact CA-O 3.23Å; S42-F139 WeakPolarHBondContact CA-O 3.36Å; S43-F139 PolarHBondContact N-O 2.98Å; S43-F139 PolarHBondContact OG-N 2.97Å; N46-F139 WeakPolarHBondContact O-CE2 3.43Å; N46-F139 WeakPolarHBondContact O-CZ 3.26Å; P48-F139 HydrophobicContact CG-CZ 4.39Å; Q50-F139 HydrophobicContact CB-CD2 3.63Å; Q50-F139 HydrophobicContact CB-CE2 3.94Å; Q50-F139 HydrophobicContact CG-CD2 3.56Å; Q50-F139 HydrophobicContact CG-CE2 3.62Å; L78-F139 HydrophobicContact CD2-CB 3.73Å; L78-F139 HydrophobicContact CD2-CD1 4.11Å; L78-F139 HydrophobicContact CD2-CG 4.33Å; P129-F139 HydrophobicContact CB-CB 3.59Å; P129-F139 HydrophobicContact CB-CD1 3.69Å; P129-F139 HydrophobicContact CB-CD2 3.74Å; P129-F139 HydrophobicContact CB-CE1 4.3Å; P129-F139 HydrophobicContact CB-CE2 4.32Å; P129-F139 HydrophobicContact CB-CG 3.37Å; P129-F139 HydrophobicContact CG-CB 3.91Å; P129-F139 HydrophobicContact CG-CG 4.21Å
140S95.2Very high92.9Very high0 Ų036.8 Ų36.80%019%0.194CC..EExtended strand (participates in β ladder)trans-123.9141174.1-570000112.5W41 S42 C76W41-S140 CarbonylContact O-C 3.42Å; W41-S140 WeakPolarHBondContact O-CA 3.47Å; W41-S140 WeakPolarHBondContact O-CB 3.31Å; S42-S140 PolarHBondContact OG-OG 2.73Å; C76-S140 WeakPolarHBondContact CB-OG 3.3Å; C76-S140 PolarHBondContact O-N 2.99Å
141I97.1Very high93Very high2 Ų236.2 Ų36.21%0.0119%0.191CC..EExtended strand (participates in β ladder)trans-121122.9170.2-63.8173.2000106.7I29 R40 W41 L52 F67 L78 I127 I144I29-I141 HydrophobicContact CB-CG2 4.27Å; I29-I141 HydrophobicContact CG2-CB 3.99Å; I29-I141 HydrophobicContact CG2-CG2 3.74Å; I29-I141 WeakPolarHBondContact CG2-O 3.42Å; R40-I141 CarbonylContact C-O 3.58Å; R40-I141 WeakPolarHBondContact CA-O 3.14Å; R40-I141 WeakPolarHBondContact CB-O 3.43Å; W41-I141 HydrophobicContact CE3-CB 3.95Å; W41-I141 HydrophobicContact CE3-CD1 3.84Å; W41-I141 HydrophobicContact CE3-CG1 3.79Å; W41-I141 HydrophobicContact CZ3-CD1 3.78Å; W41-I141 HydrophobicContact CZ3-CG1 3.97Å; W41-I141 PolarHBondContact N-O 3.12Å; W41-I141 PolarHBondContact O-N 3.13Å; L52-I141 HydrophobicContact CD1-CB 4.48Å; L52-I141 HydrophobicContact CD1-CD1 3.77Å; F67-I141 HydrophobicContact CD1-CG2 4.45Å; L78-I141 HydrophobicContact CD1-CD1 4.03Å; L78-I141 HydrophobicContact CD1-CG1 3.71Å; L78-I141 HydrophobicContact CG-CG1 4.4Å; I127-I141 HydrophobicContact CB-CD1 4.33Å; I127-I141 HydrophobicContact CD1-CD1 4.42Å; I127-I141 HydrophobicContact CG2-CD1 3.82Å; I141-I144 HydrophobicContact CG2-CD1 3.69Å; I141-I144 HydrophobicContact CG2-CG1 3.69Å
142W96.7Very high93Very high9 Ų936.8 Ų36.83%0.03420%0.199CC..  trans-86.8-47.2-174.7-59.491000111.8Q37 S39 R40 G68 Y70 H74 N77Q37-W142 HydrophobicContact CG-CH2 4.32Å; S39-W142 VanDerWaalsContact O-O 3.14Å; R40-W142 HydrophobicContact CB-CD2 3.96Å; R40-W142 HydrophobicContact CB-CE3 3.69Å; R40-W142 HydrophobicContact CB-CG 4.42Å; R40-W142 HydrophobicContact CB-CZ3 4.14Å; R40-W142 HydrophobicContact CG-CE3 4.32Å; R40-W142 HydrophobicContact CG-CZ3 4.28Å; G68-W142 WeakPolarHBondContact O-CB 3.29Å; Y70-W142 VanDerWaalsContact CB-CH2 3.47Å; Y70-W142 HydrophobicContact CD1-CH2 4.27Å; Y70-W142 HydrophobicContact CD2-CE3 4.26Å; Y70-W142 AromaticContact CD2-CH2 3.75Å; Y70-W142 HydrophobicContact CD2-CH2 3.75Å; Y70-W142 AromaticContact CD2-CZ3 3.53Å; Y70-W142 HydrophobicContact CD2-CZ3 3.53Å; Y70-W142 HydrophobicContact CE2-CZ3 4.44Å; Y70-W142 HydrophobicContact CG-CE3 4.45Å; Y70-W142 AromaticContact CG-CH2 3.57Å; Y70-W142 HydrophobicContact CG-CH2 3.57Å; Y70-W142 HydrophobicContact CG-CZ2 4.09Å; Y70-W142 AromaticContact CG-CZ3 3.79Å; Y70-W142 HydrophobicContact CG-CZ3 3.79Å; H74-W142 HydrophobicContact CB-CZ2 3.9Å; H74-W142 AromaticContact CD2-CZ2 3.9Å; H74-W142 AromaticContact CG-CZ2 3.68Å; N77-W142 PolarHBondContact OD1-NE1 2.87Å
143Y97.9Very high93.1Very high29 Ų2943 Ų4311%0.11423%0.232CC..EExtended strand (participates in β ladder)trans-157.1147.5-178.4166.4-104.9000110.2I29 D32 F67 G68 E145I29-Y143 CarbonylContact O-C 3.47Å; I29-Y143 VanDerWaalsContact O-CA 3.28Å; I29-Y143 WeakPolarHBondContact O-CA 3.18Å; I29-Y143 VanDerWaalsContact O-CD2 3.24Å; I29-Y143 WeakPolarHBondContact O-CD2 3.31Å; D32-Y143 HydrophobicContact CB-CD1 3.88Å; D32-Y143 HydrophobicContact CB-CD2 3.74Å; D32-Y143 HydrophobicContact CB-CE1 4.12Å; D32-Y143 HydrophobicContact CB-CE2 4Å; D32-Y143 HydrophobicContact CB-CG 3.67Å; F67-Y143 WeakPolarHBondContact CA-O 2.89Å; G68-Y143 PolarHBondContact N-O 3.48Å; Y143-E145 HydrophobicContact CE1-CB 3.84Å; Y143-E145 WeakPolarHBondContact OH-CB 3.4Å; Y143-E145 PolarHBondContact OH-OE2 3.4Å; Y143-E145 VanDerWaalsContact OH-OE2 3.11Å
144I98.2Very high93.3Very high2 Ų241 Ų411%0.0123%0.228CC..EExtended strand (participates in β ladder)trans-128.1131.2174.3-62.3-63.6000110.4F12 I29 L54 I65 T66 F67 I127 I141 L146F12-I144 HydrophobicContact CE1-CG2 4.26Å; F12-I144 HydrophobicContact CZ-CB 4.01Å; F12-I144 HydrophobicContact CZ-CG2 3.88Å; F12-I144 WeakPolarHBondContact CZ-O 3.49Å; I29-I144 HydrophobicContact CB-CG1 4.39Å; I29-I144 HydrophobicContact CD1-CG1 4.12Å; I29-I144 PolarHBondContact O-N 2.96Å; L54-I144 HydrophobicContact CD1-CG2 3.86Å; I65-I144 HydrophobicContact CD1-CD1 4.22Å; I65-I144 HydrophobicContact CD1-CG2 4.16Å; I65-I144 HydrophobicContact CG1-CD1 4.46Å; I65-I144 HydrophobicContact CG1-CG2 4.13Å; T66-I144 WeakPolarHBondContact O-CA 3.35Å; F67-I144 HydrophobicContact CD1-CD1 3.36Å; F67-I144 HydrophobicContact CD2-CD1 4.5Å; F67-I144 HydrophobicContact CE1-CD1 3.35Å; F67-I144 HydrophobicContact CE2-CD1 4.49Å; F67-I144 HydrophobicContact CG-CD1 3.98Å; F67-I144 HydrophobicContact CZ-CD1 3.95Å; I127-I144 HydrophobicContact CD1-CD1 3.65Å; I127-I144 HydrophobicContact CD1-CG1 3.88Å; I141-I144 HydrophobicContact CG2-CD1 3.69Å; I141-I144 HydrophobicContact CG2-CG1 3.69Å; I144-L146 HydrophobicContact CG2-CD2 4.3Å; I144-L146 HydrophobicContact CG2-CG 4.18Å
145E98Very high93.7Very high52 Ų5240.9 Ų40.924%0.24323%0.226CC..EExtended strand (participates in β ladder)trans-118.6139.7162.8-159.3173.374.400108.9V9 I65 T66 Y143 H147V9-E145 HydrophobicContact CG1-CG 3.9Å; V9-E145 HydrophobicContact CG2-CG 4.4Å; I65-E145 CarbonylContact C-O 3.58Å; I65-E145 WeakPolarHBondContact CA-O 3.25Å; T66-E145 PolarHBondContact N-O 3.43Å; T66-E145 PolarHBondContact O-N 3Å; Y143-E145 HydrophobicContact CE1-CB 3.84Å; Y143-E145 WeakPolarHBondContact OH-CB 3.4Å; Y143-E145 PolarHBondContact OH-OE2 3.4Å; Y143-E145 VanDerWaalsContact OH-OE2 3.11Å; E145-H147 IonicContact OE1-CD2 3.98Å; E145-H147 PolarHBondContact OE1-CD2 3.42Å; E145-H147 IonicContact OE1-CE1 2.98Å; E145-H147 IonicContact OE1-NE2 2.95Å; E145-H147 PolarHBondContact OE1-NE2 3.08Å
146L97.8Very high94.4Very high0 Ų039.8 Ų39.80%021%0.211CC..EExtended strand (participates in β ladder)trans-117.1134.6174.5-66.2176.1000108.4V9 L10 F12 L54 L56 V62 I65 V125 I144V9-L146 CarbonylContact C-O 3.59Å; V9-L146 WeakPolarHBondContact CA-O 3.46Å; L10-L146 HydrophobicContact CB-CB 4.15Å; L10-L146 HydrophobicContact CD1-CB 4.36Å; L10-L146 PolarHBondContact N-O 2.91Å; F12-L146 HydrophobicContact CD1-CD1 3.92Å; F12-L146 HydrophobicContact CD1-CG 4.28Å; F12-L146 HydrophobicContact CE1-CD1 4.32Å; F12-L146 HydrophobicContact CE1-CG 4.26Å; F12-L146 HydrophobicContact CG-CD1 4.35Å; L54-L146 HydrophobicContact CD1-CD1 4.21Å; L56-L146 HydrophobicContact CD2-CD1 3.65Å; V62-L146 HydrophobicContact CG1-CB 4.42Å; V62-L146 HydrophobicContact CG1-CD2 4.1Å; I65-L146 HydrophobicContact CB-CD2 3.78Å; I65-L146 HydrophobicContact CD1-CD2 3.83Å; I65-L146 HydrophobicContact CG1-CD2 3.65Å; V125-L146 HydrophobicContact CB-CD1 4.45Å; V125-L146 HydrophobicContact CG2-CD1 4.15Å; I144-L146 HydrophobicContact CG2-CD2 4.3Å; I144-L146 HydrophobicContact CG2-CG 4.18Å
147H96.6Very high94.8Very high47 Ų4738.5 Ų38.522%0.21820%0.2CC..EExtended strand (participates in β ladder)trans-118.9147.1173.7-80.6-105.5000111.2R8 V9 Q63 S64 E145R8-H147 CarbonylContact O-C 3.39Å; R8-H147 VanDerWaalsContact O-CA 3.31Å; R8-H147 WeakPolarHBondContact O-CA 3.31Å; V9-H147 WeakPolarHBondContact CG2-CE1 3.22Å; V9-H147 WeakPolarHBondContact CG2-NE2 3.46Å; Q63-H147 PolarHBondContact N-O 3.36Å; S64-H147 PolarHBondContact N-O 2.67Å; S64-H147 VanDerWaalsContact N-O 3.17Å; S64-H147 PolarHBondContact O-N 3.25Å; S64-H147 WeakPolarHBondContact OG-CB 3.5Å; E145-H147 IonicContact OE1-CD2 3.98Å; E145-H147 PolarHBondContact OE1-CD2 3.42Å; E145-H147 IonicContact OE1-CE1 2.98Å; E145-H147 IonicContact OE1-NE2 2.95Å; E145-H147 PolarHBondContact OE1-NE2 3.08Å
148G95.8Very high95.1Very high0 Ų034.2 Ų34.20%018%0.183CC..EExtended strand (participates in β ladder)trans171.1-164179.600000114.5S7 R8 I61S7-G148 PolarHBondContact OG-N 2.84Å; R8-G148 PolarHBondContact N-O 2.89Å; R8-G148 PolarHBondContact O-N 2.95Å; I61-G148 CarbonylContact O-C 3.45Å; I61-G148 WeakPolarHBondContact O-CA 3.49Å
149I95.8Very high95.1Very high4 Ų433.7 Ų33.72%0.02118%0.18CC..EExtended strand (participates in β ladder)trans-108.2116.8-176.7-54.2166.9000108.9P5 A60 I61 M119 D151 V154 V155P5-I149 HydrophobicContact CB-CD1 4.16Å; P5-I149 HydrophobicContact CB-CG2 4.25Å; P5-I149 HydrophobicContact CG-CD1 3.96Å; A60-I149 CarbonylContact C-O 3.58Å; A60-I149 WeakPolarHBondContact CA-O 3.18Å; A60-I149 WeakPolarHBondContact CB-O 3.46Å; I61-I149 HydrophobicContact CB-CB 4.22Å; I61-I149 HydrophobicContact CG1-CB 4.42Å; I61-I149 PolarHBondContact N-O 2.86Å; I61-I149 PolarHBondContact O-N 3.29Å; M119-I149 HydrophobicContact SD-CD1 4.26Å; I149-D151 HydrophobicContact CG2-CB 4.14Å; I149-V154 HydrophobicContact CG2-CB 3.99Å; I149-V154 HydrophobicContact CG2-CG1 4.05Å; I149-V154 HydrophobicContact CG2-CG2 4.33Å; I149-V155 WeakPolarHBondContact O-CG2 3.44Å
150E93.8Very high95Very high39 Ų3937.7 Ų37.718%0.18220%0.201CC..  trans-111.96.7174.161.1166.7-157.300113.1R8 L10 A60 P152R8-E150 WeakPolarHBondContact CD-OE1 3.39Å; R8-E150 HydrophobicContact CG-CG 4.19Å; R8-E150 IonicContact CZ-OE1 2.93Å; R8-E150 IonicContact NE-OE1 3.2Å; R8-E150 PolarHBondContact NE-OE1 3.47Å; R8-E150 IonicContact NH1-OE1 2.72Å; R8-E150 PolarHBondContact NH1-OE1 2.95Å; R8-E150 IonicContact NH2-OE1 3.64Å; L10-E150 HydrophobicContact CD2-CB 3.91Å; L10-E150 HydrophobicContact CD2-CG 4.15Å; A60-E150 HydrophobicContact CB-CB 4.14Å; E150-P152 VanDerWaalsContact O-CD 3.31Å; E150-P152 WeakPolarHBondContact O-CD 3.39Å
151D93.6Very high95Very high57 Ų5741.1 Ų41.131%0.30521%0.214SC..  trans-61.6118176.1-173.4-12.6000110.5I149 D153 V154 V155I149-D151 HydrophobicContact CG2-CB 4.14Å; D151-D153 PolarHBondContact O-N 3.42Å; D151-D153 PolarHBondContact OD1-N 3.34Å; D151-V154 HydrophobicContact CB-CG2 4.31Å; D151-V154 PolarHBondContact O-N 2.88Å; D151-V155 WeakPolarHBondContact O-CG2 3.45Å; D151-V155 PolarHBondContact O-N 3.39Å
152P91.4Very high94.7Very high75 Ų7541.9 Ų41.949%0.48722%0.217SC..Hα-helixtrans-54.5-32.9179.2-26.335.7000114E150 V154 Q156E150-P152 VanDerWaalsContact O-CD 3.31Å; E150-P152 WeakPolarHBondContact O-CD 3.39Å; P152-V154 PolarHBondContact O-N 3.21Å; P152-Q156 WeakPolarHBondContact O-CB 3.19Å; P152-Q156 PolarHBondContact O-N 2.97Å
153D92.6Very high94.4Very high137 Ų13745.1 Ų45.173%0.73324%0.241SC*.Hα-helixtrans-67.9-23.7-178.5-71.5-22.5000112.1D151 P157D151-D153 PolarHBondContact O-N 3.42Å; D151-D153 PolarHBondContact OD1-N 3.34Å; D153-P157 WeakPolarHBondContact O-CD 3.31Å; D153-P157 WeakPolarHBondContact O-CG 2.99Å
154V92.3Very high94.1Very high32 Ų3250.2 Ų50.219%0.19426%0.264CS..Hα-helixtrans-96.4-45.8175-177.60000111.3P5 M119 I149 D151 P152 P157 C158P5-V154 HydrophobicContact CB-CG2 3.79Å; P5-V154 HydrophobicContact CG-CG2 4.24Å; M119-V154 HydrophobicContact CE-CG1 4.23Å; I149-V154 HydrophobicContact CG2-CB 3.99Å; I149-V154 HydrophobicContact CG2-CG1 4.05Å; I149-V154 HydrophobicContact CG2-CG2 4.33Å; D151-V154 HydrophobicContact CB-CG2 4.31Å; D151-V154 PolarHBondContact O-N 2.88Å; P152-V154 PolarHBondContact O-N 3.21Å; V154-P157 WeakPolarHBondContact O-CD 3.47Å; V154-C158 PolarHBondContact O-SG 2.89Å; V154-C158 VanDerWaalsContact O-SG 3.37Å
155V94Very high93.8Very high5 Ų552.9 Ų52.93%0.0327%0.274CS..Hα-helixtrans-71.7-37.8-172.6176.30000112P59 I61 P121 I149 D151 C158 L159P59-V155 HydrophobicContact CB-CG1 4.2Å; I61-V155 HydrophobicContact CG1-CG2 4.37Å; P121-V155 HydrophobicContact CB-CG1 4.34Å; I149-V155 WeakPolarHBondContact O-CG2 3.44Å; D151-V155 WeakPolarHBondContact O-CG2 3.45Å; D151-V155 PolarHBondContact O-N 3.39Å; V155-C158 WeakPolarHBondContact O-CB 3.31Å; V155-C158 PolarHBondContact O-N 3.17Å; V155-L159 HydrophobicContact CG1-CD1 3.89Å; V155-L159 HydrophobicContact CG1-CG 4.16Å; V155-L159 PolarHBondContact O-N 3.46Å
156Q93.8Very high93.4Very high96 Ų9655.8 Ų55.845%0.44928%0.283SS..Hα-helixtrans-65.3-43.7-176.2-170.864.655.900112.7P152 C158 L159 N160P152-Q156 WeakPolarHBondContact O-CB 3.19Å; P152-Q156 PolarHBondContact O-N 2.97Å; Q156-C158 VanDerWaalsContact C-N 3.34Å; Q156-C158 PolarHBondContact O-N 3.25Å; Q156-L159 PolarHBondContact O-N 3.41Å; Q156-N160 PolarHBondContact NE2-OD1 2.99Å; Q156-N160 VanDerWaalsContact NE2-OD1 3.16Å; Q156-N160 VanDerWaalsContact O-CG 3.25Å; Q156-N160 PolarHBondContact O-N 3.06Å; Q156-N160 PolarHBondContact O-ND2 3.21Å
157P94.8Very high93.1Very high75 Ų7561.7 Ų61.749%0.48731%0.311SS..Hα-helixtrans-56.3-44.6168.7-27.135000113.4D153 V154 L159 N160 W161D153-P157 WeakPolarHBondContact O-CD 3.31Å; D153-P157 WeakPolarHBondContact O-CG 2.99Å; V154-P157 WeakPolarHBondContact O-CD 3.47Å; P157-L159 PolarHBondContact O-N 2.83Å; P157-N160 PolarHBondContact O-N 3.1Å; P157-W161 WeakPolarHBondContact O-CB 3.44Å; P157-W161 PolarHBondContact O-N 2.83Å
158C93.8Very high92.9Very high12 Ų1263.8 Ų63.88%0.08132%0.321CS..Hα-helixtrans-62.8-40.1177.9-69.40000112.7I61 M119 V154 V155 Q156 W161 Y162I61-C158 HydrophobicContact CD1-CB 3.92Å; M119-C158 WeakPolarHBondContact O-CB 3.22Å; M119-C158 PolarHBondContact O-SG 2.98Å; M119-C158 VanDerWaalsContact O-SG 3.4Å; V154-C158 PolarHBondContact O-SG 2.89Å; V154-C158 VanDerWaalsContact O-SG 3.37Å; V155-C158 WeakPolarHBondContact O-CB 3.31Å; V155-C158 PolarHBondContact O-N 3.17Å; Q156-C158 VanDerWaalsContact C-N 3.34Å; Q156-C158 PolarHBondContact O-N 3.25Å; C158-W161 PolarHBondContact O-N 3.18Å; C158-Y162 WeakPolarHBondContact O-CB 3.45Å; C158-Y162 PolarHBondContact O-N 2.88Å
159L92.6Very high92.7Very high31 Ų3166.2 Ų66.216%0.16233%0.332CS..Hα-helixtrans-60.1-49.4173.4-81.9165.8000111.8P59 M87 P121 V155 Q156 P157 W161 Y162 S163P59-L159 HydrophobicContact CB-CD1 4.04Å; P59-L159 HydrophobicContact CB-CD2 4.19Å; P59-L159 HydrophobicContact CB-CG 4.5Å; P59-L159 HydrophobicContact CG-CD1 4.22Å; M87-L159 HydrophobicContact CE-CD2 3.38Å; M87-L159 HydrophobicContact SD-CD2 3.69Å; P121-L159 HydrophobicContact CB-CD2 3.9Å; P121-L159 HydrophobicContact CB-CG 4.06Å; P121-L159 HydrophobicContact CG-CB 4.32Å; P121-L159 HydrophobicContact CG-CD2 3.37Å; P121-L159 HydrophobicContact CG-CG 3.66Å; V155-L159 HydrophobicContact CG1-CD1 3.89Å; V155-L159 HydrophobicContact CG1-CG 4.16Å; V155-L159 PolarHBondContact O-N 3.46Å; Q156-L159 PolarHBondContact O-N 3.41Å; P157-L159 PolarHBondContact O-N 2.83Å; L159-W161 VanDerWaalsContact C-N 3.32Å; L159-W161 PolarHBondContact O-N 3.46Å; L159-Y162 PolarHBondContact O-N 3.49Å; L159-S163 WeakPolarHBondContact O-CB 3.47Å; L159-S163 PolarHBondContact O-N 3.28Å
160N93.3Very high92.5Very high87 Ų8768.4 Ų68.447%0.46535%0.351SS..Hα-helixtrans-63.1-42.2-179.6-67.5-16.3000111.1Q156 P157 K164Q156-N160 PolarHBondContact NE2-OD1 2.99Å; Q156-N160 VanDerWaalsContact NE2-OD1 3.16Å; Q156-N160 VanDerWaalsContact O-CG 3.25Å; Q156-N160 PolarHBondContact O-N 3.06Å; Q156-N160 PolarHBondContact O-ND2 3.21Å; P157-N160 PolarHBondContact O-N 3.1Å; N160-K164 WeakPolarHBondContact O-CG 3.35Å; N160-K164 PolarHBondContact O-N 3.23Å
161W94.3Very high92.6Very high73 Ų7367.8 Ų67.828%0.27735%0.348SS..Hα-helixtrans-63.5-51.1175.2176.285.4000111.4I115 Q118 P157 C158 L159 S163 K164 Y165I115-W161 HydrophobicContact CB-CH2 4.07Å; I115-W161 HydrophobicContact CG2-CH2 4.26Å; Q118-W161 HydrophobicContact CB-CD2 4.04Å; Q118-W161 HydrophobicContact CB-CE3 4.04Å; Q118-W161 HydrophobicContact CB-CH2 3.64Å; Q118-W161 HydrophobicContact CB-CZ2 3.59Å; Q118-W161 HydrophobicContact CB-CZ3 3.86Å; Q118-W161 HydrophobicContact CG-CD2 4.42Å; Q118-W161 HydrophobicContact CG-CH2 4.4Å; Q118-W161 HydrophobicContact CG-CZ2 3.85Å; P157-W161 WeakPolarHBondContact O-CB 3.44Å; P157-W161 PolarHBondContact O-N 2.83Å; C158-W161 PolarHBondContact O-N 3.18Å; L159-W161 VanDerWaalsContact C-N 3.32Å; L159-W161 PolarHBondContact O-N 3.46Å; W161-S163 VanDerWaalsContact C-N 3.32Å; W161-S163 PolarHBondContact O-N 2.73Å; W161-K164 WeakPolarHBondContact O-CB 3.38Å; W161-K164 PolarHBondContact O-N 3.42Å; W161-K164 VanDerWaalsContact O-N 3.11Å; W161-Y165 HydrophobicContact CH2-CD2 4.13Å; W161-Y165 HydrophobicContact CH2-CG 4.1Å; W161-Y165 AromaticContact CZ2-CD2 3.94Å; W161-Y165 HydrophobicContact CZ2-CD2 3.94Å; W161-Y165 HydrophobicContact CZ2-CG 4.21Å; W161-Y165 WeakPolarHBondContact O-CB 3.46Å; W161-Y165 PolarHBondContact O-N 3.04Å
162Y91.7Very high92.7Very high17 Ų1767 Ų677%0.06734%0.341CS..Hα-helixtrans-62.5-37.6-177.4-176-112.2000112.4M87 I115 F120 C158 L159 Y165 R166M87-Y162 HydrophobicContact CG-CD1 4.19Å; M87-Y162 HydrophobicContact CG-CE1 4.06Å; I115-Y162 HydrophobicContact CD1-CE2 4.06Å; F120-Y162 HydrophobicContact CB-CD2 3.6Å; F120-Y162 HydrophobicContact CB-CE2 3.91Å; F120-Y162 HydrophobicContact CB-CG 4.18Å; F120-Y162 HydrophobicContact CG-CE2 4.39Å; C158-Y162 WeakPolarHBondContact O-CB 3.45Å; C158-Y162 PolarHBondContact O-N 2.88Å; L159-Y162 PolarHBondContact O-N 3.49Å; Y162-Y165 PolarHBondContact O-N 2.97Å; Y162-R166 VanDerWaalsContact CE1-CD 3.48Å; Y162-R166 HydrophobicContact CE1-CG 4.24Å; Y162-R166 HydrophobicContact CE2-CG 4.33Å; Y162-R166 WeakPolarHBondContact O-CG 3.25Å; Y162-R166 PolarHBondContact O-N 2.9Å
163S91.1Very high92.8Very high78 Ų7864.6 Ų64.655%0.54532%0.324SS..Hα-helixtrans-62.3-46.6173.5-170.50000111.7L159 W161 R166 E167L159-S163 WeakPolarHBondContact O-CB 3.47Å; L159-S163 PolarHBondContact O-N 3.28Å; W161-S163 VanDerWaalsContact C-N 3.32Å; W161-S163 PolarHBondContact O-N 2.73Å; S163-R166 PolarHBondContact O-N 3.37Å; S163-E167 PolarHBondContact O-N 3.08Å
164K92Very high93Very high136 Ų13659.7 Ų59.759%0.59130%0.3SS*.Hα-helixtrans-64.2-41.2176.7-73.2176.5179.8-178.60111.7N160 W161 E167 Q168N160-K164 WeakPolarHBondContact O-CG 3.35Å; N160-K164 PolarHBondContact O-N 3.23Å; W161-K164 WeakPolarHBondContact O-CB 3.38Å; W161-K164 PolarHBondContact O-N 3.42Å; W161-K164 VanDerWaalsContact O-N 3.11Å; K164-E167 PolarHBondContact O-N 3.25Å; K164-Q168 WeakPolarHBondContact O-CB 3.46Å; K164-Q168 VanDerWaalsContact O-CG 3.25Å; K164-Q168 WeakPolarHBondContact O-CG 3.29Å; K164-Q168 PolarHBondContact O-N 3.3Å
165Y91Very high93.2Very high57 Ų5758.2 Ų58.222%0.22429%0.291CS..Hα-helixtrans-59.5-48.5176.9176.1-95.5000111.2I115 W161 Y162 E167 Q168 E169I115-Y165 HydrophobicContact CD1-CE1 4.46Å; I115-Y165 HydrophobicContact CG2-CE1 4.32Å; I115-Y165 HydrophobicContact CG2-CE2 4.33Å; W161-Y165 HydrophobicContact CH2-CD2 4.13Å; W161-Y165 HydrophobicContact CH2-CG 4.1Å; W161-Y165 AromaticContact CZ2-CD2 3.94Å; W161-Y165 HydrophobicContact CZ2-CD2 3.94Å; W161-Y165 HydrophobicContact CZ2-CG 4.21Å; W161-Y165 WeakPolarHBondContact O-CB 3.46Å; W161-Y165 PolarHBondContact O-N 3.04Å; Y162-Y165 PolarHBondContact O-N 2.97Å; Y165-E167 PolarHBondContact O-N 2.61Å; Y165-Q168 WeakPolarHBondContact O-CB 3.23Å; Y165-Q168 PolarHBondContact O-N 2.81Å; Y165-E169 HydrophobicContact CD1-CG 4.45Å; Y165-E169 HydrophobicContact CE1-CG 3.98Å; Y165-E169 HydrophobicContact CE2-CG 4.26Å; Y165-E169 PolarHBondContact O-N 3.21Å
166R89.1Confident93.2Very high113 Ų11358.9 Ų58.943%0.42629%0.294SS..Hα-helixtrans-61.9-40.9176.6-74.3-176.765.5-1560.7113Y162 S163 Q168 E169 A170Y162-R166 VanDerWaalsContact CE1-CD 3.48Å; Y162-R166 HydrophobicContact CE1-CG 4.24Å; Y162-R166 HydrophobicContact CE2-CG 4.33Å; Y162-R166 WeakPolarHBondContact O-CG 3.25Å; Y162-R166 PolarHBondContact O-N 2.9Å; S163-R166 PolarHBondContact O-N 3.37Å; R166-Q168 VanDerWaalsContact C-N 3.34Å; R166-E169 PolarHBondContact O-N 3.26Å; R166-A170 WeakPolarHBondContact O-CB 3.39Å; R166-A170 PolarHBondContact O-N 3.27Å
167E91.9Very high93.2Very high124 Ų12456 Ų5658%0.57928%0.28SS*.Hα-helixtrans-62.8-42.7175.1-175.9178.2-167.600111.2S163 K164 Y165 A170 I171S163-E167 PolarHBondContact O-N 3.08Å; K164-E167 PolarHBondContact O-N 3.25Å; Y165-E167 PolarHBondContact O-N 2.61Å; E167-A170 PolarHBondContact O-N 3.21Å; E167-I171 HydrophobicContact CG-CD1 4.07Å; E167-I171 WeakPolarHBondContact O-CG1 3.2Å; E167-I171 PolarHBondContact O-N 2.79Å
168Q92.4Very high93.1Very high92 Ų9254.8 Ų54.843%0.4327%0.267SS..Hα-helixtrans-61.4-46.1176.1-75.1173.5-13.200112.3K164 Y165 R166 I171 R172 I196K164-Q168 WeakPolarHBondContact O-CB 3.46Å; K164-Q168 VanDerWaalsContact O-CG 3.25Å; K164-Q168 WeakPolarHBondContact O-CG 3.29Å; K164-Q168 PolarHBondContact O-N 3.3Å; Y165-Q168 WeakPolarHBondContact O-CB 3.23Å; Y165-Q168 PolarHBondContact O-N 2.81Å; R166-Q168 VanDerWaalsContact C-N 3.34Å; Q168-I171 PolarHBondContact O-N 3.46Å; Q168-R172 WeakPolarHBondContact O-CG 3.36Å; Q168-R172 PolarHBondContact O-N 2.97Å; Q168-I196 HydrophobicContact CB-CD1 4.27Å; Q168-I196 HydrophobicContact CG-CD1 3.78Å; Q168-I196 HydrophobicContact CG-CG1 4.3Å
169E91.3Very high93.1Very high50 Ų5055.4 Ų55.423%0.23427%0.268CS..Hα-helixtrans-66.2-37.3178-73-58.8103.500112.3Y165 R166 R172 L173Y165-E169 HydrophobicContact CD1-CG 4.45Å; Y165-E169 HydrophobicContact CE1-CG 3.98Å; Y165-E169 HydrophobicContact CE2-CG 4.26Å; Y165-E169 PolarHBondContact O-N 3.21Å; R166-E169 PolarHBondContact O-N 3.26Å; E169-R172 PolarHBondContact O-N 3.47Å; E169-R172 WeakPolarHBondContact OE1-CD 3.42Å; E169-R172 IonicContact OE1-NE 3.97Å; E169-R172 PolarHBondContact OE1-NE 2.79Å; E169-L173 WeakPolarHBondContact O-CG 3.44Å; E169-L173 PolarHBondContact O-N 2.82Å
170A92.4Very high93Very high50 Ų5055 Ų5541%0.41327%0.265SS..Hα-helixtrans-62.3-43.6173.300000111.7R166 E167 L173 C174R166-A170 WeakPolarHBondContact O-CB 3.39Å; R166-A170 PolarHBondContact O-N 3.27Å; E167-A170 PolarHBondContact O-N 3.21Å; A170-L173 PolarHBondContact O-N 3.14Å; A170-C174 PolarHBondContact O-N 2.94Å; A170-C174 PolarHBondContact O-SG 2.89Å; A170-C174 VanDerWaalsContact O-SG 3.41Å
171I95.4Very high92.8Very high27 Ų2752.1 Ų52.114%0.13825%0.249CC..Hα-helixtrans-63.5-42.5175.5-69.7163.6000110.6E167 Q168 L173 C174 L175 L190 T194 I196E167-I171 HydrophobicContact CG-CD1 4.07Å; E167-I171 WeakPolarHBondContact O-CG1 3.2Å; E167-I171 PolarHBondContact O-N 2.79Å; Q168-I171 PolarHBondContact O-N 3.46Å; I171-L173 VanDerWaalsContact C-N 3.33Å; I171-L173 PolarHBondContact O-N 2.86Å; I171-C174 WeakPolarHBondContact O-CB 3.48Å; I171-C174 PolarHBondContact O-N 2.79Å; I171-L175 HydrophobicContact CG2-CD1 4.12Å; I171-L175 HydrophobicContact CG2-CG 4.34Å; I171-L175 WeakPolarHBondContact O-CG 3.35Å; I171-L175 PolarHBondContact O-N 2.99Å; I171-L190 HydrophobicContact CG2-CD2 4.24Å; I171-L190 HydrophobicContact CG2-CG 4.24Å; I171-T194 HydrophobicContact CD1-CG2 3.83Å; I171-T194 HydrophobicContact CG1-CG2 4.44Å; I171-T194 HydrophobicContact CG2-CG2 4.09Å; I171-I196 HydrophobicContact CB-CD1 3.99Å; I171-I196 HydrophobicContact CD1-CD1 3.47Å; I171-I196 VanDerWaalsContact CD1-CD1 3.47Å; I171-I196 HydrophobicContact CG1-CD1 4.32Å; I171-I196 HydrophobicContact CG2-CB 4.13Å; I171-I196 HydrophobicContact CG2-CD1 3.91Å; I171-I196 HydrophobicContact CG2-CG2 4.25Å
172R95.5Very high92.6Very high39 Ų3952.2 Ų52.215%0.14726%0.255CS..Hα-helixtrans-62.1-38.4175.8-73.1165.554.286.34.6112Q168 E169 L175 K176 I196 A197 L198 T730 P732Q168-R172 WeakPolarHBondContact O-CG 3.36Å; Q168-R172 PolarHBondContact O-N 2.97Å; E169-R172 PolarHBondContact O-N 3.47Å; E169-R172 WeakPolarHBondContact OE1-CD 3.42Å; E169-R172 IonicContact OE1-NE 3.97Å; E169-R172 PolarHBondContact OE1-NE 2.79Å; R172-L175 PolarHBondContact O-N 2.61Å; R172-K176 WeakPolarHBondContact O-CB 3.34Å; R172-K176 PolarHBondContact O-N 3.47Å; R172-I196 HydrophobicContact CG-CG2 3.6Å; R172-A197 PolarHBondContact NH1-O 2.99Å; R172-L198 HydrophobicContact CB-CD1 4.26Å; R172-L198 PolarHBondContact NH1-O 3.17Å; R172-L198 PolarHBondContact NH2-O 2.96Å; R172-L198 VanDerWaalsContact NH2-O 3.14Å; R172-L198 WeakPolarHBondContact O-CD1 3.35Å; R172-T730 PolarHBondContact NH2-O 2.97Å; R172-P732 HydrophobicContact CB-CG 3.5Å; R172-P732 VanDerWaalsContact CB-CG 3.5Å
173L94.4Very high92.6Very high25 Ų2555.8 Ų55.813%0.13127%0.269CS..Hα-helixtrans-63.2-41.8173.2-76.4168000112.3E169 A170 I171 K176 H177 P732 G734 L739E169-L173 WeakPolarHBondContact O-CG 3.44Å; E169-L173 PolarHBondContact O-N 2.82Å; A170-L173 PolarHBondContact O-N 3.14Å; I171-L173 VanDerWaalsContact C-N 3.33Å; I171-L173 PolarHBondContact O-N 2.86Å; L173-K176 PolarHBondContact O-N 3.43Å; L173-H177 WeakPolarHBondContact O-CB 3.31Å; L173-H177 PolarHBondContact O-N 3.06Å; L173-P732 HydrophobicContact CD2-CB 3.7Å; L173-P732 HydrophobicContact CD2-CG 4.38Å; L173-P732 HydrophobicContact CG-CB 4.06Å; L173-P732 HydrophobicContact CG-CG 4.33Å; L173-G734 VanDerWaalsContact CD2-O 3.27Å; L173-G734 WeakPolarHBondContact CD2-O 3.46Å; L173-L739 HydrophobicContact CD1-CD1 4.12Å
174C95.8Very high92.6Very high35 Ų3555.6 Ų55.624%0.23627%0.265CS..Hα-helixtrans-62.4-46.5173.3-66.90000111.7A170 I171 K176 H177 F178 L190A170-C174 PolarHBondContact O-N 2.94Å; A170-C174 PolarHBondContact O-SG 2.89Å; A170-C174 VanDerWaalsContact O-SG 3.41Å; I171-C174 WeakPolarHBondContact O-CB 3.48Å; I171-C174 PolarHBondContact O-N 2.79Å; C174-K176 VanDerWaalsContact C-N 3.32Å; C174-K176 PolarHBondContact O-N 3.26Å; C174-H177 PolarHBondContact O-N 3.27Å; C174-F178 HydrophobicContact CB-CE2 4.2Å; C174-F178 HydrophobicContact CB-CZ 4.41Å; C174-F178 WeakPolarHBondContact O-CB 2.93Å; C174-F178 WeakPolarHBondContact O-CD2 3.2Å; C174-F178 WeakPolarHBondContact O-CG 3.12Å; C174-F178 PolarHBondContact O-N 3.14Å; C174-L190 HydrophobicContact CB-CD2 3.8Å
175L96.3Very high92.7Very high0 Ų056.9 Ų56.90%027%0.273CS..Hα-helixtrans-59.1-42.3176.4-71.6176.2000111.6I171 R172 R179 F187 L190 Q191 I196 L198I171-L175 HydrophobicContact CG2-CD1 4.12Å; I171-L175 HydrophobicContact CG2-CG 4.34Å; I171-L175 WeakPolarHBondContact O-CG 3.35Å; I171-L175 PolarHBondContact O-N 2.99Å; R172-L175 PolarHBondContact O-N 2.61Å; L175-R179 WeakPolarHBondContact O-CB 3.47Å; L175-R179 PolarHBondContact O-N 3.18Å; L175-F187 HydrophobicContact CB-CD2 4.15Å; L175-F187 HydrophobicContact CB-CE2 3.79Å; L175-F187 HydrophobicContact CD2-CD2 3.83Å; L175-F187 HydrophobicContact CD2-CE2 3.84Å; L175-F187 HydrophobicContact CD2-CG 4.34Å; L175-F187 HydrophobicContact CD2-CZ 4.33Å; L175-F187 WeakPolarHBondContact CD2-O 3.49Å; L175-F187 HydrophobicContact CG-CE2 4.33Å; L175-F187 VanDerWaalsContact O-CD2 3.24Å; L175-F187 WeakPolarHBondContact O-CD2 3.3Å; L175-F187 WeakPolarHBondContact O-CE2 3.19Å; L175-L190 HydrophobicContact CD2-CB 4.04Å; L175-L190 HydrophobicContact CD2-CD2 3.99Å; L175-L190 HydrophobicContact CD2-CG 4.09Å; L175-L190 HydrophobicContact CG-CD2 4.18Å; L175-Q191 HydrophobicContact CD2-CB 3.99Å; L175-I196 WeakPolarHBondContact CD1-O 3.11Å; L175-L198 HydrophobicContact CB-CB 4.28Å; L175-L198 HydrophobicContact CB-CD1 4.04Å
176K94.6Very high92.9Very high20 Ų2056 Ų569%0.08728%0.277CS..Hα-helixtrans-59.2-50.9174-176.5-178172.5-172.30111.2R172 L173 C174 F178 R179 Q180 L198 P731 P732 K733 G734 N735R172-K176 WeakPolarHBondContact O-CB 3.34Å; R172-K176 PolarHBondContact O-N 3.47Å; L173-K176 PolarHBondContact O-N 3.43Å; C174-K176 VanDerWaalsContact C-N 3.32Å; C174-K176 PolarHBondContact O-N 3.26Å; K176-F178 PolarHBondContact O-N 2.77Å; K176-R179 PolarHBondContact O-N 3.4Å; K176-Q180 HydrophobicContact CG-CG 4.48Å; K176-Q180 WeakPolarHBondContact O-CG 3.24Å; K176-Q180 PolarHBondContact O-N 2.83Å; K176-L198 HydrophobicContact CB-CD1 3.91Å; K176-L198 HydrophobicContact CB-CD2 4.32Å; K176-P731 HydrophobicContact CD-CB 4.29Å; K176-P732 WeakPolarHBondContact CD-O 3.32Å; K176-P732 PolarHBondContact NZ-O 2.99Å; K176-K733 PolarHBondContact NZ-O 3.25Å; K176-G734 PolarHBondContact NZ-O 3.01Å; K176-N735 PolarHBondContact NZ-OD1 2.9Å
177H92.8Very high93.2Very high35 Ų3551.7 Ų51.716%0.16226%0.262CS..Hα-helixtrans-60.5-47.7-178.6-179.772.3000112L173 C174 R179 Q180 H181 L736L173-H177 WeakPolarHBondContact O-CB 3.31Å; L173-H177 PolarHBondContact O-N 3.06Å; C174-H177 PolarHBondContact O-N 3.27Å; H177-R179 VanDerWaalsContact C-N 3.31Å; H177-R179 PolarHBondContact O-N 3.44Å; H177-Q180 PolarHBondContact O-N 2.86Å; H177-H181 AromaticContact CE1-CE1 3.37Å; H177-H181 PolarHBondContact CE1-CE1 3.45Å; H177-H181 AromaticContact CE1-ND1 3.74Å; H177-H181 AromaticContact CE1-NE2 3.53Å; H177-H181 AromaticContact ND1-CE1 3.58Å; H177-H181 AromaticContact ND1-ND1 3.79Å; H177-H181 PolarHBondContact O-N 2.77Å; H177-H181 PolarHBondContact O-ND1 2.8Å; H177-H181 VanDerWaalsContact O-ND1 3.1Å; H177-L736 HydrophobicContact CB-CB 4.06Å; H177-L736 HydrophobicContact CB-CD2 3.93Å
178F94.2Very high93.3Very high50 Ų5051.7 Ų51.722%0.21926%0.262CS..Hα-helixtrans-62.1-39.2177.3-62.8-21000112.3C174 K176 H181 N182 Y183 A186 F187 L190C174-F178 HydrophobicContact CB-CE2 4.2Å; C174-F178 HydrophobicContact CB-CZ 4.41Å; C174-F178 WeakPolarHBondContact O-CB 2.93Å; C174-F178 WeakPolarHBondContact O-CD2 3.2Å; C174-F178 WeakPolarHBondContact O-CG 3.12Å; C174-F178 PolarHBondContact O-N 3.14Å; K176-F178 PolarHBondContact O-N 2.77Å; F178-H181 PolarHBondContact O-N 2.84Å; F178-N182 PolarHBondContact O-N 2.79Å; F178-Y183 AromaticContact CD1-CD2 3.94Å; F178-Y183 HydrophobicContact CD1-CD2 3.94Å; F178-Y183 PolarHBondContact O-N 3.15Å; F178-A186 HydrophobicContact CD2-CB 3.93Å; F178-A186 HydrophobicContact CE2-CB 4.1Å; F178-A186 HydrophobicContact CG-CB 4.19Å; F178-F187 HydrophobicContact CB-CB 4.12Å; F178-L190 HydrophobicContact CD2-CD2 4.38Å; F178-L190 HydrophobicContact CE2-CD2 3.9Å
179R92.5Very high93.5Very high25 Ų2551.1 Ų51.19%0.09427%0.268CS..Hα-helixtrans-63.5-50.8174.6-171.4178.7-62.3-175.2-6.4111.1L175 K176 H177 H181 N182 F187 E199 Y711L175-R179 WeakPolarHBondContact O-CB 3.47Å; L175-R179 PolarHBondContact O-N 3.18Å; K176-R179 PolarHBondContact O-N 3.4Å; H177-R179 VanDerWaalsContact C-N 3.31Å; H177-R179 PolarHBondContact O-N 3.44Å; R179-H181 PolarHBondContact O-N 2.89Å; R179-H181 VanDerWaalsContact O-N 3.15Å; R179-N182 PolarHBondContact O-N 2.96Å; R179-F187 HydrophobicContact CB-CD2 4.02Å; R179-F187 HydrophobicContact CB-CE2 4.21Å; R179-E199 IonicContact CZ-OE1 3.11Å; R179-E199 IonicContact NH1-OE1 2.7Å; R179-E199 PolarHBondContact NH1-OE1 3.14Å; R179-E199 IonicContact NH1-OE2 3.42Å; R179-Y711 PolarHBondContact O-OH 2.92Å
180Q90.1Very high93.8Very high22 Ų2251 Ų5110%0.10327%0.268CS..Hα-helixtrans-58.8-29.6-180-74.3176.4-36.200113.3K176 H177 F704 T715 D719K176-Q180 HydrophobicContact CG-CG 4.48Å; K176-Q180 WeakPolarHBondContact O-CG 3.24Å; K176-Q180 PolarHBondContact O-N 2.83Å; H177-Q180 PolarHBondContact O-N 2.86Å; Q180-F704 HydrophobicContact CB-CE1 3.77Å; Q180-F704 HydrophobicContact CB-CZ 4.22Å; Q180-F704 HydrophobicContact CG-CE1 4.26Å; Q180-F704 HydrophobicContact CG-CZ 4.31Å; Q180-F704 VanDerWaalsContact O-CD1 3.29Å; Q180-F704 WeakPolarHBondContact O-CD1 3.25Å; Q180-F704 VanDerWaalsContact O-CE1 3.23Å; Q180-F704 WeakPolarHBondContact O-CE1 3.45Å; Q180-T715 HydrophobicContact CG-CG2 4.08Å; Q180-D719 PolarHBondContact NE2-OD2 3.33Å
181H89.3Confident93.9Very high27 Ų2751.6 Ų51.613%0.12526%0.263CS..THydrogen-bonded Turntrans-96.48.9178.4-67.154000113.4H177 F178 R179 Y183 G703 V707H177-H181 AromaticContact CE1-CE1 3.37Å; H177-H181 PolarHBondContact CE1-CE1 3.45Å; H177-H181 AromaticContact CE1-ND1 3.74Å; H177-H181 AromaticContact CE1-NE2 3.53Å; H177-H181 AromaticContact ND1-CE1 3.58Å; H177-H181 AromaticContact ND1-ND1 3.79Å; H177-H181 PolarHBondContact O-N 2.77Å; H177-H181 PolarHBondContact O-ND1 2.8Å; H177-H181 VanDerWaalsContact O-ND1 3.1Å; F178-H181 PolarHBondContact O-N 2.84Å; R179-H181 PolarHBondContact O-N 2.89Å; R179-H181 VanDerWaalsContact O-N 3.15Å; H181-Y183 HydrophobicContact CB-CD1 4.09Å; H181-Y183 HydrophobicContact CB-CD2 3.8Å; H181-Y183 HydrophobicContact CB-CE1 3.85Å; H181-Y183 HydrophobicContact CB-CE2 3.53Å; H181-Y183 HydrophobicContact CB-CG 4.06Å; H181-Y183 VanDerWaalsContact O-CD1 3.26Å; H181-Y183 WeakPolarHBondContact O-CD1 3.09Å; H181-Y183 WeakPolarHBondContact O-CE1 3.27Å; H181-Y183 PolarHBondContact O-N 2.76Å; H181-G703 PolarHBondContact CE1-O 3.28Å; H181-G703 VanDerWaalsContact CE1-O 3.26Å; H181-G703 PolarHBondContact NE2-O 2.9Å; H181-V707 VanDerWaalsContact C-CG1 3.43Å; H181-V707 VanDerWaalsContact O-CG1 3.3Å; H181-V707 WeakPolarHBondContact O-CG1 3.35Å
182N90.4Very high93.9Very high74 Ų7458.9 Ų58.940%0.39629%0.293SS..THydrogen-bonded Turntrans56.229.6-178.1-161.129.6000114.4F178 R179 T184 V707 Y711F178-N182 PolarHBondContact O-N 2.79Å; R179-N182 PolarHBondContact O-N 2.96Å; N182-T184 PolarHBondContact O-N 2.86Å; N182-V707 HydrophobicContact CB-CG1 3.87Å; N182-Y711 HydrophobicContact CB-CE1 4.02Å; N182-Y711 HydrophobicContact CB-CE2 4.2Å
183Y92.8Very high94Very high92 Ų9265.6 Ų65.636%0.36132%0.324SS..  trans-81.365.1174.8-57.8-24.5000110.8F178 H181 E185 A186 F187F178-Y183 AromaticContact CD1-CD2 3.94Å; F178-Y183 HydrophobicContact CD1-CD2 3.94Å; F178-Y183 PolarHBondContact O-N 3.15Å; H181-Y183 HydrophobicContact CB-CD1 4.09Å; H181-Y183 HydrophobicContact CB-CD2 3.8Å; H181-Y183 HydrophobicContact CB-CE1 3.85Å; H181-Y183 HydrophobicContact CB-CE2 3.53Å; H181-Y183 HydrophobicContact CB-CG 4.06Å; H181-Y183 VanDerWaalsContact O-CD1 3.26Å; H181-Y183 WeakPolarHBondContact O-CD1 3.09Å; H181-Y183 WeakPolarHBondContact O-CE1 3.27Å; H181-Y183 PolarHBondContact O-N 2.76Å; Y183-E185 PolarHBondContact O-N 3.02Å; Y183-A186 PolarHBondContact O-N 3.36Å; Y183-F187 WeakPolarHBondContact O-CB 3.49Å; Y183-F187 PolarHBondContact O-N 3.09Å
184T89.9Confident94Very high75 Ų7566.4 Ų66.446%0.4633%0.33SS..Hα-helixtrans-56-46.6-172.833.70000113.9N182 A186 F187 E188N182-T184 PolarHBondContact O-N 2.86Å; T184-A186 VanDerWaalsContact C-N 3.33Å; T184-A186 PolarHBondContact O-N 2.96Å; T184-F187 WeakPolarHBondContact O-CB 3.42Å; T184-F187 PolarHBondContact O-N 2.76Å; T184-E188 WeakPolarHBondContact O-CG 3.48Å; T184-E188 PolarHBondContact O-N 2.81Å
185E93.9Very high94Very high162 Ų16275.8 Ų75.876%0.75736%0.36SS*.Hα-helixtrans-60.6-41.5179.6-66.4-174.5178.500112.6Y183 S189Y183-E185 PolarHBondContact O-N 3.02Å; E185-S189 WeakPolarHBondContact O-CB 3.44Å; E185-S189 PolarHBondContact O-N 2.73Å; E185-S189 PolarHBondContact O-OG 3.28Å
186A95.1Very high93.9Very high39 Ų3977.1 Ų77.132%0.32237%0.367SS..Hα-helixtrans-69.1-42.8178.100000111.3F178 Y183 T184 L190F178-A186 HydrophobicContact CD2-CB 3.93Å; F178-A186 HydrophobicContact CE2-CB 4.1Å; F178-A186 HydrophobicContact CG-CB 4.19Å; Y183-A186 PolarHBondContact O-N 3.36Å; T184-A186 VanDerWaalsContact C-N 3.33Å; T184-A186 PolarHBondContact O-N 2.96Å; A186-L190 VanDerWaalsContact O-CB 3.31Å; A186-L190 WeakPolarHBondContact O-CB 3.31Å; A186-L190 PolarHBondContact O-N 3.18Å
187F95.3Very high93.9Very high23 Ų2378.6 Ų78.610%0.10138%0.383CS..Hα-helixtrans-56.9-55.5175.7178.9-86.7000111.4L175 F178 R179 Y183 T184 S189 L190 Q191 L198L175-F187 HydrophobicContact CB-CD2 4.15Å; L175-F187 HydrophobicContact CB-CE2 3.79Å; L175-F187 HydrophobicContact CD2-CD2 3.83Å; L175-F187 HydrophobicContact CD2-CE2 3.84Å; L175-F187 HydrophobicContact CD2-CG 4.34Å; L175-F187 HydrophobicContact CD2-CZ 4.33Å; L175-F187 WeakPolarHBondContact CD2-O 3.49Å; L175-F187 HydrophobicContact CG-CE2 4.33Å; L175-F187 VanDerWaalsContact O-CD2 3.24Å; L175-F187 WeakPolarHBondContact O-CD2 3.3Å; L175-F187 WeakPolarHBondContact O-CE2 3.19Å; F178-F187 HydrophobicContact CB-CB 4.12Å; R179-F187 HydrophobicContact CB-CD2 4.02Å; R179-F187 HydrophobicContact CB-CE2 4.21Å; Y183-F187 WeakPolarHBondContact O-CB 3.49Å; Y183-F187 PolarHBondContact O-N 3.09Å; T184-F187 WeakPolarHBondContact O-CB 3.42Å; T184-F187 PolarHBondContact O-N 2.76Å; F187-S189 PolarHBondContact O-N 3.22Å; F187-L190 PolarHBondContact O-N 3.08Å; F187-Q191 VanDerWaalsContact CE1-OE1 3.28Å; F187-Q191 VanDerWaalsContact O-CB 3.32Å; F187-Q191 WeakPolarHBondContact O-CB 3.4Å; F187-Q191 PolarHBondContact O-N 2.97Å; F187-L198 HydrophobicContact CE2-CB 4.46Å; F187-L198 HydrophobicContact CE2-CD2 4.32Å
188E94.7Very high94Very high124 Ų12477 Ų7758%0.57938%0.376SS*.Hα-helixtrans-65.4-42.3-176.9-70.3-179.7-179.400112T184 Q191 K192T184-E188 WeakPolarHBondContact O-CG 3.48Å; T184-E188 PolarHBondContact O-N 2.81Å; E188-Q191 PolarHBondContact O-N 2.82Å; E188-K192 WeakPolarHBondContact O-CB 3.37Å; E188-K192 PolarHBondContact O-N 3.05Å
189S96.9Very high94Very high80 Ų8075 Ų7556%0.55937%0.367SS*.Hα-helixtrans-61.9-46179.1-65.60000111.7E185 F187 K193E185-S189 WeakPolarHBondContact O-CB 3.44Å; E185-S189 PolarHBondContact O-N 2.73Å; E185-S189 PolarHBondContact O-OG 3.28Å; F187-S189 PolarHBondContact O-N 3.22Å; S189-K193 VanDerWaalsContact O-CB 3.28Å; S189-K193 WeakPolarHBondContact O-CB 3.31Å; S189-K193 PolarHBondContact O-N 2.73Å
190L96.6Very high94.2Very high46 Ų4678 Ų7824%0.24138%0.382CS..Hα-helixtrans-67.7-45.2179.1-177.462.2000111.2I171 C174 L175 F178 A186 F187 K192 K193 T194I171-L190 HydrophobicContact CG2-CD2 4.24Å; I171-L190 HydrophobicContact CG2-CG 4.24Å; C174-L190 HydrophobicContact CB-CD2 3.8Å; L175-L190 HydrophobicContact CD2-CB 4.04Å; L175-L190 HydrophobicContact CD2-CD2 3.99Å; L175-L190 HydrophobicContact CD2-CG 4.09Å; L175-L190 HydrophobicContact CG-CD2 4.18Å; F178-L190 HydrophobicContact CD2-CD2 4.38Å; F178-L190 HydrophobicContact CE2-CD2 3.9Å; A186-L190 VanDerWaalsContact O-CB 3.31Å; A186-L190 WeakPolarHBondContact O-CB 3.31Å; A186-L190 PolarHBondContact O-N 3.18Å; F187-L190 PolarHBondContact O-N 3.08Å; L190-K192 PolarHBondContact O-N 3.47Å; L190-K193 PolarHBondContact O-N 2.97Å; L190-T194 HydrophobicContact CD1-CG2 3.69Å; L190-T194 HydrophobicContact CG-CG2 4.33Å; L190-T194 WeakPolarHBondContact O-CB 3.42Å; L190-T194 VanDerWaalsContact O-CG2 3.29Å; L190-T194 WeakPolarHBondContact O-CG2 3.34Å; L190-T194 PolarHBondContact O-N 3.1Å; L190-T194 PolarHBondContact O-OG1 3.5Å
191Q95.5Very high94.5Very high63 Ų6381.5 Ų81.529%0.29441%0.407SS..Hα-helixtrans-61.7-46.4178.9-176.2172.950.100111.3L175 F187 E188 K193 T194 R195L175-Q191 HydrophobicContact CD2-CB 3.99Å; F187-Q191 VanDerWaalsContact CE1-OE1 3.28Å; F187-Q191 VanDerWaalsContact O-CB 3.32Å; F187-Q191 WeakPolarHBondContact O-CB 3.4Å; F187-Q191 PolarHBondContact O-N 2.97Å; E188-Q191 PolarHBondContact O-N 2.82Å; Q191-K193 PolarHBondContact O-N 2.92Å; Q191-T194 PolarHBondContact O-N 3.07Å; Q191-R195 VanDerWaalsContact O-CA 3.29Å; Q191-R195 WeakPolarHBondContact O-CA 3.44Å; Q191-R195 PolarHBondContact O-N 2.92Å
192K95.9Very high94.8Very high180 Ų18081.5 Ų81.578%0.78341%0.407SS*.Hα-helixtrans-63.1-40.3178.9-176.3177.8-178.5176.80112.3E188 L190E188-K192 WeakPolarHBondContact O-CB 3.37Å; E188-K192 PolarHBondContact O-N 3.05Å; L190-K192 PolarHBondContact O-N 3.47Å
193K96.6Very high95.1Very high181 Ų18178 Ų7879%0.78739%0.388SS*.Hα-helixtrans-70.4-42.5-179.2-176.464.8176.7-172.80112.2S189 L190 Q191S189-K193 VanDerWaalsContact O-CB 3.28Å; S189-K193 WeakPolarHBondContact O-CB 3.31Å; S189-K193 PolarHBondContact O-N 2.73Å; L190-K193 PolarHBondContact O-N 2.97Å; Q191-K193 PolarHBondContact O-N 2.92Å
194T95.7Very high95.2Very high42 Ų4275.5 Ų75.526%0.25838%0.383SS..Hα-helixtrans-89.3-23.4-173.861.20000113.2I171 L190 Q191 I196I171-T194 HydrophobicContact CD1-CG2 3.83Å; I171-T194 HydrophobicContact CG1-CG2 4.44Å; I171-T194 HydrophobicContact CG2-CG2 4.09Å; L190-T194 HydrophobicContact CD1-CG2 3.69Å; L190-T194 HydrophobicContact CG-CG2 4.33Å; L190-T194 WeakPolarHBondContact O-CB 3.42Å; L190-T194 VanDerWaalsContact O-CG2 3.29Å; L190-T194 WeakPolarHBondContact O-CG2 3.34Å; L190-T194 PolarHBondContact O-N 3.1Å; L190-T194 PolarHBondContact O-OG1 3.5Å; Q191-T194 PolarHBondContact O-N 3.07Å; T194-I196 PolarHBondContact O-N 2.84Å; T194-I196 PolarHBondContact OG1-N 3.4Å
195R95.3Very high95.6Very high232 Ų23276.5 Ų76.588%0.87538%0.382SS*.  trans58.823-171.5-52.2179.6-179.1178.1-0.7113.6Q191Q191-R195 VanDerWaalsContact O-CA 3.29Å; Q191-R195 WeakPolarHBondContact O-CA 3.44Å; Q191-R195 PolarHBondContact O-N 2.92Å
196I94.4Very high95.7Very high27 Ų2769 Ų6914%0.13835%0.347CS..  trans-94.6125.3178-67.5166.3000108.8Q168 I171 R172 L175 T194Q168-I196 HydrophobicContact CB-CD1 4.27Å; Q168-I196 HydrophobicContact CG-CD1 3.78Å; Q168-I196 HydrophobicContact CG-CG1 4.3Å; I171-I196 HydrophobicContact CB-CD1 3.99Å; I171-I196 HydrophobicContact CD1-CD1 3.47Å; I171-I196 VanDerWaalsContact CD1-CD1 3.47Å; I171-I196 HydrophobicContact CG1-CD1 4.32Å; I171-I196 HydrophobicContact CG2-CB 4.13Å; I171-I196 HydrophobicContact CG2-CD1 3.91Å; I171-I196 HydrophobicContact CG2-CG2 4.25Å; R172-I196 HydrophobicContact CG-CG2 3.6Å; L175-I196 WeakPolarHBondContact CD1-O 3.11Å; T194-I196 PolarHBondContact O-N 2.84Å; T194-I196 PolarHBondContact OG1-N 3.4Å
197A94Very high95.8Very high52 Ų5267.5 Ų67.543%0.4333%0.333SS..  trans-80.4141.217400000110.8R172 E199R172-A197 PolarHBondContact NH1-O 2.99Å; A197-E199 VanDerWaalsContact C-N 3.32Å
198L95Very high95.9Very high2 Ų269 Ų691%0.0134%0.342CS..SBendtrans-68.6-34.6172.8178.559000111.8R172 L175 K176 F187 P731R172-L198 HydrophobicContact CB-CD1 4.26Å; R172-L198 PolarHBondContact NH1-O 3.17Å; R172-L198 PolarHBondContact NH2-O 2.96Å; R172-L198 VanDerWaalsContact NH2-O 3.14Å; R172-L198 WeakPolarHBondContact O-CD1 3.35Å; L175-L198 HydrophobicContact CB-CB 4.28Å; L175-L198 HydrophobicContact CB-CD1 4.04Å; K176-L198 HydrophobicContact CB-CD1 3.91Å; K176-L198 HydrophobicContact CB-CD2 4.32Å; F187-L198 HydrophobicContact CE2-CB 4.46Å; F187-L198 HydrophobicContact CE2-CD2 4.32Å; L198-P731 HydrophobicContact CD1-CB 4.09Å; L198-P731 HydrophobicContact CD2-CB 4.46Å; L198-P731 HydrophobicContact CD2-CG 4.41Å; L198-P731 HydrophobicContact CG-CB 4.18Å; L198-P731 HydrophobicContact CG-CG 4.3Å
199E94.9Very high96Very high8 Ų863.3 Ų63.34%0.03732%0.316CS..SBendtrans-164.6177.6-169.763.3-172.4-178.900109.4R179 A197 L203 T204 F718 M729 P731R179-E199 IonicContact CZ-OE1 3.11Å; R179-E199 IonicContact NH1-OE1 2.7Å; R179-E199 PolarHBondContact NH1-OE1 3.14Å; R179-E199 IonicContact NH1-OE2 3.42Å; A197-E199 VanDerWaalsContact C-N 3.32Å; E199-L203 HydrophobicContact CB-CB 4.34Å; E199-L203 HydrophobicContact CB-CD1 4.5Å; E199-L203 HydrophobicContact CG-CB 3.97Å; E199-T204 WeakPolarHBondContact CG-OG1 3.29Å; E199-T204 WeakPolarHBondContact OE1-CA 3.41Å; E199-T204 PolarHBondContact OE1-N 3.33Å; E199-T204 PolarHBondContact OE1-OG1 3.32Å; E199-F718 WeakPolarHBondContact OE2-CZ 3.48Å; E199-M729 WeakPolarHBondContact CA-O 3.47Å; E199-M729 VanDerWaalsContact CB-O 3.31Å; E199-M729 WeakPolarHBondContact CB-O 3.35Å; E199-P731 HydrophobicContact CB-CG 4.18Å; E199-P731 WeakPolarHBondContact OE2-CD 3.34Å; E199-P731 WeakPolarHBondContact OE2-CG 3.38Å
200H96.1Very high96Very high86 Ų8659.5 Ų59.540%0.39829%0.289SS..  trans-63.9142.1176.2-172.6-93.5000111.9M202 L203 T204 M729H200-M202 WeakPolarHBondContact ND1-CB 3.36Å; H200-M202 PolarHBondContact ND1-N 2.99Å; H200-M202 PolarHBondContact O-N 3.03Å; H200-L203 PolarHBondContact O-N 3.16Å; H200-T204 PolarHBondContact O-N 2.79Å; H200-M729 HydrophobicContact CB-CB 3.88Å; H200-M729 HydrophobicContact CB-CE 3.66Å; H200-M729 HydrophobicContact CB-CG 4.15Å; H200-M729 PolarHBondContact N-O 3.2Å; H200-M729 VanDerWaalsContact ND1-CE 3.31Å; H200-M729 WeakPolarHBondContact ND1-CE 3.42Å
201P95.8Very high95.9Very high97 Ų9757.4 Ų57.463%0.6328%0.279SS*.Hα-helixtrans-53.1-33.2-176.8-29.935.7000115.3T204 H205P201-T204 PolarHBondContact O-N 2.76Å; P201-H205 PolarHBondContact O-N 2.9Å
202M95.6Very high95.9Very high27 Ų2758.8 Ų58.813%0.13329%0.288CS..Hα-helixtrans-65.3-37.3175.4-175.1-161.477.700112.7H200 T204 H205 L206 A226 L231 F725 M729H200-M202 WeakPolarHBondContact ND1-CB 3.36Å; H200-M202 PolarHBondContact ND1-N 2.99Å; H200-M202 PolarHBondContact O-N 3.03Å; M202-T204 VanDerWaalsContact C-N 3.35Å; M202-H205 PolarHBondContact O-N 2.9Å; M202-L206 PolarHBondContact O-N 2.85Å; M202-A226 HydrophobicContact CE-CB 4.25Å; M202-A226 HydrophobicContact SD-CB 4.33Å; M202-L231 HydrophobicContact CE-CD1 3.57Å; M202-L231 HydrophobicContact SD-CD1 3.59Å; M202-L231 VanDerWaalsContact SD-CD1 3.59Å; M202-F725 HydrophobicContact CE-CD1 3.8Å; M202-F725 HydrophobicContact CE-CE1 3.11Å; M202-F725 HydrophobicContact CE-CZ 3.71Å; M202-M729 HydrophobicContact CE-CE 3.98Å
203L96.8Very high95.8Very high0 Ų056.2 Ų56.20%028%0.279CS..Hα-helixtrans-71.9-33.6175.1-63.5-174.2000111E199 H200 H205 L206 H207 F718 V722 F725 M729 T730E199-L203 HydrophobicContact CB-CB 4.34Å; E199-L203 HydrophobicContact CB-CD1 4.5Å; E199-L203 HydrophobicContact CG-CB 3.97Å; H200-L203 PolarHBondContact O-N 3.16Å; L203-H205 VanDerWaalsContact C-N 3.32Å; L203-H205 PolarHBondContact O-N 2.83Å; L203-L206 HydrophobicContact CD2-CD2 4.3Å; L203-L206 WeakPolarHBondContact O-CB 3.43Å; L203-L206 PolarHBondContact O-N 2.94Å; L203-H207 PolarHBondContact O-N 2.92Å; L203-F718 HydrophobicContact CB-CZ 4.38Å; L203-F718 VanDerWaalsContact O-CE2 3.29Å; L203-F718 WeakPolarHBondContact O-CE2 3.37Å; L203-V722 HydrophobicContact CD1-CG1 4.21Å; L203-V722 HydrophobicContact CD1-CG2 4.35Å; L203-V722 HydrophobicContact CD2-CG2 4.34Å; L203-F725 HydrophobicContact CD2-CD1 4.09Å; L203-F725 HydrophobicContact CD2-CD2 3.87Å; L203-F725 HydrophobicContact CD2-CE1 4.11Å; L203-F725 HydrophobicContact CD2-CE2 3.86Å; L203-F725 HydrophobicContact CD2-CG 3.96Å; L203-F725 HydrophobicContact CD2-CZ 3.96Å; L203-M729 HydrophobicContact CD1-CB 4.14Å; L203-M729 WeakPolarHBondContact CD1-O 3.44Å; L203-T730 HydrophobicContact CD1-CG2 4.23Å
204T96.1Very high95.7Very high40 Ų4048.4 Ų48.425%0.24525%0.249CC..Hα-helixtrans-62.7-42.5171-60.60000111.1E199 H200 P201 M202 L206 H207 D208E199-T204 WeakPolarHBondContact CG-OG1 3.29Å; E199-T204 WeakPolarHBondContact OE1-CA 3.41Å; E199-T204 PolarHBondContact OE1-N 3.33Å; E199-T204 PolarHBondContact OE1-OG1 3.32Å; H200-T204 PolarHBondContact O-N 2.79Å; P201-T204 PolarHBondContact O-N 2.76Å; M202-T204 VanDerWaalsContact C-N 3.35Å; T204-L206 PolarHBondContact O-N 3.26Å; T204-H207 WeakPolarHBondContact O-CB 3.12Å; T204-H207 PolarHBondContact O-N 3.03Å; T204-D208 VanDerWaalsContact O-CG 3.22Å; T204-D208 PolarHBondContact O-N 2.92Å
205H97.1Very high95.8Very high95 Ų9549.3 Ų49.344%0.4425%0.252SS..Hα-helixtrans-64.6-38.9174.4-171.834.5000112.7P201 M202 L203 H207 D208 C209P201-H205 PolarHBondContact O-N 2.9Å; M202-H205 PolarHBondContact O-N 2.9Å; L203-H205 VanDerWaalsContact C-N 3.32Å; L203-H205 PolarHBondContact O-N 2.83Å; H205-H207 VanDerWaalsContact C-N 3.34Å; H205-D208 PolarHBondContact O-N 3.26Å; H205-C209 PolarHBondContact CE1-SG 3.32Å; H205-C209 PolarHBondContact O-N 2.99Å; H205-C209 PolarHBondContact O-SG 2.66Å
206L97.3Very high95.9Very high4 Ų438.7 Ų38.72%0.02121%0.212CC..Hα-helixtrans-61.3-42.8173.7-18065.4000111.5M202 L203 T204 L210 C219 L222 I223 F718M202-L206 PolarHBondContact O-N 2.85Å; L203-L206 HydrophobicContact CD2-CD2 4.3Å; L203-L206 WeakPolarHBondContact O-CB 3.43Å; L203-L206 PolarHBondContact O-N 2.94Å; T204-L206 PolarHBondContact O-N 3.26Å; L206-L210 WeakPolarHBondContact O-CB 3.38Å; L206-L210 PolarHBondContact O-N 3.17Å; L206-C219 HydrophobicContact CD1-CB 4.03Å; L206-L222 HydrophobicContact CB-CD1 4.24Å; L206-L222 HydrophobicContact CD1-CB 4.35Å; L206-L222 HydrophobicContact CD1-CD1 4.27Å; L206-I223 HydrophobicContact CD2-CD1 4.24Å; L206-F718 HydrophobicContact CB-CE2 4.23Å; L206-F718 HydrophobicContact CD2-CD2 4.29Å; L206-F718 HydrophobicContact CD2-CE2 4.19Å; L206-F718 HydrophobicContact CG-CD2 4.18Å; L206-F718 HydrophobicContact CG-CE2 4.17Å
207H96.9Very high96Very high9 Ų941.3 Ų41.34%0.04223%0.227CC..Hα-helixtrans-60.6-45.1174173.6-83.2000111.4L203 T204 H205 L210 V211 L212 F718L203-H207 PolarHBondContact O-N 2.92Å; T204-H207 WeakPolarHBondContact O-CB 3.12Å; T204-H207 PolarHBondContact O-N 3.03Å; H205-H207 VanDerWaalsContact C-N 3.34Å; H207-L210 PolarHBondContact O-N 3.48Å; H207-V211 WeakPolarHBondContact O-CA 3.39Å; H207-V211 VanDerWaalsContact O-CB 3.28Å; H207-V211 WeakPolarHBondContact O-CB 3.36Å; H207-V211 PolarHBondContact O-N 3.37Å; H207-L212 PolarHBondContact O-N 3.04Å; H207-F718 HydrophobicContact CB-CD2 3.97Å; H207-F718 HydrophobicContact CB-CE1 4.49Å; H207-F718 HydrophobicContact CB-CE2 3.61Å; H207-F718 HydrophobicContact CB-CZ 3.88Å
208D96.4Very high96.1Very high54 Ų5439.8 Ų39.829%0.28921%0.214SC..Iπ-helixtrans-63-45.8-179.6-65.2-18.3000111.9T204 H205 L212 Q213T204-D208 VanDerWaalsContact O-CG 3.22Å; T204-D208 PolarHBondContact O-N 2.92Å; H205-D208 PolarHBondContact O-N 3.26Å; D208-L212 WeakPolarHBondContact O-CB 3.45Å; D208-L212 PolarHBondContact O-N 3.48Å; D208-L212 WeakPolarHBondContact OD1-CD1 3.06Å; D208-Q213 WeakPolarHBondContact O-CG 3.28Å; D208-Q213 PolarHBondContact O-N 2.95Å
209C97.6Very high96.2Very high4 Ų439.7 Ų39.73%0.02721%0.214CC..Iπ-helixtrans-64.4-49.1176.2-69.30000111.5H205 G214 D215 A218H205-C209 PolarHBondContact CE1-SG 3.32Å; H205-C209 PolarHBondContact O-N 2.99Å; H205-C209 PolarHBondContact O-SG 2.66Å; C209-G214 PolarHBondContact O-N 2.86Å; C209-D215 PolarHBondContact O-N 3.23Å; C209-A218 HydrophobicContact CB-CB 4.32Å
210L96.7Very high96.4Very high0 Ų040 Ų400%022%0.215CC..Iπ-helixtrans-75.5-57.2-172.8-175.556000112.3L206 H207 G214 F216 C219 R714 L717 F718 L721L206-L210 WeakPolarHBondContact O-CB 3.38Å; L206-L210 PolarHBondContact O-N 3.17Å; H207-L210 PolarHBondContact O-N 3.48Å; L210-G214 WeakPolarHBondContact O-CA 3.44Å; L210-G214 PolarHBondContact O-N 3.01Å; L210-F216 HydrophobicContact CD1-CD1 3.95Å; L210-F216 HydrophobicContact CD1-CE1 3.86Å; L210-C219 WeakPolarHBondContact CA-SG 3.17Å; L210-C219 WeakPolarHBondContact CB-SG 3.44Å; L210-C219 PolarHBondContact N-SG 3.26Å; L210-R714 WeakPolarHBondContact O-CD 3.11Å; L210-L717 HydrophobicContact CD1-CD2 3.85Å; L210-L717 HydrophobicContact CD2-CB 4.26Å; L210-L717 HydrophobicContact CD2-CD2 3.94Å; L210-L717 HydrophobicContact CD2-CG 3.84Å; L210-L717 HydrophobicContact CG-CD2 4.46Å; L210-F718 HydrophobicContact CD2-CB 4.02Å; L210-L721 HydrophobicContact CD2-CD1 4.03Å
211V95.1Very high96.4Very high3 Ų342.3 Ų42.32%0.01823%0.226CC..Iπ-helixtrans-82.5-49.8-167.4-173.90000110.6H207 Y711 R714 T715 F718H207-V211 WeakPolarHBondContact O-CA 3.39Å; H207-V211 VanDerWaalsContact O-CB 3.28Å; H207-V211 WeakPolarHBondContact O-CB 3.36Å; H207-V211 PolarHBondContact O-N 3.37Å; V211-Y711 HydrophobicContact CG1-CD2 3.76Å; V211-Y711 HydrophobicContact CG1-CE1 4.34Å; V211-Y711 HydrophobicContact CG1-CE2 3.52Å; V211-Y711 HydrophobicContact CG1-CG 4.28Å; V211-R714 HydrophobicContact CB-CB 4.39Å; V211-R714 HydrophobicContact CG1-CB 4.32Å; V211-R714 HydrophobicContact CG2-CB 4.28Å; V211-T715 WeakPolarHBondContact CG1-OG1 3.37Å; V211-F718 HydrophobicContact CG2-CB 3.96Å; V211-F718 HydrophobicContact CG2-CG 4.45Å
212L93.8Very high96.5Very high91 Ų9138.8 Ų38.848%0.47620%0.202SC..Iπ-helixtrans-80.7-43.7-174.6-56.2-178.1000112.6H207 D208 Y711H207-L212 PolarHBondContact O-N 3.04Å; D208-L212 WeakPolarHBondContact O-CB 3.45Å; D208-L212 PolarHBondContact O-N 3.48Å; D208-L212 WeakPolarHBondContact OD1-CD1 3.06Å; L212-Y711 HydrophobicContact CD2-CE2 3.87Å
213Q95.3Very high96.6Very high127 Ų12737.5 Ų37.559%0.59320%0.196SC*.Iπ-helixtrans-96.7-27.2-173-62.9173.729.100113.3D208 D215D208-Q213 WeakPolarHBondContact O-CG 3.28Å; D208-Q213 PolarHBondContact O-N 2.95Å; Q213-D215 HydrophobicContact CB-CB 4.34Å
214G94.6Very high96.6Very high16 Ų1638.7 Ų38.717%0.16520%0.202CC..  trans67.525.9-171.100000113C209 L210 F216 R714C209-G214 PolarHBondContact O-N 2.86Å; L210-G214 WeakPolarHBondContact O-CA 3.44Å; L210-G214 PolarHBondContact O-N 3.01Å; G214-F216 WeakPolarHBondContact O-CD2 3.34Å; G214-F216 WeakPolarHBondContact O-CE2 3.15Å; G214-F216 PolarHBondContact O-N 3.02Å; G214-F216 VanDerWaalsContact O-N 3.17Å; G214-R714 VanDerWaalsContact CA-CZ 3.46Å
215D97.2Very high96.6Very high62 Ų6241.6 Ų41.633%0.33221%0.211SC..  trans-84.982.5176.7-168.2-17.7000109.8C209 Q213 D217 A218 C219C209-D215 PolarHBondContact O-N 3.23Å; Q213-D215 HydrophobicContact CB-CB 4.34Å; D215-D217 VanDerWaalsContact C-N 3.25Å; D215-D217 PolarHBondContact O-N 3.42Å; D215-D217 PolarHBondContact OD1-N 3.26Å; D215-A218 HydrophobicContact CB-CB 4.13Å; D215-A218 VanDerWaalsContact CG-CB 3.41Å; D215-A218 WeakPolarHBondContact OD1-CB 3.34Å; D215-A218 PolarHBondContact OD1-N 2.79Å; D215-A218 WeakPolarHBondContact OD2-CB 3.4Å; D215-C219 PolarHBondContact O-N 3.46Å; D215-C219 VanDerWaalsContact O-N 3.15Å; D215-C219 PolarHBondContact O-SG 2.77Å
216F96.6Very high96.6Very high8 Ų837.1 Ų37.14%0.03519%0.19CC..Hα-helixtrans-65.1-29.5179.8-62.5-81.2000112.8L210 G214 C219 E220 I646 R650L210-F216 HydrophobicContact CD1-CD1 3.95Å; L210-F216 HydrophobicContact CD1-CE1 3.86Å; G214-F216 WeakPolarHBondContact O-CD2 3.34Å; G214-F216 WeakPolarHBondContact O-CE2 3.15Å; G214-F216 PolarHBondContact O-N 3.02Å; G214-F216 VanDerWaalsContact O-N 3.17Å; F216-C219 WeakPolarHBondContact O-CB 3.09Å; F216-C219 PolarHBondContact O-N 2.85Å; F216-E220 PolarHBondContact O-N 2.93Å; F216-I646 HydrophobicContact CB-CG2 3.96Å; F216-I646 HydrophobicContact CD1-CG2 3.81Å; F216-I646 HydrophobicContact CG-CG2 4.38Å; F216-R650 HydrophobicContact CB-CG 4.47Å; F216-R650 HydrophobicContact CD1-CB 3.92Å; F216-R650 HydrophobicContact CD1-CG 4.43Å; F216-R650 HydrophobicContact CD2-CB 3.93Å; F216-R650 HydrophobicContact CD2-CG 3.54Å; F216-R650 HydrophobicContact CE1-CB 4.01Å; F216-R650 HydrophobicContact CE2-CB 4.02Å; F216-R650 HydrophobicContact CE2-CG 3.78Å; F216-R650 HydrophobicContact CG-CB 3.88Å; F216-R650 HydrophobicContact CG-CG 3.9Å; F216-R650 HydrophobicContact CZ-CB 4.05Å; F216-R650 HydrophobicContact CZ-CG 4.33Å
217D97.1Very high96.5Very high82 Ų8237.4 Ų37.444%0.43919%0.193SC..Hα-helixtrans-73.3-45.3-177.5-61.7-47.7000109.7D215 C219 E220 E221 R650D215-D217 VanDerWaalsContact C-N 3.25Å; D215-D217 PolarHBondContact O-N 3.42Å; D215-D217 PolarHBondContact OD1-N 3.26Å; D217-C219 VanDerWaalsContact C-N 3.26Å; D217-C219 PolarHBondContact O-N 2.69Å; D217-E220 PolarHBondContact O-N 3.34Å; D217-E221 PolarHBondContact O-N 3.08Å; D217-E221 VanDerWaalsContact O-N 3.16Å; D217-R650 IonicContact OD1-CZ 3.82Å; D217-R650 IonicContact OD1-NH1 3.32Å; D217-R650 PolarHBondContact OD1-NH1 3.25Å; D217-R650 IonicContact OD1-NH2 2.78Å; D217-R650 IonicContact OD2-CZ 2.76Å; D217-R650 IonicContact OD2-NH1 3.91Å; D217-R650 PolarHBondContact OD2-NH1 3.48Å; D217-R650 IonicContact OD2-NH2 3.87Å; D217-R650 PolarHBondContact OD2-NH2 3.47Å
218A97.3Very high96.4Very high21 Ų2145.3 Ų45.317%0.17422%0.222CC..Hα-helixtrans-61-34.5170.900000112.7C209 D215 E221 L222C209-A218 HydrophobicContact CB-CB 4.32Å; D215-A218 HydrophobicContact CB-CB 4.13Å; D215-A218 VanDerWaalsContact CG-CB 3.41Å; D215-A218 WeakPolarHBondContact OD1-CB 3.34Å; D215-A218 PolarHBondContact OD1-N 2.79Å; D215-A218 WeakPolarHBondContact OD2-CB 3.4Å; A218-E221 PolarHBondContact O-N 3.46Å; A218-L222 WeakPolarHBondContact O-CG 2.79Å; A218-L222 PolarHBondContact O-N 2.99Å
219C97.1Very high96.3Very high0 Ų047.4 Ų47.40%023%0.233CC..Hα-helixtrans-63.4-44.7174.5-69.70000112.5L206 L210 D215 F216 D217 E221 L222 I223 I646L206-C219 HydrophobicContact CD1-CB 4.03Å; L210-C219 WeakPolarHBondContact CA-SG 3.17Å; L210-C219 WeakPolarHBondContact CB-SG 3.44Å; L210-C219 PolarHBondContact N-SG 3.26Å; D215-C219 PolarHBondContact O-N 3.46Å; D215-C219 VanDerWaalsContact O-N 3.15Å; D215-C219 PolarHBondContact O-SG 2.77Å; F216-C219 WeakPolarHBondContact O-CB 3.09Å; F216-C219 PolarHBondContact O-N 2.85Å; D217-C219 VanDerWaalsContact C-N 3.26Å; D217-C219 PolarHBondContact O-N 2.69Å; C219-E221 VanDerWaalsContact C-N 3.29Å; C219-E221 PolarHBondContact O-N 2.9Å; C219-L222 PolarHBondContact O-N 3Å; C219-I223 WeakPolarHBondContact O-CG1 3.2Å; C219-I223 PolarHBondContact O-N 3.04Å; C219-I646 HydrophobicContact CB-CD1 4.23Å
220E97.7Very high96.2Very high14 Ų1447.9 Ų47.97%0.06524%0.239CC..Hα-helixtrans-60-41.4175.7-71.6-169.6-15900111.2F216 D217 L222 I223 D224 R643 I646 R647F216-E220 PolarHBondContact O-N 2.93Å; D217-E220 PolarHBondContact O-N 3.34Å; E220-L222 VanDerWaalsContact C-N 3.33Å; E220-L222 PolarHBondContact O-N 3.4Å; E220-I223 PolarHBondContact O-N 3.25Å; E220-D224 WeakPolarHBondContact O-CB 3.23Å; E220-D224 PolarHBondContact O-N 3.36Å; E220-R643 HydrophobicContact CB-CG 4.5Å; E220-R643 HydrophobicContact CG-CG 4.03Å; E220-R643 IonicContact OE2-NE 3.74Å; E220-I646 HydrophobicContact CG-CB 4.48Å; E220-I646 HydrophobicContact CG-CD1 4.06Å; E220-I646 HydrophobicContact CG-CG2 4.04Å; E220-R647 WeakPolarHBondContact OE1-CG 3.46Å; E220-R647 IonicContact OE1-CZ 3.56Å; E220-R647 IonicContact OE1-NE 3.48Å; E220-R647 PolarHBondContact OE1-NE 3.49Å; E220-R647 IonicContact OE1-NH2 3.9Å; E220-R647 IonicContact OE2-CZ 2.69Å; E220-R647 IonicContact OE2-NE 2.7Å; E220-R647 PolarHBondContact OE2-NE 2.89Å; E220-R647 IonicContact OE2-NH2 3.29Å; E220-R647 PolarHBondContact OE2-NH2 3.43Å
221E97.6Very high96.1Very high135 Ų13549.7 Ų49.763%0.63125%0.248SC*.Hα-helixtrans-62.6-37.4176.7-68.9-175.7176.200113D217 A218 C219 D224 K225D217-E221 PolarHBondContact O-N 3.08Å; D217-E221 VanDerWaalsContact O-N 3.16Å; A218-E221 PolarHBondContact O-N 3.46Å; C219-E221 VanDerWaalsContact C-N 3.29Å; C219-E221 PolarHBondContact O-N 2.9Å; E221-D224 WeakPolarHBondContact O-CB 3.26Å; E221-D224 PolarHBondContact O-N 2.8Å; E221-K225 WeakPolarHBondContact O-CB 3.41Å; E221-K225 PolarHBondContact O-N 2.64Å
222L97.4Very high96.1Very high22 Ų2249.6 Ų49.612%0.11525%0.248CC..Hα-helixtrans-68.4-41.3175.6-72.4173.6000112.1L206 A218 C219 E220 K225 A226L206-L222 HydrophobicContact CB-CD1 4.24Å; L206-L222 HydrophobicContact CD1-CB 4.35Å; L206-L222 HydrophobicContact CD1-CD1 4.27Å; A218-L222 WeakPolarHBondContact O-CG 2.79Å; A218-L222 PolarHBondContact O-N 2.99Å; C219-L222 PolarHBondContact O-N 3Å; E220-L222 VanDerWaalsContact C-N 3.33Å; E220-L222 PolarHBondContact O-N 3.4Å; L222-K225 PolarHBondContact O-N 2.77Å; L222-A226 WeakPolarHBondContact O-CB 3.16Å; L222-A226 PolarHBondContact O-N 2.84Å
223I97.5Very high96Very high1 Ų149 Ų491%0.00525%0.245CC..Hα-helixtrans-64.2-43.7174.2-65.3-60.4000110.6L206 C219 E220 K225 A226 V227 F232 L639 C642 I646 F725L206-I223 HydrophobicContact CD2-CD1 4.24Å; C219-I223 WeakPolarHBondContact O-CG1 3.2Å; C219-I223 PolarHBondContact O-N 3.04Å; E220-I223 PolarHBondContact O-N 3.25Å; I223-K225 VanDerWaalsContact C-N 3.28Å; I223-K225 PolarHBondContact O-N 2.78Å; I223-A226 WeakPolarHBondContact O-CB 3.36Å; I223-A226 PolarHBondContact O-N 3.49Å; I223-A226 VanDerWaalsContact O-N 3.15Å; I223-V227 HydrophobicContact CG2-CG2 4.47Å; I223-V227 WeakPolarHBondContact O-CG2 3.09Å; I223-V227 PolarHBondContact O-N 2.92Å; I223-F232 HydrophobicContact CG2-CZ 4.38Å; I223-L639 HydrophobicContact CG2-CD1 3.85Å; I223-C642 HydrophobicContact CG2-CB 3.64Å; I223-I646 HydrophobicContact CG1-CD1 3.97Å; I223-F725 HydrophobicContact CD1-CE2 4.16Å; I223-F725 HydrophobicContact CD1-CZ 4.12Å
224D96.8Very high95.8Very high24 Ų2446.6 Ų46.613%0.12823%0.234CC..Hα-helixtrans-54.4-46.4173.6-92.7-44.2000111.8E220 E221 V227 R228 L639 R643E220-D224 WeakPolarHBondContact O-CB 3.23Å; E220-D224 PolarHBondContact O-N 3.36Å; E221-D224 WeakPolarHBondContact O-CB 3.26Å; E221-D224 PolarHBondContact O-N 2.8Å; D224-V227 PolarHBondContact O-N 2.81Å; D224-R228 WeakPolarHBondContact O-CG 3.47Å; D224-R228 PolarHBondContact O-N 3.46Å; D224-R228 VanDerWaalsContact O-N 3.08Å; D224-L639 WeakPolarHBondContact OD1-CD1 3.41Å; D224-L639 WeakPolarHBondContact OD1-CD2 3.18Å; D224-R643 IonicContact OD1-CZ 3.32Å; D224-R643 IonicContact OD1-NH2 3.65Å; D224-R643 PolarHBondContact OD1-NH2 2.68Å; D224-R643 IonicContact OD2-CZ 2.78Å; D224-R643 IonicContact OD2-NE 3.39Å; D224-R643 IonicContact OD2-NH2 2.68Å; D224-R643 PolarHBondContact OD2-NH2 2.89Å
225K96.5Very high95.6Very high102 Ų10248.5 Ų48.544%0.44324%0.236SC..Hα-helixtrans-62.6-46.4175.9-175.9-179.1175.7-174.40111.4E221 L222 I223 V227 R228 D229E221-K225 WeakPolarHBondContact O-CB 3.41Å; E221-K225 PolarHBondContact O-N 2.64Å; L222-K225 PolarHBondContact O-N 2.77Å; I223-K225 VanDerWaalsContact C-N 3.28Å; I223-K225 PolarHBondContact O-N 2.78Å; K225-V227 VanDerWaalsContact C-N 3.32Å; K225-V227 PolarHBondContact O-N 3.17Å; K225-R228 PolarHBondContact O-N 2.85Å; K225-D229 WeakPolarHBondContact CG-OD2 3.25Å; K225-D229 WeakPolarHBondContact O-CB 3.49Å; K225-D229 VanDerWaalsContact O-CG 3.27Å; K225-D229 PolarHBondContact O-N 2.97Å
226A96Very high95.3Very high0 Ų046.7 Ų46.70%023%0.226CC..Hα-helixtrans-58.5-41.4178.900000113.3M202 L222 I223 D229 G230 L231 F232 F725M202-A226 HydrophobicContact CE-CB 4.25Å; M202-A226 HydrophobicContact SD-CB 4.33Å; L222-A226 WeakPolarHBondContact O-CB 3.16Å; L222-A226 PolarHBondContact O-N 2.84Å; I223-A226 WeakPolarHBondContact O-CB 3.36Å; I223-A226 PolarHBondContact O-N 3.49Å; I223-A226 VanDerWaalsContact O-N 3.15Å; A226-D229 PolarHBondContact O-N 2.98Å; A226-G230 PolarHBondContact O-N 3.49Å; A226-L231 HydrophobicContact CB-CB 4.39Å; A226-L231 HydrophobicContact CB-CD1 3.96Å; A226-L231 WeakPolarHBondContact O-CB 3.42Å; A226-L231 PolarHBondContact O-N 2.75Å; A226-F232 HydrophobicContact CB-CE1 4.39Å; A226-F725 HydrophobicContact CB-CE1 3.45Å; A226-F725 VanDerWaalsContact CB-CE1 3.45Å; A226-F725 HydrophobicContact CB-CZ 3.66Å
227V95Very high94.8Very high11 Ų1148.5 Ų48.57%0.06724%0.24CC..Hα-helixtrans-67.3-43.7177.1173.60000111I223 D224 K225 D229 G230 F232 K635 L639I223-V227 HydrophobicContact CG2-CG2 4.47Å; I223-V227 WeakPolarHBondContact O-CG2 3.09Å; I223-V227 PolarHBondContact O-N 2.92Å; D224-V227 PolarHBondContact O-N 2.81Å; K225-V227 VanDerWaalsContact C-N 3.32Å; K225-V227 PolarHBondContact O-N 3.17Å; V227-D229 VanDerWaalsContact C-N 3.34Å; V227-D229 PolarHBondContact O-N 2.9Å; V227-G230 PolarHBondContact O-N 2.84Å; V227-G230 VanDerWaalsContact O-N 3.13Å; V227-F232 HydrophobicContact CG2-CD2 3.75Å; V227-F232 HydrophobicContact CG2-CE2 3.81Å; V227-F232 HydrophobicContact CG2-CG 4.18Å; V227-F232 HydrophobicContact CG2-CZ 4.27Å; V227-K635 HydrophobicContact CG1-CB 3.88Å; V227-L639 HydrophobicContact CG1-CB 4.46Å; V227-L639 HydrophobicContact CG2-CB 4.21Å; V227-L639 HydrophobicContact CG2-CD1 4.3Å
228R94.9Very high94.2Very high174 Ų17449.1 Ų49.166%0.65724%0.24SC*.Hα-helixtrans-61-41.4175.2-75-172.1-61.9-100.3-0.4112.4D224 K225 G230D224-R228 WeakPolarHBondContact O-CG 3.47Å; D224-R228 PolarHBondContact O-N 3.46Å; D224-R228 VanDerWaalsContact O-N 3.08Å; K225-R228 PolarHBondContact O-N 2.85Å; R228-G230 PolarHBondContact O-N 3.03Å
229D95.2Very high93.8Very high99 Ų9950.6 Ų50.653%0.52924%0.243SC..THydrogen-bonded Turntrans-75.4-2179-66-9.7000112.4K225 A226 V227 L231K225-D229 WeakPolarHBondContact CG-OD2 3.25Å; K225-D229 WeakPolarHBondContact O-CB 3.49Å; K225-D229 VanDerWaalsContact O-CG 3.27Å; K225-D229 PolarHBondContact O-N 2.97Å; A226-D229 PolarHBondContact O-N 2.98Å; V227-D229 VanDerWaalsContact C-N 3.34Å; V227-D229 PolarHBondContact O-N 2.9Å; D229-L231 HydrophobicContact CB-CG 4.26Å
230G94.6Very high93.2Very high14 Ų1458.8 Ų58.814%0.14428%0.282CS..THydrogen-bonded Turntrans78.616.817400000114.6A226 V227 R228 F232 N233A226-G230 PolarHBondContact O-N 3.49Å; V227-G230 PolarHBondContact O-N 2.84Å; V227-G230 VanDerWaalsContact O-N 3.13Å; R228-G230 PolarHBondContact O-N 3.03Å; G230-F232 PolarHBondContact O-N 3.16Å; G230-N233 VanDerWaalsContact O-CB 3.28Å; G230-N233 WeakPolarHBondContact O-CB 3.19Å; G230-N233 PolarHBondContact O-N 3Å; G230-N233 VanDerWaalsContact O-N 3.09Å; G230-N233 PolarHBondContact O-ND2 3.36Å; G230-N233 VanDerWaalsContact O-ND2 3.17Å
231L95Very high92.7Very high38 Ų3859.7 Ų59.720%0.19929%0.285CS..THydrogen-bonded Turntrans-66.2-22.7-176.6-57.9-177.1000112.6M202 A226 D229 N233 F725 P726 M729M202-L231 HydrophobicContact CE-CD1 3.57Å; M202-L231 HydrophobicContact SD-CD1 3.59Å; M202-L231 VanDerWaalsContact SD-CD1 3.59Å; A226-L231 HydrophobicContact CB-CB 4.39Å; A226-L231 HydrophobicContact CB-CD1 3.96Å; A226-L231 WeakPolarHBondContact O-CB 3.42Å; A226-L231 PolarHBondContact O-N 2.75Å; D229-L231 HydrophobicContact CB-CG 4.26Å; L231-N233 VanDerWaalsContact C-N 3.34Å; L231-F725 HydrophobicContact CB-CD1 3.99Å; L231-F725 HydrophobicContact CB-CE1 4.11Å; L231-F725 HydrophobicContact CD1-CD1 4.2Å; L231-F725 HydrophobicContact CD1-CE1 3.94Å; L231-P726 VanDerWaalsContact O-CD 3.25Å; L231-P726 WeakPolarHBondContact O-CD 3.45Å; L231-P726 WeakPolarHBondContact O-CG 3.36Å; L231-M729 HydrophobicContact CD1-CE 3.9Å; L231-M729 HydrophobicContact CD1-SD 4.23Å; L231-M729 HydrophobicContact CD2-CE 4.45Å; L231-M729 HydrophobicContact CD2-SD 4.01Å
232F95.2Very high92.3Very high1 Ų161 Ų610%0.00429%0.289CS..THydrogen-bonded Turntrans-84.3-6.3177.4-74.718.8000113.4I223 A226 V227 G230 Q234 Y235 I236 L638 F724 F725I223-F232 HydrophobicContact CG2-CZ 4.38Å; A226-F232 HydrophobicContact CB-CE1 4.39Å; V227-F232 HydrophobicContact CG2-CD2 3.75Å; V227-F232 HydrophobicContact CG2-CE2 3.81Å; V227-F232 HydrophobicContact CG2-CG 4.18Å; V227-F232 HydrophobicContact CG2-CZ 4.27Å; G230-F232 PolarHBondContact O-N 3.16Å; F232-Q234 VanDerWaalsContact C-N 3.29Å; F232-Q234 PolarHBondContact O-N 3.43Å; F232-Y235 PolarHBondContact O-N 2.93Å; F232-Y235 VanDerWaalsContact O-N 3.15Å; F232-I236 HydrophobicContact CB-CD1 4.36Å; F232-I236 WeakPolarHBondContact O-CG1 3.41Å; F232-I236 PolarHBondContact O-N 3.18Å; F232-L638 HydrophobicContact CB-CD1 4.35Å; F232-L638 HydrophobicContact CD2-CB 3.83Å; F232-L638 HydrophobicContact CD2-CD1 3.89Å; F232-L638 HydrophobicContact CE2-CB 4.16Å; F232-F724 HydrophobicContact CD1-CB 4.06Å; F232-F724 VanDerWaalsContact CD1-O 3.31Å; F232-F724 WeakPolarHBondContact CD1-O 3.49Å; F232-F724 HydrophobicContact CD2-CB 4.12Å; F232-F724 HydrophobicContact CE1-CB 3.66Å; F232-F724 HydrophobicContact CE2-CB 3.72Å; F232-F724 HydrophobicContact CE2-CG 4.18Å; F232-F724 HydrophobicContact CG-CB 4.29Å; F232-F724 HydrophobicContact CZ-CB 3.47Å; F232-F724 VanDerWaalsContact CZ-CB 3.47Å; F232-F724 HydrophobicContact CZ-CG 4.22Å; F232-F725 HydrophobicContact CD1-CE1 4.42Å; F232-F725 HydrophobicContact CE1-CD1 4.22Å; F232-F725 HydrophobicContact CE1-CD2 4.03Å; F232-F725 AromaticContact CE1-CE1 3.85Å; F232-F725 HydrophobicContact CE1-CE1 3.85Å; F232-F725 AromaticContact CE1-CE2 3.7Å; F232-F725 HydrophobicContact CE1-CE2 3.7Å; F232-F725 HydrophobicContact CE1-CG 4.31Å; F232-F725 AromaticContact CE1-CZ 3.61Å; F232-F725 HydrophobicContact CE1-CZ 3.61Å; F232-F725 HydrophobicContact CZ-CE2 4.26Å; F232-F725 HydrophobicContact CZ-CZ 4.36Å
233N91.9Very high92Very high78 Ų7862.2 Ų62.242%0.41730%0.297SS..Hα-helixtrans-59.5-39.8-174.6-68.3-16.5000112.2G230 L231 I236 S237 K635G230-N233 VanDerWaalsContact O-CB 3.28Å; G230-N233 WeakPolarHBondContact O-CB 3.19Å; G230-N233 PolarHBondContact O-N 3Å; G230-N233 VanDerWaalsContact O-N 3.09Å; G230-N233 PolarHBondContact O-ND2 3.36Å; G230-N233 VanDerWaalsContact O-ND2 3.17Å; L231-N233 VanDerWaalsContact C-N 3.34Å; N233-I236 PolarHBondContact O-N 2.95Å; N233-S237 WeakPolarHBondContact O-CB 3.19Å; N233-S237 PolarHBondContact O-N 2.9Å; N233-K635 WeakPolarHBondContact OD1-CE 3.23Å; N233-K635 PolarHBondContact OD1-NZ 2.91Å
234Q89.8Confident91.7Very high76 Ų7668.5 Ų68.536%0.35532%0.321SS..Hα-helixtrans-62.8-48177179.5175.4-18.200110.9F232 I236 S237 Q238 P726F232-Q234 VanDerWaalsContact C-N 3.29Å; F232-Q234 PolarHBondContact O-N 3.43Å; Q234-I236 PolarHBondContact O-N 2.83Å; Q234-S237 PolarHBondContact O-N 3.35Å; Q234-S237 PolarHBondContact O-OG 3.23Å; Q234-Q238 WeakPolarHBondContact O-CG 3.46Å; Q234-Q238 PolarHBondContact O-N 3.47Å; Q234-P726 VanDerWaalsContact OE1-CB 3.31Å
235Y91.8Very high91.5Very high56 Ų5668.4 Ų68.422%0.2232%0.319CS..Hα-helixtrans-57.3-49176.7178-90.5000111.1F232 S237 Q238 Q239 L638 N723 F724F232-Y235 PolarHBondContact O-N 2.93Å; F232-Y235 VanDerWaalsContact O-N 3.15Å; Y235-S237 VanDerWaalsContact C-N 3.33Å; Y235-S237 PolarHBondContact O-N 2.99Å; Y235-Q238 PolarHBondContact O-N 3.15Å; Y235-Q238 VanDerWaalsContact O-N 3.09Å; Y235-Q239 HydrophobicContact CD1-CG 4.17Å; Y235-Q239 VanDerWaalsContact CE1-CD 3.48Å; Y235-Q239 HydrophobicContact CE1-CG 3.86Å; Y235-Q239 VanDerWaalsContact CZ-NE2 3.26Å; Y235-Q239 WeakPolarHBondContact O-CG 3.46Å; Y235-Q239 PolarHBondContact O-N 3.11Å; Y235-Q239 PolarHBondContact O-NE2 3.45Å; Y235-Q239 PolarHBondContact OH-OE1 2.92Å; Y235-L638 HydrophobicContact CD1-CD1 3.84Å; Y235-L638 HydrophobicContact CE1-CD1 4.2Å; Y235-L638 HydrophobicContact CE1-CD2 4.06Å; Y235-N723 VanDerWaalsContact CD2-O 3.27Å; Y235-N723 WeakPolarHBondContact CD2-O 3.34Å; Y235-F724 WeakPolarHBondContact CB-O 3.36Å; Y235-F724 AromaticContact CD1-CD1 3.97Å; Y235-F724 HydrophobicContact CD1-CD1 3.97Å; Y235-F724 HydrophobicContact CD2-CD1 4.29Å; Y235-F724 AromaticContact CE1-CD1 3.66Å; Y235-F724 HydrophobicContact CE1-CD1 3.66Å; Y235-F724 AromaticContact CE1-CE1 3.97Å; Y235-F724 HydrophobicContact CE1-CE1 3.97Å; Y235-F724 AromaticContact CE2-CD1 3.99Å; Y235-F724 HydrophobicContact CE2-CD1 3.99Å; Y235-F724 HydrophobicContact CE2-CE1 4.39Å; Y235-F724 HydrophobicContact CG-CD1 4.28Å; Y235-F724 AromaticContact CZ-CD1 3.67Å; Y235-F724 AromaticContact CZ-CE1 3.79Å
236I91.2Very high91.5Very high24 Ų2466.2 Ų66.212%0.12332%0.316CS..Hα-helixtrans-56-47.2177.9-67166.4000110.6F232 N233 Q234 Q238 Q239 R632 P633 K635 L638F232-I236 HydrophobicContact CB-CD1 4.36Å; F232-I236 WeakPolarHBondContact O-CG1 3.41Å; F232-I236 PolarHBondContact O-N 3.18Å; N233-I236 PolarHBondContact O-N 2.95Å; Q234-I236 PolarHBondContact O-N 2.83Å; I236-Q238 PolarHBondContact O-N 3.09Å; I236-Q238 VanDerWaalsContact O-N 3.17Å; I236-Q239 WeakPolarHBondContact O-CB 3.4Å; I236-Q239 PolarHBondContact O-N 3.49Å; I236-R632 HydrophobicContact CG2-CB 3.97Å; I236-R632 VanDerWaalsContact O-CD 3.24Å; I236-R632 WeakPolarHBondContact O-CD 3.24Å; I236-P633 WeakPolarHBondContact CG2-O 3.47Å; I236-K635 HydrophobicContact CD1-CG 3.81Å; I236-L638 HydrophobicContact CD1-CD1 3.87Å; I236-L638 HydrophobicContact CG1-CD1 3.38Å
237S85.1Confident91.4Very high46 Ų4670.9 Ų70.932%0.32234%0.338SS..Hα-helixtrans-63.5-20.3-179.175.50000114.2N233 Q234 Y235 R632N233-S237 WeakPolarHBondContact O-CB 3.19Å; N233-S237 PolarHBondContact O-N 2.9Å; Q234-S237 PolarHBondContact O-N 3.35Å; Q234-S237 PolarHBondContact O-OG 3.23Å; Y235-S237 VanDerWaalsContact C-N 3.33Å; Y235-S237 PolarHBondContact O-N 2.99Å; S237-R632 PolarHBondContact O-NE 2.8Å; S237-R632 PolarHBondContact O-NH1 2.96Å; S237-R632 PolarHBondContact O-NH2 3.09Å
238Q85.3Confident91.4Very high95 Ų9571.3 Ų71.344%0.44434%0.34SS..Hα-helixtrans-92.4-9.2178.4-67.6175.5-3.200112.8Q234 Y235 I236Q234-Q238 WeakPolarHBondContact O-CG 3.46Å; Q234-Q238 PolarHBondContact O-N 3.47Å; Y235-Q238 PolarHBondContact O-N 3.15Å; Y235-Q238 VanDerWaalsContact O-N 3.09Å; I236-Q238 PolarHBondContact O-N 3.09Å; I236-Q238 VanDerWaalsContact O-N 3.17Å
239Q87.3Confident91.3Very high52 Ų5268.5 Ų68.524%0.24334%0.337CS..SBendtrans-75151.6178.1-56.4-48.2-66.400111.6Y235 I236 R632 P633Y235-Q239 HydrophobicContact CD1-CG 4.17Å; Y235-Q239 VanDerWaalsContact CE1-CD 3.48Å; Y235-Q239 HydrophobicContact CE1-CG 3.86Å; Y235-Q239 VanDerWaalsContact CZ-NE2 3.26Å; Y235-Q239 WeakPolarHBondContact O-CG 3.46Å; Y235-Q239 PolarHBondContact O-N 3.11Å; Y235-Q239 PolarHBondContact O-NE2 3.45Å; Y235-Q239 PolarHBondContact OH-OE1 2.92Å; I236-Q239 WeakPolarHBondContact O-CB 3.4Å; I236-Q239 PolarHBondContact O-N 3.49Å; Q239-R632 HydrophobicContact CB-CG 4.49Å; Q239-R632 PolarHBondContact O-NE 3.4Å; Q239-R632 VanDerWaalsContact O-NE 3.12Å; Q239-P633 HydrophobicContact CB-CG 4.22Å; Q239-P633 HydrophobicContact CG-CG 4.13Å
240E85.4Confident91.1Very high173 Ų17365 Ų6581%0.80832%0.319SS*.PPolyproline II helixtrans-64.1143.5172.3-63.6-175.6164.900111.1
241Y88.2Confident90.8Very high33 Ų3369.8 Ų69.813%0.12934%0.336CS..PPolyproline II helixtrans-74.9142172.5-80.5-75.2000111E533 I557 L630 R632Y241-E533 PolarHBondContact OH-OE2 3.31Å; Y241-I557 HydrophobicContact CD2-CD1 3.21Å; Y241-I557 HydrophobicContact CE2-CD1 3.73Å; Y241-I557 HydrophobicContact CG-CD1 3.93Å; Y241-L630 VanDerWaalsContact CD1-C 3.48Å; Y241-L630 HydrophobicContact CD1-CB 3.48Å; Y241-L630 VanDerWaalsContact CD1-CB 3.48Å; Y241-L630 HydrophobicContact CE1-CB 3.84Å; Y241-L630 WeakPolarHBondContact CE1-O 3.37Å; Y241-L630 HydrophobicContact CG-CB 4.02Å; Y241-R632 HydrophobicContact CD1-CG 3.81Å; Y241-R632 HydrophobicContact CE1-CG 3.84Å; Y241-R632 HydrophobicContact CG-CG 4.29Å; Y241-R632 VanDerWaalsContact CZ-CZ 3.41Å; Y241-R632 PolarHBondContact OH-NH1 3.22Å; Y241-R632 VanDerWaalsContact OH-NH1 3.12Å
242K88.2Confident89.8Confident163 Ų16372.5 Ų72.571%0.70936%0.357SS*.EExtended strand (participates in β ladder)trans-107129.5165-66.8-172.4177.4-177.10109.6C631K242-C631 PolarHBondContact N-O 3.49Å; K242-C631 PolarHBondContact O-N 3.16Å
243P90.8Very high88.1Confident46 Ų4677.3 Ų77.330%0.29938%0.383SS..EExtended strand (participates in β ladder)trans-76.8135.7178.132.9-33.3000110V568 Y569 L628P243-V568 HydrophobicContact CB-CG1 4.28Å; P243-V568 HydrophobicContact CG-CG1 4.23Å; P243-Y569 HydrophobicContact CB-CD1 3.84Å; P243-Y569 HydrophobicContact CB-CE1 4.04Å; P243-Y569 HydrophobicContact CG-CD1 3.64Å; P243-Y569 HydrophobicContact CG-CE1 4.26Å; P243-Y569 HydrophobicContact CG-CG 4.02Å; P243-L628 HydrophobicContact CB-CD1 3.69Å
244R91.8Very high86.3Confident133 Ų13380.6 Ų80.650%0.50239%0.394SS..EExtended strand (participates in β ladder)trans-121.8101.2169.1-175.5176.361-174.2-6.6109.3K629R244-K629 PolarHBondContact N-O 2.67Å; R244-K629 VanDerWaalsContact NH2-CD 3.32Å; R244-K629 PolarHBondContact O-N 3.43Å
245W93.1Very high84Confident23 Ų2380.2 Ų80.29%0.08741%0.41CS..EExtended strand (participates in β ladder)trans-83.8146.5174-72103.7000111L537 Y569 E586 E587 P588 L607 W626 S627 L628W245-L537 HydrophobicContact CH2-CD2 4.47Å; W245-Y569 HydrophobicContact CZ2-CE1 4.43Å; W245-Y569 WeakPolarHBondContact CZ2-OH 3.47Å; W245-Y569 AromaticContact NE1-CE1 3.71Å; W245-Y569 AromaticContact NE1-CZ 3.47Å; W245-Y569 PolarHBondContact NE1-OH 3.25Å; W245-Y569 VanDerWaalsContact NE1-OH 3.09Å; W245-E586 WeakPolarHBondContact CB-O 3.27Å; W245-E587 HydrophobicContact CB-CB 4.32Å; W245-E587 HydrophobicContact CG-CB 4.02Å; W245-P588 HydrophobicContact CD2-CG 3.93Å; W245-P588 VanDerWaalsContact CE3-CD 3.48Å; W245-P588 HydrophobicContact CE3-CG 3.72Å; W245-P588 HydrophobicContact CH2-CG 3.9Å; W245-P588 HydrophobicContact CZ2-CG 4.08Å; W245-P588 HydrophobicContact CZ3-CG 3.7Å; W245-L607 HydrophobicContact CH2-CD1 4.27Å; W245-L607 HydrophobicContact CZ3-CB 4.35Å; W245-W626 HydrophobicContact CB-CE3 4.42Å; W245-W626 HydrophobicContact CE3-CB 4.06Å; W245-W626 HydrophobicContact CZ3-CB 4.09Å; W245-S627 CarbonylContact C-O 3.54Å; W245-S627 WeakPolarHBondContact CA-O 3.47Å; W245-L628 HydrophobicContact CD2-CB 3.92Å; W245-L628 HydrophobicContact CD2-CD1 3.99Å; W245-L628 HydrophobicContact CD2-CG 4.45Å; W245-L628 HydrophobicContact CE3-CB 3.64Å; W245-L628 HydrophobicContact CG-CD1 4.26Å; W245-L628 HydrophobicContact CH2-CB 3.7Å; W245-L628 HydrophobicContact CH2-CD2 3.88Å; W245-L628 HydrophobicContact CH2-CG 4.29Å; W245-L628 HydrophobicContact CZ2-CB 3.98Å; W245-L628 HydrophobicContact CZ2-CD1 4.14Å; W245-L628 HydrophobicContact CZ2-CD2 3.64Å; W245-L628 HydrophobicContact CZ2-CG 4.13Å; W245-L628 HydrophobicContact CZ3-CB 3.53Å
246S94.9Very high81.5Confident55 Ų5585.1 Ų85.139%0.38545%0.446SS..EExtended strand (participates in β ladder)trans-148.3122.9172-610000109.4I248 S627S246-I248 PolarHBondContact O-N 2.9Å; S246-S627 PolarHBondContact N-O 2.88Å; S246-S627 PolarHBondContact O-N 3.14Å; S246-S627 PolarHBondContact O-OG 2.81Å
247Q95.4Very high78.9Confident99 Ų9987 Ų8746%0.46347%0.472SS..EExtended strand (participates in β ladder)trans-68129.7174.1-164177.18.100109.2I249 W626Q247-I249 HydrophobicContact CG-CD1 4.06Å; Q247-W626 HydrophobicContact CB-CD2 4.07Å; Q247-W626 HydrophobicContact CB-CE3 3.81Å; Q247-W626 HydrophobicContact CB-CH2 3.75Å; Q247-W626 HydrophobicContact CB-CZ2 4.02Å; Q247-W626 HydrophobicContact CB-CZ3 3.65Å; Q247-W626 HydrophobicContact CG-CD2 4.17Å; Q247-W626 HydrophobicContact CG-CE3 4.41Å; Q247-W626 HydrophobicContact CG-CH2 4.15Å; Q247-W626 HydrophobicContact CG-CZ2 3.89Å; Q247-W626 HydrophobicContact CG-CZ3 4.4Å; Q247-W626 VanDerWaalsContact N-CE3 3.34Å
248I95.4Very high76.8Confident19 Ų1990.8 Ų90.810%0.09750%0.498CS..  trans-91.1122176.4-61.1172.5000107.7S246 P250 Y310 N315 Y606 F625S246-I248 PolarHBondContact O-N 2.9Å; I248-P250 HydrophobicContact CG2-CG 4.49Å; I248-P250 WeakPolarHBondContact O-CD 3.38Å; I248-Y310 HydrophobicContact CG2-CE2 4.22Å; I248-Y310 WeakPolarHBondContact CG2-OH 3.3Å; I248-N315 WeakPolarHBondContact CG2-OD1 3.13Å; I248-Y606 HydrophobicContact CD1-CD1 3.62Å; I248-Y606 HydrophobicContact CD1-CE1 3.74Å; I248-F625 HydrophobicContact CB-CB 4.31Å; I248-F625 HydrophobicContact CB-CD1 3.76Å; I248-F625 HydrophobicContact CB-CE1 4.44Å; I248-F625 HydrophobicContact CB-CG 4.23Å; I248-F625 HydrophobicContact CD1-CD1 3.76Å; I248-F625 HydrophobicContact CD1-CE1 3.67Å; I248-F625 HydrophobicContact CD1-CG 4.24Å; I248-F625 HydrophobicContact CD1-CZ 4.08Å; I248-F625 HydrophobicContact CG1-CD1 4.37Å; I248-F625 HydrophobicContact CG2-CD1 3.67Å; I248-F625 HydrophobicContact CG2-CE1 4.15Å; I248-F625 PolarHBondContact N-O 2.95Å
249I92.5Very high74.5Confident115 Ų11595.3 Ų95.359%0.5952%0.519SS*.  trans-109102.2171.3-52.7-59000107.7Q247 N315Q247-I249 HydrophobicContact CG-CD1 4.06Å; I249-N315 PolarHBondContact O-ND2 2.59Å
250P90.6Very high72.1Confident26 Ų26102.1 Ų102.117%0.16955%0.551CS.*PPolyproline II helixtrans-63.2146.6179.5-21.833.6000111.9I248 Y310 N315 W317I248-P250 HydrophobicContact CG2-CG 4.49Å; I248-P250 WeakPolarHBondContact O-CD 3.38Å; P250-Y310 HydrophobicContact CB-CE2 4.3Å; P250-Y310 HydrophobicContact CG-CE2 4.21Å; P250-N315 WeakPolarHBondContact CA-O 3.43Å; P250-W317 VanDerWaalsContact CG-CD1 3.45Å
251K88.1Confident69.8Low114 Ų114101.6 Ų101.650%0.49655%0.552SS.*PPolyproline II helixtrans-69.5136.9173.1-61.4173.4-172.2152.90109.8E314 N315 Q316K251-E314 PolarHBondContact NZ-O 3.29Å; K251-N315 PolarHBondContact N-O 3.3Å; K251-Q316 HydrophobicContact CB-CG 3.85Å
252C73.9Confident67.3Low95 Ų95104.9 Ų104.964%0.64258%0.58SS**PPolyproline II helixtrans-89.9138.9171.4-65.10000110.6K254C252-K254 PolarHBondContact O-N 3.06Å
253N58.6Low65.2Low103 Ų103108 Ų10855%0.55159%0.588SS**SBendtrans-72.617.6-180-80.1-15000115.8G255 Q316N253-G255 PolarHBondContact O-N 3.28Å; N253-Q316 PolarHBondContact OD1-NE2 3.11Å; N253-Q316 PolarHBondContact OD1-OE1 3.15Å
254K54.7Low62.6Low146 Ų146112.8 Ų112.864%0.63561%0.61SS**  trans-86.5107.9173.7-69.3-173.2-173.2168.30108.5C252 D271C252-K254 PolarHBondContact O-N 3.06Å; K254-D271 IonicContact NZ-OD1 3.08Å; K254-D271 PolarHBondContact NZ-OD1 3.28Å
255G42.4Very low59.9Low68 Ų68113.4 Ų113.470%0.70162%0.624SS**  trans-51.9148.9174.300000111.8N253 G257N253-G255 PolarHBondContact O-N 3.28Å; G255-G257 PolarHBondContact O-N 2.99Å
256T38.4Very low57.5Low159 Ų159118.5 Ų118.598%0.97566%0.657SS**SBendtrans-51.397.8169.2470000110.5
257G36.5Very low55Low64 Ų64123.4 Ų123.466%0.6668%0.679SS**  trans-15595.7175.200000108.2G255 Q259G255-G257 PolarHBondContact O-N 2.99Å; G257-Q259 PolarHBondContact O-N 3.48Å
258S41.3Very low52.3Low126 Ų126122.9 Ų122.988%0.88169%0.686SS**  trans-56.2101.9166.447.90000109.7
259Q36.3Very low49.8Very low189 Ų189130.8 Ų130.888%0.88373%0.729SS**  trans-137.6129157.1-101.7179.9-9.400109.4G257G257-Q259 PolarHBondContact O-N 3.48Å
260E37.6Very low47.4Very low195 Ų195128.9 Ų128.991%0.91173%0.73SS**  trans-56.9136.3-172.6-63.7172.8148.100111.9S262E260-S262 PolarHBondContact O-N 2.97Å
261I38.3Very low45.6Very low162 Ų162133.3 Ų133.383%0.83175%0.752SS**  trans-72.2106.6175.9-61.4167.1000108.2
262S35Very low44.3Very low103 Ų103130.9 Ų130.972%0.7275%0.745SS**  trans-70.7132.3160.4470000109.8E260 D264E260-S262 PolarHBondContact O-N 2.97Å; S262-D264 PolarHBondContact O-N 2.75Å
263R44.5Very low44.7Very low229 Ų229129.8 Ų129.886%0.86473%0.733SS**SBendtrans-81.911-165.5-99.1-177.8177.7-174.1-0.5116.9
264D36.2Very low46.2Very low145 Ų145129.3 Ų129.378%0.77572%0.723SS**  trans-123.133-161.9-64.6-34.4000116.2S262S262-D264 PolarHBondContact O-N 2.75Å
265D33.4Very low48.2Very low146 Ų146122.4 Ų122.478%0.78169%0.693SS**  trans-124.677.1168.6-84.9-37.4000112.1N267D265-N267 VanDerWaalsContact C-N 3.29Å; D265-N267 PolarHBondContact O-N 3.49Å; D265-N267 VanDerWaalsContact O-N 3.15Å
266V43.8Very low50.7Low130 Ų130120.1 Ų120.179%0.78867%0.669SS**  trans-80.281.4162.7-176.30000107.3
267N41.3Very low53.4Low159 Ų159117 Ų11785%0.8565%0.645SS**  trans154.874.4156.6-79.8-23.4000110.9D265D265-N267 VanDerWaalsContact C-N 3.29Å; D265-N267 PolarHBondContact O-N 3.49Å; D265-N267 VanDerWaalsContact O-N 3.15Å
268S39.9Very low56.3Low87 Ų87114 Ų11461%0.60861%0.614SS**  trans-135.1117.9156.970.40000110.2A270S268-A270 PolarHBondContact O-N 3.48Å
269D42.1Very low58.9Low186 Ų186108.1 Ų108.1100%0.99557%0.573SS**  trans-67.237.4170.8-72.6-46000112.1
270A43.1Very low61.7Low74 Ų7499.4 Ų99.461%0.61253%0.534SS*.  trans-115.525.7-167.200000113.6S268S268-A270 PolarHBondContact O-N 3.48Å
271D52Low64.6Low119 Ų11990.1 Ų90.164%0.63649%0.491SS*.  trans-138.870.6-177.4-143.135.6000112.1K254K254-D271 IonicContact NZ-OD1 3.08Å; K254-D271 PolarHBondContact NZ-OD1 3.28Å
272D60.6Low67.4Low63 Ų6382.6 Ų82.634%0.33745%0.452SS..  trans-161.196.7159.1-131.1-4.3000111.8R274 R322D272-R274 PolarHBondContact O-N 3.12Å; D272-R274 WeakPolarHBondContact OD1-CG 3.39Å; D272-R274 IonicContact OD1-NE 2.71Å; D272-R274 PolarHBondContact OD1-NE 3.39Å; D272-R322 PolarHBondContact O-NH2 3.24Å
273N81.9Confident70.4Confident73 Ų7377.9 Ų77.939%0.3942%0.418SS..SBendtrans-83.628.1170.4-77.1-34.3000111.5W317N273-W317 WeakPolarHBondContact O-CB 3.16Å
274R91.1Very high73Confident93 Ų9367.4 Ų67.435%0.35138%0.38SS..SBendtrans-154.2160.3-179.260.7-178-172.21149.6110.6D272 W308 W317 D623D272-R274 PolarHBondContact O-N 3.12Å; D272-R274 WeakPolarHBondContact OD1-CG 3.39Å; D272-R274 IonicContact OD1-NE 2.71Å; D272-R274 PolarHBondContact OD1-NE 3.39Å; R274-W308 WeakPolarHBondContact O-CH2 3.39Å; R274-W317 HydrophobicContact CB-CB 4.47Å; R274-W317 HydrophobicContact CB-CG 4.23Å; R274-D623 IonicContact CZ-OD2 2.76Å; R274-D623 IonicContact NH1-OD2 3.64Å; R274-D623 PolarHBondContact NH1-OD2 3.17Å; R274-D623 IonicContact NH2-OD2 2.78Å; R274-D623 PolarHBondContact NH2-OD2 3.32Å
275P95.8Very high76Confident0 Ų061.3 Ų61.30%035%0.347CS..  trans-65.6133.4174-1223.4000111.2L294 W308 W317 F608P275-L294 HydrophobicContact CB-CD1 4.46Å; P275-L294 HydrophobicContact CB-CD2 4.21Å; P275-L294 HydrophobicContact CG-CD1 4.39Å; P275-L294 HydrophobicContact CG-CD2 4.47Å; P275-W308 HydrophobicContact CB-CD2 4.29Å; P275-W308 HydrophobicContact CB-CG 4.18Å; P275-W308 HydrophobicContact CG-CB 3.96Å; P275-W308 HydrophobicContact CG-CD2 3.81Å; P275-W308 HydrophobicContact CG-CE3 4.26Å; P275-W308 HydrophobicContact CG-CG 3.66Å; P275-W317 VanDerWaalsContact CD-CD2 3.41Å; P275-W317 HydrophobicContact CG-CD2 3.79Å; P275-W317 HydrophobicContact CG-CE3 3.67Å; P275-W317 HydrophobicContact CG-CG 4.47Å; P275-W317 HydrophobicContact CG-CH2 4.09Å; P275-W317 HydrophobicContact CG-CZ2 4.18Å; P275-W317 HydrophobicContact CG-CZ3 3.83Å; P275-F608 HydrophobicContact CB-CE1 4.29Å; P275-F608 HydrophobicContact CB-CZ 3.92Å; P275-F608 HydrophobicContact CG-CZ 4.36Å
276G94.8Very high79Confident20 Ų2054.3 Ų54.321%0.20631%0.31CS..  trans-72.8-177.617300000114.3R278G276-R278 PolarHBondContact O-NE 2.62Å; G276-R278 PolarHBondContact O-NH2 3.37Å
277M96.1Very high81.4Confident93 Ų9348.9 Ų48.946%0.45828%0.277SS..SBendtrans-61.4135.1-176.568.1177.370.900113.2D299 R621 L622 D623M277-D299 VanDerWaalsContact O-CA 3.32Å; M277-D299 WeakPolarHBondContact O-CA 3.45Å; M277-D299 WeakPolarHBondContact O-CB 3.47Å; M277-R621 HydrophobicContact CB-CB 3.82Å; M277-R621 HydrophobicContact CG-CB 4.02Å; M277-R621 HydrophobicContact SD-CB 4.33Å; M277-L622 WeakPolarHBondContact CA-O 3.21Å; M277-D623 HydrophobicContact CB-CB 4.19Å
278R97.8Very high84Confident2 Ų247 Ų471%0.00826%0.263CS..  trans-163.1156.7-176.357.6-16974.4-144.12113.9G276 H281 G296 W298 L304 D306 F608 G610 L622G276-R278 PolarHBondContact O-NE 2.62Å; G276-R278 PolarHBondContact O-NH2 3.37Å; R278-H281 HydrophobicContact CG-CB 4.17Å; R278-G296 PolarHBondContact NH1-O 3.36Å; R278-W298 CarbonylContact C-O 3.56Å; R278-W298 WeakPolarHBondContact CA-O 3.43Å; R278-L304 HydrophobicContact CB-CD1 4.08Å; R278-L304 VanDerWaalsContact CZ-CD1 3.48Å; R278-D306 IonicContact CZ-OD1 2.72Å; R278-D306 IonicContact CZ-OD2 2.73Å; R278-D306 IonicContact NH1-OD1 2.85Å; R278-D306 PolarHBondContact NH1-OD1 3.02Å; R278-D306 IonicContact NH1-OD2 2.75Å; R278-D306 PolarHBondContact NH1-OD2 3.28Å; R278-D306 IonicContact NH2-OD1 3.45Å; R278-D306 IonicContact NH2-OD2 3.2Å; R278-D306 PolarHBondContact NH2-OD2 3.24Å; R278-F608 HydrophobicContact CG-CD1 4.34Å; R278-F608 HydrophobicContact CG-CE1 3.79Å; R278-G610 PolarHBondContact O-N 3.4Å; R278-L622 PolarHBondContact N-O 2.94Å; R278-L622 VanDerWaalsContact N-O 3.09Å
279G95.6Very high86.6Confident3 Ų345 Ų453%0.03125%0.247CC..BIsolated β-bridgetrans-139.9156.4168.300000110.9H281 G297 W298 A593G279-H281 PolarHBondContact O-N 3.49Å; G279-G297 WeakPolarHBondContact O-CA 3.4Å; G279-W298 PolarHBondContact N-O 3.26Å; G279-W298 PolarHBondContact O-N 2.82Å; G279-A593 CarbonylContact C-O 3.56Å; G279-A593 VanDerWaalsContact CA-O 3.3Å; G279-A593 WeakPolarHBondContact CA-O 3.43Å
280G94.4Very high89.2Confident6 Ų637.9 Ų37.96%0.06221%0.208CC..SBendtrans69.210.2-175.900000114.1C335 A593G280-C335 PolarHBondContact O-N 2.91Å; G280-A593 PolarHBondContact N-O 3.14Å
281H98Very high91.9Very high0 Ų035.2 Ų35.20%018%0.184CC..  trans-70.5162.8167.663.9-81.6000109.9R278 G279 G296 F608R278-H281 HydrophobicContact CG-CB 4.17Å; G279-H281 PolarHBondContact O-N 3.49Å; H281-G296 VanDerWaalsContact CB-O 3.24Å; H281-G296 WeakPolarHBondContact CB-O 3.46Å; H281-F608 AromaticContact CE1-CD1 3.93Å; H281-F608 PolarHBondContact CE1-O 3.35Å; H281-F608 VanDerWaalsContact CE1-O 3.25Å; H281-F608 AromaticContact NE2-CD1 3.61Å; H281-F608 PolarHBondContact NE2-O 3.38Å
282Q98.2Very high94.1Very high4 Ų429.5 Ų29.52%0.01915%0.154CC..EExtended strand (participates in β ladder)trans-116.3152.4174.5-64.2-56.6-69.100111L294 F295 H336 M338Q282-L294 WeakPolarHBondContact O-CA 3.29Å; Q282-F295 PolarHBondContact N-O 2.69Å; Q282-F295 VanDerWaalsContact N-O 3.16Å; Q282-F295 PolarHBondContact O-N 3.42Å; Q282-H336 VanDerWaalsContact CG-CD2 3.48Å; Q282-H336 WeakPolarHBondContact CG-CD2 3.4Å; Q282-H336 WeakPolarHBondContact CG-NE2 3.34Å; Q282-H336 WeakPolarHBondContact CG-O 3.3Å; Q282-H336 PolarHBondContact NE2-O 3.01Å; Q282-M338 HydrophobicContact CB-CB 4Å; Q282-M338 HydrophobicContact CB-CG 3.74Å; Q282-M338 HydrophobicContact CB-SD 3.51Å; Q282-M338 VanDerWaalsContact CB-SD 3.51Å; Q282-M338 HydrophobicContact CG-CG 4.38Å
283M98.5Very high95.9Very high3 Ų327.2 Ų27.22%0.01514%0.14CC..EExtended strand (participates in β ladder)trans-137.1144.6175.3-63.2162.566.200109.1V292 Y293 L294 Q595 V597 F608 F625M283-V292 HydrophobicContact CB-CG1 4.45Å; M283-V292 HydrophobicContact CE-CG1 3.29Å; M283-Y293 WeakPolarHBondContact CA-O 3.49Å; M283-Y293 WeakPolarHBondContact CB-O 3.5Å; M283-L294 HydrophobicContact CG-CB 4.11Å; M283-L294 HydrophobicContact CG-CD1 4.09Å; M283-L294 HydrophobicContact CG-CG 4.13Å; M283-L294 HydrophobicContact SD-CD1 4.41Å; M283-Q595 HydrophobicContact CB-CB 4.36Å; M283-Q595 HydrophobicContact CB-CG 3.59Å; M283-Q595 HydrophobicContact CG-CB 4.09Å; M283-Q595 HydrophobicContact CG-CG 3.86Å; M283-Q595 PolarHBondContact O-NE2 3.12Å; M283-Q595 HydrophobicContact SD-CB 3.74Å; M283-Q595 HydrophobicContact SD-CG 3.95Å; M283-V597 HydrophobicContact CB-CG1 3.62Å; M283-V597 HydrophobicContact CE-CG2 4.05Å; M283-V597 VanDerWaalsContact O-CG1 3.24Å; M283-V597 WeakPolarHBondContact O-CG1 3.36Å; M283-F608 HydrophobicContact CE-CB 4.05Å; M283-F608 HydrophobicContact SD-CB 3.53Å; M283-F608 VanDerWaalsContact SD-CB 3.53Å; M283-F625 HydrophobicContact CE-CE2 4Å
284V98.6Very high96.7Very high10 Ų1023.7 Ų23.76%0.06112%0.122CC..EExtended strand (participates in β ladder)trans-135.8158.7169.5-64.60000108.3Y293 M338 I340 I347V284-Y293 HydrophobicContact CG2-CD2 4.43Å; V284-Y293 PolarHBondContact N-O 2.9Å; V284-Y293 VanDerWaalsContact N-O 3.11Å; V284-Y293 PolarHBondContact O-N 3.42Å; V284-M338 HydrophobicContact CG1-CB 3.73Å; V284-M338 HydrophobicContact CG2-CE 4.06Å; V284-I340 HydrophobicContact CB-CB 4.07Å; V284-I340 HydrophobicContact CB-CG2 4.01Å; V284-I340 HydrophobicContact CG1-CB 4.49Å; V284-I340 HydrophobicContact CG2-CB 4.16Å; V284-I347 HydrophobicContact CG2-CD1 3.83Å; V284-I347 HydrophobicContact CG2-CG1 4.02Å; V284-I347 HydrophobicContact CG2-CG2 4.12Å
285I98Very high97.1Very high16 Ų1619.3 Ų19.38%0.08211%0.105CC..EExtended strand (participates in β ladder)trans-124.5128.1178.9-174.3169.6000110.1V287 T291 V292 V597 Y598 D599 Y606I285-V287 HydrophobicContact CG1-CG1 4.36Å; I285-V287 HydrophobicContact CG2-CG1 3.96Å; I285-V287 PolarHBondContact O-N 3.18Å; I285-T291 WeakPolarHBondContact CA-O 3.27Å; I285-V292 HydrophobicContact CB-CG2 4.32Å; I285-V292 HydrophobicContact CD1-CG2 3.88Å; I285-V292 HydrophobicContact CG1-CG2 4.01Å; I285-V597 HydrophobicContact CB-CB 4.35Å; I285-V597 HydrophobicContact CB-CG2 4.18Å; I285-V597 HydrophobicContact CG2-CB 4.09Å; I285-V597 HydrophobicContact CG2-CG2 4.37Å; I285-Y598 WeakPolarHBondContact CG2-O 3.31Å; I285-D599 HydrophobicContact CD1-CB 3.84Å; I285-Y606 HydrophobicContact CD1-CD2 4.05Å; I285-Y606 HydrophobicContact CD1-CE2 3.99Å
286D97.3Very high97.2Very high0 Ų019.3 Ų19.30%011%0.105CC..EExtended strand (participates in β ladder)trans-82.697.9161.1-175.3-7.5000106.8Q288 T289 E290 T291 Y293 I340 R345D286-Q288 PolarHBondContact O-N 2.74Å; D286-Q288 PolarHBondContact OD1-N 3.11Å; D286-T289 PolarHBondContact O-N 3.38Å; D286-T289 PolarHBondContact OD2-OG1 2.63Å; D286-E290 WeakPolarHBondContact O-CA 3.24Å; D286-E290 PolarHBondContact O-N 2.71Å; D286-T291 PolarHBondContact N-O 2.89Å; D286-T291 PolarHBondContact O-N 3.35Å; D286-Y293 HydrophobicContact CB-CE2 4.1Å; D286-I340 HydrophobicContact CB-CD1 3.95Å; D286-R345 IonicContact OD2-CZ 2.94Å; D286-R345 IonicContact OD2-NE 2.69Å; D286-R345 PolarHBondContact OD2-NE 2.95Å; D286-R345 IonicContact OD2-NH2 3.63Å; D286-R345 PolarHBondContact OD2-NH2 3Å; D286-R345 VanDerWaalsContact OD2-NH2 3.12Å
287V95.1Very high97.3Very high16 Ų1618.3 Ų18.310%0.09710%0.095CC..THydrogen-bonded Turntrans-63.7-30-176.7-620000111.6I285 T289 E290 M601I285-V287 HydrophobicContact CG1-CG1 4.36Å; I285-V287 HydrophobicContact CG2-CG1 3.96Å; I285-V287 PolarHBondContact O-N 3.18Å; V287-T289 VanDerWaalsContact C-N 3.33Å; V287-T289 PolarHBondContact O-N 2.99Å; V287-E290 PolarHBondContact O-N 3.25Å; V287-M601 VanDerWaalsContact C-CE 3.41Å; V287-M601 HydrophobicContact CB-CE 4.11Å; V287-M601 HydrophobicContact CB-CG 4.48Å; V287-M601 HydrophobicContact CG2-CE 4.17Å; V287-M601 HydrophobicContact CG2-CG 4.36Å; V287-M601 WeakPolarHBondContact O-CE 3.23Å
288Q94.6Very high97.4Very high119 Ų11916.7 Ų16.756%0.5568%0.084SC*.THydrogen-bonded Turntrans-66.9-35.7-177.6-64.1-177.62.900112.3D286D286-Q288 PolarHBondContact O-N 2.74Å; D286-Q288 PolarHBondContact OD1-N 3.11Å
289T95.6Very high97.3Very high46 Ų4618.4 Ų18.428%0.2829%0.093SC..THydrogen-bonded Turntrans-106.58.7178.6680000112.7D286 V287 T291D286-T289 PolarHBondContact O-N 3.38Å; D286-T289 PolarHBondContact OD2-OG1 2.63Å; V287-T289 VanDerWaalsContact C-N 3.33Å; V287-T289 PolarHBondContact O-N 2.99Å; T289-T291 PolarHBondContact O-N 2.99Å; T289-T291 VanDerWaalsContact O-N 3.14Å; T289-T291 PolarHBondContact O-OG1 3.01Å; T289-T291 WeakPolarHBondContact OG1-CB 3.44Å; T289-T291 PolarHBondContact OG1-OG1 3.15Å
290E97Very high97.2Very high35 Ų3518.5 Ų18.516%0.1649%0.094CC..THydrogen-bonded Turntrans44.346.7-174.5-56.3170-107.100111.9D286 V287 V312 Q313 H602D286-E290 WeakPolarHBondContact O-CA 3.24Å; D286-E290 PolarHBondContact O-N 2.71Å; V287-E290 PolarHBondContact O-N 3.25Å; E290-V312 HydrophobicContact CB-CB 3.79Å; E290-V312 HydrophobicContact CB-CG1 4.49Å; E290-V312 HydrophobicContact CB-CG2 4.08Å; E290-V312 WeakPolarHBondContact O-CB 3.46Å; E290-V312 WeakPolarHBondContact O-CG2 3.38Å; E290-V312 PolarHBondContact O-N 2.89Å; E290-Q313 PolarHBondContact OE1-NE2 3.41Å; E290-H602 VanDerWaalsContact CD-CE1 3.48Å; E290-H602 VanDerWaalsContact CG-CE1 3.49Å; E290-H602 WeakPolarHBondContact CG-CE1 3.43Å; E290-H602 IonicContact OE1-CE1 2.8Å; E290-H602 IonicContact OE2-CE1 3.62Å
291T98.3Very high97.2Very high18 Ų1823.7 Ų23.711%0.1113%0.125CC..EExtended strand (participates in β ladder)trans-114.8119.1-174.3-55.70000110.9I285 D286 T289 Y293 A309 Y310I285-T291 WeakPolarHBondContact CA-O 3.27Å; D286-T291 PolarHBondContact N-O 2.89Å; D286-T291 PolarHBondContact O-N 3.35Å; T289-T291 PolarHBondContact O-N 2.99Å; T289-T291 VanDerWaalsContact O-N 3.14Å; T289-T291 PolarHBondContact O-OG1 3.01Å; T289-T291 WeakPolarHBondContact OG1-CB 3.44Å; T289-T291 PolarHBondContact OG1-OG1 3.15Å; T291-Y293 HydrophobicContact CG2-CD2 4.35Å; T291-Y293 HydrophobicContact CG2-CE1 4.31Å; T291-Y293 HydrophobicContact CG2-CE2 3.72Å; T291-A309 HydrophobicContact CG2-CB 3.91Å; T291-Y310 CarbonylContact C-O 3.48Å; T291-Y310 VanDerWaalsContact CA-O 3.32Å; T291-Y310 WeakPolarHBondContact CA-O 3.32Å
292V98.6Very high97Very high0 Ų029.3 Ų29.30%015%0.151CC..EExtended strand (participates in β ladder)trans-94.2120.9177.7176.70000109.5M283 I285 A309 Y310 V597 Y606M283-V292 HydrophobicContact CB-CG1 4.45Å; M283-V292 HydrophobicContact CE-CG1 3.29Å; I285-V292 HydrophobicContact CB-CG2 4.32Å; I285-V292 HydrophobicContact CD1-CG2 3.88Å; I285-V292 HydrophobicContact CG1-CG2 4.01Å; V292-A309 CarbonylContact O-C 3.17Å; V292-A309 VanDerWaalsContact O-CA 3.32Å; V292-A309 WeakPolarHBondContact O-CA 3.42Å; V292-Y310 PolarHBondContact N-O 3.33Å; V292-Y310 PolarHBondContact O-N 3.35Å; V292-V597 HydrophobicContact CG1-CG2 4.26Å; V292-V597 HydrophobicContact CG2-CG2 4.29Å; V292-Y606 HydrophobicContact CG2-CD2 4.23Å; V292-Y606 HydrophobicContact CG2-CG 4.27Å
293Y98.8Very high96.9Very high14 Ų1431.5 Ų31.56%0.05516%0.163CC..EExtended strand (participates in β ladder)trans-96.3140.3174.1-64.9-88.3000110.2M283 V284 D286 T291 F307 W308 A309 I320 I347 I373M283-Y293 WeakPolarHBondContact CA-O 3.49Å; M283-Y293 WeakPolarHBondContact CB-O 3.5Å; V284-Y293 HydrophobicContact CG2-CD2 4.43Å; V284-Y293 PolarHBondContact N-O 2.9Å; V284-Y293 VanDerWaalsContact N-O 3.11Å; V284-Y293 PolarHBondContact O-N 3.42Å; D286-Y293 HydrophobicContact CB-CE2 4.1Å; T291-Y293 HydrophobicContact CG2-CD2 4.35Å; T291-Y293 HydrophobicContact CG2-CE1 4.31Å; T291-Y293 HydrophobicContact CG2-CE2 3.72Å; Y293-F307 HydrophobicContact CD1-CE1 4.24Å; Y293-F307 HydrophobicContact CD1-CE2 4.21Å; Y293-F307 AromaticContact CD1-CZ 3.58Å; Y293-F307 HydrophobicContact CD1-CZ 3.58Å; Y293-F307 HydrophobicContact CE1-CZ 4.46Å; Y293-F307 HydrophobicContact CG-CZ 4.2Å; Y293-W308 CarbonylContact C-O 3.51Å; Y293-W308 VanDerWaalsContact CA-O 3.31Å; Y293-W308 WeakPolarHBondContact CA-O 3.25Å; Y293-A309 HydrophobicContact CD1-CB 3.94Å; Y293-A309 HydrophobicContact CE1-CB 3.82Å; Y293-I320 HydrophobicContact CD1-CD1 3.86Å; Y293-I320 HydrophobicContact CE1-CD1 3.73Å; Y293-I347 HydrophobicContact CD1-CD1 3.97Å; Y293-I347 HydrophobicContact CD2-CD1 3.74Å; Y293-I347 HydrophobicContact CE1-CD1 4.49Å; Y293-I347 HydrophobicContact CE2-CD1 4.29Å; Y293-I347 HydrophobicContact CG-CD1 3.56Å; Y293-I373 HydrophobicContact CD2-CD1 4.5Å; Y293-I373 HydrophobicContact CE2-CD1 3.78Å; Y293-I373 HydrophobicContact CE2-CG1 4.41Å; Y293-I373 WeakPolarHBondContact OH-CG2 3.43Å
294L98.8Very high96.9Very high0 Ų032.5 Ų32.50%017%0.168CC..EExtended strand (participates in β ladder)trans-132.2131.3179.2-179.6154000110P275 Q282 M283 F307 W308 W317 F608P275-L294 HydrophobicContact CB-CD1 4.46Å; P275-L294 HydrophobicContact CB-CD2 4.21Å; P275-L294 HydrophobicContact CG-CD1 4.39Å; P275-L294 HydrophobicContact CG-CD2 4.47Å; Q282-L294 WeakPolarHBondContact O-CA 3.29Å; M283-L294 HydrophobicContact CG-CB 4.11Å; M283-L294 HydrophobicContact CG-CD1 4.09Å; M283-L294 HydrophobicContact CG-CG 4.13Å; M283-L294 HydrophobicContact SD-CD1 4.41Å; L294-F307 WeakPolarHBondContact O-CA 3.24Å; L294-F307 VanDerWaalsContact O-CD2 3.22Å; L294-F307 WeakPolarHBondContact O-CD2 3.44Å; L294-W308 HydrophobicContact CB-CB 4.42Å; L294-W308 PolarHBondContact N-O 3.43Å; L294-W308 PolarHBondContact O-N 3.04Å; L294-W317 HydrophobicContact CB-CH2 4.27Å; L294-W317 HydrophobicContact CB-CZ3 4.09Å; L294-W317 HydrophobicContact CD1-CH2 4.24Å; L294-F608 HydrophobicContact CD1-CB 4.49Å; L294-F608 HydrophobicContact CD1-CD1 3.4Å; L294-F608 HydrophobicContact CD1-CE1 3.67Å; L294-F608 HydrophobicContact CD1-CG 3.94Å; L294-F608 HydrophobicContact CD1-CZ 4.41Å
295F98.8Very high96.8Very high0 Ų032.7 Ų32.70%017%0.171CC..EExtended strand (participates in β ladder)trans-132.2135.9178.6-176.2-127000113.3Q282 D306 F307 T324 P330 R333 H336 M338 T349Q282-F295 PolarHBondContact N-O 2.69Å; Q282-F295 VanDerWaalsContact N-O 3.16Å; Q282-F295 PolarHBondContact O-N 3.42Å; F295-D306 WeakPolarHBondContact CD2-O 3.41Å; F295-F307 HydrophobicContact CB-CD2 3.77Å; F295-F307 HydrophobicContact CB-CE2 4.22Å; F295-F307 HydrophobicContact CD2-CB 4.02Å; F295-F307 HydrophobicContact CD2-CD2 4.04Å; F295-F307 HydrophobicContact CD2-CG 4.38Å; F295-F307 HydrophobicContact CG-CD2 4.24Å; F295-T324 HydrophobicContact CD2-CG2 4.36Å; F295-T324 HydrophobicContact CE2-CG2 3.82Å; F295-T324 VanDerWaalsContact CE2-OG1 3.23Å; F295-T324 WeakPolarHBondContact CE2-OG1 3.46Å; F295-P330 HydrophobicContact CE1-CB 3.93Å; F295-P330 HydrophobicContact CE1-CG 3.89Å; F295-P330 HydrophobicContact CZ-CB 3.86Å; F295-P330 HydrophobicContact CZ-CG 3.93Å; F295-R333 HydrophobicContact CE1-CG 3.85Å; F295-R333 HydrophobicContact CZ-CG 4.34Å; F295-H336 AromaticContact CD1-CE1 3.9Å; F295-H336 AromaticContact CD1-NE2 3.4Å; F295-H336 WeakPolarHBondContact CD1-NE2 3.28Å; F295-H336 PolarHBondContact O-CE1 2.79Å; F295-M338 HydrophobicContact CB-CE 4.02Å; F295-M338 HydrophobicContact CB-SD 3.46Å; F295-M338 WeakPolarHBondContact CB-SD 3.27Å; F295-M338 HydrophobicContact CD1-SD 4.34Å; F295-M338 HydrophobicContact CG-SD 4.38Å; F295-T349 HydrophobicContact CD1-CG2 4.15Å; F295-T349 HydrophobicContact CE1-CG2 4.08Å
296G98.1Very high96.8Very high0 Ų032.8 Ų32.80%017%0.172CC..  trans60-141.4165.900000114.6R278 H281 L304 D306R278-G296 PolarHBondContact NH1-O 3.36Å; H281-G296 VanDerWaalsContact CB-O 3.24Å; H281-G296 WeakPolarHBondContact CB-O 3.46Å; G296-L304 WeakPolarHBondContact CA-O 3.3Å; G296-D306 PolarHBondContact N-O 3.32Å; G296-D306 VanDerWaalsContact N-O 3.16Å
297G97.8Very high96.9Very high0 Ų032.8 Ų32.80%017%0.172CC..  trans99.7-171.7-172.700000112.9G279 D303 L304 R333G279-G297 WeakPolarHBondContact O-CA 3.4Å; G297-D303 CarbonylContact O-C 3.59Å; G297-D303 WeakPolarHBondContact O-CA 3.43Å; G297-L304 PolarHBondContact O-N 3.47Å; G297-R333 PolarHBondContact N-O 3.34Å
298W96.9Very high97.1Very high59 Ų5932.2 Ų32.222%0.22317%0.168CC..BIsolated β-bridgetrans-127.2128.8-179.3-176.483000110.5R278 G279 G300 T301 Q302 K619 R621R278-W298 CarbonylContact C-O 3.56Å; R278-W298 WeakPolarHBondContact CA-O 3.43Å; G279-W298 PolarHBondContact N-O 3.26Å; G279-W298 PolarHBondContact O-N 2.82Å; W298-G300 VanDerWaalsContact CE3-CA 3.47Å; W298-G300 VanDerWaalsContact CH2-CA 3.41Å; W298-G300 WeakPolarHBondContact CH2-O 3.44Å; W298-G300 WeakPolarHBondContact CZ2-O 3.42Å; W298-T301 PolarHBondContact NE1-O 3.09Å; W298-Q302 WeakPolarHBondContact CA-O 3.28Å; W298-K619 HydrophobicContact CH2-CB 4.13Å; W298-K619 HydrophobicContact CH2-CG 4Å; W298-K619 HydrophobicContact CZ3-CB 4.49Å; W298-R621 HydrophobicContact CE3-CG 4.48Å; W298-R621 WeakPolarHBondContact O-CG 3.46Å
299D96.2Very high97.2Very high37 Ų3727.1 Ų27.120%0.19815%0.146CC..  trans-87.2-8.5-170.565.35.3000115.2M277 T301 Q302 L304 R621M277-D299 VanDerWaalsContact O-CA 3.32Å; M277-D299 WeakPolarHBondContact O-CA 3.45Å; M277-D299 WeakPolarHBondContact O-CB 3.47Å; D299-T301 WeakPolarHBondContact OD1-CA 3.45Å; D299-T301 WeakPolarHBondContact OD1-CB 3.48Å; D299-T301 PolarHBondContact OD1-N 3.17Å; D299-Q302 PolarHBondContact N-O 2.98Å; D299-Q302 VanDerWaalsContact N-O 3.14Å; D299-Q302 PolarHBondContact OD1-N 3.21Å; D299-L304 HydrophobicContact CB-CD1 4.23Å; D299-L304 HydrophobicContact CB-CD2 4.24Å; D299-L304 HydrophobicContact CB-CG 4.44Å; D299-R621 WeakPolarHBondContact O-CG 3.24Å
300G93.9Very high97.4Very high5 Ų525.2 Ų25.25%0.05213%0.134CC..SBendtrans122.7-21.3-16700000113W298 K619W298-G300 VanDerWaalsContact CE3-CA 3.47Å; W298-G300 VanDerWaalsContact CH2-CA 3.41Å; W298-G300 WeakPolarHBondContact CH2-O 3.44Å; W298-G300 WeakPolarHBondContact CZ2-O 3.42Å; G300-K619 VanDerWaalsContact CA-O 3.23Å; G300-K619 WeakPolarHBondContact CA-O 2.97Å; G300-K619 WeakPolarHBondContact O-CD 3.48Å
301T93.7Very high97.4Very high115 Ų11525 Ų2571%0.70614%0.136SC*.SBendtrans-134.9-49-170.7-52.70000111.1W298 D299W298-T301 PolarHBondContact NE1-O 3.09Å; D299-T301 WeakPolarHBondContact OD1-CA 3.45Å; D299-T301 WeakPolarHBondContact OD1-CB 3.48Å; D299-T301 PolarHBondContact OD1-N 3.17Å
302Q94.4Very high97.3Very high119 Ų11925.6 Ų25.656%0.55614%0.14SC*.SBendtrans-138.7159.7-173.664.7-1768.500112.6W298 D299 L304W298-Q302 WeakPolarHBondContact CA-O 3.28Å; D299-Q302 PolarHBondContact N-O 2.98Å; D299-Q302 VanDerWaalsContact N-O 3.14Å; D299-Q302 PolarHBondContact OD1-N 3.21Å; Q302-L304 HydrophobicContact CG-CD2 4.41Å
303D96.6Very high97.1Very high49 Ų4931.6 Ų31.626%0.26217%0.167SC..BIsolated β-bridgetrans-74.1148.4168.2-71.7-47.4000110.2G297 A332 S334G297-D303 CarbonylContact O-C 3.59Å; G297-D303 WeakPolarHBondContact O-CA 3.43Å; D303-A332 HydrophobicContact CB-CB 4.03Å; D303-S334 WeakPolarHBondContact OD1-CB 3.38Å; D303-S334 PolarHBondContact OD1-N 2.98Å; D303-S334 PolarHBondContact OD1-OG 3.26Å
304L97.8Very high96.9Very high24 Ų2436 Ų3613%0.12619%0.189CC..  trans-109146.7-176.5-54.6176.2000110.8R278 G296 G297 D299 Q302 D306 A332 R333R278-L304 HydrophobicContact CB-CD1 4.08Å; R278-L304 VanDerWaalsContact CZ-CD1 3.48Å; G296-L304 WeakPolarHBondContact CA-O 3.3Å; G297-L304 PolarHBondContact O-N 3.47Å; D299-L304 HydrophobicContact CB-CD1 4.23Å; D299-L304 HydrophobicContact CB-CD2 4.24Å; D299-L304 HydrophobicContact CB-CG 4.44Å; Q302-L304 HydrophobicContact CG-CD2 4.41Å; L304-D306 WeakPolarHBondContact CB-OD1 3.38Å; L304-A332 WeakPolarHBondContact O-CA 3.2Å; L304-R333 PolarHBondContact O-N 3.46Å; L304-R333 VanDerWaalsContact O-N 3.17Å
305A97.7Very high96.8Very high14 Ų1438.1 Ų38.112%0.11620%0.2CC..  trans-1167.1177.300000113T324 A332A305-T324 WeakPolarHBondContact O-CG2 3.35Å; A305-T324 PolarHBondContact O-N 3.45Å; A305-T324 PolarHBondContact O-OG1 3.28Å; A305-A332 HydrophobicContact CB-CB 3.93Å
306D97.9Very high96.6Very high19 Ų1940.7 Ų40.710%0.10221%0.212CC..  trans-78.7145.2-178.362.7-21.2000111.7R278 F295 G296 L304 W308 S321R278-D306 IonicContact CZ-OD1 2.72Å; R278-D306 IonicContact CZ-OD2 2.73Å; R278-D306 IonicContact NH1-OD1 2.85Å; R278-D306 PolarHBondContact NH1-OD1 3.02Å; R278-D306 IonicContact NH1-OD2 2.75Å; R278-D306 PolarHBondContact NH1-OD2 3.28Å; R278-D306 IonicContact NH2-OD1 3.45Å; R278-D306 IonicContact NH2-OD2 3.2Å; R278-D306 PolarHBondContact NH2-OD2 3.24Å; F295-D306 WeakPolarHBondContact CD2-O 3.41Å; G296-D306 PolarHBondContact N-O 3.32Å; G296-D306 VanDerWaalsContact N-O 3.16Å; L304-D306 WeakPolarHBondContact CB-OD1 3.38Å; D306-W308 VanDerWaalsContact CG-NE1 3.33Å; D306-W308 PolarHBondContact OD2-NE1 3.42Å; D306-S321 CarbonylContact C-O 3.58Å; D306-S321 WeakPolarHBondContact CA-O 3.35Å
307F98.6Very high96.5Very high0 Ų041.3 Ų41.30%021%0.214CC..EExtended strand (participates in β ladder)trans-129.8128.7-176.7-173.5-131.3000110.5Y293 L294 F295 I320 S321 T324 M338 I347 Y371 W378Y293-F307 HydrophobicContact CD1-CE1 4.24Å; Y293-F307 HydrophobicContact CD1-CE2 4.21Å; Y293-F307 AromaticContact CD1-CZ 3.58Å; Y293-F307 HydrophobicContact CD1-CZ 3.58Å; Y293-F307 HydrophobicContact CE1-CZ 4.46Å; Y293-F307 HydrophobicContact CG-CZ 4.2Å; L294-F307 WeakPolarHBondContact O-CA 3.24Å; L294-F307 VanDerWaalsContact O-CD2 3.22Å; L294-F307 WeakPolarHBondContact O-CD2 3.44Å; F295-F307 HydrophobicContact CB-CD2 3.77Å; F295-F307 HydrophobicContact CB-CE2 4.22Å; F295-F307 HydrophobicContact CD2-CB 4.02Å; F295-F307 HydrophobicContact CD2-CD2 4.04Å; F295-F307 HydrophobicContact CD2-CG 4.38Å; F295-F307 HydrophobicContact CG-CD2 4.24Å; F307-I320 HydrophobicContact CD1-CB 3.77Å; F307-I320 HydrophobicContact CD1-CD1 3.83Å; F307-I320 HydrophobicContact CD1-CG1 4.38Å; F307-I320 HydrophobicContact CD1-CG2 3.69Å; F307-I320 HydrophobicContact CE1-CB 4.36Å; F307-I320 HydrophobicContact CE1-CD1 3.58Å; F307-I320 HydrophobicContact CE1-CG2 4.14Å; F307-I320 HydrophobicContact CG-CB 4.47Å; F307-I320 HydrophobicContact CZ-CD1 4.23Å; F307-I320 WeakPolarHBondContact O-CB 3.33Å; F307-I320 PolarHBondContact O-N 3.24Å; F307-S321 PolarHBondContact N-O 2.99Å; F307-S321 PolarHBondContact O-N 2.83Å; F307-S321 VanDerWaalsContact O-N 3.12Å; F307-T324 HydrophobicContact CB-CG2 3.58Å; F307-T324 HydrophobicContact CG-CG2 4.39Å; F307-M338 HydrophobicContact CE2-CE 4.08Å; F307-I347 HydrophobicContact CZ-CD1 4.1Å; F307-Y371 HydrophobicContact CD1-CE2 4.45Å; F307-Y371 AromaticContact CE1-CD1 3.77Å; F307-Y371 HydrophobicContact CE1-CD1 3.77Å; F307-Y371 HydrophobicContact CE1-CD2 4.19Å; F307-Y371 AromaticContact CE1-CE1 3.58Å; F307-Y371 HydrophobicContact CE1-CE1 3.58Å; F307-Y371 HydrophobicContact CE1-CE2 4.01Å; F307-Y371 HydrophobicContact CE1-CG 4.06Å; F307-Y371 AromaticContact CE1-CZ 3.69Å; F307-Y371 HydrophobicContact CZ-CD1 4.06Å; F307-Y371 HydrophobicContact CZ-CE1 4.19Å; F307-Y371 HydrophobicContact CZ-CG 4.46Å; F307-W378 AromaticContact CD1-CZ2 3.95Å; F307-W378 HydrophobicContact CD1-CZ2 3.95Å; F307-W378 HydrophobicContact CD2-CZ2 4.36Å; F307-W378 HydrophobicContact CE1-CZ2 4.04Å; F307-W378 HydrophobicContact CE2-CZ2 4.44Å; F307-W378 HydrophobicContact CG-CZ2 4.13Å; F307-W378 HydrophobicContact CZ-CZ2 4.29Å
308W98.4Very high96.4Very high3 Ų344 Ų441%0.01124%0.236CC..EExtended strand (participates in β ladder)trans-131.8151.3-169.5-63.986.7000111.5R274 P275 Y293 L294 D306 W317 A318 C319R274-W308 WeakPolarHBondContact O-CH2 3.39Å; P275-W308 HydrophobicContact CB-CD2 4.29Å; P275-W308 HydrophobicContact CB-CG 4.18Å; P275-W308 HydrophobicContact CG-CB 3.96Å; P275-W308 HydrophobicContact CG-CD2 3.81Å; P275-W308 HydrophobicContact CG-CE3 4.26Å; P275-W308 HydrophobicContact CG-CG 3.66Å; Y293-W308 CarbonylContact C-O 3.51Å; Y293-W308 VanDerWaalsContact CA-O 3.31Å; Y293-W308 WeakPolarHBondContact CA-O 3.25Å; L294-W308 HydrophobicContact CB-CB 4.42Å; L294-W308 PolarHBondContact N-O 3.43Å; L294-W308 PolarHBondContact O-N 3.04Å; D306-W308 VanDerWaalsContact CG-NE1 3.33Å; D306-W308 PolarHBondContact OD2-NE1 3.42Å; W308-W317 HydrophobicContact CB-CE3 3.8Å; W308-W317 HydrophobicContact CB-CZ3 3.93Å; W308-W317 HydrophobicContact CE3-CB 4.25Å; W308-A318 WeakPolarHBondContact CA-O 3.3Å; W308-C319 HydrophobicContact CD2-CB 4.18Å; W308-C319 VanDerWaalsContact CE3-CA 3.45Å; W308-C319 HydrophobicContact CE3-CB 3.71Å; W308-C319 HydrophobicContact CH2-CB 3.66Å; W308-C319 HydrophobicContact CZ2-CB 4.12Å; W308-C319 HydrophobicContact CZ3-CB 3.44Å; W308-C319 VanDerWaalsContact CZ3-CB 3.44Å
309A98.2Very high96.4Very high12 Ų1243.3 Ų43.310%0.09924%0.24CC..EExtended strand (participates in β ladder)trans-124.6135.4167.100000110.3T291 V292 Y293 W317 A318 I320T291-A309 HydrophobicContact CG2-CB 3.91Å; V292-A309 CarbonylContact O-C 3.17Å; V292-A309 VanDerWaalsContact O-CA 3.32Å; V292-A309 WeakPolarHBondContact O-CA 3.42Å; Y293-A309 HydrophobicContact CD1-CB 3.94Å; Y293-A309 HydrophobicContact CE1-CB 3.82Å; A309-W317 CarbonylContact O-C 3.5Å; A309-W317 WeakPolarHBondContact O-CA 3.39Å; A309-A318 PolarHBondContact N-O 3.14Å; A309-A318 PolarHBondContact O-N 2.95Å; A309-I320 HydrophobicContact CB-CD1 3.68Å; A309-I320 HydrophobicContact CB-CG1 4.19Å
310Y98.3Very high96.4Very high7 Ų743.3 Ų43.33%0.02724%0.24CC..EExtended strand (participates in β ladder)trans-109.7122.5170.5174.9-98.6000109.4I248 P250 T291 V292 V312 N315 Q316 W317 F625I248-Y310 HydrophobicContact CG2-CE2 4.22Å; I248-Y310 WeakPolarHBondContact CG2-OH 3.3Å; P250-Y310 HydrophobicContact CB-CE2 4.3Å; P250-Y310 HydrophobicContact CG-CE2 4.21Å; T291-Y310 CarbonylContact C-O 3.48Å; T291-Y310 VanDerWaalsContact CA-O 3.32Å; T291-Y310 WeakPolarHBondContact CA-O 3.32Å; V292-Y310 PolarHBondContact N-O 3.33Å; V292-Y310 PolarHBondContact O-N 3.35Å; Y310-V312 HydrophobicContact CD1-CG2 4.14Å; Y310-V312 HydrophobicContact CE1-CB 4.33Å; Y310-V312 HydrophobicContact CE1-CG2 3.85Å; Y310-N315 PolarHBondContact OH-OD1 3.15Å; Y310-Q316 WeakPolarHBondContact CA-O 3.34Å; Y310-Q316 WeakPolarHBondContact CD2-O 3.31Å; Y310-W317 VanDerWaalsContact CB-CE3 3.49Å; Y310-W317 VanDerWaalsContact CB-CZ3 3.5Å; Y310-W317 AromaticContact CD2-CD1 3.83Å; Y310-W317 AromaticContact CD2-CD2 3.93Å; Y310-W317 HydrophobicContact CD2-CD2 3.93Å; Y310-W317 AromaticContact CD2-CE2 3.74Å; Y310-W317 AromaticContact CD2-CG 3.97Å; Y310-W317 HydrophobicContact CD2-CG 3.97Å; Y310-W317 HydrophobicContact CD2-CZ2 4.3Å; Y310-W317 AromaticContact CD2-NE1 3.68Å; Y310-W317 HydrophobicContact CG-CD2 4.22Å; Y310-W317 HydrophobicContact CG-CH2 4.49Å; Y310-W317 HydrophobicContact CG-CZ2 4.19Å; Y310-F625 AromaticContact CD1-CE1 3.57Å; Y310-F625 HydrophobicContact CD1-CE1 3.57Å; Y310-F625 AromaticContact CD1-CZ 4Å; Y310-F625 HydrophobicContact CD1-CZ 4Å; Y310-F625 AromaticContact CD2-CE1 3.97Å; Y310-F625 HydrophobicContact CD2-CE1 3.97Å; Y310-F625 AromaticContact CE1-CE1 3.58Å; Y310-F625 HydrophobicContact CE1-CE1 3.58Å; Y310-F625 HydrophobicContact CE1-CZ 4.25Å; Y310-F625 HydrophobicContact CE2-CD1 4.42Å; Y310-F625 HydrophobicContact CE2-CE1 4Å; Y310-F625 AromaticContact CG-CE1 3.76Å; Y310-F625 HydrophobicContact CG-CE1 3.76Å; Y310-F625 HydrophobicContact CG-CZ 4.37Å; Y310-F625 AromaticContact CZ-CE1 3.81Å
311S97.4Very high96.5Very high30 Ų3043.2 Ų43.221%0.2124%0.238CC..EExtended strand (participates in β ladder)trans-88.1119.4169.7170.20000109.4Q313 E314 N315 Q316S311-Q313 VanDerWaalsContact C-N 3.33Å; S311-E314 PolarHBondContact OG-N 2.97Å; S311-E314 VanDerWaalsContact OG-N 3.15Å; S311-N315 VanDerWaalsContact O-CA 3.32Å; S311-N315 WeakPolarHBondContact O-CA 3.29Å; S311-N315 PolarHBondContact O-N 3.38Å; S311-Q316 PolarHBondContact N-O 3.34Å; S311-Q316 PolarHBondContact O-N 3.36Å
312V96.3Very high96.7Very high31 Ų3145 Ų4519%0.18823%0.232CC..THydrogen-bonded Turntrans-63.8-41.8174.6174.10000110.5E290 Y310 N315 Y606E290-V312 HydrophobicContact CB-CB 3.79Å; E290-V312 HydrophobicContact CB-CG1 4.49Å; E290-V312 HydrophobicContact CB-CG2 4.08Å; E290-V312 WeakPolarHBondContact O-CB 3.46Å; E290-V312 WeakPolarHBondContact O-CG2 3.38Å; E290-V312 PolarHBondContact O-N 2.89Å; Y310-V312 HydrophobicContact CD1-CG2 4.14Å; Y310-V312 HydrophobicContact CE1-CB 4.33Å; Y310-V312 HydrophobicContact CE1-CG2 3.85Å; V312-N315 PolarHBondContact O-N 2.7Å; V312-Y606 WeakPolarHBondContact CG1-OH 3.36Å; V312-Y606 HydrophobicContact CG2-CE1 3.98Å; V312-Y606 HydrophobicContact CG2-CE2 4.27Å; V312-Y606 VanDerWaalsContact CG2-OH 3.29Å; V312-Y606 WeakPolarHBondContact CG2-OH 3.37Å
313Q94.5Very high96.8Very high125 Ų12541.2 Ų41.258%0.58422%0.215SC*.THydrogen-bonded Turntrans-63.2-45.5-178.6-64.8-179.32.300111.9E290 S311 N315E290-Q313 PolarHBondContact OE1-NE2 3.41Å; S311-Q313 VanDerWaalsContact C-N 3.33Å; Q313-N315 VanDerWaalsContact C-N 3.33Å
314E95Very high96.9Very high108 Ų10838.9 Ų38.951%0.50520%0.203SC..THydrogen-bonded Turntrans-81-18.7-179.9-63-57152.900112.8K251 S311 Q316K251-E314 PolarHBondContact NZ-O 3.29Å; S311-E314 PolarHBondContact OG-N 2.97Å; S311-E314 VanDerWaalsContact OG-N 3.15Å; E314-Q316 HydrophobicContact CB-CB 4.24Å; E314-Q316 HydrophobicContact CB-CG 4.42Å
315N95.4Very high96.8Very high43 Ų4343.3 Ų43.323%0.2322%0.223CC..THydrogen-bonded Turntrans53.851.1-167.9-177.533000111.4I248 I249 P250 K251 Y310 S311 V312 Q313I248-N315 WeakPolarHBondContact CG2-OD1 3.13Å; I249-N315 PolarHBondContact O-ND2 2.59Å; P250-N315 WeakPolarHBondContact CA-O 3.43Å; K251-N315 PolarHBondContact N-O 3.3Å; Y310-N315 PolarHBondContact OH-OD1 3.15Å; S311-N315 VanDerWaalsContact O-CA 3.32Å; S311-N315 WeakPolarHBondContact O-CA 3.29Å; S311-N315 PolarHBondContact O-N 3.38Å; V312-N315 PolarHBondContact O-N 2.7Å; Q313-N315 VanDerWaalsContact C-N 3.33Å
316Q94.8Very high96.7Very high54 Ų5450.7 Ų50.725%0.25225%0.252SS..EExtended strand (participates in β ladder)trans-142.9142.1-174.5-74.2-171.6-4.500112.5K251 N253 Y310 S311 E314K251-Q316 HydrophobicContact CB-CG 3.85Å; N253-Q316 PolarHBondContact OD1-NE2 3.11Å; N253-Q316 PolarHBondContact OD1-OE1 3.15Å; Y310-Q316 WeakPolarHBondContact CA-O 3.34Å; Y310-Q316 WeakPolarHBondContact CD2-O 3.31Å; S311-Q316 PolarHBondContact N-O 3.34Å; S311-Q316 PolarHBondContact O-N 3.36Å; E314-Q316 HydrophobicContact CB-CB 4.24Å; E314-Q316 HydrophobicContact CB-CG 4.42Å
317W96.5Very high96.6Very high14 Ų1453.6 Ų53.65%0.05327%0.266CS..EExtended strand (participates in β ladder)trans-88.9141166.8-72.4100.7000110.4P250 N273 R274 P275 L294 W308 A309 Y310 F608 F625P250-W317 VanDerWaalsContact CG-CD1 3.45Å; N273-W317 WeakPolarHBondContact O-CB 3.16Å; R274-W317 HydrophobicContact CB-CB 4.47Å; R274-W317 HydrophobicContact CB-CG 4.23Å; P275-W317 VanDerWaalsContact CD-CD2 3.41Å; P275-W317 HydrophobicContact CG-CD2 3.79Å; P275-W317 HydrophobicContact CG-CE3 3.67Å; P275-W317 HydrophobicContact CG-CG 4.47Å; P275-W317 HydrophobicContact CG-CH2 4.09Å; P275-W317 HydrophobicContact CG-CZ2 4.18Å; P275-W317 HydrophobicContact CG-CZ3 3.83Å; L294-W317 HydrophobicContact CB-CH2 4.27Å; L294-W317 HydrophobicContact CB-CZ3 4.09Å; L294-W317 HydrophobicContact CD1-CH2 4.24Å; W308-W317 HydrophobicContact CB-CE3 3.8Å; W308-W317 HydrophobicContact CB-CZ3 3.93Å; W308-W317 HydrophobicContact CE3-CB 4.25Å; A309-W317 CarbonylContact O-C 3.5Å; A309-W317 WeakPolarHBondContact O-CA 3.39Å; Y310-W317 VanDerWaalsContact CB-CE3 3.49Å; Y310-W317 VanDerWaalsContact CB-CZ3 3.5Å; Y310-W317 AromaticContact CD2-CD1 3.83Å; Y310-W317 AromaticContact CD2-CD2 3.93Å; Y310-W317 HydrophobicContact CD2-CD2 3.93Å; Y310-W317 AromaticContact CD2-CE2 3.74Å; Y310-W317 AromaticContact CD2-CG 3.97Å; Y310-W317 HydrophobicContact CD2-CG 3.97Å; Y310-W317 HydrophobicContact CD2-CZ2 4.3Å; Y310-W317 AromaticContact CD2-NE1 3.68Å; Y310-W317 HydrophobicContact CG-CD2 4.22Å; Y310-W317 HydrophobicContact CG-CH2 4.49Å; Y310-W317 HydrophobicContact CG-CZ2 4.19Å; W317-F608 HydrophobicContact CZ2-CD2 4.32Å; W317-F608 HydrophobicContact CZ2-CE2 4.41Å; W317-F625 AromaticContact CZ2-CD1 3.98Å; W317-F625 HydrophobicContact CZ2-CD1 3.98Å; W317-F625 AromaticContact CZ2-CE1 3.85Å; W317-F625 HydrophobicContact CZ2-CE1 3.85Å; W317-F625 HydrophobicContact CZ2-CE2 4.45Å; W317-F625 HydrophobicContact CZ2-CG 4.35Å; W317-F625 HydrophobicContact CZ2-CZ 4.12Å
318A95.7Very high96.4Very high55 Ų5559.8 Ų59.846%0.45530%0.299SS..EExtended strand (participates in β ladder)trans-119.3128.1167.800000108.7W308 A309 I320W308-A318 WeakPolarHBondContact CA-O 3.3Å; A309-A318 PolarHBondContact N-O 3.14Å; A309-A318 PolarHBondContact O-N 2.95Å; A318-I320 PolarHBondContact O-N 2.9Å
319C96.3Very high96.4Very high46 Ų4659.8 Ų59.831%0.31130%0.299SS..EExtended strand (participates in β ladder)trans-77.4110.9169.3-169.80000107.8W308 R322W308-C319 HydrophobicContact CD2-CB 4.18Å; W308-C319 VanDerWaalsContact CE3-CA 3.45Å; W308-C319 HydrophobicContact CE3-CB 3.71Å; W308-C319 HydrophobicContact CH2-CB 3.66Å; W308-C319 HydrophobicContact CZ2-CB 4.12Å; W308-C319 HydrophobicContact CZ3-CB 3.44Å; W308-C319 VanDerWaalsContact CZ3-CB 3.44Å; C319-R322 VanDerWaalsContact SG-CD 3.5Å; C319-R322 PolarHBondContact SG-NE 3.37Å
320I96.9Very high96.3Very high37 Ų3759.2 Ų59.219%0.1929%0.294CS..EExtended strand (participates in β ladder)trans-76.7-47.4176.6-64.5175.3000109.1Y293 F307 A309 A318 Y371Y293-I320 HydrophobicContact CD1-CD1 3.86Å; Y293-I320 HydrophobicContact CE1-CD1 3.73Å; F307-I320 HydrophobicContact CD1-CB 3.77Å; F307-I320 HydrophobicContact CD1-CD1 3.83Å; F307-I320 HydrophobicContact CD1-CG1 4.38Å; F307-I320 HydrophobicContact CD1-CG2 3.69Å; F307-I320 HydrophobicContact CE1-CB 4.36Å; F307-I320 HydrophobicContact CE1-CD1 3.58Å; F307-I320 HydrophobicContact CE1-CG2 4.14Å; F307-I320 HydrophobicContact CG-CB 4.47Å; F307-I320 HydrophobicContact CZ-CD1 4.23Å; F307-I320 WeakPolarHBondContact O-CB 3.33Å; F307-I320 PolarHBondContact O-N 3.24Å; A309-I320 HydrophobicContact CB-CD1 3.68Å; A309-I320 HydrophobicContact CB-CG1 4.19Å; A318-I320 PolarHBondContact O-N 2.9Å; I320-Y371 VanDerWaalsContact CG2-OH 3.26Å; I320-Y371 WeakPolarHBondContact CG2-OH 3.45Å
321S97.1Very high96.2Very high2 Ų259.7 Ų59.71%0.01430%0.299CS..EExtended strand (participates in β ladder)trans-145.6137.6175.9-178.20000110.3D306 F307 D323 T324 E327D306-S321 CarbonylContact C-O 3.58Å; D306-S321 WeakPolarHBondContact CA-O 3.35Å; F307-S321 PolarHBondContact N-O 2.99Å; F307-S321 PolarHBondContact O-N 2.83Å; F307-S321 VanDerWaalsContact O-N 3.12Å; S321-D323 VanDerWaalsContact C-N 3.33Å; S321-D323 PolarHBondContact OG-N 3.47Å; S321-D323 VanDerWaalsContact OG-N 3.17Å; S321-D323 PolarHBondContact OG-O 2.7Å; S321-T324 PolarHBondContact OG-N 3.15Å; S321-E327 WeakPolarHBondContact CB-OE1 3.35Å; S321-E327 WeakPolarHBondContact CB-OE2 3.17Å; S321-E327 PolarHBondContact OG-OE1 3.24Å; S321-E327 PolarHBondContact OG-OE2 3.04Å
322R96Very high96.2Very high152 Ų15260 Ų6057%0.57430%0.303SS*.SBendtrans-80.2-21.2171.5-67.8-74.5-178.3178.4-2.9111.9D272 C319D272-R322 PolarHBondContact O-NH2 3.24Å; C319-R322 VanDerWaalsContact SG-CD 3.5Å; C319-R322 PolarHBondContact SG-NE 3.37Å
323D97.3Very high96.2Very high40 Ų4058.5 Ų58.521%0.21429%0.294CS..  trans-15990.8-175.5-174.2-8.6000109.4S321 E325 K326S321-D323 VanDerWaalsContact C-N 3.33Å; S321-D323 PolarHBondContact OG-N 3.47Å; S321-D323 VanDerWaalsContact OG-N 3.17Å; S321-D323 PolarHBondContact OG-O 2.7Å; D323-E325 PolarHBondContact O-N 3.43Å; D323-E325 WeakPolarHBondContact OD1-CB 3.26Å; D323-E325 PolarHBondContact OD1-N 2.94Å; D323-K326 HydrophobicContact CB-CD 4.13Å; D323-K326 HydrophobicContact CB-CG 4.4Å; D323-K326 PolarHBondContact O-N 2.94Å; D323-K326 WeakPolarHBondContact OD2-CD 3.43Å; D323-K326 WeakPolarHBondContact OD2-CE 3.12Å; D323-K326 IonicContact OD2-NZ 3.59Å; D323-K326 PolarHBondContact OD2-NZ 3.19Å
324T97.9Very high96.3Very high0 Ų053 Ų530%027%0.269CS..G310 helixtrans-61.9-24.7-176.350.50000113.4F295 A305 F307 S321 K326 E327 N328 G329 P330 W378F295-T324 HydrophobicContact CD2-CG2 4.36Å; F295-T324 HydrophobicContact CE2-CG2 3.82Å; F295-T324 VanDerWaalsContact CE2-OG1 3.23Å; F295-T324 WeakPolarHBondContact CE2-OG1 3.46Å; A305-T324 WeakPolarHBondContact O-CG2 3.35Å; A305-T324 PolarHBondContact O-N 3.45Å; A305-T324 PolarHBondContact O-OG1 3.28Å; F307-T324 HydrophobicContact CB-CG2 3.58Å; F307-T324 HydrophobicContact CG-CG2 4.39Å; S321-T324 PolarHBondContact OG-N 3.15Å; T324-K326 VanDerWaalsContact C-N 3.27Å; T324-K326 PolarHBondContact O-N 3.24Å; T324-E327 CarbonylContact O-C 3.58Å; T324-E327 WeakPolarHBondContact O-CA 3.34Å; T324-E327 PolarHBondContact O-N 3.17Å; T324-N328 PolarHBondContact O-N 2.92Å; T324-G329 WeakPolarHBondContact O-CA 3.49Å; T324-G329 PolarHBondContact O-N 3.17Å; T324-P330 PolarHBondContact OG1-O 3.09Å; T324-W378 HydrophobicContact CG2-CZ2 4.19Å
325E96.2Very high96.4Very high117 Ų11749.2 Ų49.255%0.54726%0.255SS..G310 helixtrans-63.7-34.8178.7-167.2170.7171.600111.8D323 E327 N328 S331D323-E325 PolarHBondContact O-N 3.43Å; D323-E325 WeakPolarHBondContact OD1-CB 3.26Å; D323-E325 PolarHBondContact OD1-N 2.94Å; E325-E327 PolarHBondContact O-N 2.78Å; E325-N328 PolarHBondContact O-N 3.25Å; E325-S331 WeakPolarHBondContact OE2-CA 3.46Å; E325-S331 VanDerWaalsContact OE2-CB 3.26Å; E325-S331 WeakPolarHBondContact OE2-CB 3.17Å
326K96.5Very high96.5Very high169 Ų16947.2 Ų47.274%0.73524%0.244SC*.G310 helixtrans-69.9-12.9174.5-68.1177.7-179.6129.80113.4D323 T324D323-K326 HydrophobicContact CB-CD 4.13Å; D323-K326 HydrophobicContact CB-CG 4.4Å; D323-K326 PolarHBondContact O-N 2.94Å; D323-K326 WeakPolarHBondContact OD2-CD 3.43Å; D323-K326 WeakPolarHBondContact OD2-CE 3.12Å; D323-K326 IonicContact OD2-NZ 3.59Å; D323-K326 PolarHBondContact OD2-NZ 3.19Å; T324-K326 VanDerWaalsContact C-N 3.27Å; T324-K326 PolarHBondContact O-N 3.24Å
327E95.1Very high96.6Very high81 Ų8145 Ų4538%0.37923%0.233SC..G310 helixtrans-114.326.9-177.3-64.2171.9-14900111.8S321 T324 E325 G329S321-E327 WeakPolarHBondContact CB-OE1 3.35Å; S321-E327 WeakPolarHBondContact CB-OE2 3.17Å; S321-E327 PolarHBondContact OG-OE1 3.24Å; S321-E327 PolarHBondContact OG-OE2 3.04Å; T324-E327 CarbonylContact O-C 3.58Å; T324-E327 WeakPolarHBondContact O-CA 3.34Å; T324-E327 PolarHBondContact O-N 3.17Å; E325-E327 PolarHBondContact O-N 2.78Å; E327-G329 PolarHBondContact O-N 2.88Å
328N94.9Very high96.7Very high130 Ų13045 Ų4570%0.69523%0.234SC*.THydrogen-bonded Turntrans61.217.6-176.7-49.7-68.3000114.3T324 E325 Y369T324-N328 PolarHBondContact O-N 2.92Å; E325-N328 PolarHBondContact O-N 3.25Å; N328-Y369 WeakPolarHBondContact O-CE1 3.3Å
329G97.3Very high96.8Very high2 Ų242.7 Ų42.72%0.02122%0.215CC..SBendtrans-89.1-173.1173.600000113.2T324 E327 Y369 W378T324-G329 WeakPolarHBondContact O-CA 3.49Å; T324-G329 PolarHBondContact O-N 3.17Å; E327-G329 PolarHBondContact O-N 2.88Å; G329-Y369 WeakPolarHBondContact O-CE1 3.27Å; G329-W378 VanDerWaalsContact CA-CB 3.48Å; G329-W378 VanDerWaalsContact CA-CG 3.45Å
330P97.5Very high96.9Very high0 Ų041.7 Ų41.70%021%0.206CC..PPolyproline II helixtrans-70.5142.5-178-8.522.5000111.9F295 T324 R333 T349 Y369 W378F295-P330 HydrophobicContact CE1-CB 3.93Å; F295-P330 HydrophobicContact CE1-CG 3.89Å; F295-P330 HydrophobicContact CZ-CB 3.86Å; F295-P330 HydrophobicContact CZ-CG 3.93Å; T324-P330 PolarHBondContact OG1-O 3.09Å; P330-R333 VanDerWaalsContact CB-NE 3.34Å; P330-T349 HydrophobicContact CG-CG2 4.25Å; P330-Y369 HydrophobicContact CB-CD2 3.83Å; P330-Y369 HydrophobicContact CB-CE2 3.96Å; P330-Y369 HydrophobicContact CB-CG 4.25Å; P330-Y369 HydrophobicContact CG-CD1 4.3Å; P330-Y369 HydrophobicContact CG-CD2 3.82Å; P330-Y369 HydrophobicContact CG-CE2 4.37Å; P330-Y369 HydrophobicContact CG-CG 3.76Å; P330-W378 HydrophobicContact CG-CE3 4.09Å; P330-W378 HydrophobicContact CG-CH2 4.18Å; P330-W378 HydrophobicContact CG-CZ3 3.83Å
331S96.3Very high97Very high17 Ų1740 Ų4012%0.11920%0.197CC..PPolyproline II helixtrans-57164.1169.675.40000112.8E325 R333 R352E325-S331 WeakPolarHBondContact OE2-CA 3.46Å; E325-S331 VanDerWaalsContact OE2-CB 3.26Å; E325-S331 WeakPolarHBondContact OE2-CB 3.17Å; S331-R333 VanDerWaalsContact N-NH2 3.2Å; S331-R333 WeakPolarHBondContact O-CG 3.36Å; S331-R333 PolarHBondContact O-N 2.95Å; S331-R333 PolarHBondContact O-NE 3.01Å; S331-R333 PolarHBondContact OG-NH2 3.11Å; S331-R352 PolarHBondContact OG-NH1 3.36Å; S331-R352 VanDerWaalsContact OG-NH1 3.14Å
332A97.1Very high96.8Very high36 Ų3641.3 Ų41.330%0.29821%0.207SC..SBendtrans-46.7130.317000000111.6D303 L304 A305D303-A332 HydrophobicContact CB-CB 4.03Å; L304-A332 WeakPolarHBondContact O-CA 3.2Å; A305-A332 HydrophobicContact CB-CB 3.93Å
333R96.9Very high96.7Very high1 Ų139.7 Ų39.70%0.00421%0.206CC..  trans-161151.2-174.658.7-174.874-156.2-3.1115F295 G297 L304 P330 S331 H336 G351 R352 D367F295-R333 HydrophobicContact CE1-CG 3.85Å; F295-R333 HydrophobicContact CZ-CG 4.34Å; G297-R333 PolarHBondContact N-O 3.34Å; L304-R333 PolarHBondContact O-N 3.46Å; L304-R333 VanDerWaalsContact O-N 3.17Å; P330-R333 VanDerWaalsContact CB-NE 3.34Å; S331-R333 VanDerWaalsContact N-NH2 3.2Å; S331-R333 WeakPolarHBondContact O-CG 3.36Å; S331-R333 PolarHBondContact O-N 2.95Å; S331-R333 PolarHBondContact O-NE 3.01Å; S331-R333 PolarHBondContact OG-NH2 3.11Å; R333-H336 HydrophobicContact CG-CB 4.35Å; R333-H336 PolarHBondContact O-ND1 2.86Å; R333-G351 PolarHBondContact NH1-O 3.31Å; R333-R352 HydrophobicContact CB-CB 3.75Å; R333-D367 IonicContact CZ-OD1 3.29Å; R333-D367 IonicContact CZ-OD2 3.47Å; R333-D367 IonicContact NH1-OD1 3.62Å; R333-D367 PolarHBondContact NH1-OD1 2.94Å; R333-D367 IonicContact NH1-OD2 2.76Å; R333-D367 IonicContact NH2-OD1 3.64Å; R333-D367 PolarHBondContact NH2-OD1 3.32Å; R333-D367 IonicContact NH2-OD2 2.67Å; R333-D367 PolarHBondContact NH2-OD2 3.33Å
334S96.6Very high96.6Very high8 Ų840.8 Ų40.86%0.05621%0.207CC..SBendtrans-130.3165.5168.859.40000111.8D303 H336 R352 Y353D303-S334 WeakPolarHBondContact OD1-CB 3.38Å; D303-S334 PolarHBondContact OD1-N 2.98Å; D303-S334 PolarHBondContact OD1-OG 3.26Å; S334-H336 PolarHBondContact O-N 2.9Å; S334-R352 WeakPolarHBondContact O-CA 3.05Å; S334-Y353 PolarHBondContact O-N 3.04Å
335C95.6Very high96.5Very high30 Ų3043.8 Ų43.820%0.20322%0.218CC..SBendtrans56.522.5-178.2-56.10000114.7G280 F395 D396G280-C335 PolarHBondContact O-N 2.91Å; C335-F395 HydrophobicContact CB-CB 4.09Å; C335-F395 WeakPolarHBondContact O-CA 3.38Å; C335-D396 PolarHBondContact O-N 2.79Å; C335-D396 VanDerWaalsContact O-N 3.14Å
336H97.5Very high96.6Very high0 Ų039.2 Ų39.20%020%0.196CC..  trans-82.2178.3168.866.6-87000110.1Q282 F295 R333 S334 L350 G351Q282-H336 VanDerWaalsContact CG-CD2 3.48Å; Q282-H336 WeakPolarHBondContact CG-CD2 3.4Å; Q282-H336 WeakPolarHBondContact CG-NE2 3.34Å; Q282-H336 WeakPolarHBondContact CG-O 3.3Å; Q282-H336 PolarHBondContact NE2-O 3.01Å; F295-H336 AromaticContact CD1-CE1 3.9Å; F295-H336 AromaticContact CD1-NE2 3.4Å; F295-H336 WeakPolarHBondContact CD1-NE2 3.28Å; F295-H336 PolarHBondContact O-CE1 2.79Å; R333-H336 HydrophobicContact CG-CB 4.35Å; R333-H336 PolarHBondContact O-ND1 2.86Å; S334-H336 PolarHBondContact O-N 2.9Å; H336-L350 WeakPolarHBondContact CB-O 3.46Å; H336-G351 WeakPolarHBondContact CB-O 3.47Å
337K97.8Very high96.7Very high9 Ų931.1 Ų31.14%0.03916%0.162CC..EExtended strand (participates in β ladder)trans-127.5149.5173.7-72.6-73.9147.3-170.40112.1T349 L350 H397 M399K337-T349 WeakPolarHBondContact O-CA 3.49Å; K337-L350 PolarHBondContact N-O 3.13Å; K337-L350 PolarHBondContact O-N 3.24Å; K337-L350 VanDerWaalsContact O-N 3.09Å; K337-H397 WeakPolarHBondContact CB-NE2 3.39Å; K337-H397 VanDerWaalsContact CD-O 3.31Å; K337-H397 WeakPolarHBondContact CD-O 3.48Å; K337-H397 WeakPolarHBondContact CE-O 3.47Å; K337-H397 WeakPolarHBondContact CG-O 3.4Å; K337-M399 HydrophobicContact CB-CB 4.07Å; K337-M399 HydrophobicContact CB-CG 3.71Å; K337-M399 HydrophobicContact CB-SD 3.6Å; K337-M399 VanDerWaalsContact CB-SD 3.6Å; K337-M399 HydrophobicContact CG-CG 4.44Å
338M98.4Very high96.9Very high12 Ų1227.4 Ų27.46%0.05914%0.144CC..EExtended strand (participates in β ladder)trans-126.8143.6171.2-68.5167.772.200110.3Q282 V284 F295 F307 I347 Y348 T349Q282-M338 HydrophobicContact CB-CB 4Å; Q282-M338 HydrophobicContact CB-CG 3.74Å; Q282-M338 HydrophobicContact CB-SD 3.51Å; Q282-M338 VanDerWaalsContact CB-SD 3.51Å; Q282-M338 HydrophobicContact CG-CG 4.38Å; V284-M338 HydrophobicContact CG1-CB 3.73Å; V284-M338 HydrophobicContact CG2-CE 4.06Å; F295-M338 HydrophobicContact CB-CE 4.02Å; F295-M338 HydrophobicContact CB-SD 3.46Å; F295-M338 WeakPolarHBondContact CB-SD 3.27Å; F295-M338 HydrophobicContact CD1-SD 4.34Å; F295-M338 HydrophobicContact CG-SD 4.38Å; F307-M338 HydrophobicContact CE2-CE 4.08Å; M338-I347 HydrophobicContact CB-CG2 4.41Å; M338-I347 HydrophobicContact CE-CG2 3.3Å; M338-I347 HydrophobicContact CG-CG2 4.49Å; M338-Y348 WeakPolarHBondContact CA-O 3.49Å; M338-T349 HydrophobicContact CG-CG2 4.33Å
339C98.4Very high97.1Very high8 Ų821.2 Ų21.25%0.05411%0.111CC..EExtended strand (participates in β ladder)trans-136.2154.5164.764.30000110I347 Y348 M399 M401C339-I347 WeakPolarHBondContact O-CA 3.41Å; C339-Y348 PolarHBondContact N-O 3.07Å; C339-Y348 VanDerWaalsContact N-O 3.14Å; C339-Y348 PolarHBondContact O-N 2.77Å; C339-M399 HydrophobicContact CB-CB 4.4Å; C339-M401 HydrophobicContact CB-CB 4.19Å
340I98.1Very high97.2Very high25 Ų2521.1 Ų21.113%0.12811%0.11CC..EExtended strand (participates in β ladder)trans-116.3129.7-179-173.4169.5000110.3V284 D286 S342 Q346 I347 I373 M401V284-I340 HydrophobicContact CB-CB 4.07Å; V284-I340 HydrophobicContact CB-CG2 4.01Å; V284-I340 HydrophobicContact CG1-CB 4.49Å; V284-I340 HydrophobicContact CG2-CB 4.16Å; D286-I340 HydrophobicContact CB-CD1 3.95Å; I340-S342 PolarHBondContact O-N 3.39Å; I340-Q346 CarbonylContact C-O 3.41Å; I340-Q346 WeakPolarHBondContact CA-O 3.22Å; I340-I347 HydrophobicContact CB-CG1 4.33Å; I340-I347 HydrophobicContact CD1-CG1 4.11Å; I340-I347 HydrophobicContact CG1-CG1 4.04Å; I340-I373 HydrophobicContact CD1-CD1 3.77Å; I340-M401 WeakPolarHBondContact O-CB 3.17Å; I340-M401 WeakPolarHBondContact O-CG 3.18Å
341D97.4Very high97.1Very high0 Ų021.1 Ų21.10%011%0.11CC..EExtended strand (participates in β ladder)trans-83.799.2161.9-175.2-27.3000107.5Q343 R344 R345 Q346 Y348 M401 H406D341-Q343 VanDerWaalsContact C-N 3.28Å; D341-Q343 PolarHBondContact O-N 3.45Å; D341-Q343 PolarHBondContact OD1-N 2.92Å; D341-Q343 VanDerWaalsContact OD1-N 3.07Å; D341-R344 HydrophobicContact CB-CB 4.33Å; D341-R344 PolarHBondContact O-N 3.36Å; D341-R344 PolarHBondContact OD1-N 3.49Å; D341-R344 WeakPolarHBondContact OD2-CD 3.47Å; D341-R345 VanDerWaalsContact O-CA 3.26Å; D341-R345 WeakPolarHBondContact O-CA 3.34Å; D341-R345 PolarHBondContact O-N 3.27Å; D341-Q346 HydrophobicContact CB-CB 4.46Å; D341-Q346 PolarHBondContact N-O 3.22Å; D341-Q346 PolarHBondContact O-N 2.9Å; D341-Q346 VanDerWaalsContact O-N 3.15Å; D341-Y348 HydrophobicContact CB-CE2 4.18Å; D341-M401 HydrophobicContact CB-CE 3.56Å; D341-M401 HydrophobicContact CB-CG 4.25Å; D341-M401 HydrophobicContact CB-SD 4.02Å; D341-M401 VanDerWaalsContact CG-CE 3.46Å; D341-M401 WeakPolarHBondContact OD2-CE 3.48Å; D341-H406 IonicContact OD1-ND1 3.56Å; D341-H406 IonicContact OD2-CE1 3.02Å; D341-H406 IonicContact OD2-CG 3.3Å; D341-H406 IonicContact OD2-ND1 3.11Å; D341-H406 PolarHBondContact OD2-ND1 3.03Å
342S93.1Very high97.1Very high31 Ų3122.7 Ų22.722%0.21711%0.113CC..THydrogen-bonded Turntrans-66.5-27.5-178.150.60000113.1I340 S403I340-S342 PolarHBondContact O-N 3.39Å; S342-S403 PolarHBondContact N-OG 3.47Å; S342-S403 PolarHBondContact OG-OG 3.34Å
343Q94.5Very high96.9Very high118 Ų11824.7 Ų24.755%0.55111%0.114SC*.THydrogen-bonded Turntrans-75.4-36.7178.5-68.3-171.93.400111.8D341 S403D341-Q343 VanDerWaalsContact C-N 3.28Å; D341-Q343 PolarHBondContact O-N 3.45Å; D341-Q343 PolarHBondContact OD1-N 2.92Å; D341-Q343 VanDerWaalsContact OD1-N 3.07Å; Q343-S403 PolarHBondContact OE1-O 3.37Å
344R95.4Very high96.6Very high62 Ų6226.2 Ų26.223%0.23412%0.122CC..THydrogen-bonded Turntrans-95.1-9.3178.4-64.3-172.3175.7153.110.2114.3D341 Q346 H406 Q441D341-R344 HydrophobicContact CB-CB 4.33Å; D341-R344 PolarHBondContact O-N 3.36Å; D341-R344 PolarHBondContact OD1-N 3.49Å; D341-R344 WeakPolarHBondContact OD2-CD 3.47Å; R344-Q346 VanDerWaalsContact C-N 3.34Å; R344-Q346 HydrophobicContact CB-CB 4.39Å; R344-Q346 HydrophobicContact CB-CG 4.08Å; R344-H406 VanDerWaalsContact CZ-CD2 3.49Å; R344-H406 VanDerWaalsContact CZ-ND1 3.28Å; R344-H406 PolarHBondContact NE-CE1 3.31Å; R344-H406 VanDerWaalsContact NE-CE1 3.32Å; R344-H406 PolarHBondContact NE-ND1 3.3Å; R344-H406 PolarHBondContact NH2-CD2 2.76Å; R344-H406 PolarHBondContact NH2-CE1 3.35Å; R344-H406 PolarHBondContact NH2-ND1 3.01Å; R344-H406 PolarHBondContact NH2-NE2 2.75Å; R344-Q441 VanDerWaalsContact NH1-CG 3.27Å
345R96.6Very high95.9Very high63 Ų6329.3 Ų29.324%0.23814%0.137CC..THydrogen-bonded Turntrans53.452.3-173.2-53.7-173.167.7-136.63.2111.1D286 D341 I373 T374D286-R345 IonicContact OD2-CZ 2.94Å; D286-R345 IonicContact OD2-NE 2.69Å; D286-R345 PolarHBondContact OD2-NE 2.95Å; D286-R345 IonicContact OD2-NH2 3.63Å; D286-R345 PolarHBondContact OD2-NH2 3Å; D286-R345 VanDerWaalsContact OD2-NH2 3.12Å; D341-R345 VanDerWaalsContact O-CA 3.26Å; D341-R345 WeakPolarHBondContact O-CA 3.34Å; D341-R345 PolarHBondContact O-N 3.27Å; R345-I373 HydrophobicContact CB-CB 4.11Å; R345-I373 HydrophobicContact CB-CD1 4.15Å; R345-I373 WeakPolarHBondContact O-CB 3.35Å; R345-I373 VanDerWaalsContact O-CG1 3.26Å; R345-I373 WeakPolarHBondContact O-CG1 3.41Å; R345-I373 PolarHBondContact O-N 2.76Å; R345-T374 PolarHBondContact NH1-OG1 2.9Å
346Q98.3Very high95.2Very high21 Ų2130.9 Ų30.910%0.09815%0.149CC..EExtended strand (participates in β ladder)trans-125.4135.3-178.7-72.7175.6-16.400110.6I340 D341 R344 Y348 R370 Y371 D372I340-Q346 CarbonylContact C-O 3.41Å; I340-Q346 WeakPolarHBondContact CA-O 3.22Å; D341-Q346 HydrophobicContact CB-CB 4.46Å; D341-Q346 PolarHBondContact N-O 3.22Å; D341-Q346 PolarHBondContact O-N 2.9Å; D341-Q346 VanDerWaalsContact O-N 3.15Å; R344-Q346 VanDerWaalsContact C-N 3.34Å; R344-Q346 HydrophobicContact CB-CB 4.39Å; R344-Q346 HydrophobicContact CB-CG 4.08Å; Q346-Y348 HydrophobicContact CB-CE2 3.85Å; Q346-Y348 PolarHBondContact OE1-OH 2.8Å; Q346-R370 HydrophobicContact CB-CG 4.14Å; Q346-R370 HydrophobicContact CG-CG 4.43Å; Q346-Y371 CarbonylContact C-O 3.57Å; Q346-Y371 WeakPolarHBondContact CA-O 3.03Å; Q346-D372 PolarHBondContact NE2-OD2 3.25Å
347I98.8Very high94.2Very high0 Ų034.9 Ų34.90%018%0.177CC..EExtended strand (participates in β ladder)trans-110132.6180-59.8170.6000108.5V284 Y293 F307 M338 C339 I340 R370 Y371 I373V284-I347 HydrophobicContact CG2-CD1 3.83Å; V284-I347 HydrophobicContact CG2-CG1 4.02Å; V284-I347 HydrophobicContact CG2-CG2 4.12Å; Y293-I347 HydrophobicContact CD1-CD1 3.97Å; Y293-I347 HydrophobicContact CD2-CD1 3.74Å; Y293-I347 HydrophobicContact CE1-CD1 4.49Å; Y293-I347 HydrophobicContact CE2-CD1 4.29Å; Y293-I347 HydrophobicContact CG-CD1 3.56Å; F307-I347 HydrophobicContact CZ-CD1 4.1Å; M338-I347 HydrophobicContact CB-CG2 4.41Å; M338-I347 HydrophobicContact CE-CG2 3.3Å; M338-I347 HydrophobicContact CG-CG2 4.49Å; C339-I347 WeakPolarHBondContact O-CA 3.41Å; I340-I347 HydrophobicContact CB-CG1 4.33Å; I340-I347 HydrophobicContact CD1-CG1 4.11Å; I340-I347 HydrophobicContact CG1-CG1 4.04Å; I347-R370 CarbonylContact O-C 3.45Å; I347-R370 VanDerWaalsContact O-CA 3.24Å; I347-R370 WeakPolarHBondContact O-CA 3.37Å; I347-Y371 HydrophobicContact CD1-CD1 4.28Å; I347-Y371 PolarHBondContact N-O 2.69Å; I347-Y371 PolarHBondContact O-N 2.87Å; I347-I373 HydrophobicContact CD1-CD1 3.94Å; I347-I373 HydrophobicContact CD1-CG1 4.02Å; I347-I373 HydrophobicContact CG1-CD1 3.96Å; I347-I373 HydrophobicContact CG1-CG1 4.19Å
348Y98.8Very high93.2Very high3 Ų338.8 Ų38.81%0.01220%0.201CC..EExtended strand (participates in β ladder)trans-113.4137.9-179.4-64.5-97.7000110M338 C339 D341 Q346 F368 Y369 R370 L381 I408M338-Y348 WeakPolarHBondContact CA-O 3.49Å; C339-Y348 PolarHBondContact N-O 3.07Å; C339-Y348 VanDerWaalsContact N-O 3.14Å; C339-Y348 PolarHBondContact O-N 2.77Å; D341-Y348 HydrophobicContact CB-CE2 4.18Å; Q346-Y348 HydrophobicContact CB-CE2 3.85Å; Q346-Y348 PolarHBondContact OE1-OH 2.8Å; Y348-F368 HydrophobicContact CD1-CE1 4.25Å; Y348-F368 HydrophobicContact CD1-CE2 4.23Å; Y348-F368 AromaticContact CD1-CZ 3.59Å; Y348-F368 HydrophobicContact CD1-CZ 3.59Å; Y348-F368 HydrophobicContact CG-CZ 4.23Å; Y348-Y369 WeakPolarHBondContact CA-O 3.41Å; Y348-R370 HydrophobicContact CD1-CB 4.01Å; Y348-R370 HydrophobicContact CD1-CG 4.11Å; Y348-R370 HydrophobicContact CE1-CB 3.98Å; Y348-R370 HydrophobicContact CE1-CG 3.78Å; Y348-R370 HydrophobicContact CE2-CG 4.4Å; Y348-L381 HydrophobicContact CD1-CD1 3.82Å; Y348-L381 HydrophobicContact CE1-CD1 3.73Å; Y348-I408 HydrophobicContact CD1-CD1 3.62Å; Y348-I408 HydrophobicContact CD2-CD1 3.75Å; Y348-I408 HydrophobicContact CE1-CD1 4.11Å; Y348-I408 HydrophobicContact CE2-CD1 4.26Å; Y348-I408 HydrophobicContact CG-CD1 3.41Å; Y348-I408 VanDerWaalsContact CG-CD1 3.41Å
349T98.7Very high92.4Very high0 Ų039.7 Ų39.70%020%0.204CC..EExtended strand (participates in β ladder)trans-130.1126-174.8-57.60000110.6F295 P330 K337 M338 F368 Y369F295-T349 HydrophobicContact CD1-CG2 4.15Å; F295-T349 HydrophobicContact CE1-CG2 4.08Å; P330-T349 HydrophobicContact CG-CG2 4.25Å; K337-T349 WeakPolarHBondContact O-CA 3.49Å; M338-T349 HydrophobicContact CG-CG2 4.33Å; T349-F368 VanDerWaalsContact O-CD2 3.31Å; T349-F368 WeakPolarHBondContact O-CD2 3.33Å; T349-Y369 PolarHBondContact N-O 3.32Å; T349-Y369 PolarHBondContact O-N 2.86Å; T349-Y369 VanDerWaalsContact O-N 3.13Å
350L98.5Very high90.9Very high0 Ų045.4 Ų45.40%023%0.234CC..EExtended strand (participates in β ladder)trans-137147.7-179.3-175.764000112.3H336 K337 F368 T385 P391 H397 M399 T410 W445H336-L350 WeakPolarHBondContact CB-O 3.46Å; K337-L350 PolarHBondContact N-O 3.13Å; K337-L350 PolarHBondContact O-N 3.24Å; K337-L350 VanDerWaalsContact O-N 3.09Å; L350-F368 HydrophobicContact CB-CD2 3.9Å; L350-F368 HydrophobicContact CB-CE2 4.24Å; L350-F368 HydrophobicContact CD1-CB 4.04Å; L350-F368 HydrophobicContact CD1-CD2 3.94Å; L350-F368 HydrophobicContact CD1-CG 4.29Å; L350-F368 HydrophobicContact CG-CD2 4.41Å; L350-T385 HydrophobicContact CD1-CG2 4.06Å; L350-P391 HydrophobicContact CD2-CG 3.96Å; L350-H397 PolarHBondContact O-CE1 3.22Å; L350-M399 HydrophobicContact CB-CE 4.04Å; L350-M399 HydrophobicContact CB-SD 3.52Å; L350-M399 VanDerWaalsContact CB-SD 3.52Å; L350-M399 HydrophobicContact CD2-CE 4.48Å; L350-M399 HydrophobicContact CD2-SD 4.25Å; L350-M399 HydrophobicContact CG-SD 4.5Å; L350-T410 HydrophobicContact CD2-CG2 4.04Å; L350-W445 HydrophobicContact CD2-CH2 4.08Å
351G97.2Very high89.1Confident0 Ų049.1 Ų49.10%026%0.262CS..  trans77.2175.9170.700000114.1R333 H336 V394R333-G351 PolarHBondContact NH1-O 3.31Å; H336-G351 WeakPolarHBondContact CB-O 3.47Å; G351-V394 VanDerWaalsContact CA-O 3.23Å; G351-V394 WeakPolarHBondContact CA-O 3.43Å
352R95.6Very high87Confident49 Ų4958.3 Ų58.319%0.18530%0.302CS..  trans-177.9151.7176.650.4175.5173.6-169.4-5110.2S331 R333 S334 L393 V394 L416S331-R352 PolarHBondContact OG-NH1 3.36Å; S331-R352 VanDerWaalsContact OG-NH1 3.14Å; R333-R352 HydrophobicContact CB-CB 3.75Å; S334-R352 WeakPolarHBondContact O-CA 3.05Å; R352-L393 HydrophobicContact CG-CD1 3.74Å; R352-L393 HydrophobicContact CG-CD2 4.48Å; R352-V394 PolarHBondContact N-O 2.94Å; R352-V394 VanDerWaalsContact N-O 3.1Å; R352-L416 WeakPolarHBondContact O-CD1 3.25Å
353Y93.3Very high85.6Confident79 Ų7960.4 Ų60.431%0.3132%0.316SS..  trans-83.1146.8164.3178.8-103.6000110.9S334 F395S334-Y353 PolarHBondContact O-N 3.04Å; Y353-F395 HydrophobicContact CD2-CD1 4.01Å; Y353-F395 AromaticContact CD2-CD2 3.78Å; Y353-F395 HydrophobicContact CD2-CD2 3.78Å; Y353-F395 AromaticContact CD2-CE1 3.98Å; Y353-F395 HydrophobicContact CD2-CE1 3.98Å; Y353-F395 AromaticContact CD2-CE2 3.75Å; Y353-F395 HydrophobicContact CD2-CE2 3.75Å; Y353-F395 AromaticContact CD2-CG 3.89Å; Y353-F395 HydrophobicContact CD2-CG 3.89Å; Y353-F395 AromaticContact CD2-CZ 3.83Å; Y353-F395 HydrophobicContact CD2-CZ 3.83Å; Y353-F395 HydrophobicContact CE2-CE1 4.39Å; Y353-F395 HydrophobicContact CE2-CE2 4.19Å; Y353-F395 HydrophobicContact CE2-CZ 4.03Å
354L89.8Confident84.9Confident33 Ų3356.3 Ų56.317%0.17330%0.298CS..  trans-135.8131.3171.4-67.7173.5000109.4V358 R359 L364 L393 L416L354-V358 HydrophobicContact CB-CG2 4.39Å; L354-R359 PolarHBondContact O-NE 3.36Å; L354-R359 PolarHBondContact O-NH2 3.32Å; L354-L364 HydrophobicContact CD1-CD2 3.77Å; L354-L393 HydrophobicContact CD1-CD2 4.08Å; L354-L416 HydrophobicContact CB-CD1 4.06Å; L354-L416 HydrophobicContact CD1-CD1 4.38Å; L354-L416 HydrophobicContact CG-CD1 4.24Å
355D83.2Confident84.6Confident72 Ų7257.4 Ų57.439%0.38531%0.305SS..  trans-64.4148.5176.2-171.8-92.7000111.6S357 V358 R359D355-S357 PolarHBondContact O-N 3.48Å; D355-S357 VanDerWaalsContact O-N 3.15Å; D355-S357 WeakPolarHBondContact OD1-CB 3.12Å; D355-S357 PolarHBondContact OD1-N 3.48Å; D355-S357 PolarHBondContact OD1-OG 2.87Å; D355-V358 HydrophobicContact CB-CG2 4.22Å; D355-V358 WeakPolarHBondContact O-CG2 3.45Å; D355-V358 PolarHBondContact O-N 3.21Å; D355-V358 VanDerWaalsContact O-N 3.13Å; D355-R359 WeakPolarHBondContact O-CG 3.24Å
356S79.3Confident84.5Confident64 Ų6454.4 Ų54.445%0.44829%0.293SS..G310 helixtrans-53.8-33.4178.562.70000113.9V358 R359 N419S356-V358 PolarHBondContact O-N 3.08Å; S356-R359 PolarHBondContact O-N 3.36Å; S356-N419 PolarHBondContact O-ND2 3.06Å
357S77.3Confident84.4Confident83 Ų8354.1 Ų54.158%0.5829%0.293SS*.G310 helixtrans-66.4-22.6-17956.80000114.2D355D355-S357 PolarHBondContact O-N 3.48Å; D355-S357 VanDerWaalsContact O-N 3.15Å; D355-S357 WeakPolarHBondContact OD1-CB 3.12Å; D355-S357 PolarHBondContact OD1-N 3.48Å; D355-S357 PolarHBondContact OD1-OG 2.87Å
358V77.6Confident84.4Confident91 Ų9154.1 Ų54.155%0.55229%0.293SS*.G310 helixtrans-106.74-177.5-67.50000113.4L354 D355 S356 N360L354-V358 HydrophobicContact CB-CG2 4.39Å; D355-V358 HydrophobicContact CB-CG2 4.22Å; D355-V358 WeakPolarHBondContact O-CG2 3.45Å; D355-V358 PolarHBondContact O-N 3.21Å; D355-V358 VanDerWaalsContact O-N 3.13Å; S356-V358 PolarHBondContact O-N 3.08Å; V358-N360 VanDerWaalsContact C-N 3.25Å; V358-N360 PolarHBondContact O-N 2.97Å
359R79.9Confident84.4Confident31 Ų3155.4 Ų55.412%0.11730%0.298CS..  trans-8361.8177.5-61.8178.2-160.2178.83.9112.1L354 D355 S356 L416 T417L354-R359 PolarHBondContact O-NE 3.36Å; L354-R359 PolarHBondContact O-NH2 3.32Å; D355-R359 WeakPolarHBondContact O-CG 3.24Å; S356-R359 PolarHBondContact O-N 3.36Å; R359-L416 VanDerWaalsContact CZ-CD2 3.43Å; R359-L416 VanDerWaalsContact NH2-CD2 3.31Å; R359-T417 WeakPolarHBondContact CD-O 3.46Å
360N67.3Low84.4Confident129 Ų12958.3 Ų58.369%0.6931%0.309SS*.  trans-88.7135.5179-65.5-20.4000110.8V358 K362V358-N360 VanDerWaalsContact C-N 3.25Å; V358-N360 PolarHBondContact O-N 2.97Å; N360-K362 PolarHBondContact O-N 3.49Å
361S59.9Low84.4Confident102 Ų10258.4 Ų58.471%0.71331%0.309SS*.SBendtrans-62.5101.3-169-176.10000113.6
362K55.2Low84.5Confident194 Ų19459.9 Ų59.984%0.84332%0.317SS*.SBendtrans-161.5103.3144.9-94.7176.2-172.4-179.10105.3N360N360-K362 PolarHBondContact O-N 3.49Å
363S62.1Low84.6Confident74 Ų7458.3 Ų58.352%0.51731%0.312SS..  trans23.1111.2-179.5-1690000117.3K365S363-K365 PolarHBondContact O-N 3.5Å; S363-K365 WeakPolarHBondContact OG-CG 3.33Å
364L80.8Confident84.7Confident33 Ų3359.3 Ų59.317%0.17333%0.326CS..  trans-68.770.3164.5-70.1169.9000109.7L354 L393 L416 T417L354-L364 HydrophobicContact CD1-CD2 3.77Å; L364-L393 HydrophobicContact CB-CD2 4.03Å; L364-L393 HydrophobicContact CD2-CD2 4.32Å; L364-L393 WeakPolarHBondContact O-CB 3.49Å; L364-L416 HydrophobicContact CD1-CB 3.98Å; L364-T417 VanDerWaalsContact CD1-C 3.42Å
365K89.4Confident85.1Confident84 Ų8460.6 Ų60.637%0.36534%0.342SS..  trans-63.2139.5-178.5-70.1-170.9172.9-174.60110.7S363 E383 D384S363-K365 PolarHBondContact O-N 3.5Å; S363-K365 WeakPolarHBondContact OG-CG 3.33Å; K365-E383 WeakPolarHBondContact CB-O 3.37Å; K365-E383 IonicContact NZ-OE2 3.05Å; K365-E383 PolarHBondContact NZ-OE2 3.34Å; K365-D384 HydrophobicContact CB-CB 4.16Å; K365-D384 HydrophobicContact CD-CB 4.28Å; K365-D384 HydrophobicContact CG-CB 4.06Å
366S94Very high85.7Confident0 Ų061.4 Ų61.40%035%0.346CS..  trans-95.389.9174.8-171.50000109.5D384 T385S366-D384 PolarHBondContact N-OD1 2.78Å; S366-D384 CarbonylContact O-C 3.56Å; S366-D384 WeakPolarHBondContact O-CA 3.28Å; S366-T385 WeakPolarHBondContact CB-OG1 3.39Å; S366-T385 PolarHBondContact O-N 2.83Å; S366-T385 PolarHBondContact O-OG1 2.79Å; S366-T385 PolarHBondContact OG-OG1 2.97Å
367D96.6Very high86.6Confident15 Ų1561.7 Ų61.78%0.0835%0.346CS..  trans-74.2144.6178.757.12.2000111.4R333 Y369 L380 S382R333-D367 IonicContact CZ-OD1 3.29Å; R333-D367 IonicContact CZ-OD2 3.47Å; R333-D367 IonicContact NH1-OD1 3.62Å; R333-D367 PolarHBondContact NH1-OD1 2.94Å; R333-D367 IonicContact NH1-OD2 2.76Å; R333-D367 IonicContact NH2-OD1 3.64Å; R333-D367 PolarHBondContact NH2-OD1 3.32Å; R333-D367 IonicContact NH2-OD2 2.67Å; R333-D367 PolarHBondContact NH2-OD2 3.33Å; D367-Y369 HydrophobicContact CB-CD2 4.37Å; D367-Y369 HydrophobicContact CB-CE2 3.69Å; D367-Y369 WeakPolarHBondContact OD2-CE2 3.5Å; D367-L380 HydrophobicContact CB-CD1 4.45Å; D367-S382 WeakPolarHBondContact CA-O 3.41Å
368F98.5Very high87.6Confident0 Ų058.4 Ų58.40%032%0.32CS..EExtended strand (participates in β ladder)trans-134.3125-179.3-177-134.5000111Y348 T349 L350 L381 S382 T385 M399 I408 F438 W445Y348-F368 HydrophobicContact CD1-CE1 4.25Å; Y348-F368 HydrophobicContact CD1-CE2 4.23Å; Y348-F368 AromaticContact CD1-CZ 3.59Å; Y348-F368 HydrophobicContact CD1-CZ 3.59Å; Y348-F368 HydrophobicContact CG-CZ 4.23Å; T349-F368 VanDerWaalsContact O-CD2 3.31Å; T349-F368 WeakPolarHBondContact O-CD2 3.33Å; L350-F368 HydrophobicContact CB-CD2 3.9Å; L350-F368 HydrophobicContact CB-CE2 4.24Å; L350-F368 HydrophobicContact CD1-CB 4.04Å; L350-F368 HydrophobicContact CD1-CD2 3.94Å; L350-F368 HydrophobicContact CD1-CG 4.29Å; L350-F368 HydrophobicContact CG-CD2 4.41Å; F368-L381 HydrophobicContact CD1-CB 3.84Å; F368-L381 HydrophobicContact CD1-CD1 3.77Å; F368-L381 HydrophobicContact CD1-CG 4.42Å; F368-L381 HydrophobicContact CE1-CB 4.41Å; F368-L381 HydrophobicContact CE1-CD1 3.51Å; F368-L381 HydrophobicContact CZ-CD1 4.15Å; F368-L381 WeakPolarHBondContact O-CB 3.41Å; F368-L381 PolarHBondContact O-N 3.14Å; F368-S382 PolarHBondContact N-O 3.38Å; F368-S382 PolarHBondContact O-N 3.22Å; F368-T385 HydrophobicContact CB-CG2 3.52Å; F368-T385 HydrophobicContact CG-CG2 4.22Å; F368-M399 HydrophobicContact CE2-CE 4.08Å; F368-I408 HydrophobicContact CZ-CD1 3.97Å; F368-F438 HydrophobicContact CD1-CZ 4.41Å; F368-F438 AromaticContact CE1-CD1 3.86Å; F368-F438 HydrophobicContact CE1-CD1 3.86Å; F368-F438 HydrophobicContact CE1-CD2 4.41Å; F368-F438 AromaticContact CE1-CE1 3.59Å; F368-F438 HydrophobicContact CE1-CE1 3.59Å; F368-F438 HydrophobicContact CE1-CE2 4.18Å; F368-F438 HydrophobicContact CE1-CG 4.25Å; F368-F438 AromaticContact CE1-CZ 3.75Å; F368-F438 HydrophobicContact CE1-CZ 3.75Å; F368-F438 HydrophobicContact CZ-CD1 4.23Å; F368-F438 HydrophobicContact CZ-CE1 4.26Å; F368-W445 AromaticContact CD1-CZ2 3.99Å; F368-W445 HydrophobicContact CD1-CZ2 3.99Å; F368-W445 AromaticContact CE1-CZ2 3.98Å; F368-W445 HydrophobicContact CE1-CZ2 3.98Å; F368-W445 HydrophobicContact CG-CZ2 4.39Å; F368-W445 HydrophobicContact CZ-CZ2 4.38Å
369Y98.7Very high88.6Confident30 Ų3056.4 Ų56.412%0.11831%0.309CS..EExtended strand (participates in β ladder)trans-123.3154.6-172.5-70.2-96000112N328 G329 P330 Y348 T349 D367 T379 L380N328-Y369 WeakPolarHBondContact O-CE1 3.3Å; G329-Y369 WeakPolarHBondContact O-CE1 3.27Å; P330-Y369 HydrophobicContact CB-CD2 3.83Å; P330-Y369 HydrophobicContact CB-CE2 3.96Å; P330-Y369 HydrophobicContact CB-CG 4.25Å; P330-Y369 HydrophobicContact CG-CD1 4.3Å; P330-Y369 HydrophobicContact CG-CD2 3.82Å; P330-Y369 HydrophobicContact CG-CE2 4.37Å; P330-Y369 HydrophobicContact CG-CG 3.76Å; Y348-Y369 WeakPolarHBondContact CA-O 3.41Å; T349-Y369 PolarHBondContact N-O 3.32Å; T349-Y369 PolarHBondContact O-N 2.86Å; T349-Y369 VanDerWaalsContact O-N 3.13Å; D367-Y369 HydrophobicContact CB-CD2 4.37Å; D367-Y369 HydrophobicContact CB-CE2 3.69Å; D367-Y369 WeakPolarHBondContact OD2-CE2 3.5Å; Y369-T379 WeakPolarHBondContact CA-O 3.44Å; Y369-L380 HydrophobicContact CD1-CB 4.13Å; Y369-L380 HydrophobicContact CD1-CD1 4.1Å; Y369-L380 HydrophobicContact CD2-CD1 4.24Å; Y369-L380 HydrophobicContact CE1-CB 3.86Å; Y369-L380 HydrophobicContact CE1-CD1 3.69Å; Y369-L380 HydrophobicContact CE1-CG 4.33Å; Y369-L380 HydrophobicContact CE2-CD1 3.84Å; Y369-L380 HydrophobicContact CG-CD1 4.36Å
370R98.6Very high89.5Confident61 Ų6158.5 Ų58.523%0.2332%0.321CS..EExtended strand (participates in β ladder)trans-126.3134.5168.3-178.6-165.269.5-164.5-4.5110.1Q346 I347 Y348 W378 T379 L381Q346-R370 HydrophobicContact CB-CG 4.14Å; Q346-R370 HydrophobicContact CG-CG 4.43Å; I347-R370 CarbonylContact O-C 3.45Å; I347-R370 VanDerWaalsContact O-CA 3.24Å; I347-R370 WeakPolarHBondContact O-CA 3.37Å; Y348-R370 HydrophobicContact CD1-CB 4.01Å; Y348-R370 HydrophobicContact CD1-CG 4.11Å; Y348-R370 HydrophobicContact CE1-CB 3.98Å; Y348-R370 HydrophobicContact CE1-CG 3.78Å; Y348-R370 HydrophobicContact CE2-CG 4.4Å; R370-W378 CarbonylContact O-C 3.57Å; R370-W378 WeakPolarHBondContact O-CA 3.24Å; R370-T379 PolarHBondContact N-O 2.97Å; R370-T379 PolarHBondContact NH2-OG1 2.95Å; R370-T379 PolarHBondContact O-N 3.17Å; R370-L381 HydrophobicContact CB-CD1 3.78Å; R370-L381 HydrophobicContact CB-CD2 4.2Å; R370-L381 HydrophobicContact CB-CG 3.97Å
371Y98.8Very high91Very high3 Ų355.2 Ų55.21%0.01230%0.304CS..EExtended strand (participates in β ladder)trans-102.1127.4165.8-175.1-107.2000109.8F307 I320 Q346 I347 I373 N376 W378F307-Y371 HydrophobicContact CD1-CE2 4.45Å; F307-Y371 AromaticContact CE1-CD1 3.77Å; F307-Y371 HydrophobicContact CE1-CD1 3.77Å; F307-Y371 HydrophobicContact CE1-CD2 4.19Å; F307-Y371 AromaticContact CE1-CE1 3.58Å; F307-Y371 HydrophobicContact CE1-CE1 3.58Å; F307-Y371 HydrophobicContact CE1-CE2 4.01Å; F307-Y371 HydrophobicContact CE1-CG 4.06Å; F307-Y371 AromaticContact CE1-CZ 3.69Å; F307-Y371 HydrophobicContact CZ-CD1 4.06Å; F307-Y371 HydrophobicContact CZ-CE1 4.19Å; F307-Y371 HydrophobicContact CZ-CG 4.46Å; I320-Y371 VanDerWaalsContact CG2-OH 3.26Å; I320-Y371 WeakPolarHBondContact CG2-OH 3.45Å; Q346-Y371 CarbonylContact C-O 3.57Å; Q346-Y371 WeakPolarHBondContact CA-O 3.03Å; I347-Y371 HydrophobicContact CD1-CD1 4.28Å; I347-Y371 PolarHBondContact N-O 2.69Å; I347-Y371 PolarHBondContact O-N 2.87Å; Y371-I373 HydrophobicContact CD1-CG1 4.05Å; Y371-I373 HydrophobicContact CE1-CG1 4.19Å; Y371-N376 WeakPolarHBondContact OH-CA 3.35Å; Y371-N376 PolarHBondContact OH-OD1 3.16Å; Y371-W378 AromaticContact CD2-CD1 3.73Å; Y371-W378 AromaticContact CD2-CD2 3.61Å; Y371-W378 HydrophobicContact CD2-CD2 3.61Å; Y371-W378 AromaticContact CD2-CE2 3.44Å; Y371-W378 VanDerWaalsContact CD2-CE2 3.44Å; Y371-W378 HydrophobicContact CD2-CE3 4.25Å; Y371-W378 AromaticContact CD2-CG 3.79Å; Y371-W378 HydrophobicContact CD2-CG 3.79Å; Y371-W378 AromaticContact CD2-CZ2 3.96Å; Y371-W378 HydrophobicContact CD2-CZ2 3.96Å; Y371-W378 AromaticContact CD2-NE1 3.5Å; Y371-W378 AromaticContact CE2-NE1 3.83Å; Y371-W378 HydrophobicContact CG-CD2 4.2Å; Y371-W378 HydrophobicContact CG-CE3 4.43Å; Y371-W378 HydrophobicContact CG-CH2 4.37Å; Y371-W378 HydrophobicContact CG-CZ2 4.11Å
372D98.3Very high92.8Very high30 Ų3050.7 Ų50.716%0.1627%0.272CS..EExtended strand (participates in β ladder)trans-92.3114.6170.7-167.5-63.2000109.2Q346 T374 A375 N376 T377Q346-D372 PolarHBondContact NE2-OD2 3.25Å; D372-T374 VanDerWaalsContact C-N 3.29Å; D372-T374 PolarHBondContact O-N 2.82Å; D372-T374 PolarHBondContact OD1-N 3.06Å; D372-A375 HydrophobicContact CB-CB 4.06Å; D372-A375 PolarHBondContact OD1-N 2.92Å; D372-N376 WeakPolarHBondContact O-CA 3.37Å; D372-N376 PolarHBondContact O-N 2.97Å; D372-T377 PolarHBondContact N-O 3.21Å; D372-T377 PolarHBondContact O-N 3.46Å
373I98.1Very high94.7Very high16 Ų1647.2 Ų47.28%0.08226%0.259CS..THydrogen-bonded Turntrans-66.6-35.4-175.8-64.6171.3000111Y293 I340 R345 I347 Y371Y293-I373 HydrophobicContact CD2-CD1 4.5Å; Y293-I373 HydrophobicContact CE2-CD1 3.78Å; Y293-I373 HydrophobicContact CE2-CG1 4.41Å; Y293-I373 WeakPolarHBondContact OH-CG2 3.43Å; I340-I373 HydrophobicContact CD1-CD1 3.77Å; R345-I373 HydrophobicContact CB-CB 4.11Å; R345-I373 HydrophobicContact CB-CD1 4.15Å; R345-I373 WeakPolarHBondContact O-CB 3.35Å; R345-I373 VanDerWaalsContact O-CG1 3.26Å; R345-I373 WeakPolarHBondContact O-CG1 3.41Å; R345-I373 PolarHBondContact O-N 2.76Å; I347-I373 HydrophobicContact CD1-CD1 3.94Å; I347-I373 HydrophobicContact CD1-CG1 4.02Å; I347-I373 HydrophobicContact CG1-CD1 3.96Å; I347-I373 HydrophobicContact CG1-CG1 4.19Å; Y371-I373 HydrophobicContact CD1-CG1 4.05Å; Y371-I373 HydrophobicContact CE1-CG1 4.19Å
374T96.6Very high96.3Very high100 Ų10044.9 Ų44.961%0.61324%0.24SC*.THydrogen-bonded Turntrans-77.1-42-175.4-55.10000110.8R345 D372 N376R345-T374 PolarHBondContact NH1-OG1 2.9Å; D372-T374 VanDerWaalsContact C-N 3.29Å; D372-T374 PolarHBondContact O-N 2.82Å; D372-T374 PolarHBondContact OD1-N 3.06Å; T374-N376 VanDerWaalsContact C-N 3.34Å
375A96.9Very high97.1Very high61 Ų6143.3 Ų43.350%0.50423%0.232SC..THydrogen-bonded Turntrans-79.8-16.8176.900000113.3D372D372-A375 HydrophobicContact CB-CB 4.06Å; D372-A375 PolarHBondContact OD1-N 2.92Å
376N96.8Very high97.3Very high88 Ų8841.7 Ų41.747%0.47123%0.231SC..THydrogen-bonded Turntrans5845.9-176-164.186.6000112.2Y371 D372 T374Y371-N376 WeakPolarHBondContact OH-CA 3.35Å; Y371-N376 PolarHBondContact OH-OD1 3.16Å; D372-N376 WeakPolarHBondContact O-CA 3.37Å; D372-N376 PolarHBondContact O-N 2.97Å; T374-N376 VanDerWaalsContact C-N 3.34Å
377T97.9Very high97.3Very high71 Ų7145.4 Ų45.444%0.43626%0.262SS..EExtended strand (participates in β ladder)trans-139.5141.9-175.455.50000112.5D372D372-T377 PolarHBondContact N-O 3.21Å; D372-T377 PolarHBondContact O-N 3.46Å
378W98.6Very high97.3Very high14 Ų1448.9 Ų48.95%0.05328%0.281CS..EExtended strand (participates in β ladder)trans-84.1149.6168-70.198.4000112.1F307 T324 G329 P330 R370 Y371F307-W378 AromaticContact CD1-CZ2 3.95Å; F307-W378 HydrophobicContact CD1-CZ2 3.95Å; F307-W378 HydrophobicContact CD2-CZ2 4.36Å; F307-W378 HydrophobicContact CE1-CZ2 4.04Å; F307-W378 HydrophobicContact CE2-CZ2 4.44Å; F307-W378 HydrophobicContact CG-CZ2 4.13Å; F307-W378 HydrophobicContact CZ-CZ2 4.29Å; T324-W378 HydrophobicContact CG2-CZ2 4.19Å; G329-W378 VanDerWaalsContact CA-CB 3.48Å; G329-W378 VanDerWaalsContact CA-CG 3.45Å; P330-W378 HydrophobicContact CG-CE3 4.09Å; P330-W378 HydrophobicContact CG-CH2 4.18Å; P330-W378 HydrophobicContact CG-CZ3 3.83Å; R370-W378 CarbonylContact O-C 3.57Å; R370-W378 WeakPolarHBondContact O-CA 3.24Å; Y371-W378 AromaticContact CD2-CD1 3.73Å; Y371-W378 AromaticContact CD2-CD2 3.61Å; Y371-W378 HydrophobicContact CD2-CD2 3.61Å; Y371-W378 AromaticContact CD2-CE2 3.44Å; Y371-W378 VanDerWaalsContact CD2-CE2 3.44Å; Y371-W378 HydrophobicContact CD2-CE3 4.25Å; Y371-W378 AromaticContact CD2-CG 3.79Å; Y371-W378 HydrophobicContact CD2-CG 3.79Å; Y371-W378 AromaticContact CD2-CZ2 3.96Å; Y371-W378 HydrophobicContact CD2-CZ2 3.96Å; Y371-W378 AromaticContact CD2-NE1 3.5Å; Y371-W378 AromaticContact CE2-NE1 3.83Å; Y371-W378 HydrophobicContact CG-CD2 4.2Å; Y371-W378 HydrophobicContact CG-CE3 4.43Å; Y371-W378 HydrophobicContact CG-CH2 4.37Å; Y371-W378 HydrophobicContact CG-CZ2 4.11Å
379T98.3Very high97.2Very high49 Ų4951.1 Ų51.130%0.30130%0.304SS..EExtended strand (participates in β ladder)trans-136.5127172.5-51.50000108.8Y369 R370 L381Y369-T379 WeakPolarHBondContact CA-O 3.44Å; R370-T379 PolarHBondContact N-O 2.97Å; R370-T379 PolarHBondContact NH2-OG1 2.95Å; R370-T379 PolarHBondContact O-N 3.17Å; T379-L381 HydrophobicContact CG2-CD2 4.35Å; T379-L381 PolarHBondContact O-N 3.38Å
380L98.2Very high97.1Very high74 Ų7449.9 Ų49.939%0.38730%0.3SS..EExtended strand (participates in β ladder)trans-74.5118.1167.6178.264.3000108.9D367 Y369 S382 E383D367-L380 HydrophobicContact CB-CD1 4.45Å; Y369-L380 HydrophobicContact CD1-CB 4.13Å; Y369-L380 HydrophobicContact CD1-CD1 4.1Å; Y369-L380 HydrophobicContact CD2-CD1 4.24Å; Y369-L380 HydrophobicContact CE1-CB 3.86Å; Y369-L380 HydrophobicContact CE1-CD1 3.69Å; Y369-L380 HydrophobicContact CE1-CG 4.33Å; Y369-L380 HydrophobicContact CE2-CD1 3.84Å; Y369-L380 HydrophobicContact CG-CD1 4.36Å; L380-S382 VanDerWaalsContact CD1-O 3.31Å; L380-S382 WeakPolarHBondContact CD1-O 3.12Å; L380-E383 HydrophobicContact CD2-CG 3.88Å
381L98.1Very high97Very high60 Ų6047 Ų4731%0.31429%0.289SS..EExtended strand (participates in β ladder)trans-89.3-34.9178.7-63.6-177.5000112.3Y348 F368 R370 T379 F438Y348-L381 HydrophobicContact CD1-CD1 3.82Å; Y348-L381 HydrophobicContact CE1-CD1 3.73Å; F368-L381 HydrophobicContact CD1-CB 3.84Å; F368-L381 HydrophobicContact CD1-CD1 3.77Å; F368-L381 HydrophobicContact CD1-CG 4.42Å; F368-L381 HydrophobicContact CE1-CB 4.41Å; F368-L381 HydrophobicContact CE1-CD1 3.51Å; F368-L381 HydrophobicContact CZ-CD1 4.15Å; F368-L381 WeakPolarHBondContact O-CB 3.41Å; F368-L381 PolarHBondContact O-N 3.14Å; R370-L381 HydrophobicContact CB-CD1 3.78Å; R370-L381 HydrophobicContact CB-CD2 4.2Å; R370-L381 HydrophobicContact CB-CG 3.97Å; T379-L381 HydrophobicContact CG2-CD2 4.35Å; T379-L381 PolarHBondContact O-N 3.38Å; L381-F438 HydrophobicContact CD1-CE1 4.43Å; L381-F438 HydrophobicContact CD1-CZ 4.44Å
382S97.7Very high96.8Very high8 Ų852.1 Ų52.16%0.05631%0.312CS..EExtended strand (participates in β ladder)trans-152.3129.3-178.9145.90000109.7D367 F368 L380 D384 T385 D388D367-S382 WeakPolarHBondContact CA-O 3.41Å; F368-S382 PolarHBondContact N-O 3.38Å; F368-S382 PolarHBondContact O-N 3.22Å; L380-S382 VanDerWaalsContact CD1-O 3.31Å; L380-S382 WeakPolarHBondContact CD1-O 3.12Å; S382-D384 VanDerWaalsContact C-N 3.34Å; S382-D384 PolarHBondContact OG-N 2.88Å; S382-T385 WeakPolarHBondContact OG-CA 3.39Å; S382-T385 WeakPolarHBondContact OG-CG2 3.35Å; S382-T385 PolarHBondContact OG-N 3.25Å; S382-D388 WeakPolarHBondContact CB-OD2 3.44Å; S382-D388 PolarHBondContact OG-OD2 3.12Å; S382-D388 VanDerWaalsContact OG-OD2 3.1Å
383E95.9Very high96.7Very high121 Ų12150.9 Ų50.957%0.56531%0.305SS*.SBendtrans-68.9-32.9171-78.3-168-166.800112.6K365 L380K365-E383 WeakPolarHBondContact CB-O 3.37Å; K365-E383 IonicContact NZ-OE2 3.05Å; K365-E383 PolarHBondContact NZ-OE2 3.34Å; L380-E383 HydrophobicContact CD2-CG 3.88Å
384D95.7Very high96.6Very high24 Ų2450.1 Ų50.113%0.12830%0.301CS..  trans-15297.2-178.7-172.5-4.7000110.5K365 S366 S382 S386 A387 D388K365-D384 HydrophobicContact CB-CB 4.16Å; K365-D384 HydrophobicContact CD-CB 4.28Å; K365-D384 HydrophobicContact CG-CB 4.06Å; S366-D384 PolarHBondContact N-OD1 2.78Å; S366-D384 CarbonylContact O-C 3.56Å; S366-D384 WeakPolarHBondContact O-CA 3.28Å; S382-D384 VanDerWaalsContact C-N 3.34Å; S382-D384 PolarHBondContact OG-N 2.88Å; D384-S386 VanDerWaalsContact CG-OG 3.31Å; D384-S386 PolarHBondContact O-N 3.46Å; D384-S386 WeakPolarHBondContact OD1-CB 3.34Å; D384-S386 PolarHBondContact OD1-N 2.88Å; D384-S386 VanDerWaalsContact OD1-N 3.16Å; D384-S386 PolarHBondContact OD1-OG 3.08Å; D384-S386 PolarHBondContact OD2-OG 3.18Å; D384-A387 HydrophobicContact CB-CB 4.28Å; D384-A387 WeakPolarHBondContact O-CB 3.39Å; D384-A387 PolarHBondContact O-N 3.02Å; D384-D388 PolarHBondContact O-N 3.42Å
385T97.1Very high96.5Very high0 Ų046 Ų460%028%0.275CS..THydrogen-bonded Turntrans-59.3-24.6-176.550.90000112.3L350 S366 F368 S382 A387 D388 G389 G390 P391 W445L350-T385 HydrophobicContact CD1-CG2 4.06Å; S366-T385 WeakPolarHBondContact CB-OG1 3.39Å; S366-T385 PolarHBondContact O-N 2.83Å; S366-T385 PolarHBondContact O-OG1 2.79Å; S366-T385 PolarHBondContact OG-OG1 2.97Å; F368-T385 HydrophobicContact CB-CG2 3.52Å; F368-T385 HydrophobicContact CG-CG2 4.22Å; S382-T385 WeakPolarHBondContact OG-CA 3.39Å; S382-T385 WeakPolarHBondContact OG-CG2 3.35Å; S382-T385 PolarHBondContact OG-N 3.25Å; T385-A387 VanDerWaalsContact C-N 3.34Å; T385-D388 CarbonylContact O-C 3.5Å; T385-D388 PolarHBondContact O-N 3.45Å; T385-G389 PolarHBondContact O-N 3.12Å; T385-G390 CarbonylContact O-C 3.55Å; T385-G390 WeakPolarHBondContact O-CA 3.33Å; T385-G390 PolarHBondContact O-N 3.06Å; T385-P391 PolarHBondContact OG1-O 3.27Å; T385-W445 HydrophobicContact CG2-CZ2 3.95Å
386S94.4Very high96.4Very high50 Ų5044.7 Ų44.735%0.3526%0.259SS..THydrogen-bonded Turntrans-69.6-31.4177.473.40000113.3D384 D388 P391D384-S386 VanDerWaalsContact CG-OG 3.31Å; D384-S386 PolarHBondContact O-N 3.46Å; D384-S386 WeakPolarHBondContact OD1-CB 3.34Å; D384-S386 PolarHBondContact OD1-N 2.88Å; D384-S386 VanDerWaalsContact OD1-N 3.16Å; D384-S386 PolarHBondContact OD1-OG 3.08Å; D384-S386 PolarHBondContact OD2-OG 3.18Å; S386-D388 VanDerWaalsContact C-N 3.29Å; S386-P391 PolarHBondContact N-O 2.98Å
387A94.8Very high96.4Very high78 Ų7840.5 Ų40.565%0.64524%0.237SC*.THydrogen-bonded Turntrans-72.5-27.4173.600000111.7D384 T385 G389D384-A387 HydrophobicContact CB-CB 4.28Å; D384-A387 WeakPolarHBondContact O-CB 3.39Å; D384-A387 PolarHBondContact O-N 3.02Å; T385-A387 VanDerWaalsContact C-N 3.34Å; A387-G389 VanDerWaalsContact C-N 3.32Å; A387-G389 PolarHBondContact O-N 3.47Å
388D95.9Very high96.4Very high89 Ų8938.1 Ų38.148%0.47622%0.221SC..THydrogen-bonded Turntrans-92.114.6-178.5-60.4-21.8000113.2S382 D384 T385 S386 G390S382-D388 WeakPolarHBondContact CB-OD2 3.44Å; S382-D388 PolarHBondContact OG-OD2 3.12Å; S382-D388 VanDerWaalsContact OG-OD2 3.1Å; D384-D388 PolarHBondContact O-N 3.42Å; T385-D388 CarbonylContact O-C 3.5Å; T385-D388 PolarHBondContact O-N 3.45Å; S386-D388 VanDerWaalsContact C-N 3.29Å; D388-G390 VanDerWaalsContact C-N 3.32Å; D388-G390 PolarHBondContact O-N 3.46Å
389G95.3Very high96.3Very high46 Ų4638 Ų3847%0.47422%0.221SC..THydrogen-bonded Turntrans79.49.5179.400000115.2T385 A387T385-G389 PolarHBondContact O-N 3.12Å; A387-G389 VanDerWaalsContact C-N 3.32Å; A387-G389 PolarHBondContact O-N 3.47Å
390G96.9Very high96.3Very high5 Ų536.2 Ų36.25%0.05221%0.211CC..SBendtrans-96.2-168.3175.200000114T385 D388T385-G390 CarbonylContact O-C 3.55Å; T385-G390 WeakPolarHBondContact O-CA 3.33Å; T385-G390 PolarHBondContact O-N 3.06Å; D388-G390 VanDerWaalsContact C-N 3.32Å; D388-G390 PolarHBondContact O-N 3.46Å
391P96.7Very high96.3Very high0 Ų033.8 Ų33.80%020%0.197CC..  trans-69154.2-177.428.4-34.8000112.3L350 T385 S386 T410 Y436 W445L350-P391 HydrophobicContact CD2-CG 3.96Å; T385-P391 PolarHBondContact OG1-O 3.27Å; S386-P391 PolarHBondContact N-O 2.98Å; P391-T410 HydrophobicContact CG-CG2 4.38Å; P391-Y436 HydrophobicContact CB-CD2 4.06Å; P391-Y436 HydrophobicContact CB-CE2 4.06Å; P391-W445 HydrophobicContact CG-CH2 4.33Å; P391-W445 HydrophobicContact CG-CZ3 4.29Å
392K95.4Very high96.3Very high111 Ų11131 Ų3148%0.48318%0.183SC..  trans-71173.7166-68.9179.9-179.6174.90110.9V394 I415K392-V394 WeakPolarHBondContact O-CG1 3.46Å; K392-V394 PolarHBondContact O-N 3.39Å; K392-I415 HydrophobicContact CB-CG1 4.4Å; K392-I415 HydrophobicContact CB-CG2 3.83Å; K392-I415 HydrophobicContact CD-CD1 4.39Å; K392-I415 HydrophobicContact CD-CG2 3.91Å
393L95.3Very high96.2Very high3 Ų331.5 Ų31.52%0.01619%0.186CC..SBendtrans-63.3112.1178.9-179.964.7000110.4R352 L354 L364 L416R352-L393 HydrophobicContact CG-CD1 3.74Å; R352-L393 HydrophobicContact CG-CD2 4.48Å; L354-L393 HydrophobicContact CD1-CD2 4.08Å; L364-L393 HydrophobicContact CB-CD2 4.03Å; L364-L393 HydrophobicContact CD2-CD2 4.32Å; L364-L393 WeakPolarHBondContact O-CB 3.49Å; L393-L416 HydrophobicContact CD2-CB 4.39Å; L393-L416 HydrophobicContact CD2-CD1 3.73Å; L393-L416 HydrophobicContact CG-CD1 3.98Å; L393-L416 PolarHBondContact O-N 3.26Å
394V96.1Very high96.1Very high0 Ų031.8 Ų31.80%019%0.188CC..EExtended strand (participates in β ladder)trans-120.9156.7-175.7-74.80000112.7G351 R352 K392 H397 R414 I415G351-V394 VanDerWaalsContact CA-O 3.23Å; G351-V394 WeakPolarHBondContact CA-O 3.43Å; R352-V394 PolarHBondContact N-O 2.94Å; R352-V394 VanDerWaalsContact N-O 3.1Å; K392-V394 WeakPolarHBondContact O-CG1 3.46Å; K392-V394 PolarHBondContact O-N 3.39Å; V394-H397 HydrophobicContact CB-CB 4.43Å; V394-H397 HydrophobicContact CG2-CB 4.09Å; V394-H397 WeakPolarHBondContact CG2-ND1 3.32Å; V394-R414 WeakPolarHBondContact CA-O 3.31Å; V394-I415 HydrophobicContact CG1-CG1 3.87Å
395F95.4Very high96.1Very high14 Ų1434.9 Ų34.96%0.06120%0.2CC..EExtended strand (participates in β ladder)trans-135.2158.7168.468.7-84.4000110.7C335 Y353 H397 G413 R414 L416C335-F395 HydrophobicContact CB-CB 4.09Å; C335-F395 WeakPolarHBondContact O-CA 3.38Å; Y353-F395 HydrophobicContact CD2-CD1 4.01Å; Y353-F395 AromaticContact CD2-CD2 3.78Å; Y353-F395 HydrophobicContact CD2-CD2 3.78Å; Y353-F395 AromaticContact CD2-CE1 3.98Å; Y353-F395 HydrophobicContact CD2-CE1 3.98Å; Y353-F395 AromaticContact CD2-CE2 3.75Å; Y353-F395 HydrophobicContact CD2-CE2 3.75Å; Y353-F395 AromaticContact CD2-CG 3.89Å; Y353-F395 HydrophobicContact CD2-CG 3.89Å; Y353-F395 AromaticContact CD2-CZ 3.83Å; Y353-F395 HydrophobicContact CD2-CZ 3.83Å; Y353-F395 HydrophobicContact CE2-CE1 4.39Å; Y353-F395 HydrophobicContact CE2-CE2 4.19Å; Y353-F395 HydrophobicContact CE2-CZ 4.03Å; F395-H397 PolarHBondContact O-N 2.84Å; F395-H397 VanDerWaalsContact O-N 3.09Å; F395-G413 WeakPolarHBondContact O-CA 3.5Å; F395-R414 HydrophobicContact CD1-CB 4.38Å; F395-R414 WeakPolarHBondContact CD1-O 3.42Å; F395-R414 HydrophobicContact CE1-CB 3.76Å; F395-R414 HydrophobicContact CE1-CG 4.01Å; F395-R414 HydrophobicContact CE2-CB 4.47Å; F395-R414 HydrophobicContact CZ-CB 3.83Å; F395-R414 HydrophobicContact CZ-CG 4.16Å; F395-R414 PolarHBondContact N-O 3.19Å; F395-R414 PolarHBondContact O-N 2.77Å; F395-R414 VanDerWaalsContact O-N 3.1Å; F395-L416 HydrophobicContact CD1-CD1 4.33Å; F395-L416 HydrophobicContact CD1-CD2 3.85Å; F395-L416 HydrophobicContact CD1-CG 3.85Å; F395-L416 HydrophobicContact CE1-CD2 3.6Å; F395-L416 HydrophobicContact CE1-CG 4.05Å
396D94.1Very high96.1Very high34 Ų3436.1 Ų36.118%0.18221%0.206CC..SBendtrans54.524-175.3-66.9-29.6000114C335 I464 G465C335-D396 PolarHBondContact O-N 2.79Å; C335-D396 VanDerWaalsContact O-N 3.14Å; D396-I464 HydrophobicContact CB-CB 3.8Å; D396-I464 HydrophobicContact CB-CG2 3.88Å; D396-G465 PolarHBondContact O-N 2.86Å
397H96.7Very high96.3Very high0 Ų034.9 Ų34.90%020%0.195CC..  trans-76.5175.9167.165.7-78.3000110.1K337 L350 V394 F395 G412K337-H397 WeakPolarHBondContact CB-NE2 3.39Å; K337-H397 VanDerWaalsContact CD-O 3.31Å; K337-H397 WeakPolarHBondContact CD-O 3.48Å; K337-H397 WeakPolarHBondContact CE-O 3.47Å; K337-H397 WeakPolarHBondContact CG-O 3.4Å; L350-H397 PolarHBondContact O-CE1 3.22Å; V394-H397 HydrophobicContact CB-CB 4.43Å; V394-H397 HydrophobicContact CG2-CB 4.09Å; V394-H397 WeakPolarHBondContact CG2-ND1 3.32Å; F395-H397 PolarHBondContact O-N 2.84Å; F395-H397 VanDerWaalsContact O-N 3.09Å; H397-G412 WeakPolarHBondContact CB-O 3.21Å
398Q97.3Very high96.5Very high20 Ų2031.2 Ų31.29%0.09316%0.164CC..EExtended strand (participates in β ladder)trans-121.6152.7169.9-65.3-64.7-1700111.6T410 F411 H466 M468Q398-T410 WeakPolarHBondContact O-CA 3.27Å; Q398-F411 PolarHBondContact N-O 2.89Å; Q398-F411 PolarHBondContact O-N 3.28Å; Q398-H466 WeakPolarHBondContact CG-NE2 3.5Å; Q398-H466 WeakPolarHBondContact CG-O 3.39Å; Q398-H466 PolarHBondContact NE2-O 2.94Å; Q398-M468 HydrophobicContact CB-CB 3.53Å; Q398-M468 HydrophobicContact CB-CE 3.89Å; Q398-M468 HydrophobicContact CB-SD 4.45Å; Q398-M468 HydrophobicContact CG-CB 3.96Å; Q398-M468 WeakPolarHBondContact O-CE 3.29Å
399M97.9Very high96.6Very high12 Ų1227.4 Ų27.46%0.05914%0.143CC..EExtended strand (participates in β ladder)trans-132.9136.6174.4-68177.473.300109.9K337 C339 L350 F368 I408 Y409 T410K337-M399 HydrophobicContact CB-CB 4.07Å; K337-M399 HydrophobicContact CB-CG 3.71Å; K337-M399 HydrophobicContact CB-SD 3.6Å; K337-M399 VanDerWaalsContact CB-SD 3.6Å; K337-M399 HydrophobicContact CG-CG 4.44Å; C339-M399 HydrophobicContact CB-CB 4.4Å; L350-M399 HydrophobicContact CB-CE 4.04Å; L350-M399 HydrophobicContact CB-SD 3.52Å; L350-M399 VanDerWaalsContact CB-SD 3.52Å; L350-M399 HydrophobicContact CD2-CE 4.48Å; L350-M399 HydrophobicContact CD2-SD 4.25Å; L350-M399 HydrophobicContact CG-SD 4.5Å; F368-M399 HydrophobicContact CE2-CE 4.08Å; M399-I408 HydrophobicContact CE-CG2 3.53Å; M399-Y409 CarbonylContact C-O 3.59Å; M399-Y409 VanDerWaalsContact CA-O 3.26Å; M399-Y409 WeakPolarHBondContact CA-O 3.37Å; M399-T410 HydrophobicContact CG-CG2 4.31Å
400C97.6Very high96.8Very high12 Ų1225.2 Ų25.28%0.08112%0.121CC..EExtended strand (participates in β ladder)trans-131.3149.8172.8-62.20000110.7I408 Y409 M468 F470 L477C400-I408 WeakPolarHBondContact O-CA 3.33Å; C400-Y409 PolarHBondContact N-O 2.8Å; C400-Y409 PolarHBondContact O-N 2.84Å; C400-M468 HydrophobicContact CB-CE 4.11Å; C400-M468 VanDerWaalsContact SG-C 3.57Å; C400-M468 PolarHBondContact SG-O 3.42Å; C400-F470 HydrophobicContact CB-CB 3.8Å; C400-L477 HydrophobicContact CB-CD2 4.19Å
401M97.7Very high96.8Very high22 Ų2225 Ų2511%0.10812%0.119CC..EExtended strand (participates in β ladder)trans-108.8128.7179.6-174.972.6-160.400110.3C339 I340 D341 H406 I408C339-M401 HydrophobicContact CB-CB 4.19Å; I340-M401 WeakPolarHBondContact O-CB 3.17Å; I340-M401 WeakPolarHBondContact O-CG 3.18Å; D341-M401 HydrophobicContact CB-CE 3.56Å; D341-M401 HydrophobicContact CB-CG 4.25Å; D341-M401 HydrophobicContact CB-SD 4.02Å; D341-M401 VanDerWaalsContact CG-CE 3.46Å; D341-M401 WeakPolarHBondContact OD2-CE 3.48Å; M401-H406 VanDerWaalsContact CE-CA 3.49Å; M401-H406 HydrophobicContact CE-CB 4.3Å; M401-I408 HydrophobicContact SD-CD1 4.38Å; M401-I408 HydrophobicContact SD-CG1 3.55Å; M401-I408 VanDerWaalsContact SD-CG1 3.55Å
402D97.6Very high96.7Very high1 Ų125 Ų251%0.00512%0.119CC..EExtended strand (participates in β ladder)trans-96.290.8160177.4-6.7000107.3E404 K405 H406 M407 Y409 F470 R475D402-E404 PolarHBondContact O-N 3.4Å; D402-E404 WeakPolarHBondContact OD1-CB 3.41Å; D402-E404 PolarHBondContact OD1-N 3.12Å; D402-K405 PolarHBondContact O-N 3.47Å; D402-K405 PolarHBondContact OD1-N 3.34Å; D402-K405 VanDerWaalsContact OD1-N 3.1Å; D402-H406 VanDerWaalsContact O-CA 3.26Å; D402-H406 WeakPolarHBondContact O-CA 3.23Å; D402-H406 PolarHBondContact O-N 3.46Å; D402-M407 HydrophobicContact CB-CB 4.21Å; D402-M407 PolarHBondContact N-O 3.09Å; D402-M407 PolarHBondContact O-N 3.33Å; D402-M407 VanDerWaalsContact O-N 3.08Å; D402-Y409 HydrophobicContact CB-CE2 3.91Å; D402-F470 HydrophobicContact CB-CD1 4.06Å; D402-F470 HydrophobicContact CB-CE1 3.47Å; D402-F470 VanDerWaalsContact CB-CE1 3.47Å; D402-F470 HydrophobicContact CB-CE2 4.48Å; D402-F470 HydrophobicContact CB-CZ 3.72Å; D402-R475 IonicContact OD1-NH1 3.57Å; D402-R475 IonicContact OD2-CZ 2.75Å; D402-R475 IonicContact OD2-NH1 3Å; D402-R475 PolarHBondContact OD2-NH1 2.84Å; D402-R475 IonicContact OD2-NH2 3.49Å; D402-R475 PolarHBondContact OD2-NH2 2.79Å
403S95.5Very high96.7Very high19 Ų1919.8 Ų19.813%0.13310%0.096CC..THydrogen-bonded Turntrans-64.3-22.3-177.8-58.20000113S342 Q343 H406S342-S403 PolarHBondContact N-OG 3.47Å; S342-S403 PolarHBondContact OG-OG 3.34Å; Q343-S403 PolarHBondContact OE1-O 3.37Å; S403-H406 PolarHBondContact O-CE1 3.39Å; S403-H406 PolarHBondContact O-ND1 3.36Å
404E95.1Very high96.6Very high128 Ų12824.2 Ų24.260%0.59811%0.112SC*.THydrogen-bonded Turntrans-74.2-45.1179.3-172.7-172.8162.400111.2D402D402-E404 PolarHBondContact O-N 3.4Å; D402-E404 WeakPolarHBondContact OD1-CB 3.41Å; D402-E404 PolarHBondContact OD1-N 3.12Å
405K95.8Very high96.5Very high88 Ų8825.2 Ų25.238%0.38312%0.117SC..THydrogen-bonded Turntrans-92.3-3176.4-63.3-163.6-176.2169.20113.8D402 M407 R475 D498D402-K405 PolarHBondContact O-N 3.47Å; D402-K405 PolarHBondContact OD1-N 3.34Å; D402-K405 VanDerWaalsContact OD1-N 3.1Å; K405-M407 VanDerWaalsContact C-N 3.29Å; K405-M407 HydrophobicContact CB-CG 3.86Å; K405-M407 PolarHBondContact O-N 2.8Å; K405-R475 VanDerWaalsContact CD-NH2 3.29Å; K405-R475 VanDerWaalsContact NZ-NH2 3.1Å; K405-D498 VanDerWaalsContact NZ-CG 3.31Å; K405-D498 IonicContact NZ-OD1 3.57Å; K405-D498 PolarHBondContact NZ-OD1 2.84Å; K405-D498 IonicContact NZ-OD2 3.18Å; K405-D498 PolarHBondContact NZ-OD2 3.5Å; K405-D498 VanDerWaalsContact NZ-OD2 3.07Å
406H96.9Very high96.3Very high27 Ų2725 Ų2513%0.12512%0.117CC..THydrogen-bonded Turntrans52.846.4-172.6-51.6-75.9000113D341 R344 M401 D402 S403 C440D341-H406 IonicContact OD1-ND1 3.56Å; D341-H406 IonicContact OD2-CE1 3.02Å; D341-H406 IonicContact OD2-CG 3.3Å; D341-H406 IonicContact OD2-ND1 3.11Å; D341-H406 PolarHBondContact OD2-ND1 3.03Å; R344-H406 VanDerWaalsContact CZ-CD2 3.49Å; R344-H406 VanDerWaalsContact CZ-ND1 3.28Å; R344-H406 PolarHBondContact NE-CE1 3.31Å; R344-H406 VanDerWaalsContact NE-CE1 3.32Å; R344-H406 PolarHBondContact NE-ND1 3.3Å; R344-H406 PolarHBondContact NH2-CD2 2.76Å; R344-H406 PolarHBondContact NH2-CE1 3.35Å; R344-H406 PolarHBondContact NH2-ND1 3.01Å; R344-H406 PolarHBondContact NH2-NE2 2.75Å; M401-H406 VanDerWaalsContact CE-CA 3.49Å; M401-H406 HydrophobicContact CE-CB 4.3Å; D402-H406 VanDerWaalsContact O-CA 3.26Å; D402-H406 WeakPolarHBondContact O-CA 3.23Å; D402-H406 PolarHBondContact O-N 3.46Å; S403-H406 PolarHBondContact O-CE1 3.39Å; S403-H406 PolarHBondContact O-ND1 3.36Å; H406-C440 HydrophobicContact CB-CB 4.25Å; H406-C440 VanDerWaalsContact O-CB 3.28Å; H406-C440 WeakPolarHBondContact O-CB 3.2Å; H406-C440 PolarHBondContact O-N 2.86Å; H406-C440 PolarHBondContact O-SG 3.21Å
407M98.3Very high95.8Very high24 Ų2426.6 Ų26.612%0.11813%0.128CC..EExtended strand (participates in β ladder)trans-113136.2-179.1-68.1-65.4-59.700110.4D402 K405 Y409 A437 F438 H439D402-M407 HydrophobicContact CB-CB 4.21Å; D402-M407 PolarHBondContact N-O 3.09Å; D402-M407 PolarHBondContact O-N 3.33Å; D402-M407 VanDerWaalsContact O-N 3.08Å; K405-M407 VanDerWaalsContact C-N 3.29Å; K405-M407 HydrophobicContact CB-CG 3.86Å; K405-M407 PolarHBondContact O-N 2.8Å; M407-Y409 HydrophobicContact CB-CE2 4.17Å; M407-A437 HydrophobicContact CE-CB 3.63Å; M407-F438 WeakPolarHBondContact CA-O 3.33Å; M407-H439 HydrophobicContact CE-CB 4.24Å; M407-H439 WeakPolarHBondContact SD-CA 3.34Å; M407-H439 HydrophobicContact SD-CB 3.56Å; M407-H439 VanDerWaalsContact SD-CB 3.56Å; M407-H439 PolarHBondContact SD-CD2 3.42Å
408I98.7Very high94.9Very high0 Ų028.3 Ų28.30%014%0.139CC..EExtended strand (participates in β ladder)trans-105.8130.3171.3-63.4168.4000108.5Y348 F368 M399 C400 M401 A437 F438Y348-I408 HydrophobicContact CD1-CD1 3.62Å; Y348-I408 HydrophobicContact CD2-CD1 3.75Å; Y348-I408 HydrophobicContact CE1-CD1 4.11Å; Y348-I408 HydrophobicContact CE2-CD1 4.26Å; Y348-I408 HydrophobicContact CG-CD1 3.41Å; Y348-I408 VanDerWaalsContact CG-CD1 3.41Å; F368-I408 HydrophobicContact CZ-CD1 3.97Å; M399-I408 HydrophobicContact CE-CG2 3.53Å; C400-I408 WeakPolarHBondContact O-CA 3.33Å; M401-I408 HydrophobicContact SD-CD1 4.38Å; M401-I408 HydrophobicContact SD-CG1 3.55Å; M401-I408 VanDerWaalsContact SD-CG1 3.55Å; I408-A437 CarbonylContact O-C 3.55Å; I408-A437 VanDerWaalsContact O-CA 3.24Å; I408-A437 WeakPolarHBondContact O-CA 3.15Å; I408-F438 HydrophobicContact CB-CB 4.25Å; I408-F438 HydrophobicContact CD1-CD1 4.14Å; I408-F438 PolarHBondContact N-O 3.26Å; I408-F438 PolarHBondContact O-N 3.14Å
409Y98.7Very high93.2Very high9 Ų932.4 Ų32.44%0.03516%0.162CC..EExtended strand (participates in β ladder)trans-105.9130.3172-58.8-79000109.9M399 C400 D402 M407 Y436 A437 L448 M468 F470 L477 V497M399-Y409 CarbonylContact C-O 3.59Å; M399-Y409 VanDerWaalsContact CA-O 3.26Å; M399-Y409 WeakPolarHBondContact CA-O 3.37Å; C400-Y409 PolarHBondContact N-O 2.8Å; C400-Y409 PolarHBondContact O-N 2.84Å; D402-Y409 HydrophobicContact CB-CE2 3.91Å; M407-Y409 HydrophobicContact CB-CE2 4.17Å; Y409-Y436 CarbonylContact C-O 3.49Å; Y409-Y436 WeakPolarHBondContact CA-O 3.26Å; Y409-A437 HydrophobicContact CD1-CB 3.91Å; Y409-A437 HydrophobicContact CE1-CB 3.9Å; Y409-L448 HydrophobicContact CD1-CD1 4.04Å; Y409-L448 HydrophobicContact CE1-CD1 4.08Å; Y409-M468 VanDerWaalsContact O-CE 3.26Å; Y409-M468 WeakPolarHBondContact O-CE 3.37Å; Y409-F470 HydrophobicContact CD2-CD2 4.46Å; Y409-F470 HydrophobicContact CE2-CD2 4.35Å; Y409-F470 HydrophobicContact CE2-CE2 4.13Å; Y409-L477 HydrophobicContact CD1-CD1 4.25Å; Y409-L477 HydrophobicContact CD2-CD2 4.15Å; Y409-L477 HydrophobicContact CG-CD1 3.99Å; Y409-L477 HydrophobicContact CG-CD2 4.23Å; Y409-V497 HydrophobicContact CD1-CG1 4.43Å; Y409-V497 HydrophobicContact CE1-CB 3.99Å; Y409-V497 HydrophobicContact CE1-CG1 3.96Å; Y409-V497 HydrophobicContact CE2-CG1 4.16Å; Y409-V497 WeakPolarHBondContact OH-CG2 3.34Å
410T98.4Very high91.2Very high0 Ų034.2 Ų34.20%018%0.183CC..EExtended strand (participates in β ladder)trans-124.6124.9-178.2-61.50000109.5L350 P391 Q398 M399 L435 Y436L350-T410 HydrophobicContact CD2-CG2 4.04Å; P391-T410 HydrophobicContact CG-CG2 4.38Å; Q398-T410 WeakPolarHBondContact O-CA 3.27Å; M399-T410 HydrophobicContact CG-CG2 4.31Å; T410-L435 CarbonylContact O-C 3.52Å; T410-L435 WeakPolarHBondContact O-CA 3.37Å; T410-Y436 PolarHBondContact N-O 3.21Å; T410-Y436 PolarHBondContact O-N 2.95Å
411F97.8Very high89Confident2 Ų238 Ų381%0.00921%0.21CC..EExtended strand (participates in β ladder)trans-135.9144.4-177.6-175.9-123.5000113.8Q398 L435 I460 H466 M468 V479 F493Q398-F411 PolarHBondContact N-O 2.89Å; Q398-F411 PolarHBondContact O-N 3.28Å; F411-L435 HydrophobicContact CB-CD1 3.78Å; F411-L435 HydrophobicContact CD2-CB 3.68Å; F411-L435 HydrophobicContact CD2-CD1 4.3Å; F411-L435 HydrophobicContact CE2-CB 4.33Å; F411-L435 HydrophobicContact CG-CD1 4.3Å; F411-I460 HydrophobicContact CD2-CD1 4.02Å; F411-I460 HydrophobicContact CE2-CB 4.45Å; F411-I460 HydrophobicContact CE2-CD1 3.43Å; F411-I460 VanDerWaalsContact CE2-CD1 3.43Å; F411-I460 HydrophobicContact CE2-CG1 3.89Å; F411-I460 HydrophobicContact CZ-CB 4.2Å; F411-I460 HydrophobicContact CZ-CD1 3.92Å; F411-I460 HydrophobicContact CZ-CG1 4.15Å; F411-H466 AromaticContact CD1-NE2 3.49Å; F411-H466 WeakPolarHBondContact CD1-NE2 3.2Å; F411-H466 PolarHBondContact O-CE1 3.03Å; F411-M468 HydrophobicContact CB-CE 4.28Å; F411-M468 HydrophobicContact CB-SD 3.49Å; F411-M468 WeakPolarHBondContact CB-SD 3.35Å; F411-M468 HydrophobicContact CG-SD 4.44Å; F411-V479 HydrophobicContact CD1-CG1 4.24Å; F411-V479 HydrophobicContact CD1-CG2 4.25Å; F411-V479 HydrophobicContact CE1-CG1 3.99Å; F411-F493 HydrophobicContact CE1-CZ 4.24Å
412G95.5Very high86.6Confident0 Ų043.8 Ų43.80%025%0.246CC..  trans68.2-151.1170.400000112.9H397 S433H397-G412 WeakPolarHBondContact CB-O 3.21Å; G412-S433 VanDerWaalsContact CA-O 3.29Å; G412-S433 WeakPolarHBondContact CA-O 3.37Å; G412-S433 PolarHBondContact N-O 3.06Å; G412-S433 WeakPolarHBondContact O-CB 3.16Å
413G94.7Very high84.2Confident0 Ų052.2 Ų52.20%029%0.286CS..  trans81.7156.1-172.100000113.1F395 F432 S433 R463F395-G413 WeakPolarHBondContact O-CA 3.5Å; G413-F432 WeakPolarHBondContact O-CA 3.37Å; G413-F432 WeakPolarHBondContact O-CD1 3.1Å; G413-S433 PolarHBondContact O-N 2.71Å; G413-S433 VanDerWaalsContact O-N 3.13Å; G413-R463 PolarHBondContact N-O 2.97Å
414R93.7Very high81.6Confident97 Ų9757.2 Ų57.237%0.36631%0.311SS..EExtended strand (participates in β ladder)trans-91.3133.1178.1-178.5176.8177176.96.4109.9V394 F395 P430 F432 I464V394-R414 WeakPolarHBondContact CA-O 3.31Å; F395-R414 HydrophobicContact CD1-CB 4.38Å; F395-R414 WeakPolarHBondContact CD1-O 3.42Å; F395-R414 HydrophobicContact CE1-CB 3.76Å; F395-R414 HydrophobicContact CE1-CG 4.01Å; F395-R414 HydrophobicContact CE2-CB 4.47Å; F395-R414 HydrophobicContact CZ-CB 3.83Å; F395-R414 HydrophobicContact CZ-CG 4.16Å; F395-R414 PolarHBondContact N-O 3.19Å; F395-R414 PolarHBondContact O-N 2.77Å; F395-R414 VanDerWaalsContact O-N 3.1Å; R414-P430 HydrophobicContact CG-CB 4.48Å; R414-F432 HydrophobicContact CB-CD1 4.48Å; R414-F432 HydrophobicContact CB-CE1 4.36Å; R414-I464 HydrophobicContact CB-CG2 3.86Å
415I93.7Very high79Confident20 Ų2054.9 Ų54.910%0.10331%0.309CS..EExtended strand (participates in β ladder)trans-77.1130176.3-62.5170000109K392 V394 Q431 F432K392-I415 HydrophobicContact CB-CG1 4.4Å; K392-I415 HydrophobicContact CB-CG2 3.83Å; K392-I415 HydrophobicContact CD-CD1 4.39Å; K392-I415 HydrophobicContact CD-CG2 3.91Å; V394-I415 HydrophobicContact CG1-CG1 3.87Å; I415-Q431 HydrophobicContact CB-CB 4.16Å; I415-Q431 HydrophobicContact CD1-CB 4.21Å; I415-Q431 PolarHBondContact N-O 2.75Å; I415-F432 WeakPolarHBondContact CD1-O 3.48Å
416L89.9Confident76.7Confident11 Ų1162.9 Ų62.96%0.05834%0.337CS..PPolyproline II helixtrans-79.4132.7174.3-72.5174.1000110.9R352 L354 R359 L364 L393 F395R352-L416 WeakPolarHBondContact O-CD1 3.25Å; L354-L416 HydrophobicContact CB-CD1 4.06Å; L354-L416 HydrophobicContact CD1-CD1 4.38Å; L354-L416 HydrophobicContact CG-CD1 4.24Å; R359-L416 VanDerWaalsContact CZ-CD2 3.43Å; R359-L416 VanDerWaalsContact NH2-CD2 3.31Å; L364-L416 HydrophobicContact CD1-CB 3.98Å; L393-L416 HydrophobicContact CD2-CB 4.39Å; L393-L416 HydrophobicContact CD2-CD1 3.73Å; L393-L416 HydrophobicContact CG-CD1 3.98Å; L393-L416 PolarHBondContact O-N 3.26Å; F395-L416 HydrophobicContact CD1-CD1 4.33Å; F395-L416 HydrophobicContact CD1-CD2 3.85Å; F395-L416 HydrophobicContact CD1-CG 3.85Å; F395-L416 HydrophobicContact CE1-CD2 3.6Å; F395-L416 HydrophobicContact CE1-CG 4.05Å
417T84.3Confident74.4Confident66 Ų6667.4 Ų67.441%0.40537%0.366SS..  trans-118148.7177.3560000111.3R359 L364R359-T417 WeakPolarHBondContact CD-O 3.46Å; L364-T417 VanDerWaalsContact CD1-C 3.42Å
418C77.3Confident72.5Confident37 Ų3770.6 Ų70.625%0.2539%0.391CS..  trans-74.4150.8177.9-63.10000111.4G420C418-G420 PolarHBondContact O-N 2.76Å
419N62.9Low71.2Confident106 Ų10677.4 Ų77.457%0.56742%0.423SS*.THydrogen-bonded Turntrans-71.35.9-178.3-66.6-12.4000115.1S356S356-N419 PolarHBondContact O-ND2 3.06Å
420G54.5Low70.5Confident49 Ų4978.8 Ų78.851%0.50543%0.433SS..THydrogen-bonded Turntrans-131.714-166.400000116.7C418 V422C418-G420 PolarHBondContact O-N 2.76Å; G420-V422 WeakPolarHBondContact O-CG2 3.38Å; G420-V422 PolarHBondContact O-N 2.75Å; G420-V422 VanDerWaalsContact O-N 3.08Å
421S51.8Low70.1Confident93 Ų9383.4 Ų83.465%0.6545%0.454SS*.  trans-72.997.3166.851.50000108.7E423S421-E423 PolarHBondContact O-N 3.11Å
422V48.4Very low69.9Low142 Ų14283.9 Ų83.986%0.86146%0.456SS*.  trans-75.520.6-174.2-169.20000113.1G420G420-V422 WeakPolarHBondContact O-CG2 3.38Å; G420-V422 PolarHBondContact O-N 2.75Å; G420-V422 VanDerWaalsContact O-N 3.08Å
423E45.9Very low69.9Low179 Ų17984 Ų8484%0.83646%0.457SS*.SBendtrans-124.271.7166.4-74.6-177.5166.300108.6S421S421-E423 PolarHBondContact O-N 3.11Å
424D42.4Very low69.9Low123 Ų12384.3 Ų84.366%0.65846%0.46SS*.  176.7122.9119-101.5-26.2000111.8
425S40.5Very low70.1Confident80 Ų8079.8 Ų79.856%0.55944%0.443SS*.  trans-29.3133.615639.20000114.6T427S425-T427 PolarHBondContact O-N 2.7Å; S425-T427 PolarHBondContact O-OG1 2.89Å
426R46.5Very low70.3Confident256 Ų25680.7 Ų80.797%0.96645%0.446SS*.SBendtrans28.511.7142.1-60.5-175.3-174.3-178.52.4122
427T48.5Very low70.7Confident122 Ų12280.2 Ų80.275%0.74844%0.443SS*.  trans-158.818-166.543.20000114.7S425 E429S425-T427 PolarHBondContact O-N 2.7Å; S425-T427 PolarHBondContact O-OG1 2.89Å; T427-E429 PolarHBondContact O-N 2.76Å
428S59.6Low71.4Confident90 Ų9077.4 Ų77.463%0.62943%0.425SS*.PPolyproline II helixtrans-79.1117.4173.6-169.50000110.6
429E70.6Confident72.4Confident144 Ų14478.8 Ų78.867%0.67343%0.428SS*.PPolyproline II helixtrans-62.6148.8175.5-69-156.1148.600111.4T427 Q431T427-E429 PolarHBondContact O-N 2.76Å; E429-Q431 PolarHBondContact O-N 2.81Å
430P83.8Confident74Confident37 Ų3774.5 Ų74.524%0.2441%0.406CS..PPolyproline II helixtrans-53.9129.3173.2-24.134000112R414 F432R414-P430 HydrophobicContact CG-CB 4.48Å; P430-F432 HydrophobicContact CB-CE2 3.83Å; P430-F432 HydrophobicContact CB-CZ 4.11Å; P430-F432 VanDerWaalsContact O-CD2 3.24Å; P430-F432 WeakPolarHBondContact O-CD2 3.3Å; P430-F432 VanDerWaalsContact O-CE2 3.23Å; P430-F432 WeakPolarHBondContact O-CE2 3.37Å
431Q90.2Very high75.9Confident97 Ų9778.6 Ų78.645%0.45341%0.412SS..PPolyproline II helixtrans-83142.5172.5-66.3-176.8-11.600111I415 E429I415-Q431 HydrophobicContact CB-CB 4.16Å; I415-Q431 HydrophobicContact CD1-CB 4.21Å; I415-Q431 PolarHBondContact N-O 2.75Å; E429-Q431 PolarHBondContact O-N 2.81Å
432F93.4Very high78Confident13 Ų1377 Ų776%0.05741%0.405CS..BIsolated β-bridgetrans-123.7153.5179.3-64.3-95.2000111G413 R414 I415 P430 S462 I464 R484G413-F432 WeakPolarHBondContact O-CA 3.37Å; G413-F432 WeakPolarHBondContact O-CD1 3.1Å; R414-F432 HydrophobicContact CB-CD1 4.48Å; R414-F432 HydrophobicContact CB-CE1 4.36Å; I415-F432 WeakPolarHBondContact CD1-O 3.48Å; P430-F432 HydrophobicContact CB-CE2 3.83Å; P430-F432 HydrophobicContact CB-CZ 4.11Å; P430-F432 VanDerWaalsContact O-CD2 3.24Å; P430-F432 WeakPolarHBondContact O-CD2 3.3Å; P430-F432 VanDerWaalsContact O-CE2 3.23Å; P430-F432 WeakPolarHBondContact O-CE2 3.37Å; F432-S462 VanDerWaalsContact CB-CB 3.48Å; F432-I464 HydrophobicContact CD1-CG2 4.43Å; F432-I464 HydrophobicContact CE1-CG2 4.02Å; F432-R484 HydrophobicContact CD2-CG 4.42Å; F432-R484 HydrophobicContact CE1-CG 4.47Å; F432-R484 HydrophobicContact CE2-CG 3.77Å; F432-R484 HydrophobicContact CZ-CG 3.81Å
433S95.3Very high80.3Confident3 Ų372.5 Ų72.52%0.02139%0.386CS..  trans-88.9143.5177.5178.70000111.5G412 G413 Y436 S462G412-S433 VanDerWaalsContact CA-O 3.29Å; G412-S433 WeakPolarHBondContact CA-O 3.37Å; G412-S433 PolarHBondContact N-O 3.06Å; G412-S433 WeakPolarHBondContact O-CB 3.16Å; G413-S433 PolarHBondContact O-N 2.71Å; G413-S433 VanDerWaalsContact O-N 3.13Å; S433-Y436 WeakPolarHBondContact OG-CE2 3.26Å; S433-S462 WeakPolarHBondContact O-CB 3.24Å; S433-S462 PolarHBondContact O-OG 2.87Å
434G95.5Very high82.7Confident5 Ų567.8 Ų67.85%0.05237%0.37CS..  trans-73.4-165.3173.500000113.9R449G434-R449 CarbonylContact C-O 3.54Å; G434-R449 WeakPolarHBondContact CA-O 3.38Å
435L97.6Very high85.4Confident3 Ų363.1 Ų63.12%0.01634%0.343CS..EExtended strand (participates in β ladder)trans-93.5120.4175.1177.465.3000110.2T410 F411 L448 R449 I460 L477 Y495T410-L435 CarbonylContact O-C 3.52Å; T410-L435 WeakPolarHBondContact O-CA 3.37Å; F411-L435 HydrophobicContact CB-CD1 3.78Å; F411-L435 HydrophobicContact CD2-CB 3.68Å; F411-L435 HydrophobicContact CD2-CD1 4.3Å; F411-L435 HydrophobicContact CE2-CB 4.33Å; F411-L435 HydrophobicContact CG-CD1 4.3Å; L435-L448 HydrophobicContact CB-CB 4.46Å; L435-L448 HydrophobicContact CD2-CB 4.09Å; L435-L448 HydrophobicContact CD2-CD1 4Å; L435-L448 HydrophobicContact CG-CB 4.05Å; L435-L448 HydrophobicContact CG-CD1 4.05Å; L435-L448 HydrophobicContact CG-CG 4.41Å; L435-L448 WeakPolarHBondContact O-CB 3.39Å; L435-L448 PolarHBondContact O-N 3.13Å; L435-R449 HydrophobicContact CB-CB 4.13Å; L435-R449 HydrophobicContact CD2-CG 4.48Å; L435-R449 PolarHBondContact N-O 2.82Å; L435-R449 PolarHBondContact O-N 3.35Å; L435-I460 HydrophobicContact CB-CD1 3.78Å; L435-I460 HydrophobicContact CD2-CD1 4.04Å; L435-L477 HydrophobicContact CD1-CD1 3.87Å; L435-L477 HydrophobicContact CD2-CD1 4.34Å; L435-Y495 HydrophobicContact CD2-CD1 3.73Å; L435-Y495 HydrophobicContact CD2-CE1 3.54Å; L435-Y495 HydrophobicContact CD2-CE2 4.46Å; L435-Y495 HydrophobicContact CD2-CG 4.25Å
436Y98.3Very high88.1Confident39 Ų3966.5 Ų66.515%0.15334%0.344CS..EExtended strand (participates in β ladder)trans-117.7153.3177.9-67.6-100.5000110.7P391 Y409 T410 S433 R446 L447P391-Y436 HydrophobicContact CB-CD2 4.06Å; P391-Y436 HydrophobicContact CB-CE2 4.06Å; Y409-Y436 CarbonylContact C-O 3.49Å; Y409-Y436 WeakPolarHBondContact CA-O 3.26Å; T410-Y436 PolarHBondContact N-O 3.21Å; T410-Y436 PolarHBondContact O-N 2.95Å; S433-Y436 WeakPolarHBondContact OG-CE2 3.26Å; Y436-R446 CarbonylContact C-O 3.52Å; Y436-R446 WeakPolarHBondContact CA-O 3.45Å; Y436-L447 HydrophobicContact CD1-CB 4.11Å; Y436-L447 HydrophobicContact CD1-CD1 4.17Å; Y436-L447 HydrophobicContact CD2-CD1 4.27Å; Y436-L447 HydrophobicContact CE1-CB 3.9Å; Y436-L447 HydrophobicContact CE1-CD1 3.78Å; Y436-L447 HydrophobicContact CE1-CG 4.36Å; Y436-L447 HydrophobicContact CE2-CD1 3.86Å; Y436-L447 HydrophobicContact CG-CD1 4.4Å
437A98.4Very high90.5Very high0 Ų057.7 Ų57.70%032%0.316CS..EExtended strand (participates in β ladder)trans-121.1137.216900000110.2M407 I408 Y409 W445 R446 L448M407-A437 HydrophobicContact CE-CB 3.63Å; I408-A437 CarbonylContact O-C 3.55Å; I408-A437 VanDerWaalsContact O-CA 3.24Å; I408-A437 WeakPolarHBondContact O-CA 3.15Å; Y409-A437 HydrophobicContact CD1-CB 3.91Å; Y409-A437 HydrophobicContact CE1-CB 3.9Å; A437-W445 CarbonylContact O-C 3.53Å; A437-W445 WeakPolarHBondContact O-CA 3.36Å; A437-R446 PolarHBondContact N-O 3.15Å; A437-R446 PolarHBondContact O-N 2.66Å; A437-L448 HydrophobicContact CB-CD1 3.97Å; A437-L448 HydrophobicContact CB-CD2 4.08Å; A437-L448 HydrophobicContact CB-CG 4.05Å
438F98.6Very high92.7Very high8 Ų853 Ų534%0.03529%0.286CS..EExtended strand (participates in β ladder)trans-118.4127.1175178.2-102.5000110.3F368 L381 M407 I408 C440 T444 W445F368-F438 HydrophobicContact CD1-CZ 4.41Å; F368-F438 AromaticContact CE1-CD1 3.86Å; F368-F438 HydrophobicContact CE1-CD1 3.86Å; F368-F438 HydrophobicContact CE1-CD2 4.41Å; F368-F438 AromaticContact CE1-CE1 3.59Å; F368-F438 HydrophobicContact CE1-CE1 3.59Å; F368-F438 HydrophobicContact CE1-CE2 4.18Å; F368-F438 HydrophobicContact CE1-CG 4.25Å; F368-F438 AromaticContact CE1-CZ 3.75Å; F368-F438 HydrophobicContact CE1-CZ 3.75Å; F368-F438 HydrophobicContact CZ-CD1 4.23Å; F368-F438 HydrophobicContact CZ-CE1 4.26Å; L381-F438 HydrophobicContact CD1-CE1 4.43Å; L381-F438 HydrophobicContact CD1-CZ 4.44Å; M407-F438 WeakPolarHBondContact CA-O 3.33Å; I408-F438 HydrophobicContact CB-CB 4.25Å; I408-F438 HydrophobicContact CD1-CD1 4.14Å; I408-F438 PolarHBondContact N-O 3.26Å; I408-F438 PolarHBondContact O-N 3.14Å; F438-C440 HydrophobicContact CE1-CB 4.42Å; F438-T444 WeakPolarHBondContact CA-O 3.32Å; F438-W445 HydrophobicContact CB-CD2 3.91Å; F438-W445 HydrophobicContact CB-CE3 3.66Å; F438-W445 HydrophobicContact CB-CH2 3.82Å; F438-W445 HydrophobicContact CB-CZ2 4.06Å; F438-W445 HydrophobicContact CB-CZ3 3.62Å; F438-W445 AromaticContact CD2-CD1 3.77Å; F438-W445 AromaticContact CD2-CD2 3.66Å; F438-W445 HydrophobicContact CD2-CD2 3.66Å; F438-W445 AromaticContact CD2-CE2 3.44Å; F438-W445 VanDerWaalsContact CD2-CE2 3.44Å; F438-W445 HydrophobicContact CD2-CE3 4.31Å; F438-W445 AromaticContact CD2-CG 3.85Å; F438-W445 HydrophobicContact CD2-CG 3.85Å; F438-W445 AromaticContact CD2-CZ2 3.92Å; F438-W445 HydrophobicContact CD2-CZ2 3.92Å; F438-W445 AromaticContact CD2-NE1 3.51Å; F438-W445 AromaticContact CE2-NE1 3.79Å; F438-W445 HydrophobicContact CG-CD2 4.21Å; F438-W445 HydrophobicContact CG-CE3 4.44Å; F438-W445 HydrophobicContact CG-CH2 4.33Å; F438-W445 HydrophobicContact CG-CZ2 4.09Å
439H97.9Very high94.4Very high65 Ų6551.2 Ų51.230%0.30127%0.265SS..EExtended strand (participates in β ladder)trans-91.9104.1177.8-172.1-80.3000110.5M407 Q441 A442 G443 T444M407-H439 HydrophobicContact CE-CB 4.24Å; M407-H439 WeakPolarHBondContact SD-CA 3.34Å; M407-H439 HydrophobicContact SD-CB 3.56Å; M407-H439 VanDerWaalsContact SD-CB 3.56Å; M407-H439 PolarHBondContact SD-CD2 3.42Å; H439-Q441 VanDerWaalsContact C-N 3.31Å; H439-Q441 PolarHBondContact O-N 3.18Å; H439-A442 HydrophobicContact CB-CB 4.17Å; H439-A442 WeakPolarHBondContact ND1-CB 3.11Å; H439-A442 PolarHBondContact ND1-N 3.17Å; H439-A442 VanDerWaalsContact ND1-N 3.13Å; H439-A442 PolarHBondContact O-N 3.31Å; H439-G443 PolarHBondContact O-N 3.3Å; H439-T444 PolarHBondContact N-O 3.42Å
440C97.2Very high95.4Very high17 Ų1751.3 Ų51.312%0.11527%0.266CS..THydrogen-bonded Turntrans-60.5-34.8-166.8-65.40000114.3H406 F438H406-C440 HydrophobicContact CB-CB 4.25Å; H406-C440 VanDerWaalsContact O-CB 3.28Å; H406-C440 WeakPolarHBondContact O-CB 3.2Å; H406-C440 PolarHBondContact O-N 2.86Å; H406-C440 PolarHBondContact O-SG 3.21Å; F438-C440 HydrophobicContact CE1-CB 4.42Å
441Q93.6Very high95.6Very high135 Ų13551.7 Ų51.763%0.63127%0.266SS*.THydrogen-bonded Turntrans-75.7-33177.7-65.5-179.2-3100113R344 H439R344-Q441 VanDerWaalsContact NH1-CG 3.27Å; H439-Q441 VanDerWaalsContact C-N 3.31Å; H439-Q441 PolarHBondContact O-N 3.18Å
442A95.6Very high95.1Very high60 Ų6048 Ų4850%0.49625%0.25SS..THydrogen-bonded Turntrans-89.2-21.7-173.900000111.3H439 T444H439-A442 HydrophobicContact CB-CB 4.17Å; H439-A442 WeakPolarHBondContact ND1-CB 3.11Å; H439-A442 PolarHBondContact ND1-N 3.17Å; H439-A442 VanDerWaalsContact ND1-N 3.13Å; H439-A442 PolarHBondContact O-N 3.31Å; A442-T444 VanDerWaalsContact C-N 3.32Å; A442-T444 HydrophobicContact CB-CG2 4.26Å
443G96.4Very high93.8Very high46 Ų4651.6 Ų51.647%0.47428%0.277SS..THydrogen-bonded Turntrans72.824.6-17700000113H439H439-G443 PolarHBondContact O-N 3.3Å
444T97.6Very high92.2Very high81 Ų8157.1 Ų57.150%0.49731%0.306SS..EExtended strand (participates in β ladder)trans-118.3137.6-171.256.70000112.5F438 H439 A442F438-T444 WeakPolarHBondContact CA-O 3.32Å; H439-T444 PolarHBondContact N-O 3.42Å; A442-T444 VanDerWaalsContact C-N 3.32Å; A442-T444 HydrophobicContact CB-CG2 4.26Å
445W98.3Very high90.3Very high25 Ų2562.1 Ų62.110%0.09535%0.347CS..EExtended strand (participates in β ladder)trans-90.6150.1171.4-69.496.6000112.1L350 F368 T385 P391 A437 F438L350-W445 HydrophobicContact CD2-CH2 4.08Å; F368-W445 AromaticContact CD1-CZ2 3.99Å; F368-W445 HydrophobicContact CD1-CZ2 3.99Å; F368-W445 AromaticContact CE1-CZ2 3.98Å; F368-W445 HydrophobicContact CE1-CZ2 3.98Å; F368-W445 HydrophobicContact CG-CZ2 4.39Å; F368-W445 HydrophobicContact CZ-CZ2 4.38Å; T385-W445 HydrophobicContact CG2-CZ2 3.95Å; P391-W445 HydrophobicContact CG-CH2 4.33Å; P391-W445 HydrophobicContact CG-CZ3 4.29Å; A437-W445 CarbonylContact O-C 3.53Å; A437-W445 WeakPolarHBondContact O-CA 3.36Å; F438-W445 HydrophobicContact CB-CD2 3.91Å; F438-W445 HydrophobicContact CB-CE3 3.66Å; F438-W445 HydrophobicContact CB-CH2 3.82Å; F438-W445 HydrophobicContact CB-CZ2 4.06Å; F438-W445 HydrophobicContact CB-CZ3 3.62Å; F438-W445 AromaticContact CD2-CD1 3.77Å; F438-W445 AromaticContact CD2-CD2 3.66Å; F438-W445 HydrophobicContact CD2-CD2 3.66Å; F438-W445 AromaticContact CD2-CE2 3.44Å; F438-W445 VanDerWaalsContact CD2-CE2 3.44Å; F438-W445 HydrophobicContact CD2-CE3 4.31Å; F438-W445 AromaticContact CD2-CG 3.85Å; F438-W445 HydrophobicContact CD2-CG 3.85Å; F438-W445 AromaticContact CD2-CZ2 3.92Å; F438-W445 HydrophobicContact CD2-CZ2 3.92Å; F438-W445 AromaticContact CD2-NE1 3.51Å; F438-W445 AromaticContact CE2-NE1 3.79Å; F438-W445 HydrophobicContact CG-CD2 4.21Å; F438-W445 HydrophobicContact CG-CE3 4.44Å; F438-W445 HydrophobicContact CG-CH2 4.33Å; F438-W445 HydrophobicContact CG-CZ2 4.09Å
446R97.3Very high88.5Confident150 Ų15063.2 Ų63.257%0.56636%0.359SS*.EExtended strand (participates in β ladder)trans-136.9124.9170.5-173.7176.677.5174.95.8109.2Y436 A437 L448Y436-R446 CarbonylContact C-O 3.52Å; Y436-R446 WeakPolarHBondContact CA-O 3.45Å; A437-R446 PolarHBondContact N-O 3.15Å; A437-R446 PolarHBondContact O-N 2.66Å; R446-L448 HydrophobicContact CG-CD2 4.2Å
447L96.7Very high86.6Confident72 Ų7266.5 Ų66.538%0.37739%0.385SS..EExtended strand (participates in β ladder)trans-73.4124.4167.8176.262.4000109.1Y436 R449 E450Y436-L447 HydrophobicContact CD1-CB 4.11Å; Y436-L447 HydrophobicContact CD1-CD1 4.17Å; Y436-L447 HydrophobicContact CD2-CD1 4.27Å; Y436-L447 HydrophobicContact CE1-CB 3.9Å; Y436-L447 HydrophobicContact CE1-CD1 3.78Å; Y436-L447 HydrophobicContact CE1-CG 4.36Å; Y436-L447 HydrophobicContact CE2-CD1 3.86Å; Y436-L447 HydrophobicContact CG-CD1 4.4Å; L447-R449 WeakPolarHBondContact CD1-O 3.34Å; L447-E450 HydrophobicContact CD2-CG 3.82Å
448L95.4Very high85.3Confident24 Ų2470.4 Ų70.413%0.12640%0.403CS..EExtended strand (participates in β ladder)trans-95.7-48.9177.4-57-171.4000111.3Y409 L435 A437 R446 Y495Y409-L448 HydrophobicContact CD1-CD1 4.04Å; Y409-L448 HydrophobicContact CE1-CD1 4.08Å; L435-L448 HydrophobicContact CB-CB 4.46Å; L435-L448 HydrophobicContact CD2-CB 4.09Å; L435-L448 HydrophobicContact CD2-CD1 4Å; L435-L448 HydrophobicContact CG-CB 4.05Å; L435-L448 HydrophobicContact CG-CD1 4.05Å; L435-L448 HydrophobicContact CG-CG 4.41Å; L435-L448 WeakPolarHBondContact O-CB 3.39Å; L435-L448 PolarHBondContact O-N 3.13Å; A437-L448 HydrophobicContact CB-CD1 3.97Å; A437-L448 HydrophobicContact CB-CD2 4.08Å; A437-L448 HydrophobicContact CB-CG 4.05Å; R446-L448 HydrophobicContact CG-CD2 4.2Å; L448-Y495 HydrophobicContact CD1-CE1 3.99Å
449R93.8Very high84.3Confident51 Ų5172.9 Ų72.919%0.19242%0.417CS..EExtended strand (participates in β ladder)trans-141.2134.5-179.5-63.5-65.7-162.1-1362.6110G434 L435 L447 E458 I460 Y495 D500G434-R449 CarbonylContact C-O 3.54Å; G434-R449 WeakPolarHBondContact CA-O 3.38Å; L435-R449 HydrophobicContact CB-CB 4.13Å; L435-R449 HydrophobicContact CD2-CG 4.48Å; L435-R449 PolarHBondContact N-O 2.82Å; L435-R449 PolarHBondContact O-N 3.35Å; L447-R449 WeakPolarHBondContact CD1-O 3.34Å; R449-E458 IonicContact NH2-OE2 3.52Å; R449-E458 PolarHBondContact NH2-OE2 2.79Å; R449-I460 HydrophobicContact CB-CD1 3.58Å; R449-I460 HydrophobicContact CB-CG1 3.8Å; R449-I460 HydrophobicContact CG-CD1 3.88Å; R449-I460 HydrophobicContact CG-CG1 4.22Å; R449-Y495 HydrophobicContact CG-CE2 4.31Å; R449-D500 VanDerWaalsContact CZ-CG 3.41Å; R449-D500 IonicContact CZ-OD1 3.78Å; R449-D500 IonicContact CZ-OD2 3.58Å; R449-D500 VanDerWaalsContact CZ-OD2 3.29Å; R449-D500 IonicContact NE-OD1 2.79Å; R449-D500 IonicContact NH1-OD1 3.72Å; R449-D500 PolarHBondContact NH1-OD1 2.98Å; R449-D500 VanDerWaalsContact NH1-OD1 3.11Å; R449-D500 IonicContact NH1-OD2 2.84Å; R449-D500 PolarHBondContact NH1-OD2 3.01Å; R449-D500 VanDerWaalsContact NH2-CG 3.3Å; R449-D500 PolarHBondContact NH2-O 3.02Å; R449-D500 IonicContact NH2-OD1 3.75Å; R449-D500 PolarHBondContact NH2-OD1 3.03Å; R449-D500 VanDerWaalsContact NH2-OD1 3.15Å; R449-D500 IonicContact NH2-OD2 3.43Å; R449-D500 PolarHBondContact NH2-OD2 2.87Å
450E91.8Very high83.8Confident147 Ų14770 Ų7069%0.68740%0.404SS*.  trans-73.4164.3170.5-70.4-173.7175.700111.4L447 S452L447-E450 HydrophobicContact CD2-CG 3.82Å; E450-S452 PolarHBondContact O-N 3.42Å
451D89.2Confident83.5Confident44 Ų4472 Ų7224%0.23541%0.411CS..  trans-69.5117.7168177.137.6000109.4S462 R484D451-S462 WeakPolarHBondContact OD1-CB 3.38Å; D451-S462 PolarHBondContact OD1-N 3.27Å; D451-S462 PolarHBondContact OD1-OG 2.8Å; D451-R484 VanDerWaalsContact CG-NH1 3.31Å; D451-R484 IonicContact OD1-CZ 3.6Å; D451-R484 IonicContact OD1-NH1 2.74Å; D451-R484 PolarHBondContact OD1-NH1 3.31Å; D451-R484 IonicContact OD1-NH2 2.82Å; D451-R484 IonicContact OD2-CZ 2.79Å; D451-R484 IonicContact OD2-NH1 3.61Å; D451-R484 PolarHBondContact OD2-NH1 3.1Å; D451-R484 VanDerWaalsContact OD2-NH1 3.11Å; D451-R484 IonicContact OD2-NH2 3.66Å; D451-R484 PolarHBondContact OD2-NH2 3.42Å
452S79.5Confident83.4Confident19 Ų1965.6 Ų65.613%0.13338%0.381CS..  trans-109.7131.3178-171.30000111.6E450 N454 D459 I460 Q461E450-S452 PolarHBondContact O-N 3.42Å; S452-N454 VanDerWaalsContact C-N 3.33Å; S452-N454 PolarHBondContact OG-N 3.2Å; S452-D459 VanDerWaalsContact CB-OD1 3.26Å; S452-D459 WeakPolarHBondContact CB-OD1 3.49Å; S452-D459 PolarHBondContact OG-OD1 3.08Å; S452-D459 PolarHBondContact OG-OD2 2.85Å; S452-I460 PolarHBondContact N-O 2.72Å; S452-Q461 WeakPolarHBondContact O-CA 3.49Å
453C66.6Low83.3Confident90 Ų9062.8 Ų62.861%0.60836%0.358SS*.  trans-86.9-8171.5-54.30000112.3
454N62Low83.1Confident119 Ų11961.6 Ų61.664%0.63634%0.34SS*.SBendtrans-84.7150-174.7-64.2-26.1000110.4S452 G456 D459S452-N454 VanDerWaalsContact C-N 3.33Å; S452-N454 PolarHBondContact OG-N 3.2Å; N454-G456 PolarHBondContact O-N 3.27Å; N454-D459 VanDerWaalsContact CB-OD2 3.32Å; N454-D459 WeakPolarHBondContact CB-OD2 3.35Å; N454-D459 WeakPolarHBondContact O-CB 3.47Å
455A55.2Low82.6Confident110 Ų11058 Ų5891%0.90932%0.319SS*.  trans-91.234.6177.300000111.8
456G58.6Low82.4Confident26 Ų2656.8 Ų56.827%0.26831%0.314SS..  trans-66.6148.6174.300000110.6N454 E458 D459N454-G456 PolarHBondContact O-N 3.27Å; G456-E458 PolarHBondContact O-N 2.98Å; G456-E458 VanDerWaalsContact O-N 3.17Å; G456-D459 VanDerWaalsContact CA-OD2 3.27Å; G456-D459 WeakPolarHBondContact CA-OD2 3.13Å; G456-D459 PolarHBondContact N-OD2 2.77Å; G456-D459 VanDerWaalsContact N-OD2 3.14Å; G456-D459 PolarHBondContact O-N 2.81Å; G456-D459 VanDerWaalsContact O-N 3.12Å
457P58.7Low82.2Confident107 Ų10749.9 Ų49.970%0.69529%0.289SS*.THydrogen-bonded Turntrans-63.1-21.2-179.322.7-31.3000113.8
458E70.6Confident82.2Confident82 Ų8246.7 Ų46.738%0.38327%0.272SS..THydrogen-bonded Turntrans-101.6-6.6178.9-70.1-88.1149.900112.9R449 G456 H501R449-E458 IonicContact NH2-OE2 3.52Å; R449-E458 PolarHBondContact NH2-OE2 2.79Å; G456-E458 PolarHBondContact O-N 2.98Å; G456-E458 VanDerWaalsContact O-N 3.17Å; E458-H501 IonicContact OE1-CE1 2.69Å; E458-H501 IonicContact OE1-ND1 2.68Å; E458-H501 PolarHBondContact OE1-ND1 2.84Å
459D79.3Confident82.3Confident61 Ų6146.4 Ų46.433%0.32627%0.271SS..  trans-80.7131.9-176.9-77.3-50.7000111S452 N454 G456S452-D459 VanDerWaalsContact CB-OD1 3.26Å; S452-D459 WeakPolarHBondContact CB-OD1 3.49Å; S452-D459 PolarHBondContact OG-OD1 3.08Å; S452-D459 PolarHBondContact OG-OD2 2.85Å; N454-D459 VanDerWaalsContact CB-OD2 3.32Å; N454-D459 WeakPolarHBondContact CB-OD2 3.35Å; N454-D459 WeakPolarHBondContact O-CB 3.47Å; G456-D459 VanDerWaalsContact CA-OD2 3.27Å; G456-D459 WeakPolarHBondContact CA-OD2 3.13Å; G456-D459 PolarHBondContact N-OD2 2.77Å; G456-D459 VanDerWaalsContact N-OD2 3.14Å; G456-D459 PolarHBondContact O-N 2.81Å; G456-D459 VanDerWaalsContact O-N 3.12Å
460I87.3Confident82.5Confident5 Ų544.7 Ų44.73%0.02627%0.265CS..  trans-107.6120.5171.964.7174.8000110.6F411 L435 R449 S452 F493 V502F411-I460 HydrophobicContact CD2-CD1 4.02Å; F411-I460 HydrophobicContact CE2-CB 4.45Å; F411-I460 HydrophobicContact CE2-CD1 3.43Å; F411-I460 VanDerWaalsContact CE2-CD1 3.43Å; F411-I460 HydrophobicContact CE2-CG1 3.89Å; F411-I460 HydrophobicContact CZ-CB 4.2Å; F411-I460 HydrophobicContact CZ-CD1 3.92Å; F411-I460 HydrophobicContact CZ-CG1 4.15Å; L435-I460 HydrophobicContact CB-CD1 3.78Å; L435-I460 HydrophobicContact CD2-CD1 4.04Å; R449-I460 HydrophobicContact CB-CD1 3.58Å; R449-I460 HydrophobicContact CB-CG1 3.8Å; R449-I460 HydrophobicContact CG-CD1 3.88Å; R449-I460 HydrophobicContact CG-CG1 4.22Å; S452-I460 PolarHBondContact N-O 2.72Å; I460-F493 HydrophobicContact CB-CE2 4.32Å; I460-F493 HydrophobicContact CB-CZ 4.21Å; I460-F493 HydrophobicContact CG2-CD2 4.31Å; I460-F493 HydrophobicContact CG2-CE2 3.67Å; I460-F493 HydrophobicContact CG2-CZ 4.03Å; I460-V502 HydrophobicContact CG2-CG1 4.38Å; I460-V502 HydrophobicContact CG2-CG2 3.81Å
461Q89.6Confident82.8Confident58 Ų5837.7 Ų37.727%0.27123%0.232SC..  trans-82.8125.1178-179.9173.870.800110.4S452 R463 R484S452-Q461 WeakPolarHBondContact O-CA 3.49Å; Q461-R463 PolarHBondContact O-NE 2.77Å; Q461-R463 PolarHBondContact O-NH2 2.87Å; Q461-R484 VanDerWaalsContact CD-CD 3.5Å
462S92.9Very high82.9Confident0 Ų038.4 Ų38.40%024%0.238CC..  trans-74.8152.4176.6-64.80000112.7F432 S433 D451 R484F432-S462 VanDerWaalsContact CB-CB 3.48Å; S433-S462 WeakPolarHBondContact O-CB 3.24Å; S433-S462 PolarHBondContact O-OG 2.87Å; D451-S462 WeakPolarHBondContact OD1-CB 3.38Å; D451-S462 PolarHBondContact OD1-N 3.27Å; D451-S462 PolarHBondContact OD1-OG 2.8Å; S462-R484 PolarHBondContact O-NH1 3.27Å
463R92.5Very high83.5Confident1 Ų144.6 Ų44.60%0.00426%0.258CS..  trans-161.6161.9-167.363.7-160.674.2-166.21.3112G413 Q461 H466 G481 L489 D491G413-R463 PolarHBondContact N-O 2.97Å; Q461-R463 PolarHBondContact O-NE 2.77Å; Q461-R463 PolarHBondContact O-NH2 2.87Å; R463-H466 HydrophobicContact CG-CB 3.64Å; R463-H466 VanDerWaalsContact CG-ND1 3.34Å; R463-H466 WeakPolarHBondContact CG-ND1 3.4Å; R463-H466 PolarHBondContact O-CE1 3.3Å; R463-H466 PolarHBondContact O-ND1 3.39Å; R463-G481 WeakPolarHBondContact CD-O 3.4Å; R463-L489 HydrophobicContact CB-CD1 3.77Å; R463-L489 HydrophobicContact CG-CD1 4.43Å; R463-D491 IonicContact CZ-OD1 3.54Å; R463-D491 IonicContact CZ-OD2 3.56Å; R463-D491 IonicContact NH1-OD1 3.48Å; R463-D491 PolarHBondContact NH1-OD1 3.02Å; R463-D491 IonicContact NH1-OD2 3.46Å; R463-D491 PolarHBondContact NH1-OD2 3.4Å; R463-D491 IonicContact NH2-OD2 3.34Å; R463-D491 PolarHBondContact NH2-OD2 2.85Å
464I92.1Very high84.8Confident21 Ų2143.7 Ų43.711%0.10825%0.248CC..BIsolated β-bridgetrans-106.9152.7174.751.9170.6000111.1D396 R414 F432 H466 G482 Q483 F521D396-I464 HydrophobicContact CB-CB 3.8Å; D396-I464 HydrophobicContact CB-CG2 3.88Å; R414-I464 HydrophobicContact CB-CG2 3.86Å; F432-I464 HydrophobicContact CD1-CG2 4.43Å; F432-I464 HydrophobicContact CE1-CG2 4.02Å; I464-H466 PolarHBondContact O-N 2.85Å; I464-H466 VanDerWaalsContact O-N 3.08Å; I464-G482 CarbonylContact O-C 3.55Å; I464-G482 VanDerWaalsContact O-CA 3.31Å; I464-G482 WeakPolarHBondContact O-CA 3.43Å; I464-Q483 HydrophobicContact CG1-CB 4.3Å; I464-Q483 WeakPolarHBondContact CG1-O 3.33Å; I464-Q483 PolarHBondContact N-O 2.92Å; I464-Q483 PolarHBondContact O-N 2.89Å; I464-F521 HydrophobicContact CD1-CE2 3.55Å; I464-F521 HydrophobicContact CD1-CZ 4.03Å; I464-F521 HydrophobicContact CG1-CE2 3.87Å
465G88Confident86.4Confident5 Ų539.4 Ų39.45%0.05222%0.223CC..SBendtrans65.912.5173.600000114.9D396D396-G465 PolarHBondContact O-N 2.86Å
466H93Very high88.4Confident0 Ų035 Ų350%019%0.185CC..  trans-74.2165.2171.664-77.4000110.7Q398 F411 R463 I464 G481Q398-H466 WeakPolarHBondContact CG-NE2 3.5Å; Q398-H466 WeakPolarHBondContact CG-O 3.39Å; Q398-H466 PolarHBondContact NE2-O 2.94Å; F411-H466 AromaticContact CD1-NE2 3.49Å; F411-H466 WeakPolarHBondContact CD1-NE2 3.2Å; F411-H466 PolarHBondContact O-CE1 3.03Å; R463-H466 HydrophobicContact CG-CB 3.64Å; R463-H466 VanDerWaalsContact CG-ND1 3.34Å; R463-H466 WeakPolarHBondContact CG-ND1 3.4Å; R463-H466 PolarHBondContact O-CE1 3.3Å; R463-H466 PolarHBondContact O-ND1 3.39Å; I464-H466 PolarHBondContact O-N 2.85Å; I464-H466 VanDerWaalsContact O-N 3.08Å; H466-G481 WeakPolarHBondContact CB-O 3.24Å
467C93.7Very high90.2Very high5 Ų533.9 Ų33.93%0.03417%0.173CC..EExtended strand (participates in β ladder)trans-99.6142.6167.1-66.50000109.5V479 F480 A525C467-V479 WeakPolarHBondContact O-CA 3.12Å; C467-F480 HydrophobicContact CB-CD1 3.68Å; C467-F480 HydrophobicContact CB-CE1 3.2Å; C467-F480 HydrophobicContact CB-CE2 4.15Å; C467-F480 HydrophobicContact CB-CG 4.34Å; C467-F480 HydrophobicContact CB-CZ 3.45Å; C467-F480 VanDerWaalsContact CB-CZ 3.45Å; C467-F480 PolarHBondContact N-O 3.1Å; C467-F480 PolarHBondContact O-N 3.25Å; C467-F480 VanDerWaalsContact O-N 3.09Å; C467-F480 WeakPolarHBondContact SG-CZ 3.42Å; C467-A525 HydrophobicContact CB-CB 3.77Å
468M96.6Very high92.1Very high6 Ų629.4 Ų29.43%0.0314%0.142CC..EExtended strand (participates in β ladder)trans-135.1133.5170.4-176.517676.300107.7Q398 C400 Y409 F411 L477 Y478 V479Q398-M468 HydrophobicContact CB-CB 3.53Å; Q398-M468 HydrophobicContact CB-CE 3.89Å; Q398-M468 HydrophobicContact CB-SD 4.45Å; Q398-M468 HydrophobicContact CG-CB 3.96Å; Q398-M468 WeakPolarHBondContact O-CE 3.29Å; C400-M468 HydrophobicContact CB-CE 4.11Å; C400-M468 VanDerWaalsContact SG-C 3.57Å; C400-M468 PolarHBondContact SG-O 3.42Å; Y409-M468 VanDerWaalsContact O-CE 3.26Å; Y409-M468 WeakPolarHBondContact O-CE 3.37Å; F411-M468 HydrophobicContact CB-CE 4.28Å; F411-M468 HydrophobicContact CB-SD 3.49Å; F411-M468 WeakPolarHBondContact CB-SD 3.35Å; F411-M468 HydrophobicContact CG-SD 4.44Å; M468-L477 HydrophobicContact CG-CD2 4.24Å; M468-L477 HydrophobicContact SD-CD1 4.26Å; M468-L477 HydrophobicContact SD-CD2 4.28Å; M468-Y478 CarbonylContact C-O 3.53Å; M468-Y478 VanDerWaalsContact CA-O 3.27Å; M468-Y478 WeakPolarHBondContact CA-O 3.34Å; M468-V479 HydrophobicContact CB-CG2 4.28Å; M468-V479 HydrophobicContact CG-CG2 3.89Å; M468-V479 HydrophobicContact SD-CG2 4.42Å
469L97.6Very high93.2Very high17 Ų1725.6 Ų25.69%0.08913%0.125CC..EExtended strand (participates in β ladder)trans-136.6140.5-177.5-62166.7000109.2L477 Y478 A525 I527 I534L469-L477 CarbonylContact O-C 3.59Å; L469-L477 WeakPolarHBondContact O-CA 3.43Å; L469-Y478 PolarHBondContact N-O 3.02Å; L469-Y478 PolarHBondContact O-N 2.84Å; L469-A525 HydrophobicContact CD1-CB 3.74Å; L469-A525 HydrophobicContact CD2-CB 4.47Å; L469-A525 HydrophobicContact CG-CB 4.37Å; L469-I527 HydrophobicContact CB-CB 4.25Å; L469-I527 HydrophobicContact CB-CD1 4.39Å; L469-I527 HydrophobicContact CB-CG2 4.3Å; L469-I527 HydrophobicContact CD1-CB 4.17Å; L469-I534 HydrophobicContact CD1-CB 4.37Å; L469-I534 HydrophobicContact CD1-CD1 4.44Å; L469-I534 HydrophobicContact CD1-CG1 4.07Å; L469-I534 HydrophobicContact CD1-CG2 3.53Å
470F97.8Very high93.8Very high15 Ų1523.2 Ų23.27%0.06611%0.111CC..EExtended strand (participates in β ladder)trans-102.1123.4174.9-178.3-110.7000110.3C400 D402 Y409 T472 R475 L477 V497C400-F470 HydrophobicContact CB-CB 3.8Å; D402-F470 HydrophobicContact CB-CD1 4.06Å; D402-F470 HydrophobicContact CB-CE1 3.47Å; D402-F470 VanDerWaalsContact CB-CE1 3.47Å; D402-F470 HydrophobicContact CB-CE2 4.48Å; D402-F470 HydrophobicContact CB-CZ 3.72Å; Y409-F470 HydrophobicContact CD2-CD2 4.46Å; Y409-F470 HydrophobicContact CE2-CD2 4.35Å; Y409-F470 HydrophobicContact CE2-CE2 4.13Å; F470-T472 HydrophobicContact CD1-CG2 4.14Å; F470-T472 HydrophobicContact CE1-CG2 4.19Å; F470-R475 HydrophobicContact CZ-CB 4.46Å; F470-L477 HydrophobicContact CB-CD2 3.99Å; F470-L477 HydrophobicContact CD2-CD2 3.82Å; F470-L477 HydrophobicContact CD2-CG 4.38Å; F470-L477 HydrophobicContact CG-CD2 4.37Å; F470-V497 HydrophobicContact CE2-CG1 4.14Å; F470-V497 HydrophobicContact CE2-CG2 4.11Å
471H97.1Very high93.8Very high0 Ų023 Ų230%011%0.111CC..EExtended strand (participates in β ladder)trans-91.5108174.7-167.6-50.1000109.8R473 N474 R475 C476 Y478 I527 N532H471-R473 PolarHBondContact ND1-N 2.91Å; H471-R473 PolarHBondContact O-N 3.33Å; H471-N474 HydrophobicContact CB-CB 4.34Å; H471-N474 PolarHBondContact ND1-N 3.24Å; H471-N474 PolarHBondContact O-N 2.97Å; H471-R475 VanDerWaalsContact O-CA 3.27Å; H471-R475 WeakPolarHBondContact O-CA 3.43Å; H471-R475 PolarHBondContact O-N 3.4Å; H471-C476 PolarHBondContact N-O 3.43Å; H471-Y478 HydrophobicContact CB-CD2 4.06Å; H471-Y478 HydrophobicContact CB-CE2 3.63Å; H471-I527 HydrophobicContact CB-CD1 3.82Å; H471-N532 PolarHBondContact CE1-OD1 2.99Å; H471-N532 PolarHBondContact NE2-OD1 3.32Å
472T93.3Very high93.7Very high59 Ų5920.3 Ų20.336%0.36210%0.099SC..THydrogen-bonded Turntrans-59.7-42.3-172.951.60000113.6F470 R475 P529F470-T472 HydrophobicContact CD1-CG2 4.14Å; F470-T472 HydrophobicContact CE1-CG2 4.19Å; T472-R475 WeakPolarHBondContact O-CG 3.49Å; T472-P529 WeakPolarHBondContact OG1-CB 3.26Å
473R92.1Very high93.4Very high149 Ų14921.8 Ų21.856%0.56211%0.105SC*.THydrogen-bonded Turntrans-72.5-46.3-179.8-56.7-178.4178.9176-1.4114.1H471 R475 P529 E530H471-R473 PolarHBondContact ND1-N 2.91Å; H471-R473 PolarHBondContact O-N 3.33Å; R473-R475 VanDerWaalsContact C-N 3.3Å; R473-P529 WeakPolarHBondContact CD-O 3.2Å; R473-E530 IonicContact NH2-OE1 3.62Å
474N92.9Very high93.2Very high72 Ų7222.8 Ų22.839%0.38511%0.109SC..THydrogen-bonded Turntrans-80.9-14.8-179.2-60.51.2000112.4H471 C476H471-N474 HydrophobicContact CB-CB 4.34Å; H471-N474 PolarHBondContact ND1-N 3.24Å; H471-N474 PolarHBondContact O-N 2.97Å; N474-C476 PolarHBondContact O-N 3.41Å; N474-C476 PolarHBondContact O-SG 3.35Å; N474-C476 VanDerWaalsContact O-SG 3.36Å
475R95.1Very high92.8Very high29 Ų2924.2 Ų24.211%0.10912%0.121CC..THydrogen-bonded Turntrans56.435.5-177.2-56.6-172.552.961.423.8113.5D402 K405 F470 H471 T472 R473 V497 D498D402-R475 IonicContact OD1-NH1 3.57Å; D402-R475 IonicContact OD2-CZ 2.75Å; D402-R475 IonicContact OD2-NH1 3Å; D402-R475 PolarHBondContact OD2-NH1 2.84Å; D402-R475 IonicContact OD2-NH2 3.49Å; D402-R475 PolarHBondContact OD2-NH2 2.79Å; K405-R475 VanDerWaalsContact CD-NH2 3.29Å; K405-R475 VanDerWaalsContact NZ-NH2 3.1Å; F470-R475 HydrophobicContact CZ-CB 4.46Å; H471-R475 VanDerWaalsContact O-CA 3.27Å; H471-R475 WeakPolarHBondContact O-CA 3.43Å; H471-R475 PolarHBondContact O-N 3.4Å; T472-R475 WeakPolarHBondContact O-CG 3.49Å; R473-R475 VanDerWaalsContact C-N 3.3Å; R475-V497 HydrophobicContact CB-CG2 4.4Å; R475-V497 VanDerWaalsContact O-CG2 3.28Å; R475-V497 WeakPolarHBondContact O-CG2 3.23Å; R475-V497 PolarHBondContact O-N 3.46Å; R475-D498 WeakPolarHBondContact CD-OD2 3.47Å; R475-D498 IonicContact CZ-OD1 2.85Å; R475-D498 IonicContact CZ-OD2 3.66Å; R475-D498 VanDerWaalsContact NE-CG 3.33Å; R475-D498 IonicContact NE-OD1 3.27Å; R475-D498 PolarHBondContact NE-OD1 2.62Å; R475-D498 IonicContact NE-OD2 3.77Å; R475-D498 PolarHBondContact NE-OD2 3.35Å; R475-D498 IonicContact NH2-OD1 2.72Å; R475-D498 PolarHBondContact NH2-OD1 3.37Å; R475-D498 IonicContact NH2-OD2 2.87Å
476C97.1Very high92.5Very high18 Ų1833.4 Ų33.412%0.12216%0.159CC..EExtended strand (participates in β ladder)trans-112.3144.9177.2-59.60000111.9H471 N474 Y478 Y495H471-C476 PolarHBondContact N-O 3.43Å; N474-C476 PolarHBondContact O-N 3.41Å; N474-C476 PolarHBondContact O-SG 3.35Å; N474-C476 VanDerWaalsContact O-SG 3.36Å; C476-Y478 HydrophobicContact CB-CD2 4.45Å; C476-Y478 HydrophobicContact CB-CE2 3.93Å; C476-Y495 CarbonylContact C-O 3.5Å; C476-Y495 VanDerWaalsContact CA-O 3.24Å; C476-Y495 WeakPolarHBondContact CA-O 3.36Å
477L98Very high92Very high2 Ų237.5 Ų37.51%0.0119%0.185CC..EExtended strand (participates in β ladder)trans-84.7128.1162.1-64.7171.6000109.2C400 Y409 L435 M468 L469 F470 S494 Y495 V497C400-L477 HydrophobicContact CB-CD2 4.19Å; Y409-L477 HydrophobicContact CD1-CD1 4.25Å; Y409-L477 HydrophobicContact CD2-CD2 4.15Å; Y409-L477 HydrophobicContact CG-CD1 3.99Å; Y409-L477 HydrophobicContact CG-CD2 4.23Å; L435-L477 HydrophobicContact CD1-CD1 3.87Å; L435-L477 HydrophobicContact CD2-CD1 4.34Å; M468-L477 HydrophobicContact CG-CD2 4.24Å; M468-L477 HydrophobicContact SD-CD1 4.26Å; M468-L477 HydrophobicContact SD-CD2 4.28Å; L469-L477 CarbonylContact O-C 3.59Å; L469-L477 WeakPolarHBondContact O-CA 3.43Å; F470-L477 HydrophobicContact CB-CD2 3.99Å; F470-L477 HydrophobicContact CD2-CD2 3.82Å; F470-L477 HydrophobicContact CD2-CG 4.38Å; F470-L477 HydrophobicContact CG-CD2 4.37Å; L477-S494 CarbonylContact O-C 3.53Å; L477-S494 WeakPolarHBondContact O-CA 3.5Å; L477-Y495 HydrophobicContact CD1-CD1 4Å; L477-Y495 PolarHBondContact N-O 3.48Å; L477-Y495 PolarHBondContact O-N 3.25Å; L477-V497 HydrophobicContact CD1-CG1 4.1Å; L477-V497 HydrophobicContact CG-CG1 3.84Å
478Y97.1Very high91.3Very high12 Ų1240 Ų405%0.04719%0.194CC..EExtended strand (participates in β ladder)trans-103.5120.6172.8-74.5-91.4000109.1M468 L469 H471 C476 F492 I505 I527 I534 I560M468-Y478 CarbonylContact C-O 3.53Å; M468-Y478 VanDerWaalsContact CA-O 3.27Å; M468-Y478 WeakPolarHBondContact CA-O 3.34Å; L469-Y478 PolarHBondContact N-O 3.02Å; L469-Y478 PolarHBondContact O-N 2.84Å; H471-Y478 HydrophobicContact CB-CD2 4.06Å; H471-Y478 HydrophobicContact CB-CE2 3.63Å; C476-Y478 HydrophobicContact CB-CD2 4.45Å; C476-Y478 HydrophobicContact CB-CE2 3.93Å; Y478-F492 AromaticContact CD1-CE2 3.73Å; Y478-F492 HydrophobicContact CD1-CE2 3.73Å; Y478-F492 AromaticContact CD1-CZ 3.84Å; Y478-F492 HydrophobicContact CD1-CZ 3.84Å; Y478-F492 HydrophobicContact CG-CE2 4.36Å; Y478-I505 HydrophobicContact CD1-CD1 3.78Å; Y478-I505 HydrophobicContact CE1-CD1 3.76Å; Y478-I527 HydrophobicContact CD2-CD1 4.36Å; Y478-I534 HydrophobicContact CD1-CD1 3.88Å; Y478-I534 HydrophobicContact CD2-CD1 4.4Å; Y478-I534 HydrophobicContact CG-CD1 3.76Å; Y478-I560 HydrophobicContact CE1-CD1 4.43Å; Y478-I560 HydrophobicContact CE1-CG2 4.24Å; Y478-I560 HydrophobicContact CE2-CD1 4.27Å; Y478-I560 VanDerWaalsContact OH-CG2 3.3Å; Y478-I560 WeakPolarHBondContact OH-CG2 3.49Å
479V94.6Very high90.6Very high3 Ų340.6 Ų40.62%0.01820%0.197CC..EExtended strand (participates in β ladder)trans-122.3124.7-176.5178.40000109.8F411 C467 M468 F492 F493F411-V479 HydrophobicContact CD1-CG1 4.24Å; F411-V479 HydrophobicContact CD1-CG2 4.25Å; F411-V479 HydrophobicContact CE1-CG1 3.99Å; C467-V479 WeakPolarHBondContact O-CA 3.12Å; M468-V479 HydrophobicContact CB-CG2 4.28Å; M468-V479 HydrophobicContact CG-CG2 3.89Å; M468-V479 HydrophobicContact SD-CG2 4.42Å; V479-F492 WeakPolarHBondContact O-CA 3.5Å; V479-F492 WeakPolarHBondContact O-CD2 3.49Å; V479-F493 HydrophobicContact CB-CD1 4.26Å; V479-F493 HydrophobicContact CB-CD2 4.24Å; V479-F493 HydrophobicContact CB-CE1 3.71Å; V479-F493 HydrophobicContact CB-CE2 3.71Å; V479-F493 HydrophobicContact CB-CZ 3.42Å; V479-F493 VanDerWaalsContact CB-CZ 3.42Å; V479-F493 HydrophobicContact CG1-CD1 4.49Å; V479-F493 HydrophobicContact CG1-CE1 3.6Å; V479-F493 HydrophobicContact CG1-CE2 4.28Å; V479-F493 HydrophobicContact CG1-CZ 3.49Å; V479-F493 VanDerWaalsContact CG1-CZ 3.49Å; V479-F493 HydrophobicContact CG2-CE2 3.9Å; V479-F493 HydrophobicContact CG2-CZ 3.91Å; V479-F493 PolarHBondContact N-O 2.92Å; V479-F493 PolarHBondContact O-N 3.37Å
480F90.9Very high89.8Confident10 Ų1042.7 Ų42.74%0.04421%0.208CC..EExtended strand (participates in β ladder)trans-141.3148.5177.979.3-92.9000113.5C467 D491 F492 A525 I534 V536C467-F480 HydrophobicContact CB-CD1 3.68Å; C467-F480 HydrophobicContact CB-CE1 3.2Å; C467-F480 HydrophobicContact CB-CE2 4.15Å; C467-F480 HydrophobicContact CB-CG 4.34Å; C467-F480 HydrophobicContact CB-CZ 3.45Å; C467-F480 VanDerWaalsContact CB-CZ 3.45Å; C467-F480 PolarHBondContact N-O 3.1Å; C467-F480 PolarHBondContact O-N 3.25Å; C467-F480 VanDerWaalsContact O-N 3.09Å; C467-F480 WeakPolarHBondContact SG-CZ 3.42Å; F480-D491 WeakPolarHBondContact CA-O 3.44Å; F480-F492 HydrophobicContact CB-CB 3.98Å; F480-F492 HydrophobicContact CB-CD2 3.6Å; F480-F492 HydrophobicContact CB-CE2 4.25Å; F480-F492 HydrophobicContact CB-CG 3.87Å; F480-A525 HydrophobicContact CE1-CB 3.49Å; F480-A525 VanDerWaalsContact CE1-CB 3.49Å; F480-A525 HydrophobicContact CZ-CB 3.65Å; F480-I534 HydrophobicContact CE1-CG2 4.39Å; F480-V536 HydrophobicContact CE1-CG2 3.77Å; F480-V536 HydrophobicContact CE2-CG1 3.89Å; F480-V536 HydrophobicContact CE2-CG2 4.09Å; F480-V536 HydrophobicContact CZ-CB 4.11Å; F480-V536 HydrophobicContact CZ-CG1 3.62Å; F480-V536 HydrophobicContact CZ-CG2 3.33Å
481G87.9Confident89.2Confident2 Ų243.4 Ų43.42%0.02121%0.213CC..  trans69-153.9171.700000114R463 H466 L489 D491R463-G481 WeakPolarHBondContact CD-O 3.4Å; H466-G481 WeakPolarHBondContact CB-O 3.24Å; G481-L489 CarbonylContact C-O 3.58Å; G481-L489 VanDerWaalsContact CA-O 3.23Å; G481-L489 WeakPolarHBondContact CA-O 3.34Å; G481-D491 PolarHBondContact N-O 2.92Å
482G88.4Confident88.8Confident1 Ų143.7 Ų43.71%0.0121%0.214CC..  trans97.2-165.7179.400000113.3I464 L489I464-G482 CarbonylContact O-C 3.55Å; I464-G482 VanDerWaalsContact O-CA 3.31Å; I464-G482 WeakPolarHBondContact O-CA 3.43Å; G482-L489 PolarHBondContact O-N 2.8Å
483Q86.9Confident88.7Confident30 Ų3041 Ų4114%0.1420%0.198CC..EExtended strand (participates in β ladder)trans-141.8140.5-176.1-177.4178.2-15.400110.3I464 S485 T487 Y488 F521I464-Q483 HydrophobicContact CG1-CB 4.3Å; I464-Q483 WeakPolarHBondContact CG1-O 3.33Å; I464-Q483 PolarHBondContact N-O 2.92Å; I464-Q483 PolarHBondContact O-N 2.89Å; Q483-S485 PolarHBondContact NE2-O 2.8Å; Q483-T487 WeakPolarHBondContact CA-O 3.31Å; Q483-T487 WeakPolarHBondContact CG-O 3.38Å; Q483-Y488 HydrophobicContact CB-CD1 4.04Å; Q483-Y488 HydrophobicContact CB-CE1 4.14Å; Q483-Y488 HydrophobicContact CG-CD1 4.18Å; Q483-Y488 HydrophobicContact CG-CE1 4.11Å; Q483-Y488 PolarHBondContact OE1-OH 2.83Å; Q483-F521 HydrophobicContact CB-CD2 4.03Å; Q483-F521 HydrophobicContact CB-CE2 4.44Å
484R87.3Confident88.9Confident23 Ų2334.1 Ų34.19%0.08717%0.172CC..EExtended strand (participates in β ladder)trans-125.7121.8166.2-170.8-179.2-178.4105.9-5.4108.6F432 D451 Q461 S462 K486 T487 L489F432-R484 HydrophobicContact CD2-CG 4.42Å; F432-R484 HydrophobicContact CE1-CG 4.47Å; F432-R484 HydrophobicContact CE2-CG 3.77Å; F432-R484 HydrophobicContact CZ-CG 3.81Å; D451-R484 VanDerWaalsContact CG-NH1 3.31Å; D451-R484 IonicContact OD1-CZ 3.6Å; D451-R484 IonicContact OD1-NH1 2.74Å; D451-R484 PolarHBondContact OD1-NH1 3.31Å; D451-R484 IonicContact OD1-NH2 2.82Å; D451-R484 IonicContact OD2-CZ 2.79Å; D451-R484 IonicContact OD2-NH1 3.61Å; D451-R484 PolarHBondContact OD2-NH1 3.1Å; D451-R484 VanDerWaalsContact OD2-NH1 3.11Å; D451-R484 IonicContact OD2-NH2 3.66Å; D451-R484 PolarHBondContact OD2-NH2 3.42Å; Q461-R484 VanDerWaalsContact CD-CD 3.5Å; S462-R484 PolarHBondContact O-NH1 3.27Å; R484-K486 PolarHBondContact O-N 3.36Å; R484-K486 VanDerWaalsContact O-N 3.08Å; R484-T487 PolarHBondContact N-O 2.69Å; R484-T487 PolarHBondContact O-N 2.84Å; R484-L489 HydrophobicContact CB-CD1 4.15Å
485S84.3Confident89Confident51 Ų5130.9 Ų30.936%0.35715%0.154SC..THydrogen-bonded Turntrans53.2-114.3-175.5-61.30000111.7Q483Q483-S485 PolarHBondContact NE2-O 2.8Å
486K81.1Confident89Confident197 Ų19732 Ų3286%0.85716%0.163SC*.THydrogen-bonded Turntrans-98.5-1177.1-64.7-178.2-179175.40113.4R484R484-K486 PolarHBondContact O-N 3.36Å; R484-K486 VanDerWaalsContact O-N 3.08Å
487T82Confident88.9Confident87 Ų8731.6 Ų31.653%0.53416%0.16SC..EExtended strand (participates in β ladder)trans-99.7119.2-172.9-54.40000109.5Q483 R484 L489Q483-T487 WeakPolarHBondContact CA-O 3.31Å; Q483-T487 WeakPolarHBondContact CG-O 3.38Å; R484-T487 PolarHBondContact N-O 2.69Å; R484-T487 PolarHBondContact O-N 2.84Å; T487-L489 HydrophobicContact CG2-CD2 4.21Å
488Y79.8Confident88.7Confident57 Ų5735.7 Ų35.722%0.22418%0.182CC..EExtended strand (participates in β ladder)trans-75.4132.1165.2-67.9-74.7000109.1Q483 N490 F521 K542Q483-Y488 HydrophobicContact CB-CD1 4.04Å; Q483-Y488 HydrophobicContact CB-CE1 4.14Å; Q483-Y488 HydrophobicContact CG-CD1 4.18Å; Q483-Y488 HydrophobicContact CG-CE1 4.11Å; Q483-Y488 PolarHBondContact OE1-OH 2.83Å; Y488-N490 PolarHBondContact O-OD1 3.07Å; Y488-F521 HydrophobicContact CE1-CB 4.02Å; Y488-K542 HydrophobicContact CE2-CD 4.29Å
489L82.8Confident88.4Confident18 Ų1837.5 Ų37.59%0.09420%0.204CC..PPolyproline II helixtrans-98.6141.7179.4-61.7-179.7000108.7R463 G481 G482 R484 T487 D491R463-L489 HydrophobicContact CB-CD1 3.77Å; R463-L489 HydrophobicContact CG-CD1 4.43Å; G481-L489 CarbonylContact C-O 3.58Å; G481-L489 VanDerWaalsContact CA-O 3.23Å; G481-L489 WeakPolarHBondContact CA-O 3.34Å; G482-L489 PolarHBondContact O-N 2.8Å; R484-L489 HydrophobicContact CB-CD1 4.15Å; T487-L489 HydrophobicContact CG2-CD2 4.21Å; L489-D491 WeakPolarHBondContact CB-OD1 3.29Å
490N79.5Confident88.2Confident61 Ų6140.6 Ų40.633%0.32622%0.22SC..  trans-130.90.7-173.3-42.7-0.3000111.3Y488 G508 T519Y488-N490 PolarHBondContact O-OD1 3.07Å; N490-G508 WeakPolarHBondContact O-CA 3.23Å; N490-T519 HydrophobicContact CB-CG2 3.6Å; N490-T519 PolarHBondContact OD1-OG1 3.36Å
491D85.3Confident88Confident30 Ų3044.8 Ų44.816%0.1624%0.24CC..  trans-67.4153.5173.359.9-40.5000109.8R463 F480 G481 L489 S506R463-D491 IonicContact CZ-OD1 3.54Å; R463-D491 IonicContact CZ-OD2 3.56Å; R463-D491 IonicContact NH1-OD1 3.48Å; R463-D491 PolarHBondContact NH1-OD1 3.02Å; R463-D491 IonicContact NH1-OD2 3.46Å; R463-D491 PolarHBondContact NH1-OD2 3.4Å; R463-D491 IonicContact NH2-OD2 3.34Å; R463-D491 PolarHBondContact NH2-OD2 2.85Å; F480-D491 WeakPolarHBondContact CA-O 3.44Å; G481-D491 PolarHBondContact N-O 2.92Å; L489-D491 WeakPolarHBondContact CB-OD1 3.29Å; D491-S506 CarbonylContact C-O 3.59Å; D491-S506 WeakPolarHBondContact CA-O 3.48Å; D491-S506 WeakPolarHBondContact CB-O 3.3Å
492F89.6Confident88.1Confident6 Ų645 Ų453%0.02624%0.24CC..EExtended strand (participates in β ladder)trans-141.9121.8179.6-178.8-164.4000106.4Y478 V479 F480 I505 S506 I534 Y558 W565Y478-F492 AromaticContact CD1-CE2 3.73Å; Y478-F492 HydrophobicContact CD1-CE2 3.73Å; Y478-F492 AromaticContact CD1-CZ 3.84Å; Y478-F492 HydrophobicContact CD1-CZ 3.84Å; Y478-F492 HydrophobicContact CG-CE2 4.36Å; V479-F492 WeakPolarHBondContact O-CA 3.5Å; V479-F492 WeakPolarHBondContact O-CD2 3.49Å; F480-F492 HydrophobicContact CB-CB 3.98Å; F480-F492 HydrophobicContact CB-CD2 3.6Å; F480-F492 HydrophobicContact CB-CE2 4.25Å; F480-F492 HydrophobicContact CB-CG 3.87Å; F492-I505 HydrophobicContact CB-CB 4.46Å; F492-I505 HydrophobicContact CD1-CB 4.09Å; F492-I505 HydrophobicContact CD1-CD1 4.29Å; F492-I505 HydrophobicContact CD1-CG2 3.68Å; F492-I505 HydrophobicContact CD2-CD1 4.01Å; F492-I505 HydrophobicContact CE1-CD1 4.03Å; F492-I505 HydrophobicContact CE1-CG2 3.95Å; F492-I505 HydrophobicContact CE2-CD1 3.74Å; F492-I505 HydrophobicContact CG-CB 4.15Å; F492-I505 HydrophobicContact CG-CD1 4.29Å; F492-I505 HydrophobicContact CG-CG2 4.25Å; F492-I505 HydrophobicContact CZ-CD1 3.74Å; F492-I505 WeakPolarHBondContact O-CA 3.21Å; F492-I505 WeakPolarHBondContact O-CB 3.45Å; F492-I505 PolarHBondContact O-N 3.4Å; F492-S506 PolarHBondContact N-O 2.87Å; F492-S506 PolarHBondContact O-N 2.9Å; F492-I534 HydrophobicContact CE2-CD1 4.44Å; F492-I534 HydrophobicContact CZ-CD1 3.88Å; F492-Y558 AromaticContact CE1-CD1 3.6Å; F492-Y558 HydrophobicContact CE1-CD1 3.6Å; F492-Y558 AromaticContact CE1-CD2 3.96Å; F492-Y558 HydrophobicContact CE1-CD2 3.96Å; F492-Y558 AromaticContact CE1-CE1 3.46Å; F492-Y558 HydrophobicContact CE1-CE1 3.46Å; F492-Y558 VanDerWaalsContact CE1-CE1 3.46Å; F492-Y558 AromaticContact CE1-CE2 3.85Å; F492-Y558 HydrophobicContact CE1-CE2 3.85Å; F492-Y558 AromaticContact CE1-CG 3.83Å; F492-Y558 HydrophobicContact CE1-CG 3.83Å; F492-Y558 AromaticContact CE1-CZ 3.6Å; F492-Y558 AromaticContact CZ-CD1 3.8Å; F492-Y558 HydrophobicContact CZ-CD1 3.8Å; F492-Y558 AromaticContact CZ-CE1 3.71Å; F492-Y558 HydrophobicContact CZ-CE1 3.71Å; F492-Y558 HydrophobicContact CZ-CG 4.41Å; F492-W565 AromaticContact CD1-CZ2 3.95Å; F492-W565 HydrophobicContact CD1-CZ2 3.95Å; F492-W565 AromaticContact CE1-CZ2 3.84Å; F492-W565 HydrophobicContact CE1-CZ2 3.84Å
493F91.3Very high88Confident4 Ų450.5 Ų50.52%0.01827%0.266CS..EExtended strand (participates in β ladder)trans-139.7158.8179.362.1-88.8000110.5F411 I460 V479 V502 E503 I504F411-F493 HydrophobicContact CE1-CZ 4.24Å; I460-F493 HydrophobicContact CB-CE2 4.32Å; I460-F493 HydrophobicContact CB-CZ 4.21Å; I460-F493 HydrophobicContact CG2-CD2 4.31Å; I460-F493 HydrophobicContact CG2-CE2 3.67Å; I460-F493 HydrophobicContact CG2-CZ 4.03Å; V479-F493 HydrophobicContact CB-CD1 4.26Å; V479-F493 HydrophobicContact CB-CD2 4.24Å; V479-F493 HydrophobicContact CB-CE1 3.71Å; V479-F493 HydrophobicContact CB-CE2 3.71Å; V479-F493 HydrophobicContact CB-CZ 3.42Å; V479-F493 VanDerWaalsContact CB-CZ 3.42Å; V479-F493 HydrophobicContact CG1-CD1 4.49Å; V479-F493 HydrophobicContact CG1-CE1 3.6Å; V479-F493 HydrophobicContact CG1-CE2 4.28Å; V479-F493 HydrophobicContact CG1-CZ 3.49Å; V479-F493 VanDerWaalsContact CG1-CZ 3.49Å; V479-F493 HydrophobicContact CG2-CE2 3.9Å; V479-F493 HydrophobicContact CG2-CZ 3.91Å; V479-F493 PolarHBondContact N-O 2.92Å; V479-F493 PolarHBondContact O-N 3.37Å; F493-V502 HydrophobicContact CB-CG1 4.27Å; F493-V502 HydrophobicContact CD2-CG1 4.06Å; F493-V502 HydrophobicContact CG-CG1 4.43Å; F493-E503 CarbonylContact C-O 3.56Å; F493-E503 VanDerWaalsContact CA-O 3.24Å; F493-E503 WeakPolarHBondContact CA-O 3.28Å; F493-E503 WeakPolarHBondContact CB-O 3.26Å; F493-I504 HydrophobicContact CB-CD1 3.82Å
494S94.8Very high88Confident4 Ų453.1 Ų53.13%0.02828%0.28CS..EExtended strand (participates in β ladder)trans-108.5150.716766.90000110.1L477 V502 E503L477-S494 CarbonylContact O-C 3.53Å; L477-S494 WeakPolarHBondContact O-CA 3.5Å; S494-V502 WeakPolarHBondContact O-CA 3.28Å; S494-E503 PolarHBondContact N-O 3.25Å; S494-E503 PolarHBondContact O-N 2.97Å; S494-E503 WeakPolarHBondContact OG-CB 3.2Å
495Y95.8Very high87.9Confident3 Ų353.6 Ų53.61%0.01228%0.284CS..EExtended strand (participates in β ladder)trans-127.4115.1173.2172.3-99.8000109.2L435 L448 R449 C476 L477 V497 D500 H501 V502L435-Y495 HydrophobicContact CD2-CD1 3.73Å; L435-Y495 HydrophobicContact CD2-CE1 3.54Å; L435-Y495 HydrophobicContact CD2-CE2 4.46Å; L435-Y495 HydrophobicContact CD2-CG 4.25Å; L448-Y495 HydrophobicContact CD1-CE1 3.99Å; R449-Y495 HydrophobicContact CG-CE2 4.31Å; C476-Y495 CarbonylContact C-O 3.5Å; C476-Y495 VanDerWaalsContact CA-O 3.24Å; C476-Y495 WeakPolarHBondContact CA-O 3.36Å; L477-Y495 HydrophobicContact CD1-CD1 4Å; L477-Y495 PolarHBondContact N-O 3.48Å; L477-Y495 PolarHBondContact O-N 3.25Å; Y495-V497 HydrophobicContact CD1-CG1 4.03Å; Y495-V497 HydrophobicContact CE1-CB 4.41Å; Y495-V497 HydrophobicContact CE1-CG1 4.17Å; Y495-V497 PolarHBondContact O-N 2.89Å; Y495-D500 VanDerWaalsContact CE2-OD1 3.3Å; Y495-D500 WeakPolarHBondContact CE2-OD1 3.41Å; Y495-D500 PolarHBondContact OH-OD1 2.82Å; Y495-H501 WeakPolarHBondContact CA-O 3.41Å; Y495-V502 HydrophobicContact CD2-CG2 3.83Å
496D95Very high87.8Confident54 Ų5452.6 Ų52.629%0.28928%0.277SS..EExtended strand (participates in β ladder)trans-73113.1173.7177.2-3.3000109.4D498 G499 D500 H501D496-D498 VanDerWaalsContact C-N 3.28Å; D496-D498 PolarHBondContact O-N 3.45Å; D496-D498 PolarHBondContact OD1-N 2.99Å; D496-G499 VanDerWaalsContact CG-N 3.27Å; D496-G499 PolarHBondContact OD1-N 3.13Å; D496-G499 WeakPolarHBondContact OD2-CA 3.37Å; D496-G499 PolarHBondContact OD2-N 3.35Å; D496-D500 WeakPolarHBondContact O-CA 3.21Å; D496-D500 PolarHBondContact O-N 3.32Å; D496-H501 PolarHBondContact N-O 3.3Å
497V95.4Very high87.4Confident9 Ų945.9 Ų45.96%0.05525%0.251CS..THydrogen-bonded Turntrans-75.2-18.9-174.9-50.90000113.2Y409 F470 R475 L477 Y495Y409-V497 HydrophobicContact CD1-CG1 4.43Å; Y409-V497 HydrophobicContact CE1-CB 3.99Å; Y409-V497 HydrophobicContact CE1-CG1 3.96Å; Y409-V497 HydrophobicContact CE2-CG1 4.16Å; Y409-V497 WeakPolarHBondContact OH-CG2 3.34Å; F470-V497 HydrophobicContact CE2-CG1 4.14Å; F470-V497 HydrophobicContact CE2-CG2 4.11Å; R475-V497 HydrophobicContact CB-CG2 4.4Å; R475-V497 VanDerWaalsContact O-CG2 3.28Å; R475-V497 WeakPolarHBondContact O-CG2 3.23Å; R475-V497 PolarHBondContact O-N 3.46Å; L477-V497 HydrophobicContact CD1-CG1 4.1Å; L477-V497 HydrophobicContact CG-CG1 3.84Å; Y495-V497 HydrophobicContact CD1-CG1 4.03Å; Y495-V497 HydrophobicContact CE1-CB 4.41Å; Y495-V497 HydrophobicContact CE1-CG1 4.17Å; Y495-V497 PolarHBondContact O-N 2.89Å
498D93.4Very high86.7Confident88 Ų8842.6 Ų42.647%0.47123%0.234SC..THydrogen-bonded Turntrans-94.6-39.9179.7-72.9-4.4000110.9K405 R475 D496K405-D498 VanDerWaalsContact NZ-CG 3.31Å; K405-D498 IonicContact NZ-OD1 3.57Å; K405-D498 PolarHBondContact NZ-OD1 2.84Å; K405-D498 IonicContact NZ-OD2 3.18Å; K405-D498 PolarHBondContact NZ-OD2 3.5Å; K405-D498 VanDerWaalsContact NZ-OD2 3.07Å; R475-D498 WeakPolarHBondContact CD-OD2 3.47Å; R475-D498 IonicContact CZ-OD1 2.85Å; R475-D498 IonicContact CZ-OD2 3.66Å; R475-D498 VanDerWaalsContact NE-CG 3.33Å; R475-D498 IonicContact NE-OD1 3.27Å; R475-D498 PolarHBondContact NE-OD1 2.62Å; R475-D498 IonicContact NE-OD2 3.77Å; R475-D498 PolarHBondContact NE-OD2 3.35Å; R475-D498 IonicContact NH2-OD1 2.72Å; R475-D498 PolarHBondContact NH2-OD1 3.37Å; R475-D498 IonicContact NH2-OD2 2.87Å; D496-D498 VanDerWaalsContact C-N 3.28Å; D496-D498 PolarHBondContact O-N 3.45Å; D496-D498 PolarHBondContact OD1-N 2.99Å
499G90.8Very high85.9Confident49 Ų4942.6 Ų42.651%0.50524%0.24SC..THydrogen-bonded Turntrans-88.3-11.718000000115.8D496 H501D496-G499 VanDerWaalsContact CG-N 3.27Å; D496-G499 PolarHBondContact OD1-N 3.13Å; D496-G499 WeakPolarHBondContact OD2-CA 3.37Å; D496-G499 PolarHBondContact OD2-N 3.35Å; G499-H501 PolarHBondContact O-N 3.08Å
500D89.7Confident84.6Confident69 Ų6947.2 Ų47.237%0.36926%0.259SS..THydrogen-bonded Turntrans54.447.4-175.8-168.741.3000112.9R449 Y495 D496R449-D500 VanDerWaalsContact CZ-CG 3.41Å; R449-D500 IonicContact CZ-OD1 3.78Å; R449-D500 IonicContact CZ-OD2 3.58Å; R449-D500 VanDerWaalsContact CZ-OD2 3.29Å; R449-D500 IonicContact NE-OD1 2.79Å; R449-D500 IonicContact NH1-OD1 3.72Å; R449-D500 PolarHBondContact NH1-OD1 2.98Å; R449-D500 VanDerWaalsContact NH1-OD1 3.11Å; R449-D500 IonicContact NH1-OD2 2.84Å; R449-D500 PolarHBondContact NH1-OD2 3.01Å; R449-D500 VanDerWaalsContact NH2-CG 3.3Å; R449-D500 PolarHBondContact NH2-O 3.02Å; R449-D500 IonicContact NH2-OD1 3.75Å; R449-D500 PolarHBondContact NH2-OD1 3.03Å; R449-D500 VanDerWaalsContact NH2-OD1 3.15Å; R449-D500 IonicContact NH2-OD2 3.43Å; R449-D500 PolarHBondContact NH2-OD2 2.87Å; Y495-D500 VanDerWaalsContact CE2-OD1 3.3Å; Y495-D500 WeakPolarHBondContact CE2-OD1 3.41Å; Y495-D500 PolarHBondContact OH-OD1 2.82Å; D496-D500 WeakPolarHBondContact O-CA 3.21Å; D496-D500 PolarHBondContact O-N 3.32Å
501H87.4Confident83.1Confident98 Ų9852.7 Ų52.745%0.45428%0.28SS..EExtended strand (participates in β ladder)trans-126.3142.8-176.9-17955.7000111.7E458 Y495 D496 G499E458-H501 IonicContact OE1-CE1 2.69Å; E458-H501 IonicContact OE1-ND1 2.68Å; E458-H501 PolarHBondContact OE1-ND1 2.84Å; Y495-H501 WeakPolarHBondContact CA-O 3.41Å; D496-H501 PolarHBondContact N-O 3.3Å; G499-H501 PolarHBondContact O-N 3.08Å
502V89.3Confident81.4Confident6 Ų654.4 Ų54.44%0.03629%0.289CS..EExtended strand (participates in β ladder)trans-108.5125.6178.1179.50000109.8I460 F493 S494 Y495 I504I460-V502 HydrophobicContact CG2-CG1 4.38Å; I460-V502 HydrophobicContact CG2-CG2 3.81Å; F493-V502 HydrophobicContact CB-CG1 4.27Å; F493-V502 HydrophobicContact CD2-CG1 4.06Å; F493-V502 HydrophobicContact CG-CG1 4.43Å; S494-V502 WeakPolarHBondContact O-CA 3.28Å; Y495-V502 HydrophobicContact CD2-CG2 3.83Å; V502-I504 HydrophobicContact CG1-CD1 3.9Å
503E87.4Confident79.6Confident117 Ų11759 Ų5955%0.54732%0.322SS..EExtended strand (participates in β ladder)trans-110.8120171.5177-172.8-162.200109.8F493 S494 I505F493-E503 CarbonylContact C-O 3.56Å; F493-E503 VanDerWaalsContact CA-O 3.24Å; F493-E503 WeakPolarHBondContact CA-O 3.28Å; F493-E503 WeakPolarHBondContact CB-O 3.26Å; S494-E503 PolarHBondContact N-O 3.25Å; S494-E503 PolarHBondContact O-N 2.97Å; S494-E503 WeakPolarHBondContact OG-CB 3.2Å; E503-I505 PolarHBondContact O-N 2.88Å
504I86.4Confident77.7Confident85 Ų8560.8 Ų60.844%0.43634%0.341SS..EExtended strand (participates in β ladder)trans-81.9107.8177.2-54.2-58.8000109.6F493 V502 D507F493-I504 HydrophobicContact CB-CD1 3.82Å; V502-I504 HydrophobicContact CG1-CD1 3.9Å; I504-D507 HydrophobicContact CG2-CB 4.18Å
505I84.8Confident76.1Confident32 Ų3266.9 Ų66.916%0.16437%0.371CS..EExtended strand (participates in β ladder)trans-77.8-43.4177.2-60.4168.6000110.3Y478 F492 E503 Y558Y478-I505 HydrophobicContact CD1-CD1 3.78Å; Y478-I505 HydrophobicContact CE1-CD1 3.76Å; F492-I505 HydrophobicContact CB-CB 4.46Å; F492-I505 HydrophobicContact CD1-CB 4.09Å; F492-I505 HydrophobicContact CD1-CD1 4.29Å; F492-I505 HydrophobicContact CD1-CG2 3.68Å; F492-I505 HydrophobicContact CD2-CD1 4.01Å; F492-I505 HydrophobicContact CE1-CD1 4.03Å; F492-I505 HydrophobicContact CE1-CG2 3.95Å; F492-I505 HydrophobicContact CE2-CD1 3.74Å; F492-I505 HydrophobicContact CG-CB 4.15Å; F492-I505 HydrophobicContact CG-CD1 4.29Å; F492-I505 HydrophobicContact CG-CG2 4.25Å; F492-I505 HydrophobicContact CZ-CD1 3.74Å; F492-I505 WeakPolarHBondContact O-CA 3.21Å; F492-I505 WeakPolarHBondContact O-CB 3.45Å; F492-I505 PolarHBondContact O-N 3.4Å; E503-I505 PolarHBondContact O-N 2.88Å; I505-Y558 HydrophobicContact CG2-CE2 4.33Å; I505-Y558 WeakPolarHBondContact CG2-OH 3.37Å
506S81.3Confident74.9Confident31 Ų3169.2 Ų69.222%0.21739%0.386CS..EExtended strand (participates in β ladder)trans-148.8136.6174.5177.50000108.9D491 F492 G508D491-S506 CarbonylContact C-O 3.59Å; D491-S506 WeakPolarHBondContact CA-O 3.48Å; D491-S506 WeakPolarHBondContact CB-O 3.3Å; F492-S506 PolarHBondContact N-O 2.87Å; F492-S506 PolarHBondContact O-N 2.9Å; S506-G508 VanDerWaalsContact C-N 3.35Å; S506-G508 PolarHBondContact OG-N 2.97Å
507D73.6Confident73.9Confident56 Ų5667.1 Ų67.130%0.29938%0.375SS..  trans-95.57.6176.173.3-21.1000112.9K101 I504 T509K101-D507 WeakPolarHBondContact CD-OD2 3.4Å; K101-D507 WeakPolarHBondContact CE-OD2 3.45Å; K101-D507 IonicContact NZ-OD1 2.71Å; K101-D507 PolarHBondContact NZ-OD1 3.32Å; K101-D507 IonicContact NZ-OD2 3.8Å; K101-D507 PolarHBondContact NZ-OD2 3.41Å; I504-D507 HydrophobicContact CG2-CB 4.18Å; D507-T509 VanDerWaalsContact C-N 3.28Å; D507-T509 VanDerWaalsContact CG-OG1 3.28Å; D507-T509 PolarHBondContact O-N 2.96Å; D507-T509 WeakPolarHBondContact OD1-CB 3.47Å; D507-T509 PolarHBondContact OD1-N 3.22Å; D507-T509 VanDerWaalsContact OD1-N 3.11Å; D507-T509 PolarHBondContact OD1-OG1 3.25Å; D507-T509 VanDerWaalsContact OD2-CG2 3.25Å; D507-T509 WeakPolarHBondContact OD2-CG2 3.28Å; D507-T509 PolarHBondContact OD2-OG1 3.11Å
508G68.3Low72.5Confident17 Ų1770 Ų7018%0.17539%0.388CS..SBendtrans77.12.5177.100000116.7N490 S506N490-G508 WeakPolarHBondContact O-CA 3.23Å; S506-G508 VanDerWaalsContact C-N 3.35Å; S506-G508 PolarHBondContact OG-N 2.97Å
509T61.7Low71Confident57 Ų5767.8 Ų67.835%0.3538%0.378SS..  trans-82.4-19.1-17959.30000114K101 D507 K511K101-T509 HydrophobicContact CD-CG2 4.12Å; K101-T509 WeakPolarHBondContact CD-OG1 3.46Å; K101-T509 VanDerWaalsContact CG-OG1 3.23Å; K101-T509 WeakPolarHBondContact CG-OG1 3.49Å; K101-T509 PolarHBondContact NZ-OG1 3.16Å; D507-T509 VanDerWaalsContact C-N 3.28Å; D507-T509 VanDerWaalsContact CG-OG1 3.28Å; D507-T509 PolarHBondContact O-N 2.96Å; D507-T509 WeakPolarHBondContact OD1-CB 3.47Å; D507-T509 PolarHBondContact OD1-N 3.22Å; D507-T509 VanDerWaalsContact OD1-N 3.11Å; D507-T509 PolarHBondContact OD1-OG1 3.25Å; D507-T509 VanDerWaalsContact OD2-CG2 3.25Å; D507-T509 WeakPolarHBondContact OD2-CG2 3.28Å; D507-T509 PolarHBondContact OD2-OG1 3.11Å; T509-K511 PolarHBondContact O-N 3.21Å
510K55.3Low69.7Low115 Ų11565.6 Ų65.650%0.536%0.356SS..  trans-67.8100.6175.4-69.3-174.4179.9177.70109.6D512K510-D512 PolarHBondContact O-N 3.49Å
511K49.6Very low68.1Low177 Ų17765.3 Ų65.377%0.7735%0.351SS*.  trans-73.742.6168.9-70.6-170.7177.2-1760112.3T509 S513T509-K511 PolarHBondContact O-N 3.21Å; K511-S513 VanDerWaalsContact C-N 3.27Å; K511-S513 PolarHBondContact O-N 2.94Å
512D49.1Very low66.9Low65 Ų6561 Ų6135%0.34833%0.332SS..  trans-90.370.7171.2-76.7-35.6000108.4K510 G514 M515K510-D512 PolarHBondContact O-N 3.49Å; D512-G514 PolarHBondContact O-N 3.39Å; D512-M515 HydrophobicContact CB-CB 4.34Å; D512-M515 PolarHBondContact O-N 3.45Å
513S50.8Low66.5Low103 Ų10360.8 Ų60.872%0.7233%0.33SS*.THydrogen-bonded Turntrans-57-11.5-176.9510000114.7K511K511-S513 VanDerWaalsContact C-N 3.27Å; K511-S513 PolarHBondContact O-N 2.94Å
514G52Low66.6Low41 Ų4156.5 Ų56.542%0.42331%0.309SS..THydrogen-bonded Turntrans-91.6-19.817600000115.5D512D512-G514 PolarHBondContact O-N 3.39Å
515M61.8Low67Low133 Ų13353.2 Ų53.266%0.65529%0.294SS*.THydrogen-bonded Turntrans-114.10.1-166.2-65.2-77.511500114D512 W565D512-M515 HydrophobicContact CB-CB 4.34Å; D512-M515 PolarHBondContact O-N 3.45Å; M515-W565 WeakPolarHBondContact O-CB 3.43Å
516V71Confident67.6Low52 Ų5252.2 Ų52.232%0.31529%0.29SS..SBendtrans-137.3154.9177.6-64.50000110.5M518 W556 W565V516-M518 PolarHBondContact O-N 2.97Å; V516-W556 VanDerWaalsContact O-CH2 3.27Å; V516-W556 WeakPolarHBondContact O-CH2 3.33Å; V516-W556 WeakPolarHBondContact O-CZ2 3.42Å; V516-W565 HydrophobicContact CG1-CG 4.26Å
517P72.5Confident68.3Low10 Ų1051.9 Ų51.97%0.06529%0.285CS..PPolyproline II helixtrans-55.4136.4173.5-17.225.2000111T519 W556 W565P517-T519 PolarHBondContact O-N 3.3Å; P517-W556 HydrophobicContact CB-CB 4.42Å; P517-W556 HydrophobicContact CB-CD2 4.17Å; P517-W556 HydrophobicContact CB-CG 3.91Å; P517-W556 HydrophobicContact CG-CB 3.72Å; P517-W556 HydrophobicContact CG-CD2 3.89Å; P517-W556 HydrophobicContact CG-CE3 4.32Å; P517-W556 HydrophobicContact CG-CG 3.62Å; P517-W565 HydrophobicContact CG-CD2 4.01Å; P517-W565 HydrophobicContact CG-CE3 3.5Å; P517-W565 HydrophobicContact CG-CH2 3.77Å; P517-W565 HydrophobicContact CG-CZ2 4.24Å; P517-W565 HydrophobicContact CG-CZ3 3.37Å
518M66.9Low69.4Low68 Ų6849.2 Ų49.234%0.33527%0.271SS..PPolyproline II helixtrans-64.8128.3172-69.7-169.1-64.500109.4V516 G520 S538 S541V516-M518 PolarHBondContact O-N 2.97Å; M518-G520 PolarHBondContact O-N 3.35Å; M518-S538 PolarHBondContact O-OG 2.89Å; M518-S541 WeakPolarHBondContact CE-OG 3.31Å; M518-S541 PolarHBondContact SD-OG 3.07Å
519T61.6Low70.5Confident42 Ų4248.7 Ų48.726%0.25827%0.265SS..PPolyproline II helixtrans-75.1117.5-178.9470000110.4N490 P517N490-T519 HydrophobicContact CB-CG2 3.6Å; N490-T519 PolarHBondContact OD1-OG1 3.36Å; P517-T519 PolarHBondContact O-N 3.3Å
520G63.4Low71.9Confident3 Ų351.1 Ų51.13%0.03127%0.272CS..  trans-133.3169.7178.300000112.4M518 T522 Q523 L540M518-G520 PolarHBondContact O-N 3.35Å; G520-T522 VanDerWaalsContact C-N 3.26Å; G520-T522 PolarHBondContact O-N 3.35Å; G520-Q523 VanDerWaalsContact N-NE2 3.1Å; G520-Q523 VanDerWaalsContact O-CG 3.23Å; G520-Q523 WeakPolarHBondContact O-CG 3.35Å; G520-Q523 PolarHBondContact O-NE2 3.1Å; G520-L540 WeakPolarHBondContact CA-O 3.16Å
521F55.2Low73.6Confident63 Ų6348.8 Ų48.828%0.27627%0.265SS..THydrogen-bonded Turntrans-70.7-17.2-177.9-172.5-120.8000113.8I464 Q483 Y488 L540I464-F521 HydrophobicContact CD1-CE2 3.55Å; I464-F521 HydrophobicContact CD1-CZ 4.03Å; I464-F521 HydrophobicContact CG1-CE2 3.87Å; Q483-F521 HydrophobicContact CB-CD2 4.03Å; Q483-F521 HydrophobicContact CB-CE2 4.44Å; Y488-F521 HydrophobicContact CE1-CB 4.02Å; F521-L540 HydrophobicContact CB-CD2 4.45Å
522T62.8Low75.7Confident8 Ų842.5 Ų42.55%0.04924%0.24CC..THydrogen-bonded Turntrans-134.126.2-157.959.40000114.2G520 L540 F592G520-T522 VanDerWaalsContact C-N 3.26Å; G520-T522 PolarHBondContact O-N 3.35Å; T522-L540 HydrophobicContact CG2-CD2 4.29Å; T522-L540 WeakPolarHBondContact OG1-CB 3.06Å; T522-F592 VanDerWaalsContact CB-CB 3.47Å; T522-F592 HydrophobicContact CG2-CB 3.44Å; T522-F592 VanDerWaalsContact CG2-CB 3.44Å; T522-F592 HydrophobicContact CG2-CD2 4.07Å; T522-F592 HydrophobicContact CG2-CG 4.08Å; T522-F592 WeakPolarHBondContact OG1-CB 3.39Å
523Q80.8Confident77.9Confident1 Ų139.9 Ų39.91%0.00523%0.225CC..  trans-69.3148.6178-4.1-17319.200110.2G520 V536G520-Q523 VanDerWaalsContact N-NE2 3.1Å; G520-Q523 VanDerWaalsContact O-CG 3.23Å; G520-Q523 WeakPolarHBondContact O-CG 3.35Å; G520-Q523 PolarHBondContact O-NE2 3.1Å; Q523-V536 HydrophobicContact CB-CG1 4.44Å
524R90.9Very high80Confident28 Ų2835 Ų3511%0.10619%0.191CC..EExtended strand (participates in β ladder)trans-125.3139.8170.2-71.1-66.4179.6-92.6-0.3108.7L537 H594 L596R524-L537 PolarHBondContact N-O 3.12Å; R524-L537 PolarHBondContact O-N 3.41Å; R524-H594 PolarHBondContact NE-O 3.29Å; R524-L596 HydrophobicContact CB-CB 3.95Å; R524-L596 HydrophobicContact CB-CD2 4.49Å; R524-L596 HydrophobicContact CG-CB 4.49Å
525A94Very high82.1Confident15 Ų1533.1 Ų33.112%0.12417%0.171CC..EExtended strand (participates in β ladder)trans-133.1155.1179.800000111.1C467 L469 F480 H535 V536C467-A525 HydrophobicContact CB-CB 3.77Å; L469-A525 HydrophobicContact CD1-CB 3.74Å; L469-A525 HydrophobicContact CD2-CB 4.47Å; L469-A525 HydrophobicContact CG-CB 4.37Å; F480-A525 HydrophobicContact CE1-CB 3.49Å; F480-A525 VanDerWaalsContact CE1-CB 3.49Å; F480-A525 HydrophobicContact CZ-CB 3.65Å; A525-H535 CarbonylContact C-O 3.58Å; A525-H535 WeakPolarHBondContact CA-O 3.27Å; A525-V536 HydrophobicContact CB-CG2 4.06Å
526T96.4Very high83.6Confident12 Ų1226.8 Ų26.87%0.07414%0.14CC..EExtended strand (participates in β ladder)trans-140.1162.2175.256.10000107.8H535 L596 H605T526-H535 PolarHBondContact N-O 2.87Å; T526-H535 PolarHBondContact O-N 3.03Å; T526-L596 HydrophobicContact CG2-CD2 4.36Å; T526-L596 HydrophobicContact CG2-CG 4.43Å; T526-H605 PolarHBondContact OG1-CD2 3.08Å; T526-H605 PolarHBondContact OG1-NE2 2.8Å
527I96.8Very high84.5Confident23 Ų2324.3 Ų24.312%0.11813%0.125CC..EExtended strand (participates in β ladder)trans-128.2140.2-178-167164.8000109.8L469 H471 Y478 E533 I534 I560L469-I527 HydrophobicContact CB-CB 4.25Å; L469-I527 HydrophobicContact CB-CD1 4.39Å; L469-I527 HydrophobicContact CB-CG2 4.3Å; L469-I527 HydrophobicContact CD1-CB 4.17Å; H471-I527 HydrophobicContact CB-CD1 3.82Å; Y478-I527 HydrophobicContact CD2-CD1 4.36Å; I527-E533 WeakPolarHBondContact CA-O 3.4Å; I527-I534 HydrophobicContact CB-CG1 4.43Å; I527-I534 HydrophobicContact CD1-CD1 4.39Å; I527-I534 HydrophobicContact CD1-CG1 3.9Å; I527-I534 HydrophobicContact CG1-CG1 3.91Å; I527-I560 HydrophobicContact CD1-CD1 4.22Å
528D95.9Very high84.9Confident0 Ų024 Ų240%012%0.123CC..EExtended strand (participates in β ladder)trans-108.3102165.3-172-36.7000108.5E530 L531 N532 E533 Y598 K603D528-E530 PolarHBondContact O-N 3.18Å; D528-E530 WeakPolarHBondContact OD1-CA 3.35Å; D528-E530 WeakPolarHBondContact OD1-CB 3.47Å; D528-E530 PolarHBondContact OD1-N 3.32Å; D528-L531 HydrophobicContact CB-CB 4.12Å; D528-L531 HydrophobicContact CB-CD1 4.42Å; D528-L531 HydrophobicContact CB-CG 4.41Å; D528-L531 PolarHBondContact O-N 2.83Å; D528-L531 PolarHBondContact OD1-N 3.46Å; D528-L531 WeakPolarHBondContact OD2-CD1 3.19Å; D528-L531 WeakPolarHBondContact OD2-CG 3.45Å; D528-N532 WeakPolarHBondContact O-CA 3.28Å; D528-N532 PolarHBondContact O-N 3.45Å; D528-E533 PolarHBondContact N-O 3.08Å; D528-E533 PolarHBondContact O-N 3.03Å; D528-E533 VanDerWaalsContact O-N 3.14Å; D528-Y598 HydrophobicContact CB-CE1 3.8Å; D528-Y598 PolarHBondContact OD2-OH 3.41Å; D528-K603 IonicContact OD1-NZ 3.61Å; D528-K603 PolarHBondContact OD1-NZ 3.41Å; D528-K603 WeakPolarHBondContact OD2-CD 3.49Å; D528-K603 VanDerWaalsContact OD2-CE 3.3Å; D528-K603 WeakPolarHBondContact OD2-CE 3.24Å; D528-K603 IonicContact OD2-NZ 3.33Å; D528-K603 PolarHBondContact OD2-NZ 2.89Å
529P92Very high84.9Confident6 Ų620.7 Ų20.74%0.03911%0.107CC..THydrogen-bonded Turntrans-72.2-13.6-178.430.3-35000113.3T472 R473 E600T472-P529 WeakPolarHBondContact OG1-CB 3.26Å; R473-P529 WeakPolarHBondContact CD-O 3.2Å; P529-E600 WeakPolarHBondContact CD-OE2 3.09Å; P529-E600 WeakPolarHBondContact CG-OE2 3.32Å
530E92Very high85.2Confident108 Ų10819.6 Ų19.651%0.50510%0.099SC..THydrogen-bonded Turntrans-82.3-41.4175.5-51.2-165.9124.500111.6R473 D528 N532 K603R473-E530 IonicContact NH2-OE1 3.62Å; D528-E530 PolarHBondContact O-N 3.18Å; D528-E530 WeakPolarHBondContact OD1-CA 3.35Å; D528-E530 WeakPolarHBondContact OD1-CB 3.47Å; D528-E530 PolarHBondContact OD1-N 3.32Å; E530-N532 VanDerWaalsContact C-N 3.34Å; E530-K603 IonicContact OE2-NZ 2.89Å; E530-K603 PolarHBondContact OE2-NZ 2.95Å
531L91Very high84.9Confident66 Ų6620 Ų2035%0.34610%0.102SC..THydrogen-bonded Turntrans-81.7-13.9176.8-61.4-179.8000112.8D528 E533D528-L531 HydrophobicContact CB-CB 4.12Å; D528-L531 HydrophobicContact CB-CD1 4.42Å; D528-L531 HydrophobicContact CB-CG 4.41Å; D528-L531 PolarHBondContact O-N 2.83Å; D528-L531 PolarHBondContact OD1-N 3.46Å; D528-L531 WeakPolarHBondContact OD2-CD1 3.19Å; D528-L531 WeakPolarHBondContact OD2-CG 3.45Å; L531-E533 VanDerWaalsContact C-N 3.28Å; L531-E533 HydrophobicContact CB-CB 4.14Å; L531-E533 HydrophobicContact CB-CG 3.89Å
532N93.4Very high85Confident45 Ų4521.3 Ų21.324%0.24111%0.107CC..THydrogen-bonded Turntrans57.241.6-168.8-68.2-65.4000111.8H471 D528 E530 I560H471-N532 PolarHBondContact CE1-OD1 2.99Å; H471-N532 PolarHBondContact NE2-OD1 3.32Å; D528-N532 WeakPolarHBondContact O-CA 3.28Å; D528-N532 PolarHBondContact O-N 3.45Å; E530-N532 VanDerWaalsContact C-N 3.34Å; N532-I560 HydrophobicContact CB-CB 4.26Å; N532-I560 WeakPolarHBondContact O-CB 3.24Å; N532-I560 WeakPolarHBondContact O-CG1 3.48Å; N532-I560 PolarHBondContact O-N 3.33Å
533E94.6Very high84.3Confident10 Ų1024.7 Ų24.75%0.04713%0.125CC..EExtended strand (participates in β ladder)trans-119.6134.5-175.3-71.4178.5175.600110.9Y241 I527 D528 L531 H535 I557 Y558 R632Y241-E533 PolarHBondContact OH-OE2 3.31Å; I527-E533 WeakPolarHBondContact CA-O 3.4Å; D528-E533 PolarHBondContact N-O 3.08Å; D528-E533 PolarHBondContact O-N 3.03Å; D528-E533 VanDerWaalsContact O-N 3.14Å; L531-E533 VanDerWaalsContact C-N 3.28Å; L531-E533 HydrophobicContact CB-CB 4.14Å; L531-E533 HydrophobicContact CB-CG 3.89Å; E533-H535 IonicContact OE2-NE2 3.12Å; E533-H535 PolarHBondContact OE2-NE2 3.18Å; E533-I557 HydrophobicContact CB-CG2 3.97Å; E533-I557 HydrophobicContact CG-CG2 3.95Å; E533-Y558 CarbonylContact C-O 3.53Å; E533-Y558 WeakPolarHBondContact CA-O 3.46Å; E533-R632 IonicContact OE1-CZ 2.92Å; E533-R632 IonicContact OE1-NH1 2.79Å; E533-R632 IonicContact OE1-NH2 2.71Å; E533-R632 PolarHBondContact OE1-NH2 3.48Å; E533-R632 VanDerWaalsContact OE1-NH2 3.08Å
534I95.9Very high82.7Confident0 Ų033.4 Ų33.40%016%0.163CC..EExtended strand (participates in β ladder)trans-103.9123.7168.4-68.8165.9000108.7L469 Y478 F480 F492 I527 V536 I557 Y558 I560L469-I534 HydrophobicContact CD1-CB 4.37Å; L469-I534 HydrophobicContact CD1-CD1 4.44Å; L469-I534 HydrophobicContact CD1-CG1 4.07Å; L469-I534 HydrophobicContact CD1-CG2 3.53Å; Y478-I534 HydrophobicContact CD1-CD1 3.88Å; Y478-I534 HydrophobicContact CD2-CD1 4.4Å; Y478-I534 HydrophobicContact CG-CD1 3.76Å; F480-I534 HydrophobicContact CE1-CG2 4.39Å; F492-I534 HydrophobicContact CE2-CD1 4.44Å; F492-I534 HydrophobicContact CZ-CD1 3.88Å; I527-I534 HydrophobicContact CB-CG1 4.43Å; I527-I534 HydrophobicContact CD1-CD1 4.39Å; I527-I534 HydrophobicContact CD1-CG1 3.9Å; I527-I534 HydrophobicContact CG1-CG1 3.91Å; I534-V536 HydrophobicContact CG2-CG2 3.95Å; I534-I557 CarbonylContact O-C 3.59Å; I534-I557 WeakPolarHBondContact O-CA 3.18Å; I534-Y558 HydrophobicContact CD1-CD1 4.19Å; I534-Y558 PolarHBondContact N-O 2.88Å; I534-Y558 PolarHBondContact O-N 3.33Å; I534-I560 HydrophobicContact CD1-CD1 4.1Å; I534-I560 HydrophobicContact CD1-CG1 4.21Å; I534-I560 HydrophobicContact CG1-CD1 4.09Å; I534-I560 HydrophobicContact CG1-CG1 4.36Å
535H95.3Very high80.6Confident2 Ų239.4 Ų39.41%0.00920%0.197CC..EExtended strand (participates in β ladder)trans-101.6126.1-179.5-58.3151.9000110.2A525 T526 E533 F555 W556 H605A525-H535 CarbonylContact C-O 3.58Å; A525-H535 WeakPolarHBondContact CA-O 3.27Å; T526-H535 PolarHBondContact N-O 2.87Å; T526-H535 PolarHBondContact O-N 3.03Å; E533-H535 IonicContact OE2-NE2 3.12Å; E533-H535 PolarHBondContact OE2-NE2 3.18Å; H535-F555 HydrophobicContact CB-CE1 3.92Å; H535-F555 HydrophobicContact CB-CZ 3.72Å; H535-W556 WeakPolarHBondContact CA-O 3.45Å; H535-H605 AromaticContact CG-CE1 3.96Å; H535-H605 AromaticContact CG-NE2 3.88Å; H535-H605 AromaticContact ND1-CE1 3.27Å; H535-H605 PolarHBondContact ND1-CE1 3.18Å; H535-H605 VanDerWaalsContact ND1-CE1 3.27Å; H535-H605 AromaticContact ND1-NE2 3.31Å; H535-H605 PolarHBondContact ND1-NE2 2.99Å
536V92.8Very high78.4Confident0 Ų044.6 Ų44.60%022%0.217CC..EExtended strand (participates in β ladder)trans-124.7118.6-176.2-177.50000110.7F480 Q523 A525 I534 F555 W556 W565F480-V536 HydrophobicContact CE1-CG2 3.77Å; F480-V536 HydrophobicContact CE2-CG1 3.89Å; F480-V536 HydrophobicContact CE2-CG2 4.09Å; F480-V536 HydrophobicContact CZ-CB 4.11Å; F480-V536 HydrophobicContact CZ-CG1 3.62Å; F480-V536 HydrophobicContact CZ-CG2 3.33Å; Q523-V536 HydrophobicContact CB-CG1 4.44Å; A525-V536 HydrophobicContact CB-CG2 4.06Å; I534-V536 HydrophobicContact CG2-CG2 3.95Å; V536-F555 CarbonylContact O-C 3.5Å; V536-F555 VanDerWaalsContact O-CA 3.3Å; V536-F555 WeakPolarHBondContact O-CA 3.35Å; V536-W556 HydrophobicContact CB-CB 4.41Å; V536-W556 PolarHBondContact N-O 3.3Å; V536-W556 PolarHBondContact O-N 3.5Å; V536-W565 HydrophobicContact CB-CZ3 4.37Å; V536-W565 HydrophobicContact CG2-CH2 3.73Å; V536-W565 HydrophobicContact CG2-CZ3 3.76Å
537L90.6Very high75.9Confident1 Ų156.2 Ų56.21%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-98.7113166.1179.462.1000109.1W245 R524 N553 F555 L596 L607W245-L537 HydrophobicContact CH2-CD2 4.47Å; R524-L537 PolarHBondContact N-O 3.12Å; R524-L537 PolarHBondContact O-N 3.41Å; L537-N553 HydrophobicContact CD1-CB 4.46Å; L537-F555 HydrophobicContact CB-CD2 3.93Å; L537-F555 HydrophobicContact CB-CE2 4.19Å; L537-F555 HydrophobicContact CD1-CD2 4.06Å; L537-L596 HydrophobicContact CB-CD2 3.96Å; L537-L596 HydrophobicContact CD2-CD1 4.41Å; L537-L596 HydrophobicContact CD2-CD2 4.37Å; L537-L607 HydrophobicContact CD2-CD1 3.48Å; L537-L607 VanDerWaalsContact CD2-CD1 3.48Å
538S81.8Confident73.7Confident2 Ų261.5 Ų61.51%0.01428%0.283CS..EExtended strand (participates in β ladder)trans-103.4127174.4-176.30000109.5M518 N553 S554M518-S538 PolarHBondContact O-OG 2.89Å; S538-N553 CarbonylContact O-C 3.51Å; S538-N553 VanDerWaalsContact O-CA 3.3Å; S538-N553 WeakPolarHBondContact O-CA 3.47Å; S538-S554 PolarHBondContact N-O 3.22Å; S538-S554 PolarHBondContact O-N 3.27Å
539G66.7Low71.9Confident0 Ų066.8 Ų66.80%031%0.308CS..EExtended strand (participates in β ladder)trans-114.9-19.6-174.200000115.5V551 R552 R591G539-V551 CarbonylContact O-C 3.51Å; G539-V551 WeakPolarHBondContact O-CA 3.36Å; G539-V551 WeakPolarHBondContact O-CG1 3.48Å; G539-R552 CarbonylContact C-O 3.52Å; G539-R552 WeakPolarHBondContact CA-O 3.34Å; G539-R552 CarbonylContact O-C 3.46Å; G539-R552 PolarHBondContact O-N 2.79Å; G539-R552 VanDerWaalsContact O-O 3.1Å; G539-R591 WeakPolarHBondContact CA-O 3.47Å
540L66.4Low70.4Confident19 Ų1968.3 Ų68.310%0.09932%0.316CS..EExtended strand (participates in β ladder)trans-129120.7178.6-176.870.9000109.1G520 F521 T522 E549 V551G520-L540 WeakPolarHBondContact CA-O 3.16Å; F521-L540 HydrophobicContact CB-CD2 4.45Å; T522-L540 HydrophobicContact CG2-CD2 4.29Å; T522-L540 WeakPolarHBondContact OG1-CB 3.06Å; L540-E549 HydrophobicContact CD1-CB 4.41Å; L540-V551 HydrophobicContact CD1-CG2 3.81Å
541S58.8Low69.3Low12 Ų1264 Ų648%0.08430%0.297CS..EExtended strand (participates in β ladder)trans-117.4129.5170-177.10000110.1M518 N550M518-S541 WeakPolarHBondContact CE-OG 3.31Å; M518-S541 PolarHBondContact SD-OG 3.07Å; S541-N550 PolarHBondContact N-O 3.48Å; S541-N550 PolarHBondContact O-N 2.99Å; S541-N550 VanDerWaalsContact O-O 3.05Å
542K55.3Low68.5Low90 Ų9064.9 Ų64.939%0.39130%0.296SS..EExtended strand (participates in β ladder)trans-102.9106.8171.9-163.3166.8-171.8154.70107.8Y488 K544 E549Y488-K542 HydrophobicContact CE2-CD 4.29Å; K542-K544 PolarHBondContact O-N 2.95Å; K542-E549 HydrophobicContact CD-CG 4.17Å; K542-E549 HydrophobicContact CG-CG 4.33Å; K542-E549 IonicContact NZ-OE1 2.77Å; K542-E549 PolarHBondContact NZ-OE1 3.42Å
543D50Low67.8Low78 Ų7862.9 Ų62.942%0.41729%0.285SS..  trans-70.4123.4173.5-159.2-14.2000108.1D545 K546D543-D545 PolarHBondContact O-N 3.27Å; D543-K546 HydrophobicContact CB-CB 4.32Å; D543-K546 PolarHBondContact O-N 2.91Å
544K46.4Very low67.3Low185 Ų18562.6 Ų62.680%0.80428%0.284SS*.THydrogen-bonded Turntrans-63.8-24.1-176-81.3-174.4176.3178.40112.1K542K542-K544 PolarHBondContact O-N 2.95Å
545D45.6Very low67Low154 Ų15462.6 Ų62.682%0.82428%0.284SS*.THydrogen-bonded Turntrans-92.4-13.6-175.2-62.8-32000113.3D543D543-D545 PolarHBondContact O-N 3.27Å
546K48.2Very low66.8Low123 Ų12362.6 Ų62.654%0.53528%0.284SS..  trans-116.5131.3176.7-63.7-177-179.6-179.80110.1D543 E548D543-K546 HydrophobicContact CB-CB 4.32Å; D543-K546 PolarHBondContact O-N 2.91Å; K546-E548 PolarHBondContact O-N 3.46Å; K546-E548 VanDerWaalsContact O-N 3.1Å
547R45Very low66.8Low256 Ų25662.8 Ų62.897%0.96629%0.285SS*.SBendtrans-68-6.1176.8-75.1-176.3178.7-174.70.1113.7
548E50.5Low66.8Low134 Ų13463 Ų6363%0.62629%0.286SS*.SBendtrans-93.3126-176.9-67.8177.9171.800111.3K546 N550K546-E548 PolarHBondContact O-N 3.46Å; K546-E548 VanDerWaalsContact O-N 3.1Å; E548-N550 PolarHBondContact O-N 2.98Å
549E56.7Low67.2Low112 Ų11263.9 Ų63.952%0.52329%0.29SS..EExtended strand (participates in β ladder)trans-76.1112.6170.9-69.5179.9176.300108.5L540 K542L540-E549 HydrophobicContact CD1-CB 4.41Å; K542-E549 HydrophobicContact CD-CG 4.17Å; K542-E549 HydrophobicContact CG-CG 4.33Å; K542-E549 IonicContact NZ-OE1 2.77Å; K542-E549 PolarHBondContact NZ-OE1 3.42Å
550N62.4Low68.3Low38 Ų3865 Ų6520%0.20330%0.296CS..EExtended strand (participates in β ladder)trans-103.7111179-78-39.2000109.7S541 E548 R552S541-N550 PolarHBondContact N-O 3.48Å; S541-N550 PolarHBondContact O-N 2.99Å; S541-N550 VanDerWaalsContact O-O 3.05Å; E548-N550 PolarHBondContact O-N 2.98Å; N550-R552 PolarHBondContact O-N 3.4Å
551V66.9Low69.2Low17 Ų1768.1 Ų68.110%0.10332%0.324CS..EExtended strand (participates in β ladder)trans-72.2116.1171.5-1650000107.9G539 L540 P590 R591G539-V551 CarbonylContact O-C 3.51Å; G539-V551 WeakPolarHBondContact O-CA 3.36Å; G539-V551 WeakPolarHBondContact O-CG1 3.48Å; L540-V551 HydrophobicContact CD1-CG2 3.81Å; V551-P590 VanDerWaalsContact C-CB 3.49Å; V551-P590 HydrophobicContact CB-CB 3.99Å; V551-P590 HydrophobicContact CG1-CB 3.55Å; V551-P590 VanDerWaalsContact O-CB 3.24Å; V551-P590 WeakPolarHBondContact O-CB 3.41Å; V551-R591 VanDerWaalsContact CG1-N 3.27Å
552R74.3Confident70.2Confident85 Ų8573.9 Ų73.932%0.32134%0.344SS..EExtended strand (participates in β ladder)trans-138.8134.5180-67.7-173.1179.8-177.5-2.6109.2G539 N550G539-R552 CarbonylContact C-O 3.52Å; G539-R552 WeakPolarHBondContact CA-O 3.34Å; G539-R552 CarbonylContact O-C 3.46Å; G539-R552 PolarHBondContact O-N 2.79Å; G539-R552 VanDerWaalsContact O-O 3.1Å; N550-R552 PolarHBondContact O-N 3.4Å
553N79.4Confident71.4Confident2 Ų274.2 Ų74.21%0.01135%0.35CS..EExtended strand (participates in β ladder)trans-84.6131.7170.9-74.1-14.1000109.8L537 S538 N571 P588 C589 P590L537-N553 HydrophobicContact CD1-CB 4.46Å; S538-N553 CarbonylContact O-C 3.51Å; S538-N553 VanDerWaalsContact O-CA 3.3Å; S538-N553 WeakPolarHBondContact O-CA 3.47Å; N553-N571 PolarHBondContact O-N 3.49Å; N553-P588 PolarHBondContact ND2-O 3.01Å; N553-C589 PolarHBondContact ND2-O 3.43Å; N553-P590 WeakPolarHBondContact OD1-CA 3.44Å
554S85.3Confident72.9Confident4 Ų473.7 Ų73.73%0.02835%0.348CS..EExtended strand (participates in β ladder)trans-141142.216462.70000109.4S538 W556 Y569S538-S554 PolarHBondContact N-O 3.22Å; S538-S554 PolarHBondContact O-N 3.27Å; S554-W556 PolarHBondContact OG-NE1 3.17Å; S554-W556 VanDerWaalsContact OG-NE1 3.1Å; S554-Y569 VanDerWaalsContact CA-O 3.29Å; S554-Y569 WeakPolarHBondContact CA-O 3.3Å
555F89Confident74.8Confident0 Ų067.2 Ų67.20%032%0.318CS..EExtended strand (participates in β ladder)trans-119.9130.1179.6-160.4-78.2000109.9H535 V536 L537 I557 V568 Y569 H605 L628 L630H535-F555 HydrophobicContact CB-CE1 3.92Å; H535-F555 HydrophobicContact CB-CZ 3.72Å; V536-F555 CarbonylContact O-C 3.5Å; V536-F555 VanDerWaalsContact O-CA 3.3Å; V536-F555 WeakPolarHBondContact O-CA 3.35Å; L537-F555 HydrophobicContact CB-CD2 3.93Å; L537-F555 HydrophobicContact CB-CE2 4.19Å; L537-F555 HydrophobicContact CD1-CD2 4.06Å; F555-I557 HydrophobicContact CE1-CG1 4.3Å; F555-V568 HydrophobicContact CB-CB 4.47Å; F555-V568 HydrophobicContact CD1-CB 4.23Å; F555-V568 HydrophobicContact CD1-CG2 4.07Å; F555-V568 WeakPolarHBondContact O-CB 3.48Å; F555-V568 PolarHBondContact O-N 3.23Å; F555-Y569 HydrophobicContact CB-CD1 3.51Å; F555-Y569 HydrophobicContact CB-CE1 3.21Å; F555-Y569 HydrophobicContact CD2-CE1 4.45Å; F555-Y569 HydrophobicContact CG-CE1 4.07Å; F555-Y569 PolarHBondContact N-O 3.31Å; F555-Y569 PolarHBondContact O-N 2.74Å; F555-H605 AromaticContact CZ-CE1 3.97Å; F555-L628 HydrophobicContact CD2-CD2 3.73Å; F555-L628 HydrophobicContact CE1-CD2 4.48Å; F555-L628 HydrophobicContact CE2-CD2 3.33Å; F555-L628 HydrophobicContact CG-CD2 4.44Å; F555-L628 HydrophobicContact CZ-CD2 3.74Å; F555-L630 HydrophobicContact CD1-CD2 4.21Å; F555-L630 HydrophobicContact CE1-CD1 3.68Å; F555-L630 HydrophobicContact CE1-CD2 3.9Å; F555-L630 HydrophobicContact CE1-CG 4.34Å; F555-L630 HydrophobicContact CZ-CD1 4.07Å; F555-L630 HydrophobicContact CZ-CD2 4.38Å
556W90.8Very high76.6Confident3 Ų362.3 Ų62.31%0.01130%0.296CS..EExtended strand (participates in β ladder)trans-131.4149.9-173-6480.2000110.6V516 P517 H535 V536 S554 W565 S566 C567V516-W556 VanDerWaalsContact O-CH2 3.27Å; V516-W556 WeakPolarHBondContact O-CH2 3.33Å; V516-W556 WeakPolarHBondContact O-CZ2 3.42Å; P517-W556 HydrophobicContact CB-CB 4.42Å; P517-W556 HydrophobicContact CB-CD2 4.17Å; P517-W556 HydrophobicContact CB-CG 3.91Å; P517-W556 HydrophobicContact CG-CB 3.72Å; P517-W556 HydrophobicContact CG-CD2 3.89Å; P517-W556 HydrophobicContact CG-CE3 4.32Å; P517-W556 HydrophobicContact CG-CG 3.62Å; H535-W556 WeakPolarHBondContact CA-O 3.45Å; V536-W556 HydrophobicContact CB-CB 4.41Å; V536-W556 PolarHBondContact N-O 3.3Å; V536-W556 PolarHBondContact O-N 3.5Å; S554-W556 PolarHBondContact OG-NE1 3.17Å; S554-W556 VanDerWaalsContact OG-NE1 3.1Å; W556-W565 HydrophobicContact CB-CE3 3.97Å; W556-W565 HydrophobicContact CB-CZ3 4.03Å; W556-S566 WeakPolarHBondContact CA-O 3.2Å; W556-C567 HydrophobicContact CD2-CB 3.98Å; W556-C567 HydrophobicContact CE3-CB 3.66Å; W556-C567 HydrophobicContact CH2-CB 3.79Å; W556-C567 HydrophobicContact CZ2-CB 4.1Å; W556-C567 HydrophobicContact CZ3-CB 3.55Å
557I91.9Very high78.4Confident3 Ų358.9 Ų58.92%0.01529%0.287CS..EExtended strand (participates in β ladder)trans-122.6129.6174.7-59.1173.4000107.7Y241 E533 I534 F555 W565 S566 V568 L630Y241-I557 HydrophobicContact CD2-CD1 3.21Å; Y241-I557 HydrophobicContact CE2-CD1 3.73Å; Y241-I557 HydrophobicContact CG-CD1 3.93Å; E533-I557 HydrophobicContact CB-CG2 3.97Å; E533-I557 HydrophobicContact CG-CG2 3.95Å; I534-I557 CarbonylContact O-C 3.59Å; I534-I557 WeakPolarHBondContact O-CA 3.18Å; F555-I557 HydrophobicContact CE1-CG1 4.3Å; I557-W565 CarbonylContact O-C 3.56Å; I557-W565 WeakPolarHBondContact O-CA 3.37Å; I557-S566 PolarHBondContact N-O 2.82Å; I557-S566 PolarHBondContact O-N 2.73Å; I557-S566 PolarHBondContact O-OG 2.61Å; I557-V568 HydrophobicContact CD1-CG2 3.44Å; I557-V568 VanDerWaalsContact CD1-CG2 3.44Å; I557-V568 HydrophobicContact CG1-CG2 3.62Å; I557-L630 HydrophobicContact CD1-CD1 4.05Å
558Y92.2Very high80.4Confident6 Ų647.9 Ų47.92%0.02425%0.248CC..EExtended strand (participates in β ladder)trans-104.1118.1167.7177.5-103.4000109.4F492 I505 E533 I534 I560 N563 N564 W565F492-Y558 AromaticContact CE1-CD1 3.6Å; F492-Y558 HydrophobicContact CE1-CD1 3.6Å; F492-Y558 AromaticContact CE1-CD2 3.96Å; F492-Y558 HydrophobicContact CE1-CD2 3.96Å; F492-Y558 AromaticContact CE1-CE1 3.46Å; F492-Y558 HydrophobicContact CE1-CE1 3.46Å; F492-Y558 VanDerWaalsContact CE1-CE1 3.46Å; F492-Y558 AromaticContact CE1-CE2 3.85Å; F492-Y558 HydrophobicContact CE1-CE2 3.85Å; F492-Y558 AromaticContact CE1-CG 3.83Å; F492-Y558 HydrophobicContact CE1-CG 3.83Å; F492-Y558 AromaticContact CE1-CZ 3.6Å; F492-Y558 AromaticContact CZ-CD1 3.8Å; F492-Y558 HydrophobicContact CZ-CD1 3.8Å; F492-Y558 AromaticContact CZ-CE1 3.71Å; F492-Y558 HydrophobicContact CZ-CE1 3.71Å; F492-Y558 HydrophobicContact CZ-CG 4.41Å; I505-Y558 HydrophobicContact CG2-CE2 4.33Å; I505-Y558 WeakPolarHBondContact CG2-OH 3.37Å; E533-Y558 CarbonylContact C-O 3.53Å; E533-Y558 WeakPolarHBondContact CA-O 3.46Å; I534-Y558 HydrophobicContact CD1-CD1 4.19Å; I534-Y558 PolarHBondContact N-O 2.88Å; I534-Y558 PolarHBondContact O-N 3.33Å; Y558-I560 HydrophobicContact CD1-CG1 3.86Å; Y558-I560 HydrophobicContact CE1-CB 4.27Å; Y558-I560 HydrophobicContact CE1-CG1 3.89Å; Y558-N563 PolarHBondContact OH-OD1 2.68Å; Y558-N564 CarbonylContact C-O 3.58Å; Y558-N564 VanDerWaalsContact CA-O 3.3Å; Y558-N564 WeakPolarHBondContact CA-O 3.38Å; Y558-N564 WeakPolarHBondContact CD2-O 3.48Å; Y558-W565 AromaticContact CD2-CD1 3.68Å; Y558-W565 AromaticContact CD2-CD2 3.79Å; Y558-W565 HydrophobicContact CD2-CD2 3.79Å; Y558-W565 AromaticContact CD2-CE2 3.52Å; Y558-W565 AromaticContact CD2-CG 3.91Å; Y558-W565 HydrophobicContact CD2-CG 3.91Å; Y558-W565 HydrophobicContact CD2-CZ2 4.03Å; Y558-W565 AromaticContact CD2-NE1 3.43Å; Y558-W565 AromaticContact CE2-NE1 3.93Å; Y558-W565 HydrophobicContact CG-CD2 4.22Å; Y558-W565 AromaticContact CG-CE2 3.95Å; Y558-W565 HydrophobicContact CG-CH2 4.36Å; Y558-W565 HydrophobicContact CG-CZ2 4.04Å
559D89.7Confident81.9Confident21 Ų2142.9 Ų42.911%0.11222%0.224CC..EExtended strand (participates in β ladder)trans-83.4110.4171.8-177.8-37.5000108A561 R562 N563 N564D559-A561 PolarHBondContact OD1-N 2.9Å; D559-R562 HydrophobicContact CB-CB 4.16Å; D559-R562 PolarHBondContact OD1-N 2.88Å; D559-R562 WeakPolarHBondContact OD2-CD 3.12Å; D559-R562 WeakPolarHBondContact OD2-CG 3.28Å; D559-R562 IonicContact OD2-CZ 3.59Å; D559-R562 IonicContact OD2-NE 2.64Å; D559-R562 IonicContact OD2-NH1 2.75Å; D559-N563 WeakPolarHBondContact O-CA 3.26Å; D559-N563 PolarHBondContact O-N 3.34Å; D559-N564 PolarHBondContact N-O 3.39Å; D559-N564 PolarHBondContact O-N 2.92Å
560I90.1Very high83Confident24 Ų2441.9 Ų41.912%0.12322%0.218CC..THydrogen-bonded Turntrans-65.9-40.8-176-61.3171.4000110.3Y478 I527 N532 I534 Y558 N563Y478-I560 HydrophobicContact CE1-CD1 4.43Å; Y478-I560 HydrophobicContact CE1-CG2 4.24Å; Y478-I560 HydrophobicContact CE2-CD1 4.27Å; Y478-I560 VanDerWaalsContact OH-CG2 3.3Å; Y478-I560 WeakPolarHBondContact OH-CG2 3.49Å; I527-I560 HydrophobicContact CD1-CD1 4.22Å; N532-I560 HydrophobicContact CB-CB 4.26Å; N532-I560 WeakPolarHBondContact O-CB 3.24Å; N532-I560 WeakPolarHBondContact O-CG1 3.48Å; N532-I560 PolarHBondContact O-N 3.33Å; I534-I560 HydrophobicContact CD1-CD1 4.1Å; I534-I560 HydrophobicContact CD1-CG1 4.21Å; I534-I560 HydrophobicContact CG1-CD1 4.09Å; I534-I560 HydrophobicContact CG1-CG1 4.36Å; Y558-I560 HydrophobicContact CD1-CG1 3.86Å; Y558-I560 HydrophobicContact CE1-CB 4.27Å; Y558-I560 HydrophobicContact CE1-CG1 3.89Å; I560-N563 PolarHBondContact O-N 2.78Å
561A85.2Confident83.5Confident83 Ų8341.2 Ų41.269%0.68621%0.214SC*.THydrogen-bonded Turntrans-70-37.3-176.800000112.1D559D559-A561 PolarHBondContact OD1-N 2.9Å
562R78.5Confident83Confident133 Ų13345.6 Ų45.650%0.50224%0.237SC..THydrogen-bonded Turntrans-89.4-7.6178.3-62.2-175.9-178.3152.6-0.8113.6D559 N564D559-R562 HydrophobicContact CB-CB 4.16Å; D559-R562 PolarHBondContact OD1-N 2.88Å; D559-R562 WeakPolarHBondContact OD2-CD 3.12Å; D559-R562 WeakPolarHBondContact OD2-CG 3.28Å; D559-R562 IonicContact OD2-CZ 3.59Å; D559-R562 IonicContact OD2-NE 2.64Å; D559-R562 IonicContact OD2-NH1 2.75Å; R562-N564 VanDerWaalsContact C-N 3.31Å; R562-N564 PolarHBondContact O-N 2.84Å
563N80.4Confident81.8Confident98 Ų9846.1 Ų46.152%0.52424%0.243SC..THydrogen-bonded Turntrans47.851.8-173.9-172.412000112.1Y558 D559 I560Y558-N563 PolarHBondContact OH-OD1 2.68Å; D559-N563 WeakPolarHBondContact O-CA 3.26Å; D559-N563 PolarHBondContact O-N 3.34Å; I560-N563 PolarHBondContact O-N 2.78Å
564N81.8Confident80Confident67 Ų6750.4 Ų50.436%0.35828%0.279SS..EExtended strand (participates in β ladder)trans-136152.9-178.48031.5000112.4Y558 D559 R562Y558-N564 CarbonylContact C-O 3.58Å; Y558-N564 VanDerWaalsContact CA-O 3.3Å; Y558-N564 WeakPolarHBondContact CA-O 3.38Å; Y558-N564 WeakPolarHBondContact CD2-O 3.48Å; D559-N564 PolarHBondContact N-O 3.39Å; D559-N564 PolarHBondContact O-N 2.92Å; R562-N564 VanDerWaalsContact C-N 3.31Å; R562-N564 PolarHBondContact O-N 2.84Å
565W86Confident77.9Confident48 Ų4855.8 Ų55.818%0.18231%0.311CS..EExtended strand (participates in β ladder)trans-104.3142.2172.1-76.196.7000109.8F492 M515 V516 P517 V536 W556 I557 Y558F492-W565 AromaticContact CD1-CZ2 3.95Å; F492-W565 HydrophobicContact CD1-CZ2 3.95Å; F492-W565 AromaticContact CE1-CZ2 3.84Å; F492-W565 HydrophobicContact CE1-CZ2 3.84Å; M515-W565 WeakPolarHBondContact O-CB 3.43Å; V516-W565 HydrophobicContact CG1-CG 4.26Å; P517-W565 HydrophobicContact CG-CD2 4.01Å; P517-W565 HydrophobicContact CG-CE3 3.5Å; P517-W565 HydrophobicContact CG-CH2 3.77Å; P517-W565 HydrophobicContact CG-CZ2 4.24Å; P517-W565 HydrophobicContact CG-CZ3 3.37Å; V536-W565 HydrophobicContact CB-CZ3 4.37Å; V536-W565 HydrophobicContact CG2-CH2 3.73Å; V536-W565 HydrophobicContact CG2-CZ3 3.76Å; W556-W565 HydrophobicContact CB-CE3 3.97Å; W556-W565 HydrophobicContact CB-CZ3 4.03Å; I557-W565 CarbonylContact O-C 3.56Å; I557-W565 WeakPolarHBondContact O-CA 3.37Å; Y558-W565 AromaticContact CD2-CD1 3.68Å; Y558-W565 AromaticContact CD2-CD2 3.79Å; Y558-W565 HydrophobicContact CD2-CD2 3.79Å; Y558-W565 AromaticContact CD2-CE2 3.52Å; Y558-W565 AromaticContact CD2-CG 3.91Å; Y558-W565 HydrophobicContact CD2-CG 3.91Å; Y558-W565 HydrophobicContact CD2-CZ2 4.03Å; Y558-W565 AromaticContact CD2-NE1 3.43Å; Y558-W565 AromaticContact CE2-NE1 3.93Å; Y558-W565 HydrophobicContact CG-CD2 4.22Å; Y558-W565 AromaticContact CG-CE2 3.95Å; Y558-W565 HydrophobicContact CG-CH2 4.36Å; Y558-W565 HydrophobicContact CG-CZ2 4.04Å
566S84.3Confident75.8Confident52 Ų5262.7 Ų62.736%0.36434%0.341SS..EExtended strand (participates in β ladder)trans-129.5135.7170.859.70000109.8W556 I557W556-S566 WeakPolarHBondContact CA-O 3.2Å; I557-S566 PolarHBondContact N-O 2.82Å; I557-S566 PolarHBondContact O-N 2.73Å; I557-S566 PolarHBondContact O-OG 2.61Å
567C86.8Confident73.3Confident50 Ų5071 Ų7134%0.33838%0.38SS..EExtended strand (participates in β ladder)trans-90.8117.2175.1-177.20000108.6W556 K570W556-C567 HydrophobicContact CD2-CB 3.98Å; W556-C567 HydrophobicContact CE3-CB 3.66Å; W556-C567 HydrophobicContact CH2-CB 3.79Å; W556-C567 HydrophobicContact CZ2-CB 4.1Å; W556-C567 HydrophobicContact CZ3-CB 3.55Å; C567-K570 VanDerWaalsContact SG-CE 3.5Å
568V85.9Confident70.7Confident26 Ų2676.8 Ų76.816%0.15841%0.411CS..EExtended strand (participates in β ladder)trans-77.4-48.4177178.50000110P243 F555 I557 L630P243-V568 HydrophobicContact CB-CG1 4.28Å; P243-V568 HydrophobicContact CG-CG1 4.23Å; F555-V568 HydrophobicContact CB-CB 4.47Å; F555-V568 HydrophobicContact CD1-CB 4.23Å; F555-V568 HydrophobicContact CD1-CG2 4.07Å; F555-V568 WeakPolarHBondContact O-CB 3.48Å; F555-V568 PolarHBondContact O-N 3.23Å; I557-V568 HydrophobicContact CD1-CG2 3.44Å; I557-V568 VanDerWaalsContact CD1-CG2 3.44Å; I557-V568 HydrophobicContact CG1-CG2 3.62Å; V568-L630 HydrophobicContact CG1-CD2 4.17Å
569Y82.3Confident68.2Low28 Ų2882.7 Ų82.711%0.1145%0.45CS..EExtended strand (participates in β ladder)trans-160.2160.9174.879.4-84.2000112.8P243 W245 S554 F555 E587P243-Y569 HydrophobicContact CB-CD1 3.84Å; P243-Y569 HydrophobicContact CB-CE1 4.04Å; P243-Y569 HydrophobicContact CG-CD1 3.64Å; P243-Y569 HydrophobicContact CG-CE1 4.26Å; P243-Y569 HydrophobicContact CG-CG 4.02Å; W245-Y569 HydrophobicContact CZ2-CE1 4.43Å; W245-Y569 WeakPolarHBondContact CZ2-OH 3.47Å; W245-Y569 AromaticContact NE1-CE1 3.71Å; W245-Y569 AromaticContact NE1-CZ 3.47Å; W245-Y569 PolarHBondContact NE1-OH 3.25Å; W245-Y569 VanDerWaalsContact NE1-OH 3.09Å; S554-Y569 VanDerWaalsContact CA-O 3.29Å; S554-Y569 WeakPolarHBondContact CA-O 3.3Å; F555-Y569 HydrophobicContact CB-CD1 3.51Å; F555-Y569 HydrophobicContact CB-CE1 3.21Å; F555-Y569 HydrophobicContact CD2-CE1 4.45Å; F555-Y569 HydrophobicContact CG-CE1 4.07Å; F555-Y569 PolarHBondContact N-O 3.31Å; F555-Y569 PolarHBondContact O-N 2.74Å; Y569-E587 WeakPolarHBondContact CE2-OE2 3.26Å
570K79.5Confident65.7Low92 Ų9286.4 Ų86.440%0.448%0.478SS..EExtended strand (participates in β ladder)trans-135.8136.9171-69174.2179.7169.60108.5C567 D572C567-K570 VanDerWaalsContact SG-CE 3.5Å; K570-D572 PolarHBondContact O-N 3.27Å
571N72.5Confident63.2Low23 Ų2393.5 Ų93.512%0.12351%0.508CS..  trans-77.4112.5170.1-172.7-44.2000109.3N553 E587N553-N571 PolarHBondContact O-N 3.49Å; N571-E587 PolarHBondContact ND2-OE1 2.87Å
572D57.2Low60.9Low110 Ų11096.4 Ų96.459%0.58852%0.517SS*.  trans-91.3114.8172.7-89.5-30.6000110.9K570 A574K570-D572 PolarHBondContact O-N 3.27Å; D572-A574 PolarHBondContact O-N 3.29Å
573Q48.7Very low59.1Low96 Ų9697.2 Ų97.245%0.44953%0.531SS..G310 helixtrans-61.5-10.9178.7-80.2175.1-38.300114.4V575Q573-V575 PolarHBondContact O-N 3.16Å
574A41.6Very low57.5Low92 Ų92101.2 Ų101.276%0.7655%0.546SS*.G310 helixtrans-66.8-13.4-178.800000114D572D572-A574 PolarHBondContact O-N 3.29Å
575V42Very low56.5Low117 Ų117102.6 Ų102.671%0.70955%0.551SS**G310 helixtrans-95.7-9.2-173.7-173.40000113.4Q573 E577Q573-V575 PolarHBondContact O-N 3.16Å; V575-E577 VanDerWaalsContact C-N 3.32Å; V575-E577 PolarHBondContact O-N 3.47Å
576K43.8Very low56.1Low144 Ų144108.3 Ų108.363%0.62658%0.579SS**THydrogen-bonded Turntrans-84.29.4-176.8-75.6-167.9176.8-1730115.7
577E39.3Very low56.3Low178 Ų178108.4 Ų108.483%0.83257%0.574SS**THydrogen-bonded Turntrans-91.715.6172.7-71-166.3169.900114.3V575 P579V575-E577 VanDerWaalsContact C-N 3.32Å; V575-E577 PolarHBondContact O-N 3.47Å; E577-P579 WeakPolarHBondContact O-CD 2.95Å
578N37.3Very low56.4Low124 Ų124106 Ų10666%0.66356%0.558SS**  trans-110.6101.5170.5-94.6-26.5000111.5S580N578-S580 PolarHBondContact O-N 2.98Å; N578-S580 VanDerWaalsContact O-N 3.14Å
579P39.6Very low56.5Low131 Ų131106.1 Ų106.185%0.85156%0.559SS**THydrogen-bonded Turntrans-71.90.6-179.7-14.729.1000114.8E577E577-P579 WeakPolarHBondContact O-CD 2.95Å
580S36.6Very low56.7Low99 Ų99105.8 Ų105.869%0.69256%0.561SS**THydrogen-bonded Turntrans-95.8-2.5-168.357.10000115.5N578N578-S580 PolarHBondContact O-N 2.98Å; N578-S580 VanDerWaalsContact O-N 3.14Å
581K38Very low57.1Low173 Ų173101.4 Ų101.475%0.75254%0.542SS*.SBendtrans-96.9105.3167.6-76.1-170.4175.9-172.30109.2L583K581-L583 PolarHBondContact O-N 3.15Å; K581-L583 VanDerWaalsContact O-N 3.14Å
582T36.4Very low57.9Low144 Ų144102.7 Ų102.788%0.88355%0.546SS*.  trans-50.8114.7166.512.40000109.5Q584T582-Q584 PolarHBondContact O-N 3.02Å; T582-Q584 VanDerWaalsContact O-N 3.1Å
583L41.6Very low59.5Low150 Ų15098.4 Ų98.479%0.78553%0.526SS*.  trans-75.988.7-164.5-70.8139.9000112.4K581K581-L583 PolarHBondContact O-N 3.15Å; K581-L583 VanDerWaalsContact O-N 3.14Å
584Q46.1Very low61.6Low181 Ų18193.9 Ų93.985%0.84651%0.505SS*.  trans-77.8111.6144.3-157.5164.310.800104.9T582 E586T582-Q584 PolarHBondContact O-N 3.02Å; T582-Q584 VanDerWaalsContact O-N 3.1Å; Q584-E586 PolarHBondContact O-N 3.16Å
585E61.8Low64.2Low97 Ų9790.3 Ų90.345%0.45347%0.472SS..  trans-63.8105.9177.5-67.8-170.6160.800107.7E587 W626E585-E587 PolarHBondContact O-N 3.36Å; E585-W626 HydrophobicContact CB-CH2 4.13Å; E585-W626 VanDerWaalsContact O-CH2 3.29Å; E585-W626 WeakPolarHBondContact O-CH2 3.42Å
586E77.8Confident66.8Low168 Ų16885 Ų8579%0.78544%0.44SS*.SBendtrans-70.7-13.5-179.5-67.7179.6176.100112.3W245 Q584W245-E586 WeakPolarHBondContact CB-O 3.27Å; Q584-E586 PolarHBondContact O-N 3.16Å
587E86.8Confident69.3Low53 Ų5378.6 Ų78.625%0.24841%0.413CS..SBendtrans-152156.9-179.959.2166.7-154.200111.7W245 Y569 N571 E585W245-E587 HydrophobicContact CB-CB 4.32Å; W245-E587 HydrophobicContact CG-CB 4.02Å; Y569-E587 WeakPolarHBondContact CE2-OE2 3.26Å; N571-E587 PolarHBondContact ND2-OE1 2.87Å; E585-E587 PolarHBondContact O-N 3.36Å
588P90.1Very high72.1Confident0 Ų071.2 Ų71.20%038%0.378CS..PPolyproline II helixtrans-63.8138.3177.325-34.2000111.9W245 N553 L607 W626W245-P588 HydrophobicContact CD2-CG 3.93Å; W245-P588 VanDerWaalsContact CE3-CD 3.48Å; W245-P588 HydrophobicContact CE3-CG 3.72Å; W245-P588 HydrophobicContact CH2-CG 3.9Å; W245-P588 HydrophobicContact CZ2-CG 4.08Å; W245-P588 HydrophobicContact CZ3-CG 3.7Å; N553-P588 PolarHBondContact ND2-O 3.01Å; P588-L607 HydrophobicContact CB-CD2 4.35Å; P588-W626 HydrophobicContact CB-CD2 4.01Å; P588-W626 HydrophobicContact CB-CG 4.02Å; P588-W626 HydrophobicContact CG-CD2 4.37Å; P588-W626 HydrophobicContact CG-CG 4.36Å
589C87.6Confident74.9Confident28 Ų2865.3 Ų65.319%0.18935%0.346CS..PPolyproline II helixtrans-58.9154.4174.673.10000112.9N553 R591N553-C589 PolarHBondContact ND2-O 3.43Å; C589-R591 PolarHBondContact O-N 2.9Å; C589-R591 PolarHBondContact O-NE 3.09Å; C589-R591 PolarHBondContact O-NH2 2.92Å; C589-R591 PolarHBondContact SG-NH2 3Å
590P86.2Confident77.5Confident22 Ų2262.4 Ų62.414%0.14332%0.321CS..PPolyproline II helixtrans-55.2133.7174.4-26.735.7000112.9V551 N553 P612V551-P590 VanDerWaalsContact C-CB 3.49Å; V551-P590 HydrophobicContact CB-CB 3.99Å; V551-P590 HydrophobicContact CG1-CB 3.55Å; V551-P590 VanDerWaalsContact O-CB 3.24Å; V551-P590 WeakPolarHBondContact O-CB 3.41Å; N553-P590 WeakPolarHBondContact OD1-CA 3.44Å; P590-P612 WeakPolarHBondContact O-CA 3.33Å
591R88.2Confident80.3Confident0 Ų062.6 Ų62.60%031%0.313CS..  trans-157.8158.1-173.464.2-170.370.4-156.52.6114.4G539 V551 C589 H594 G609 N611 L622 D624G539-R591 WeakPolarHBondContact CA-O 3.47Å; V551-R591 VanDerWaalsContact CG1-N 3.27Å; C589-R591 PolarHBondContact O-N 2.9Å; C589-R591 PolarHBondContact O-NE 3.09Å; C589-R591 PolarHBondContact O-NH2 2.92Å; C589-R591 PolarHBondContact SG-NH2 3Å; R591-H594 HydrophobicContact CG-CB 4.13Å; R591-H594 PolarHBondContact O-ND1 2.95Å; R591-G609 VanDerWaalsContact CD-O 3.32Å; R591-G609 WeakPolarHBondContact CD-O 3.35Å; R591-G609 PolarHBondContact NH1-O 2.76Å; R591-G609 VanDerWaalsContact NH1-O 3.11Å; R591-N611 CarbonylContact C-O 3.55Å; R591-N611 WeakPolarHBondContact CA-O 3.49Å; R591-N611 WeakPolarHBondContact CB-O 3.39Å; R591-L622 HydrophobicContact CB-CD1 4.32Å; R591-L622 VanDerWaalsContact CZ-CD1 3.42Å; R591-D624 IonicContact CZ-OD1 3.52Å; R591-D624 IonicContact CZ-OD2 3.79Å; R591-D624 IonicContact NH1-OD1 3.86Å; R591-D624 PolarHBondContact NH1-OD1 2.71Å; R591-D624 IonicContact NH1-OD2 3.75Å; R591-D624 PolarHBondContact NH1-OD2 2.84Å; R591-D624 IonicContact NH2-OD1 3.25Å; R591-D624 IonicContact NH2-OD2 2.92Å; R591-D624 PolarHBondContact NH2-OD2 3.09Å
592F88.8Confident83Confident50 Ų5058.5 Ų58.522%0.21930%0.296CS..BIsolated β-bridgetrans-126.4171.8170.767.3-92000112.5T522 H594 G610 N611T522-F592 VanDerWaalsContact CB-CB 3.47Å; T522-F592 HydrophobicContact CG2-CB 3.44Å; T522-F592 VanDerWaalsContact CG2-CB 3.44Å; T522-F592 HydrophobicContact CG2-CD2 4.07Å; T522-F592 HydrophobicContact CG2-CG 4.08Å; T522-F592 WeakPolarHBondContact OG1-CB 3.39Å; F592-H594 PolarHBondContact O-N 3.1Å; F592-G610 CarbonylContact O-C 3.55Å; F592-G610 VanDerWaalsContact O-CA 3.23Å; F592-G610 WeakPolarHBondContact O-CA 3.4Å; F592-N611 HydrophobicContact CD1-CB 4.17Å; F592-N611 WeakPolarHBondContact CD1-O 3.21Å; F592-N611 HydrophobicContact CD2-CB 4.16Å; F592-N611 HydrophobicContact CE1-CB 3.81Å; F592-N611 HydrophobicContact CE2-CB 3.79Å; F592-N611 HydrophobicContact CG-CB 4.34Å; F592-N611 HydrophobicContact CZ-CB 3.62Å; F592-N611 WeakPolarHBondContact CZ-ND2 3.44Å; F592-N611 PolarHBondContact N-O 2.89Å; F592-N611 PolarHBondContact O-N 3.02Å
593A90.6Very high85.8Confident20 Ų2054.6 Ų54.617%0.16527%0.267CS..SBendtrans54.120.8-177.400000114G279 G280G279-A593 CarbonylContact C-O 3.56Å; G279-A593 VanDerWaalsContact CA-O 3.3Å; G279-A593 WeakPolarHBondContact CA-O 3.43Å; G280-A593 PolarHBondContact N-O 3.14Å
594H93.8Very high88.4Confident0 Ų047.6 Ų47.60%023%0.23CC..  trans-79174.4167.566.2-90.6000109.3R524 R591 F592 G609R524-H594 PolarHBondContact NE-O 3.29Å; R591-H594 HydrophobicContact CG-CB 4.13Å; R591-H594 PolarHBondContact O-ND1 2.95Å; F592-H594 PolarHBondContact O-N 3.1Å; H594-G609 WeakPolarHBondContact CB-O 3.37Å
595Q95.5Very high90.9Very high17 Ų1739 Ų398%0.07919%0.19CC..EExtended strand (participates in β ladder)trans-126.7146.9170.6-17166.8-0.400110.7M283 L607 F608M283-Q595 HydrophobicContact CB-CB 4.36Å; M283-Q595 HydrophobicContact CB-CG 3.59Å; M283-Q595 HydrophobicContact CG-CB 4.09Å; M283-Q595 HydrophobicContact CG-CG 3.86Å; M283-Q595 PolarHBondContact O-NE2 3.12Å; M283-Q595 HydrophobicContact SD-CB 3.74Å; M283-Q595 HydrophobicContact SD-CG 3.95Å; Q595-L607 WeakPolarHBondContact O-CA 3.38Å; Q595-F608 PolarHBondContact N-O 2.88Å; Q595-F608 PolarHBondContact O-N 3.09Å
596L96.1Very high92.6Very high6 Ų635.1 Ų35.13%0.03117%0.171CC..EExtended strand (participates in β ladder)trans-131.8127.4-180-171.473.9000107.8R524 T526 L537 H605 Y606 L607R524-L596 HydrophobicContact CB-CB 3.95Å; R524-L596 HydrophobicContact CB-CD2 4.49Å; R524-L596 HydrophobicContact CG-CB 4.49Å; T526-L596 HydrophobicContact CG2-CD2 4.36Å; T526-L596 HydrophobicContact CG2-CG 4.43Å; L537-L596 HydrophobicContact CB-CD2 3.96Å; L537-L596 HydrophobicContact CD2-CD1 4.41Å; L537-L596 HydrophobicContact CD2-CD2 4.37Å; L596-H605 HydrophobicContact CD1-CB 3.89Å; L596-H605 HydrophobicContact CG-CB 4.46Å; L596-Y606 WeakPolarHBondContact CA-O 3.34Å; L596-L607 HydrophobicContact CD1-CB 3.87Å; L596-L607 HydrophobicContact CD1-CD1 4.45Å
597V97.6Very high93.6Very high10 Ų1027.1 Ų27.16%0.06113%0.134CC..EExtended strand (participates in β ladder)trans-123156.7172.2-63.90000109.8M283 I285 V292 H605 Y606M283-V597 HydrophobicContact CB-CG1 3.62Å; M283-V597 HydrophobicContact CE-CG2 4.05Å; M283-V597 VanDerWaalsContact O-CG1 3.24Å; M283-V597 WeakPolarHBondContact O-CG1 3.36Å; I285-V597 HydrophobicContact CB-CB 4.35Å; I285-V597 HydrophobicContact CB-CG2 4.18Å; I285-V597 HydrophobicContact CG2-CB 4.09Å; I285-V597 HydrophobicContact CG2-CG2 4.37Å; V292-V597 HydrophobicContact CG1-CG2 4.26Å; V292-V597 HydrophobicContact CG2-CG2 4.29Å; V597-H605 CarbonylContact O-C 3.57Å; V597-H605 VanDerWaalsContact O-CA 3.26Å; V597-H605 WeakPolarHBondContact O-CA 3.33Å; V597-Y606 HydrophobicContact CG2-CD2 4.44Å; V597-Y606 PolarHBondContact N-O 3.01Å; V597-Y606 PolarHBondContact O-N 2.84Å
598Y97.8Very high94.1Very high23 Ų2324.7 Ų24.79%0.0912%0.123CC..EExtended strand (participates in β ladder)trans-125.5126.1-175.9-178.4-122.7000111I285 D528 E600 K603 V604 H605I285-Y598 WeakPolarHBondContact CG2-O 3.31Å; D528-Y598 HydrophobicContact CB-CE1 3.8Å; D528-Y598 PolarHBondContact OD2-OH 3.41Å; Y598-E600 HydrophobicContact CD1-CB 4.04Å; Y598-E600 HydrophobicContact CE1-CB 3.83Å; Y598-E600 PolarHBondContact O-N 3.37Å; Y598-K603 WeakPolarHBondContact OH-CD 3.09Å; Y598-V604 WeakPolarHBondContact CD2-O 3.26Å; Y598-H605 AromaticContact CD2-CD2 3.53Å; Y598-H605 AromaticContact CD2-CE1 3.4Å; Y598-H605 WeakPolarHBondContact CD2-CE1 3.2Å; Y598-H605 AromaticContact CD2-CG 3.77Å; Y598-H605 AromaticContact CD2-ND1 3.72Å; Y598-H605 AromaticContact CD2-NE2 3.28Å; Y598-H605 VanDerWaalsContact CD2-NE2 3.28Å; Y598-H605 WeakPolarHBondContact CD2-NE2 3.38Å; Y598-H605 AromaticContact CE2-CE1 3.49Å; Y598-H605 VanDerWaalsContact CE2-CE1 3.49Å; Y598-H605 WeakPolarHBondContact CE2-CE1 3.2Å; Y598-H605 AromaticContact CE2-ND1 3.92Å; Y598-H605 AromaticContact CE2-NE2 3.81Å; Y598-H605 AromaticContact CG-NE2 3.84Å
599D97.1Very high94.4Very high0 Ų024.7 Ų24.70%012%0.123CC..EExtended strand (participates in β ladder)trans-85.1101.2165.7-171.6-28000108.7I285 M601 H602 K603 V604 Y606I285-D599 HydrophobicContact CD1-CB 3.84Å; D599-M601 VanDerWaalsContact C-N 3.29Å; D599-M601 PolarHBondContact O-N 3.43Å; D599-M601 PolarHBondContact OD1-N 3.04Å; D599-H602 IonicContact OD1-CG 3.78Å; D599-H602 PolarHBondContact OD1-N 2.96Å; D599-H602 IonicContact OD1-ND1 3.32Å; D599-H602 PolarHBondContact OD1-ND1 3.31Å; D599-H602 IonicContact OD2-CE1 3.07Å; D599-H602 IonicContact OD2-CG 2.75Å; D599-H602 IonicContact OD2-ND1 3.77Å; D599-H602 PolarHBondContact OD2-ND1 3.02Å; D599-K603 WeakPolarHBondContact O-CA 3.37Å; D599-K603 PolarHBondContact O-N 2.73Å; D599-V604 HydrophobicContact CB-CB 4.48Å; D599-V604 PolarHBondContact N-O 3.23Å; D599-V604 PolarHBondContact O-N 2.99Å; D599-V604 VanDerWaalsContact O-N 3.17Å; D599-Y606 HydrophobicContact CB-CE2 4.31Å
600E93.7Very high94.6Very high69 Ų6923.4 Ų23.432%0.32211%0.114SC..THydrogen-bonded Turntrans-71.3-20.7179.867.4-178.8169.300113.5P529 Y598 K603P529-E600 WeakPolarHBondContact CD-OE2 3.09Å; P529-E600 WeakPolarHBondContact CG-OE2 3.32Å; Y598-E600 HydrophobicContact CD1-CB 4.04Å; Y598-E600 HydrophobicContact CE1-CB 3.83Å; Y598-E600 PolarHBondContact O-N 3.37Å; E600-K603 VanDerWaalsContact O-CD 3.28Å; E600-K603 WeakPolarHBondContact O-CD 3.41Å; E600-K603 WeakPolarHBondContact O-CE 3.32Å; E600-K603 PolarHBondContact O-NZ 3.34Å
601M94.1Very high94.9Very high104 Ų10422.5 Ų22.551%0.51211%0.108SC..THydrogen-bonded Turntrans-80-41.4177.9-67-159.5-58.300111.2V287 D599V287-M601 VanDerWaalsContact C-CE 3.41Å; V287-M601 HydrophobicContact CB-CE 4.11Å; V287-M601 HydrophobicContact CB-CG 4.48Å; V287-M601 HydrophobicContact CG2-CE 4.17Å; V287-M601 HydrophobicContact CG2-CG 4.36Å; V287-M601 WeakPolarHBondContact O-CE 3.23Å; D599-M601 VanDerWaalsContact C-N 3.29Å; D599-M601 PolarHBondContact O-N 3.43Å; D599-M601 PolarHBondContact OD1-N 3.04Å
602H94.8Very high94.9Very high87 Ų8723.3 Ų23.340%0.40311%0.113SC..THydrogen-bonded Turntrans-98.9-3.1-178-56.1103.9000113.8E290 D599 V604E290-H602 VanDerWaalsContact CD-CE1 3.48Å; E290-H602 VanDerWaalsContact CG-CE1 3.49Å; E290-H602 WeakPolarHBondContact CG-CE1 3.43Å; E290-H602 IonicContact OE1-CE1 2.8Å; E290-H602 IonicContact OE2-CE1 3.62Å; D599-H602 IonicContact OD1-CG 3.78Å; D599-H602 PolarHBondContact OD1-N 2.96Å; D599-H602 IonicContact OD1-ND1 3.32Å; D599-H602 PolarHBondContact OD1-ND1 3.31Å; D599-H602 IonicContact OD2-CE1 3.07Å; D599-H602 IonicContact OD2-CG 2.75Å; D599-H602 IonicContact OD2-ND1 3.77Å; D599-H602 PolarHBondContact OD2-ND1 3.02Å; H602-V604 HydrophobicContact CB-CG2 3.99Å; H602-V604 VanDerWaalsContact O-CG2 3.26Å; H602-V604 WeakPolarHBondContact O-CG2 3.45Å
603K95.6Very high94.7Very high61 Ų6122.2 Ų22.227%0.26512%0.116SC..THydrogen-bonded Turntrans56.847.6180-47.8-64178.2-166.80112.3D528 E530 Y598 D599 E600D528-K603 IonicContact OD1-NZ 3.61Å; D528-K603 PolarHBondContact OD1-NZ 3.41Å; D528-K603 WeakPolarHBondContact OD2-CD 3.49Å; D528-K603 VanDerWaalsContact OD2-CE 3.3Å; D528-K603 WeakPolarHBondContact OD2-CE 3.24Å; D528-K603 IonicContact OD2-NZ 3.33Å; D528-K603 PolarHBondContact OD2-NZ 2.89Å; E530-K603 IonicContact OE2-NZ 2.89Å; E530-K603 PolarHBondContact OE2-NZ 2.95Å; Y598-K603 WeakPolarHBondContact OH-CD 3.09Å; D599-K603 WeakPolarHBondContact O-CA 3.37Å; D599-K603 PolarHBondContact O-N 2.73Å; E600-K603 VanDerWaalsContact O-CD 3.28Å; E600-K603 WeakPolarHBondContact O-CD 3.41Å; E600-K603 WeakPolarHBondContact O-CE 3.32Å; E600-K603 PolarHBondContact O-NZ 3.34Å
604V97.3Very high94.4Very high4 Ų426.5 Ų26.52%0.02413%0.131CC..EExtended strand (participates in β ladder)trans-125.5134.4-176.8-1670000111.1Y598 D599 H602 Y606 K629Y598-V604 WeakPolarHBondContact CD2-O 3.26Å; D599-V604 HydrophobicContact CB-CB 4.48Å; D599-V604 PolarHBondContact N-O 3.23Å; D599-V604 PolarHBondContact O-N 2.99Å; D599-V604 VanDerWaalsContact O-N 3.17Å; H602-V604 HydrophobicContact CB-CG2 3.99Å; H602-V604 VanDerWaalsContact O-CG2 3.26Å; H602-V604 WeakPolarHBondContact O-CG2 3.45Å; V604-Y606 HydrophobicContact CB-CE2 4.12Å; V604-Y606 HydrophobicContact CG1-CE1 4.45Å; V604-Y606 HydrophobicContact CG1-CE2 4.03Å; V604-K629 HydrophobicContact CB-CG 4.48Å; V604-K629 HydrophobicContact CG1-CG 4.13Å; V604-K629 HydrophobicContact CG2-CD 4.27Å; V604-K629 HydrophobicContact CG2-CG 4.01Å
605H98.1Very high93.8Very high1 Ų132.3 Ų32.31%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-95.7146168.8-60.683.9000111.3T526 H535 F555 L596 V597 Y598 S627 L628T526-H605 PolarHBondContact OG1-CD2 3.08Å; T526-H605 PolarHBondContact OG1-NE2 2.8Å; H535-H605 AromaticContact CG-CE1 3.96Å; H535-H605 AromaticContact CG-NE2 3.88Å; H535-H605 AromaticContact ND1-CE1 3.27Å; H535-H605 PolarHBondContact ND1-CE1 3.18Å; H535-H605 VanDerWaalsContact ND1-CE1 3.27Å; H535-H605 AromaticContact ND1-NE2 3.31Å; H535-H605 PolarHBondContact ND1-NE2 2.99Å; F555-H605 AromaticContact CZ-CE1 3.97Å; L596-H605 HydrophobicContact CD1-CB 3.89Å; L596-H605 HydrophobicContact CG-CB 4.46Å; V597-H605 CarbonylContact O-C 3.57Å; V597-H605 VanDerWaalsContact O-CA 3.26Å; V597-H605 WeakPolarHBondContact O-CA 3.33Å; Y598-H605 AromaticContact CD2-CD2 3.53Å; Y598-H605 AromaticContact CD2-CE1 3.4Å; Y598-H605 WeakPolarHBondContact CD2-CE1 3.2Å; Y598-H605 AromaticContact CD2-CG 3.77Å; Y598-H605 AromaticContact CD2-ND1 3.72Å; Y598-H605 AromaticContact CD2-NE2 3.28Å; Y598-H605 VanDerWaalsContact CD2-NE2 3.28Å; Y598-H605 WeakPolarHBondContact CD2-NE2 3.38Å; Y598-H605 AromaticContact CE2-CE1 3.49Å; Y598-H605 VanDerWaalsContact CE2-CE1 3.49Å; Y598-H605 WeakPolarHBondContact CE2-CE1 3.2Å; Y598-H605 AromaticContact CE2-ND1 3.92Å; Y598-H605 AromaticContact CE2-NE2 3.81Å; Y598-H605 AromaticContact CG-NE2 3.84Å; H605-S627 CarbonylContact O-C 3.47Å; H605-S627 WeakPolarHBondContact O-CA 3.37Å; H605-L628 HydrophobicContact CB-CB 4.13Å; H605-L628 PolarHBondContact N-O 3.32Å; H605-L628 PolarHBondContact O-N 3.39Å
606Y98.1Very high93.3Very high14 Ų1436.9 Ų36.96%0.05520%0.204CC..EExtended strand (participates in β ladder)trans-121.1126.7172.5-63.7-86.7000110.4I248 I285 V292 V312 L596 V597 D599 V604 F625 W626I248-Y606 HydrophobicContact CD1-CD1 3.62Å; I248-Y606 HydrophobicContact CD1-CE1 3.74Å; I285-Y606 HydrophobicContact CD1-CD2 4.05Å; I285-Y606 HydrophobicContact CD1-CE2 3.99Å; V292-Y606 HydrophobicContact CG2-CD2 4.23Å; V292-Y606 HydrophobicContact CG2-CG 4.27Å; V312-Y606 WeakPolarHBondContact CG1-OH 3.36Å; V312-Y606 HydrophobicContact CG2-CE1 3.98Å; V312-Y606 HydrophobicContact CG2-CE2 4.27Å; V312-Y606 VanDerWaalsContact CG2-OH 3.29Å; V312-Y606 WeakPolarHBondContact CG2-OH 3.37Å; L596-Y606 WeakPolarHBondContact CA-O 3.34Å; V597-Y606 HydrophobicContact CG2-CD2 4.44Å; V597-Y606 PolarHBondContact N-O 3.01Å; V597-Y606 PolarHBondContact O-N 2.84Å; D599-Y606 HydrophobicContact CB-CE2 4.31Å; V604-Y606 HydrophobicContact CB-CE2 4.12Å; V604-Y606 HydrophobicContact CG1-CE1 4.45Å; V604-Y606 HydrophobicContact CG1-CE2 4.03Å; Y606-F625 HydrophobicContact CD1-CE2 4.28Å; Y606-F625 AromaticContact CD1-CZ 3.81Å; Y606-F625 HydrophobicContact CD1-CZ 3.81Å; Y606-F625 HydrophobicContact CG-CZ 4.31Å; Y606-W626 WeakPolarHBondContact CA-O 3.48Å
607L97.3Very high92.9Very high0 Ų038.7 Ų38.70%022%0.217CC..EExtended strand (participates in β ladder)trans-118.7130.6-178.6175.9150.6000110.4W245 L537 P588 Q595 L596 F625 W626W245-L607 HydrophobicContact CH2-CD1 4.27Å; W245-L607 HydrophobicContact CZ3-CB 4.35Å; L537-L607 HydrophobicContact CD2-CD1 3.48Å; L537-L607 VanDerWaalsContact CD2-CD1 3.48Å; P588-L607 HydrophobicContact CB-CD2 4.35Å; Q595-L607 WeakPolarHBondContact O-CA 3.38Å; L596-L607 HydrophobicContact CD1-CB 3.87Å; L596-L607 HydrophobicContact CD1-CD1 4.45Å; L607-F625 WeakPolarHBondContact O-CA 3.17Å; L607-F625 WeakPolarHBondContact O-CD2 3.4Å; L607-W626 HydrophobicContact CB-CB 4.35Å; L607-W626 HydrophobicContact CD2-CB 4.42Å; L607-W626 HydrophobicContact CD2-CG 4.48Å; L607-W626 PolarHBondContact N-O 2.81Å; L607-W626 PolarHBondContact O-N 3.01Å
608F97.7Very high92.3Very high3 Ų342.5 Ų42.51%0.01324%0.242CC..EExtended strand (participates in β ladder)trans-131.1141.7175.8-170.4-95.8000112.9P275 R278 H281 M283 L294 W317 Q595 D623 F625P275-F608 HydrophobicContact CB-CE1 4.29Å; P275-F608 HydrophobicContact CB-CZ 3.92Å; P275-F608 HydrophobicContact CG-CZ 4.36Å; R278-F608 HydrophobicContact CG-CD1 4.34Å; R278-F608 HydrophobicContact CG-CE1 3.79Å; H281-F608 AromaticContact CE1-CD1 3.93Å; H281-F608 PolarHBondContact CE1-O 3.35Å; H281-F608 VanDerWaalsContact CE1-O 3.25Å; H281-F608 AromaticContact NE2-CD1 3.61Å; H281-F608 PolarHBondContact NE2-O 3.38Å; M283-F608 HydrophobicContact CE-CB 4.05Å; M283-F608 HydrophobicContact SD-CB 3.53Å; M283-F608 VanDerWaalsContact SD-CB 3.53Å; L294-F608 HydrophobicContact CD1-CB 4.49Å; L294-F608 HydrophobicContact CD1-CD1 3.4Å; L294-F608 HydrophobicContact CD1-CE1 3.67Å; L294-F608 HydrophobicContact CD1-CG 3.94Å; L294-F608 HydrophobicContact CD1-CZ 4.41Å; W317-F608 HydrophobicContact CZ2-CD2 4.32Å; W317-F608 HydrophobicContact CZ2-CE2 4.41Å; Q595-F608 PolarHBondContact N-O 2.88Å; Q595-F608 PolarHBondContact O-N 3.09Å; F608-D623 VanDerWaalsContact CE2-O 3.23Å; F608-D623 WeakPolarHBondContact CE2-O 3.26Å; F608-D623 HydrophobicContact CZ-CB 4.31Å; F608-F625 HydrophobicContact CB-CD2 3.9Å; F608-F625 HydrophobicContact CB-CE2 4.31Å; F608-F625 HydrophobicContact CD2-CB 3.83Å; F608-F625 AromaticContact CD2-CD2 3.74Å; F608-F625 HydrophobicContact CD2-CD2 3.74Å; F608-F625 AromaticContact CD2-CG 3.98Å; F608-F625 HydrophobicContact CD2-CG 3.98Å; F608-F625 HydrophobicContact CE2-CB 4.32Å; F608-F625 HydrophobicContact CG-CD2 4.31Å
609G95.9Very high92Very high0 Ų047.7 Ų47.70%027%0.265CS..EExtended strand (participates in β ladder)trans59.9-147.8164.900000115.5R591 H594 L622 D624R591-G609 VanDerWaalsContact CD-O 3.32Å; R591-G609 WeakPolarHBondContact CD-O 3.35Å; R591-G609 PolarHBondContact NH1-O 2.76Å; R591-G609 VanDerWaalsContact NH1-O 3.11Å; H594-G609 WeakPolarHBondContact CB-O 3.37Å; G609-L622 WeakPolarHBondContact CA-O 3.34Å; G609-D624 PolarHBondContact N-O 2.61Å
610G93.5Very high91.8Very high0 Ų051.2 Ų51.20%028%0.283CS..EExtended strand (participates in β ladder)trans103.8-167.2-177.700000114R278 F592 R621 L622R278-G610 PolarHBondContact O-N 3.4Å; F592-G610 CarbonylContact O-C 3.55Å; F592-G610 VanDerWaalsContact O-CA 3.23Å; F592-G610 WeakPolarHBondContact O-CA 3.4Å; G610-R621 CarbonylContact O-C 3.56Å; G610-R621 WeakPolarHBondContact O-CA 3.43Å; G610-L622 PolarHBondContact O-N 3.1Å
611N91.4Very high91.8Very high4 Ų449.4 Ų49.42%0.02127%0.273CS..BIsolated β-bridgetrans-123.6126.7-179.5-177.9-25000109.6R591 F592 G613 P618 R621R591-N611 CarbonylContact C-O 3.55Å; R591-N611 WeakPolarHBondContact CA-O 3.49Å; R591-N611 WeakPolarHBondContact CB-O 3.39Å; F592-N611 HydrophobicContact CD1-CB 4.17Å; F592-N611 WeakPolarHBondContact CD1-O 3.21Å; F592-N611 HydrophobicContact CD2-CB 4.16Å; F592-N611 HydrophobicContact CE1-CB 3.81Å; F592-N611 HydrophobicContact CE2-CB 3.79Å; F592-N611 HydrophobicContact CG-CB 4.34Å; F592-N611 HydrophobicContact CZ-CB 3.62Å; F592-N611 WeakPolarHBondContact CZ-ND2 3.44Å; F592-N611 PolarHBondContact N-O 2.89Å; F592-N611 PolarHBondContact O-N 3.02Å; N611-G613 PolarHBondContact O-N 3.15Å; N611-G613 PolarHBondContact OD1-N 3.46Å; N611-P618 PolarHBondContact ND2-O 2.79Å; N611-R621 PolarHBondContact ND2-NH1 3.42Å
612P88.8Confident91.9Very high16 Ų1645.7 Ų45.710%0.10426%0.255CS..  trans-76.5-2.8-178.532.3-35.8000114.4P590 K614 M620 L622P590-P612 WeakPolarHBondContact O-CA 3.33Å; P612-K614 HydrophobicContact CB-CG 4.41Å; P612-K614 HydrophobicContact CG-CD 4.34Å; P612-K614 HydrophobicContact CG-CG 4.15Å; P612-K614 PolarHBondContact O-N 3.2Å; P612-M620 HydrophobicContact CG-CG 4.21Å; P612-M620 HydrophobicContact CG-SD 3.85Å; P612-L622 HydrophobicContact CB-CD1 4.31Å; P612-L622 HydrophobicContact CG-CD2 4.22Å; P612-L622 HydrophobicContact CG-CG 4.49Å
613G84.5Confident91.9Very high28 Ų2843.8 Ų43.829%0.28925%0.248SC..  trans65.731.518000000115.1N611 S615N611-G613 PolarHBondContact O-N 3.15Å; N611-G613 PolarHBondContact OD1-N 3.46Å; G613-S615 PolarHBondContact O-N 3.47Å
614K83.3Confident91.9Very high110 Ų11042 Ų4248%0.47824%0.241SC..  trans-71.1113.3172.8-66.8-178.5-177.4175.40109.7P612 C616 S617 M620P612-K614 HydrophobicContact CB-CG 4.41Å; P612-K614 HydrophobicContact CG-CD 4.34Å; P612-K614 HydrophobicContact CG-CG 4.15Å; P612-K614 PolarHBondContact O-N 3.2Å; K614-C616 PolarHBondContact O-N 3.33Å; K614-S617 CarbonylContact O-C 3.41Å; K614-S617 WeakPolarHBondContact O-CA 3.18Å; K614-S617 PolarHBondContact O-N 2.81Å; K614-M620 HydrophobicContact CD-SD 3.94Å
615S82.5Confident91.9Very high122 Ų12242.1 Ų42.185%0.85324%0.241SC*.THydrogen-bonded Turntrans-58.2-30.7-179.1-52.20000113.8G613 S617G613-S615 PolarHBondContact O-N 3.47Å; S615-S617 PolarHBondContact O-N 3.4Å
616C85.3Confident91.8Very high113 Ų11342.1 Ų42.176%0.76424%0.241SC*.THydrogen-bonded Turntrans-75.3-9.2174.6580000113.9K614K614-C616 PolarHBondContact O-N 3.33Å
617S86.6Confident91.8Very high44 Ų4442.5 Ų42.531%0.30825%0.246SC..  trans-146.558.4-173.5-40.30000111.4K614 S615 K619 M620K614-S617 CarbonylContact O-C 3.41Å; K614-S617 WeakPolarHBondContact O-CA 3.18Å; K614-S617 PolarHBondContact O-N 2.81Å; S615-S617 PolarHBondContact O-N 3.4Å; S617-K619 PolarHBondContact O-N 2.78Å; S617-K619 VanDerWaalsContact O-N 3.09Å; S617-M620 WeakPolarHBondContact O-CB 3.36Å; S617-M620 PolarHBondContact O-N 3.32Å
618P85.8Confident91.8Very high90 Ų9042.5 Ų42.558%0.58425%0.246SC*.THydrogen-bonded Turntrans-63.2-24.4-17125.5-35.3000113.8N611 R621N611-P618 PolarHBondContact ND2-O 2.79Å; P618-R621 PolarHBondContact O-NH1 3.1Å
619K90.9Very high91.6Very high132 Ų13246.4 Ų46.457%0.57426%0.263SS*.THydrogen-bonded Turntrans-83-9.3176.9-60.8-172158.9-164.60113.5W298 G300 S617 R621W298-K619 HydrophobicContact CH2-CB 4.13Å; W298-K619 HydrophobicContact CH2-CG 4Å; W298-K619 HydrophobicContact CZ3-CB 4.49Å; G300-K619 VanDerWaalsContact CA-O 3.23Å; G300-K619 WeakPolarHBondContact CA-O 2.97Å; G300-K619 WeakPolarHBondContact O-CD 3.48Å; S617-K619 PolarHBondContact O-N 2.78Å; S617-K619 VanDerWaalsContact O-N 3.09Å; K619-R621 PolarHBondContact O-N 3.35Å; K619-R621 PolarHBondContact O-NH1 3.02Å
620M92.4Very high91.5Very high73 Ų7347.7 Ų47.736%0.3627%0.269SS..  trans-57.7136.5-178.3-173.9173.2-133.300111.1P612 K614 S617P612-M620 HydrophobicContact CG-CG 4.21Å; P612-M620 HydrophobicContact CG-SD 3.85Å; K614-M620 HydrophobicContact CD-SD 3.94Å; S617-M620 WeakPolarHBondContact O-CB 3.36Å; S617-M620 PolarHBondContact O-N 3.32Å
621R95.1Very high91.3Very high32 Ų3249.6 Ų49.612%0.12128%0.283CS..  trans-126.8155.8171.7-65.9-61.5-178.6-887110.1M277 W298 D299 G610 N611 P618 K619M277-R621 HydrophobicContact CB-CB 3.82Å; M277-R621 HydrophobicContact CG-CB 4.02Å; M277-R621 HydrophobicContact SD-CB 4.33Å; W298-R621 HydrophobicContact CE3-CG 4.48Å; W298-R621 WeakPolarHBondContact O-CG 3.46Å; D299-R621 WeakPolarHBondContact O-CG 3.24Å; G610-R621 CarbonylContact O-C 3.56Å; G610-R621 WeakPolarHBondContact O-CA 3.43Å; N611-R621 PolarHBondContact ND2-NH1 3.42Å; P618-R621 PolarHBondContact O-NH1 3.1Å; K619-R621 PolarHBondContact O-N 3.35Å; K619-R621 PolarHBondContact O-NH1 3.02Å
622L95.6Very high91.3Very high26 Ų2652.2 Ų52.214%0.13629%0.292CS..EExtended strand (participates in β ladder)trans-107.5156.6178.1-52.1172.4000109.7M277 R278 R591 G609 G610 P612 D624M277-L622 WeakPolarHBondContact CA-O 3.21Å; R278-L622 PolarHBondContact N-O 2.94Å; R278-L622 VanDerWaalsContact N-O 3.09Å; R591-L622 HydrophobicContact CB-CD1 4.32Å; R591-L622 VanDerWaalsContact CZ-CD1 3.42Å; G609-L622 WeakPolarHBondContact CA-O 3.34Å; G610-L622 PolarHBondContact O-N 3.1Å; P612-L622 HydrophobicContact CB-CD1 4.31Å; P612-L622 HydrophobicContact CG-CD2 4.22Å; P612-L622 HydrophobicContact CG-CG 4.49Å; L622-D624 VanDerWaalsContact CB-OD1 3.26Å; L622-D624 WeakPolarHBondContact CB-OD1 3.4Å
623D95.4Very high91.3Very high46 Ų4653.4 Ų53.425%0.24630%0.3CS..EExtended strand (participates in β ladder)trans-13410.6178.865.7-28.6000111.8R274 M277 F608R274-D623 IonicContact CZ-OD2 2.76Å; R274-D623 IonicContact NH1-OD2 3.64Å; R274-D623 PolarHBondContact NH1-OD2 3.17Å; R274-D623 IonicContact NH2-OD2 2.78Å; R274-D623 PolarHBondContact NH2-OD2 3.32Å; M277-D623 HydrophobicContact CB-CB 4.19Å; F608-D623 VanDerWaalsContact CE2-O 3.23Å; F608-D623 WeakPolarHBondContact CE2-O 3.26Å; F608-D623 HydrophobicContact CZ-CB 4.31Å
624D95.2Very high91.6Very high24 Ų2454.6 Ų54.613%0.12830%0.304CS..EExtended strand (participates in β ladder)trans-74.5146.7176.660.5-30.6000111R591 G609 L622 W626R591-D624 IonicContact CZ-OD1 3.52Å; R591-D624 IonicContact CZ-OD2 3.79Å; R591-D624 IonicContact NH1-OD1 3.86Å; R591-D624 PolarHBondContact NH1-OD1 2.71Å; R591-D624 IonicContact NH1-OD2 3.75Å; R591-D624 PolarHBondContact NH1-OD2 2.84Å; R591-D624 IonicContact NH2-OD1 3.25Å; R591-D624 IonicContact NH2-OD2 2.92Å; R591-D624 PolarHBondContact NH2-OD2 3.09Å; G609-D624 PolarHBondContact N-O 2.61Å; L622-D624 VanDerWaalsContact CB-OD1 3.26Å; L622-D624 WeakPolarHBondContact CB-OD1 3.4Å; D624-W626 PolarHBondContact OD2-NE1 3.22Å
625F96.7Very high92.1Very high6 Ų653.2 Ų53.23%0.02630%0.298CS..EExtended strand (participates in β ladder)trans-124.9131.4-175.7-165.8-147.9000110.1I248 M283 Y310 W317 Y606 L607 F608I248-F625 HydrophobicContact CB-CB 4.31Å; I248-F625 HydrophobicContact CB-CD1 3.76Å; I248-F625 HydrophobicContact CB-CE1 4.44Å; I248-F625 HydrophobicContact CB-CG 4.23Å; I248-F625 HydrophobicContact CD1-CD1 3.76Å; I248-F625 HydrophobicContact CD1-CE1 3.67Å; I248-F625 HydrophobicContact CD1-CG 4.24Å; I248-F625 HydrophobicContact CD1-CZ 4.08Å; I248-F625 HydrophobicContact CG1-CD1 4.37Å; I248-F625 HydrophobicContact CG2-CD1 3.67Å; I248-F625 HydrophobicContact CG2-CE1 4.15Å; I248-F625 PolarHBondContact N-O 2.95Å; M283-F625 HydrophobicContact CE-CE2 4Å; Y310-F625 AromaticContact CD1-CE1 3.57Å; Y310-F625 HydrophobicContact CD1-CE1 3.57Å; Y310-F625 AromaticContact CD1-CZ 4Å; Y310-F625 HydrophobicContact CD1-CZ 4Å; Y310-F625 AromaticContact CD2-CE1 3.97Å; Y310-F625 HydrophobicContact CD2-CE1 3.97Å; Y310-F625 AromaticContact CE1-CE1 3.58Å; Y310-F625 HydrophobicContact CE1-CE1 3.58Å; Y310-F625 HydrophobicContact CE1-CZ 4.25Å; Y310-F625 HydrophobicContact CE2-CD1 4.42Å; Y310-F625 HydrophobicContact CE2-CE1 4Å; Y310-F625 AromaticContact CG-CE1 3.76Å; Y310-F625 HydrophobicContact CG-CE1 3.76Å; Y310-F625 HydrophobicContact CG-CZ 4.37Å; Y310-F625 AromaticContact CZ-CE1 3.81Å; W317-F625 AromaticContact CZ2-CD1 3.98Å; W317-F625 HydrophobicContact CZ2-CD1 3.98Å; W317-F625 AromaticContact CZ2-CE1 3.85Å; W317-F625 HydrophobicContact CZ2-CE1 3.85Å; W317-F625 HydrophobicContact CZ2-CE2 4.45Å; W317-F625 HydrophobicContact CZ2-CG 4.35Å; W317-F625 HydrophobicContact CZ2-CZ 4.12Å; Y606-F625 HydrophobicContact CD1-CE2 4.28Å; Y606-F625 AromaticContact CD1-CZ 3.81Å; Y606-F625 HydrophobicContact CD1-CZ 3.81Å; Y606-F625 HydrophobicContact CG-CZ 4.31Å; L607-F625 WeakPolarHBondContact O-CA 3.17Å; L607-F625 WeakPolarHBondContact O-CD2 3.4Å; F608-F625 HydrophobicContact CB-CD2 3.9Å; F608-F625 HydrophobicContact CB-CE2 4.31Å; F608-F625 HydrophobicContact CD2-CB 3.83Å; F608-F625 AromaticContact CD2-CD2 3.74Å; F608-F625 HydrophobicContact CD2-CD2 3.74Å; F608-F625 AromaticContact CD2-CG 3.98Å; F608-F625 HydrophobicContact CD2-CG 3.98Å; F608-F625 HydrophobicContact CE2-CB 4.32Å; F608-F625 HydrophobicContact CG-CD2 4.31Å
626W97Very high92.6Very high2 Ų253.6 Ų53.61%0.00829%0.286CS..EExtended strand (participates in β ladder)trans-134.2148.6-172.8-65.582.8000111.2W245 Q247 E585 P588 Y606 L607 D624W245-W626 HydrophobicContact CB-CE3 4.42Å; W245-W626 HydrophobicContact CE3-CB 4.06Å; W245-W626 HydrophobicContact CZ3-CB 4.09Å; Q247-W626 HydrophobicContact CB-CD2 4.07Å; Q247-W626 HydrophobicContact CB-CE3 3.81Å; Q247-W626 HydrophobicContact CB-CH2 3.75Å; Q247-W626 HydrophobicContact CB-CZ2 4.02Å; Q247-W626 HydrophobicContact CB-CZ3 3.65Å; Q247-W626 HydrophobicContact CG-CD2 4.17Å; Q247-W626 HydrophobicContact CG-CE3 4.41Å; Q247-W626 HydrophobicContact CG-CH2 4.15Å; Q247-W626 HydrophobicContact CG-CZ2 3.89Å; Q247-W626 HydrophobicContact CG-CZ3 4.4Å; Q247-W626 VanDerWaalsContact N-CE3 3.34Å; E585-W626 HydrophobicContact CB-CH2 4.13Å; E585-W626 VanDerWaalsContact O-CH2 3.29Å; E585-W626 WeakPolarHBondContact O-CH2 3.42Å; P588-W626 HydrophobicContact CB-CD2 4.01Å; P588-W626 HydrophobicContact CB-CG 4.02Å; P588-W626 HydrophobicContact CG-CD2 4.37Å; P588-W626 HydrophobicContact CG-CG 4.36Å; Y606-W626 WeakPolarHBondContact CA-O 3.48Å; L607-W626 HydrophobicContact CB-CB 4.35Å; L607-W626 HydrophobicContact CD2-CB 4.42Å; L607-W626 HydrophobicContact CD2-CG 4.48Å; L607-W626 PolarHBondContact N-O 2.81Å; L607-W626 PolarHBondContact O-N 3.01Å; D624-W626 PolarHBondContact OD2-NE1 3.22Å
627S97.1Very high92.9Very high22 Ų2252.6 Ų52.615%0.15427%0.267CS..EExtended strand (participates in β ladder)trans-109.1146.9162.8570000111W245 S246 H605W245-S627 CarbonylContact C-O 3.54Å; W245-S627 WeakPolarHBondContact CA-O 3.47Å; S246-S627 PolarHBondContact N-O 2.88Å; S246-S627 PolarHBondContact O-N 3.14Å; S246-S627 PolarHBondContact O-OG 2.81Å; H605-S627 CarbonylContact O-C 3.47Å; H605-S627 WeakPolarHBondContact O-CA 3.37Å
628L96.3Very high93.3Very high0 Ų050.7 Ų50.70%025%0.253CS..EExtended strand (participates in β ladder)trans-124.8129.6168.8165.369.9000109.3P243 W245 F555 H605 L630P243-L628 HydrophobicContact CB-CD1 3.69Å; W245-L628 HydrophobicContact CD2-CB 3.92Å; W245-L628 HydrophobicContact CD2-CD1 3.99Å; W245-L628 HydrophobicContact CD2-CG 4.45Å; W245-L628 HydrophobicContact CE3-CB 3.64Å; W245-L628 HydrophobicContact CG-CD1 4.26Å; W245-L628 HydrophobicContact CH2-CB 3.7Å; W245-L628 HydrophobicContact CH2-CD2 3.88Å; W245-L628 HydrophobicContact CH2-CG 4.29Å; W245-L628 HydrophobicContact CZ2-CB 3.98Å; W245-L628 HydrophobicContact CZ2-CD1 4.14Å; W245-L628 HydrophobicContact CZ2-CD2 3.64Å; W245-L628 HydrophobicContact CZ2-CG 4.13Å; W245-L628 HydrophobicContact CZ3-CB 3.53Å; F555-L628 HydrophobicContact CD2-CD2 3.73Å; F555-L628 HydrophobicContact CE1-CD2 4.48Å; F555-L628 HydrophobicContact CE2-CD2 3.33Å; F555-L628 HydrophobicContact CG-CD2 4.44Å; F555-L628 HydrophobicContact CZ-CD2 3.74Å; H605-L628 HydrophobicContact CB-CB 4.13Å; H605-L628 PolarHBondContact N-O 3.32Å; H605-L628 PolarHBondContact O-N 3.39Å; L628-L630 HydrophobicContact CD1-CD2 4.26Å; L628-L630 HydrophobicContact CD2-CD2 4.16Å; L628-L630 HydrophobicContact CG-CD2 4.32Å
629K95.1Very high93.8Very high85 Ų8547.7 Ų47.737%0.3723%0.232SC..EExtended strand (participates in β ladder)trans-113.4130.2165.9-73.1-178.6171.4178.60109.3R244 V604R244-K629 PolarHBondContact N-O 2.67Å; R244-K629 VanDerWaalsContact NH2-CD 3.32Å; R244-K629 PolarHBondContact O-N 3.43Å; V604-K629 HydrophobicContact CB-CG 4.48Å; V604-K629 HydrophobicContact CG1-CG 4.13Å; V604-K629 HydrophobicContact CG2-CD 4.27Å; V604-K629 HydrophobicContact CG2-CG 4.01Å
630L92.6Very high94Very high26 Ų2644 Ų4414%0.13622%0.215CC..EExtended strand (participates in β ladder)trans-90.5113.1172.6-61172.7000108.1Y241 F555 I557 V568 L628Y241-L630 VanDerWaalsContact CD1-C 3.48Å; Y241-L630 HydrophobicContact CD1-CB 3.48Å; Y241-L630 VanDerWaalsContact CD1-CB 3.48Å; Y241-L630 HydrophobicContact CE1-CB 3.84Å; Y241-L630 WeakPolarHBondContact CE1-O 3.37Å; Y241-L630 HydrophobicContact CG-CB 4.02Å; F555-L630 HydrophobicContact CD1-CD2 4.21Å; F555-L630 HydrophobicContact CE1-CD1 3.68Å; F555-L630 HydrophobicContact CE1-CD2 3.9Å; F555-L630 HydrophobicContact CE1-CG 4.34Å; F555-L630 HydrophobicContact CZ-CD1 4.07Å; F555-L630 HydrophobicContact CZ-CD2 4.38Å; I557-L630 HydrophobicContact CD1-CD1 4.05Å; V568-L630 HydrophobicContact CG1-CD2 4.17Å; L628-L630 HydrophobicContact CD1-CD2 4.26Å; L628-L630 HydrophobicContact CD2-CD2 4.16Å; L628-L630 HydrophobicContact CG-CD2 4.32Å
631C90.5Very high94.2Very high41 Ų4143 Ų4328%0.27721%0.209SC..EExtended strand (participates in β ladder)trans-109.7126.3-173-61.60000110.8K242K242-C631 PolarHBondContact N-O 3.49Å; K242-C631 PolarHBondContact O-N 3.16Å
632R90.3Very high94.3Very high58 Ų5841.4 Ų41.422%0.21920%0.203CC..PPolyproline II helixtrans-91.6165.2160.6-80.6163.1171.2154.310.9109.3I236 S237 Q239 Y241 E533 S634I236-R632 HydrophobicContact CG2-CB 3.97Å; I236-R632 VanDerWaalsContact O-CD 3.24Å; I236-R632 WeakPolarHBondContact O-CD 3.24Å; S237-R632 PolarHBondContact O-NE 2.8Å; S237-R632 PolarHBondContact O-NH1 2.96Å; S237-R632 PolarHBondContact O-NH2 3.09Å; Q239-R632 HydrophobicContact CB-CG 4.49Å; Q239-R632 PolarHBondContact O-NE 3.4Å; Q239-R632 VanDerWaalsContact O-NE 3.12Å; Y241-R632 HydrophobicContact CD1-CG 3.81Å; Y241-R632 HydrophobicContact CE1-CG 3.84Å; Y241-R632 HydrophobicContact CG-CG 4.29Å; Y241-R632 VanDerWaalsContact CZ-CZ 3.41Å; Y241-R632 PolarHBondContact OH-NH1 3.22Å; Y241-R632 VanDerWaalsContact OH-NH1 3.12Å; E533-R632 IonicContact OE1-CZ 2.92Å; E533-R632 IonicContact OE1-NH1 2.79Å; E533-R632 IonicContact OE1-NH2 2.71Å; E533-R632 PolarHBondContact OE1-NH2 3.48Å; E533-R632 VanDerWaalsContact OE1-NH2 3.08Å; R632-S634 PolarHBondContact O-N 3Å
633P89.4Confident94.4Very high41 Ų4143.7 Ų43.727%0.26621%0.21SC..PPolyproline II helixtrans-53.2132.7173.1-26.436.2000111.4I236 Q239 Y637 L638I236-P633 WeakPolarHBondContact CG2-O 3.47Å; Q239-P633 HydrophobicContact CB-CG 4.22Å; Q239-P633 HydrophobicContact CG-CG 4.13Å; P633-Y637 HydrophobicContact CB-CD1 3.88Å; P633-Y637 HydrophobicContact CB-CE1 4.35Å; P633-L638 HydrophobicContact CB-CD2 4.31Å; P633-L638 HydrophobicContact CB-CG 4.36Å
634S91.1Very high94.4Very high53 Ų5342.3 Ų42.337%0.37120%0.201SC..PPolyproline II helixtrans-77.5162.7-179.591.80000111.4R632 E636 Y637 L638R632-S634 PolarHBondContact O-N 3Å; S634-E636 VanDerWaalsContact C-N 3.26Å; S634-E636 WeakPolarHBondContact CB-OE2 3.44Å; S634-E636 PolarHBondContact O-N 2.89Å; S634-E636 PolarHBondContact OG-N 2.97Å; S634-E636 PolarHBondContact OG-OE2 2.92Å; S634-Y637 PolarHBondContact O-N 3.29Å; S634-Y637 PolarHBondContact OG-N 3.1Å; S634-Y637 VanDerWaalsContact OG-N 3.1Å; S634-L638 PolarHBondContact O-N 3.25Å
635K93.1Very high94.5Very high81 Ų8142.2 Ų42.235%0.35220%0.201SC..Hα-helixtrans-61.4-39.3175.3-66.1-175.8-177.1-171.90111.3V227 N233 I236 L638 L639V227-K635 HydrophobicContact CG1-CB 3.88Å; N233-K635 WeakPolarHBondContact OD1-CE 3.23Å; N233-K635 PolarHBondContact OD1-NZ 2.91Å; I236-K635 HydrophobicContact CD1-CG 3.81Å; K635-L638 PolarHBondContact O-N 3.14Å; K635-L639 VanDerWaalsContact O-CB 3.32Å; K635-L639 WeakPolarHBondContact O-CB 3.41Å; K635-L639 PolarHBondContact O-N 2.88Å
636E93.1Very high94.6Very high130 Ų13041.9 Ų41.961%0.60720%0.199SC*.Hα-helixtrans-66-41.1179-56.369.7-147.100110.9S634 R640S634-E636 VanDerWaalsContact C-N 3.26Å; S634-E636 WeakPolarHBondContact CB-OE2 3.44Å; S634-E636 PolarHBondContact O-N 2.89Å; S634-E636 PolarHBondContact OG-N 2.97Å; S634-E636 PolarHBondContact OG-OE2 2.92Å; E636-R640 WeakPolarHBondContact O-CB 3.39Å; E636-R640 PolarHBondContact O-N 3.35Å
637Y92.8Very high94.6Very high92 Ų9243.8 Ų43.836%0.36121%0.206SC..Hα-helixtrans-61.3-51.1173.5171.9-94.7000111.3P633 S634 L639 R640 H641P633-Y637 HydrophobicContact CB-CD1 3.88Å; P633-Y637 HydrophobicContact CB-CE1 4.35Å; S634-Y637 PolarHBondContact O-N 3.29Å; S634-Y637 PolarHBondContact OG-N 3.1Å; S634-Y637 VanDerWaalsContact OG-N 3.1Å; Y637-L639 VanDerWaalsContact C-N 3.31Å; Y637-L639 PolarHBondContact O-N 2.91Å; Y637-R640 PolarHBondContact O-N 3.3Å; Y637-H641 WeakPolarHBondContact O-CB 3.45Å; Y637-H641 PolarHBondContact O-N 2.94Å
638L94.1Very high94.5Very high4 Ų445.2 Ų45.22%0.02121%0.21CC..Hα-helixtrans-64.2-37.3-179-70-178.1000112.5F232 Y235 I236 P633 S634 K635 H641 C642 F724F232-L638 HydrophobicContact CB-CD1 4.35Å; F232-L638 HydrophobicContact CD2-CB 3.83Å; F232-L638 HydrophobicContact CD2-CD1 3.89Å; F232-L638 HydrophobicContact CE2-CB 4.16Å; Y235-L638 HydrophobicContact CD1-CD1 3.84Å; Y235-L638 HydrophobicContact CE1-CD1 4.2Å; Y235-L638 HydrophobicContact CE1-CD2 4.06Å; I236-L638 HydrophobicContact CD1-CD1 3.87Å; I236-L638 HydrophobicContact CG1-CD1 3.38Å; P633-L638 HydrophobicContact CB-CD2 4.31Å; P633-L638 HydrophobicContact CB-CG 4.36Å; S634-L638 PolarHBondContact O-N 3.25Å; K635-L638 PolarHBondContact O-N 3.14Å; L638-H641 PolarHBondContact O-N 3.22Å; L638-C642 WeakPolarHBondContact O-CB 3.47Å; L638-C642 PolarHBondContact O-N 3.17Å; L638-C642 PolarHBondContact O-SG 2.96Å; L638-F724 HydrophobicContact CD2-CD1 4.36Å; L638-F724 HydrophobicContact CD2-CE1 4.23Å
639L95.9Very high94.3Very high28 Ų2846.8 Ų46.815%0.14722%0.216CC..Hα-helixtrans-61.7-49.6174175.957.5000111.3I223 D224 V227 K635 Y637 H641 C642 R643I223-L639 HydrophobicContact CG2-CD1 3.85Å; D224-L639 WeakPolarHBondContact OD1-CD1 3.41Å; D224-L639 WeakPolarHBondContact OD1-CD2 3.18Å; V227-L639 HydrophobicContact CG1-CB 4.46Å; V227-L639 HydrophobicContact CG2-CB 4.21Å; V227-L639 HydrophobicContact CG2-CD1 4.3Å; K635-L639 VanDerWaalsContact O-CB 3.32Å; K635-L639 WeakPolarHBondContact O-CB 3.41Å; K635-L639 PolarHBondContact O-N 2.88Å; Y637-L639 VanDerWaalsContact C-N 3.31Å; Y637-L639 PolarHBondContact O-N 2.91Å; L639-H641 VanDerWaalsContact C-N 3.29Å; L639-H641 PolarHBondContact O-N 2.62Å; L639-C642 PolarHBondContact O-N 2.95Å; L639-R643 WeakPolarHBondContact O-CG 3.32Å; L639-R643 PolarHBondContact O-N 3.2Å
640R96.3Very high94.3Very high54 Ų5445.1 Ų45.120%0.20421%0.207CC..Hα-helixtrans-57.9-44175.7-179.7178.868.178.8-6.8111E636 Y637 R643 Y644 T673 E681E636-R640 WeakPolarHBondContact O-CB 3.39Å; E636-R640 PolarHBondContact O-N 3.35Å; Y637-R640 PolarHBondContact O-N 3.3Å; R640-R643 PolarHBondContact O-N 2.68Å; R640-Y644 PolarHBondContact O-N 3.47Å; R640-T673 WeakPolarHBondContact CD-O 3.22Å; R640-T673 WeakPolarHBondContact CG-O 3.31Å; R640-T673 PolarHBondContact NH1-O 2.85Å; R640-E681 IonicContact CZ-OE1 3.86Å; R640-E681 IonicContact CZ-OE2 3.15Å; R640-E681 IonicContact NH1-OE1 3.01Å; R640-E681 PolarHBondContact NH1-OE1 3.08Å; R640-E681 IonicContact NH1-OE2 3.34Å; R640-E681 PolarHBondContact NH1-OE2 2.99Å; R640-E681 IonicContact NH2-OE1 2.76Å; R640-E681 PolarHBondContact NH2-OE1 2.86Å; R640-E681 IonicContact NH2-OE2 3.71Å; R640-E681 PolarHBondContact NH2-OE2 3.42Å
641H95.5Very high94.4Very high51 Ų5143.9 Ų43.924%0.23620%0.201CC..Hα-helixtrans-64.8-43.8179.7-173.268.7000112.4Y637 L638 L639 R643 Y644 L645 F724Y637-H641 WeakPolarHBondContact O-CB 3.45Å; Y637-H641 PolarHBondContact O-N 2.94Å; L638-H641 PolarHBondContact O-N 3.22Å; L639-H641 VanDerWaalsContact C-N 3.29Å; L639-H641 PolarHBondContact O-N 2.62Å; H641-R643 VanDerWaalsContact C-N 3.34Å; H641-R643 PolarHBondContact O-N 3.17Å; H641-Y644 WeakPolarHBondContact O-CB 3.39Å; H641-Y644 PolarHBondContact O-N 3.3Å; H641-L645 WeakPolarHBondContact O-CG 3.36Å; H641-L645 PolarHBondContact O-N 3.18Å; H641-F724 AromaticContact CD2-CZ 3.91Å
642C97.1Very high94.5Very high0 Ų044.4 Ų44.40%020%0.199CC..Hα-helixtrans-62.3-41.8174.9-69.50000111.9I223 L638 L639 Y644 L645 I646 L721I223-C642 HydrophobicContact CG2-CB 3.64Å; L638-C642 WeakPolarHBondContact O-CB 3.47Å; L638-C642 PolarHBondContact O-N 3.17Å; L638-C642 PolarHBondContact O-SG 2.96Å; L639-C642 PolarHBondContact O-N 2.95Å; C642-Y644 VanDerWaalsContact C-N 3.35Å; C642-L645 PolarHBondContact O-N 2.96Å; C642-I646 VanDerWaalsContact O-CG1 3.29Å; C642-I646 WeakPolarHBondContact O-CG1 3.4Å; C642-I646 PolarHBondContact O-N 2.89Å; C642-L721 HydrophobicContact CB-CD2 3.98Å
643R97.3Very high94.5Very high74 Ų7443 Ų4328%0.27920%0.195SC..Hα-helixtrans-60.9-44.2172.8-70.9-179177.7163-4.3111.3E220 D224 L639 R640 H641 L645 I646 R647 T673E220-R643 HydrophobicContact CB-CG 4.5Å; E220-R643 HydrophobicContact CG-CG 4.03Å; E220-R643 IonicContact OE2-NE 3.74Å; D224-R643 IonicContact OD1-CZ 3.32Å; D224-R643 IonicContact OD1-NH2 3.65Å; D224-R643 PolarHBondContact OD1-NH2 2.68Å; D224-R643 IonicContact OD2-CZ 2.78Å; D224-R643 IonicContact OD2-NE 3.39Å; D224-R643 IonicContact OD2-NH2 2.68Å; D224-R643 PolarHBondContact OD2-NH2 2.89Å; L639-R643 WeakPolarHBondContact O-CG 3.32Å; L639-R643 PolarHBondContact O-N 3.2Å; R640-R643 PolarHBondContact O-N 2.68Å; H641-R643 VanDerWaalsContact C-N 3.34Å; H641-R643 PolarHBondContact O-N 3.17Å; R643-L645 VanDerWaalsContact C-N 3.32Å; R643-L645 PolarHBondContact O-N 3.02Å; R643-I646 PolarHBondContact O-N 2.99Å; R643-R647 WeakPolarHBondContact O-CB 3.11Å; R643-R647 VanDerWaalsContact O-CG 3.25Å; R643-R647 WeakPolarHBondContact O-CG 3.43Å; R643-R647 PolarHBondContact O-N 3.33Å; R643-T673 HydrophobicContact CB-CG2 3.92Å
644Y96.9Very high94.6Very high16 Ų1643.6 Ų43.66%0.06319%0.194CC..Hα-helixtrans-55.1-47.2174.4169.2-95.8000111.6R640 H641 C642 R647 K648 L670 T673 V674 L688R640-Y644 PolarHBondContact O-N 3.47Å; H641-Y644 WeakPolarHBondContact O-CB 3.39Å; H641-Y644 PolarHBondContact O-N 3.3Å; C642-Y644 VanDerWaalsContact C-N 3.35Å; Y644-R647 PolarHBondContact O-N 3.12Å; Y644-K648 HydrophobicContact CE1-CD 4Å; Y644-K648 WeakPolarHBondContact O-CB 3.31Å; Y644-K648 PolarHBondContact O-N 2.84Å; Y644-L670 HydrophobicContact CD2-CD1 4.18Å; Y644-T673 WeakPolarHBondContact CA-OG1 3.32Å; Y644-V674 HydrophobicContact CD2-CG2 3.79Å; Y644-V674 HydrophobicContact CE2-CG2 3.83Å; Y644-L688 HydrophobicContact CE2-CD1 4.48Å
645L96.9Very high94.7Very high22 Ų2241.3 Ų41.312%0.11518%0.178CC..Hα-helixtrans-59.7-49.4177.2-66.7174.2000111.8H641 C642 R643 R647 K648 Y649 L717 T720 L721 F724H641-L645 WeakPolarHBondContact O-CG 3.36Å; H641-L645 PolarHBondContact O-N 3.18Å; C642-L645 PolarHBondContact O-N 2.96Å; R643-L645 VanDerWaalsContact C-N 3.32Å; R643-L645 PolarHBondContact O-N 3.02Å; L645-R647 PolarHBondContact O-N 2.92Å; L645-K648 PolarHBondContact O-N 3.28Å; L645-Y649 WeakPolarHBondContact O-CD2 3.29Å; L645-Y649 PolarHBondContact O-N 3.45Å; L645-Y649 VanDerWaalsContact O-N 3.12Å; L645-L717 HydrophobicContact CB-CD1 3.89Å; L645-T720 HydrophobicContact CD1-CG2 4.03Å; L645-L721 HydrophobicContact CD1-CD2 4.29Å; L645-F724 HydrophobicContact CD1-CE2 4.11Å; L645-F724 HydrophobicContact CD1-CZ 4.43Å
646I97.4Very high94.4Very high0 Ų042.1 Ų42.10%018%0.183CC..Hα-helixtrans-58.6-51.2179.1-68.4168000110.7F216 C219 E220 I223 C642 R643 K648 Y649 R650 L717 L721F216-I646 HydrophobicContact CB-CG2 3.96Å; F216-I646 HydrophobicContact CD1-CG2 3.81Å; F216-I646 HydrophobicContact CG-CG2 4.38Å; C219-I646 HydrophobicContact CB-CD1 4.23Å; E220-I646 HydrophobicContact CG-CB 4.48Å; E220-I646 HydrophobicContact CG-CD1 4.06Å; E220-I646 HydrophobicContact CG-CG2 4.04Å; I223-I646 HydrophobicContact CG1-CD1 3.97Å; C642-I646 VanDerWaalsContact O-CG1 3.29Å; C642-I646 WeakPolarHBondContact O-CG1 3.4Å; C642-I646 PolarHBondContact O-N 2.89Å; R643-I646 PolarHBondContact O-N 2.99Å; I646-K648 VanDerWaalsContact C-N 3.35Å; I646-K648 PolarHBondContact O-N 2.81Å; I646-Y649 PolarHBondContact O-N 2.88Å; I646-R650 PolarHBondContact O-N 2.87Å; I646-L717 HydrophobicContact CG1-CD2 4.48Å; I646-L721 HydrophobicContact CD1-CD1 4.18Å; I646-L721 HydrophobicContact CG1-CD1 3.88Å; I646-L721 HydrophobicContact CG1-CD2 4.4Å
647R97.1Very high94.1Very high41 Ų4139.9 Ų39.916%0.15518%0.182CC..Hα-helixtrans-67.4-34.7-179-65.3-166-172.8-169-4.6112.1E220 R643 Y644 L645 R650 F651 Y665 D669 L670E220-R647 WeakPolarHBondContact OE1-CG 3.46Å; E220-R647 IonicContact OE1-CZ 3.56Å; E220-R647 IonicContact OE1-NE 3.48Å; E220-R647 PolarHBondContact OE1-NE 3.49Å; E220-R647 IonicContact OE1-NH2 3.9Å; E220-R647 IonicContact OE2-CZ 2.69Å; E220-R647 IonicContact OE2-NE 2.7Å; E220-R647 PolarHBondContact OE2-NE 2.89Å; E220-R647 IonicContact OE2-NH2 3.29Å; E220-R647 PolarHBondContact OE2-NH2 3.43Å; R643-R647 WeakPolarHBondContact O-CB 3.11Å; R643-R647 VanDerWaalsContact O-CG 3.25Å; R643-R647 WeakPolarHBondContact O-CG 3.43Å; R643-R647 PolarHBondContact O-N 3.33Å; Y644-R647 PolarHBondContact O-N 3.12Å; L645-R647 PolarHBondContact O-N 2.92Å; R647-R650 PolarHBondContact O-N 3.01Å; R647-F651 WeakPolarHBondContact O-CB 3.43Å; R647-F651 PolarHBondContact O-N 3.35Å; R647-Y665 WeakPolarHBondContact CA-OH 3.43Å; R647-Y665 HydrophobicContact CB-CE1 4.26Å; R647-Y665 VanDerWaalsContact CB-OH 3.24Å; R647-Y665 WeakPolarHBondContact CB-OH 3.23Å; R647-Y665 WeakPolarHBondContact CG-OH 3.4Å; R647-Y665 WeakPolarHBondContact O-CE1 3.48Å; R647-D669 PolarHBondContact NH1-O 3.4Å; R647-L670 VanDerWaalsContact C-CD1 3.45Å; R647-L670 HydrophobicContact CB-CD1 3.24Å
648K95.3Very high94.1Very high53 Ų5339.7 Ų39.723%0.2318%0.184CC..Hα-helixtrans-61.6-47.8176.6176.3-178.2174.4176.70110.5Y644 L645 I646 F651 E652 L670 L688Y644-K648 HydrophobicContact CE1-CD 4Å; Y644-K648 WeakPolarHBondContact O-CB 3.31Å; Y644-K648 PolarHBondContact O-N 2.84Å; L645-K648 PolarHBondContact O-N 3.28Å; I646-K648 VanDerWaalsContact C-N 3.35Å; I646-K648 PolarHBondContact O-N 2.81Å; K648-F651 WeakPolarHBondContact O-CB 3.37Å; K648-F651 PolarHBondContact O-N 3.14Å; K648-E652 WeakPolarHBondContact O-CG 3.16Å; K648-E652 PolarHBondContact O-N 3.05Å; K648-L670 HydrophobicContact CB-CD1 4.28Å; K648-L670 VanDerWaalsContact N-CD1 3.33Å; K648-L688 HydrophobicContact CD-CD2 4.13Å; K648-L688 HydrophobicContact CG-CD2 4.05Å
649Y93.3Very high93.9Very high33 Ų3342.7 Ų42.713%0.12920%0.204CC..Hα-helixtrans-63.7-42.6175.2-89.5-91000112L645 I646 F651 E652 E653 Q713 L717L645-Y649 WeakPolarHBondContact O-CD2 3.29Å; L645-Y649 PolarHBondContact O-N 3.45Å; L645-Y649 VanDerWaalsContact O-N 3.12Å; I646-Y649 PolarHBondContact O-N 2.88Å; Y649-F651 VanDerWaalsContact C-N 3.25Å; Y649-F651 PolarHBondContact O-N 2.75Å; Y649-E652 PolarHBondContact O-N 2.76Å; Y649-E652 VanDerWaalsContact O-N 3.11Å; Y649-E653 PolarHBondContact O-N 2.89Å; Y649-Q713 HydrophobicContact CE1-CB 4.25Å; Y649-Q713 WeakPolarHBondContact CE1-O 3.26Å; Y649-L717 HydrophobicContact CD1-CB 4.2Å; Y649-L717 HydrophobicContact CD2-CB 3.88Å; Y649-L717 HydrophobicContact CD2-CD1 3.66Å; Y649-L717 HydrophobicContact CD2-CD2 3.79Å; Y649-L717 HydrophobicContact CD2-CG 3.96Å; Y649-L717 HydrophobicContact CE1-CB 4.18Å; Y649-L717 HydrophobicContact CE2-CB 3.85Å; Y649-L717 HydrophobicContact CE2-CD1 3.85Å; Y649-L717 HydrophobicContact CE2-CG 4.27Å; Y649-L717 HydrophobicContact CG-CB 4.04Å; Y649-L717 HydrophobicContact CG-CD1 4.45Å; Y649-L717 HydrophobicContact CG-CD2 3.76Å; Y649-L717 HydrophobicContact CG-CG 4.29Å
650R94.8Very high93.7Very high50 Ų5047.1 Ų47.119%0.18923%0.227CC..Hα-helixtrans-58-39173.7-170.6-179.8-168.1175.64.8112F216 D217 I646 R647 K654 Y665F216-R650 HydrophobicContact CB-CG 4.47Å; F216-R650 HydrophobicContact CD1-CB 3.92Å; F216-R650 HydrophobicContact CD1-CG 4.43Å; F216-R650 HydrophobicContact CD2-CB 3.93Å; F216-R650 HydrophobicContact CD2-CG 3.54Å; F216-R650 HydrophobicContact CE1-CB 4.01Å; F216-R650 HydrophobicContact CE2-CB 4.02Å; F216-R650 HydrophobicContact CE2-CG 3.78Å; F216-R650 HydrophobicContact CG-CB 3.88Å; F216-R650 HydrophobicContact CG-CG 3.9Å; F216-R650 HydrophobicContact CZ-CB 4.05Å; F216-R650 HydrophobicContact CZ-CG 4.33Å; D217-R650 IonicContact OD1-CZ 3.82Å; D217-R650 IonicContact OD1-NH1 3.32Å; D217-R650 PolarHBondContact OD1-NH1 3.25Å; D217-R650 IonicContact OD1-NH2 2.78Å; D217-R650 IonicContact OD2-CZ 2.76Å; D217-R650 IonicContact OD2-NH1 3.91Å; D217-R650 PolarHBondContact OD2-NH1 3.48Å; D217-R650 IonicContact OD2-NH2 3.87Å; D217-R650 PolarHBondContact OD2-NH2 3.47Å; I646-R650 PolarHBondContact O-N 2.87Å; R647-R650 PolarHBondContact O-N 3.01Å; R650-K654 HydrophobicContact CG-CD 4.42Å; R650-K654 WeakPolarHBondContact O-CB 3.08Å; R650-K654 VanDerWaalsContact O-CG 3.28Å; R650-K654 WeakPolarHBondContact O-CG 3.4Å; R650-K654 PolarHBondContact O-N 2.92Å; R650-Y665 HydrophobicContact CB-CE1 4.34Å; R650-Y665 WeakPolarHBondContact CD-OH 3.41Å; R650-Y665 HydrophobicContact CG-CE1 4.44Å
651F95.3Very high93.7Very high0 Ų047.9 Ų47.90%024%0.235CC..Hα-helixtrans-64.4-44.7174.5165.1-102.6000111.6R647 K648 Y649 E653 K654 A655 A662 Y665 L666 L688 A691 L692R647-F651 WeakPolarHBondContact O-CB 3.43Å; R647-F651 PolarHBondContact O-N 3.35Å; K648-F651 WeakPolarHBondContact O-CB 3.37Å; K648-F651 PolarHBondContact O-N 3.14Å; Y649-F651 VanDerWaalsContact C-N 3.25Å; Y649-F651 PolarHBondContact O-N 2.75Å; F651-E653 PolarHBondContact O-N 2.79Å; F651-K654 CarbonylContact O-C 3.56Å; F651-K654 PolarHBondContact O-N 3.11Å; F651-A655 HydrophobicContact CZ-CB 4.48Å; F651-A655 VanDerWaalsContact O-CB 3.32Å; F651-A655 WeakPolarHBondContact O-CB 3.48Å; F651-A655 PolarHBondContact O-N 2.98Å; F651-A662 HydrophobicContact CD2-CB 4.04Å; F651-A662 WeakPolarHBondContact CD2-O 3.06Å; F651-A662 HydrophobicContact CE2-CB 3.94Å; F651-A662 WeakPolarHBondContact CE2-O 3.47Å; F651-Y665 HydrophobicContact CB-CD1 3.98Å; F651-Y665 HydrophobicContact CB-CE1 4.13Å; F651-L666 HydrophobicContact CD2-CB 3.83Å; F651-L666 HydrophobicContact CD2-CD1 4.33Å; F651-L666 HydrophobicContact CE1-CD1 4.48Å; F651-L666 HydrophobicContact CE2-CB 3.7Å; F651-L666 HydrophobicContact CE2-CD1 4.29Å; F651-L666 HydrophobicContact CE2-CD2 4Å; F651-L666 HydrophobicContact CE2-CG 4.21Å; F651-L666 HydrophobicContact CG-CD1 4.44Å; F651-L666 HydrophobicContact CZ-CB 4.45Å; F651-L666 HydrophobicContact CZ-CD1 4.36Å; F651-L666 HydrophobicContact CZ-CD2 3.95Å; F651-L666 HydrophobicContact CZ-CG 4.5Å; F651-L688 HydrophobicContact CD1-CB 4.46Å; F651-L688 HydrophobicContact CE1-CB 3.96Å; F651-L688 VanDerWaalsContact CE1-O 3.31Å; F651-L688 WeakPolarHBondContact CE1-O 3.24Å; F651-A691 HydrophobicContact CE1-CB 3.94Å; F651-L692 HydrophobicContact CE2-CD2 4.26Å; F651-L692 HydrophobicContact CZ-CD2 4.31Å; F651-L692 HydrophobicContact CZ-CG 4.17Å
652E91.5Very high93.6Very high51 Ų5145.4 Ų45.424%0.23822%0.224CC..Hα-helixtrans-63-40178.8-71.4175.8176.500112.2K648 Y649 A655 Q656 A691K648-E652 WeakPolarHBondContact O-CG 3.16Å; K648-E652 PolarHBondContact O-N 3.05Å; Y649-E652 PolarHBondContact O-N 2.76Å; Y649-E652 VanDerWaalsContact O-N 3.11Å; E652-A655 PolarHBondContact O-N 2.92Å; E652-Q656 PolarHBondContact O-N 2.88Å; E652-A691 HydrophobicContact CG-CB 4.48Å
653E90.6Very high93.5Very high28 Ų2848.4 Ų48.413%0.13124%0.239CC..Hα-helixtrans-64.9-43.6172.8-72-174.5-167.200112.3Y649 F651 A655 Q656 S657 T710 R714Y649-E653 PolarHBondContact O-N 2.89Å; F651-E653 PolarHBondContact O-N 2.79Å; E653-A655 VanDerWaalsContact C-N 3.3Å; E653-A655 PolarHBondContact O-N 2.97Å; E653-Q656 PolarHBondContact O-N 2.79Å; E653-S657 PolarHBondContact O-N 3.13Å; E653-S657 PolarHBondContact O-OG 3.36Å; E653-T710 HydrophobicContact CG-CG2 4.47Å; E653-R714 VanDerWaalsContact OE1-CG 3.3Å; E653-R714 WeakPolarHBondContact OE1-CG 3Å; E653-R714 IonicContact OE1-CZ 3.77Å; E653-R714 IonicContact OE1-NE 3.62Å; E653-R714 PolarHBondContact OE1-NE 3.44Å; E653-R714 IonicContact OE1-NH2 2.85Å; E653-R714 IonicContact OE2-CZ 3.69Å; E653-R714 IonicContact OE2-NE 3.55Å; E653-R714 PolarHBondContact OE2-NE 3.49Å; E653-R714 IonicContact OE2-NH2 2.66Å; E653-R714 PolarHBondContact OE2-NH2 3.19Å
654K91.9Very high93.5Very high55 Ų5550.2 Ų50.224%0.23925%0.249CC..Hα-helixtrans-64.6-34.7175.4-76.6-178.9172.3-61.90112.1R650 F651 Q656 S657 E658 A662 Y665R650-K654 HydrophobicContact CG-CD 4.42Å; R650-K654 WeakPolarHBondContact O-CB 3.08Å; R650-K654 VanDerWaalsContact O-CG 3.28Å; R650-K654 WeakPolarHBondContact O-CG 3.4Å; R650-K654 PolarHBondContact O-N 2.92Å; F651-K654 CarbonylContact O-C 3.56Å; F651-K654 PolarHBondContact O-N 3.11Å; K654-Q656 PolarHBondContact O-N 2.82Å; K654-S657 PolarHBondContact O-N 3.48Å; K654-E658 CarbonylContact O-C 3.57Å; K654-E658 WeakPolarHBondContact O-CA 3.23Å; K654-E658 PolarHBondContact O-N 2.83Å; K654-A662 HydrophobicContact CB-CB 3.69Å; K654-Y665 HydrophobicContact CD-CG 4.27Å
655A91.9Very high93.4Very high5 Ų550.3 Ų50.34%0.04125%0.249CC..Hα-helixtrans-63.3-32.6-17900000111.9F651 E652 E653 P659 A662 A691 L692F651-A655 HydrophobicContact CZ-CB 4.48Å; F651-A655 VanDerWaalsContact O-CB 3.32Å; F651-A655 WeakPolarHBondContact O-CB 3.48Å; F651-A655 PolarHBondContact O-N 2.98Å; E652-A655 PolarHBondContact O-N 2.92Å; E653-A655 VanDerWaalsContact C-N 3.3Å; E653-A655 PolarHBondContact O-N 2.97Å; A655-P659 WeakPolarHBondContact O-CG 3.3Å; A655-A662 HydrophobicContact CB-CB 4.21Å; A655-A691 HydrophobicContact CB-CB 4.48Å; A655-L692 HydrophobicContact CB-CD2 3.81Å
656Q86.5Confident93.4Very high97 Ų9749.6 Ų49.645%0.45325%0.246SC..Hα-helixtrans-79-33.8178.2-63.3175.629.500112.8E652 E653 K654E652-Q656 PolarHBondContact O-N 2.88Å; E653-Q656 PolarHBondContact O-N 2.79Å; K654-Q656 PolarHBondContact O-N 2.82Å
657S86.9Confident93.3Very high83 Ų8355 Ų5558%0.5827%0.271SS*.Hα-helixtrans-97.9-42.2-172.550.50000113.7E653 K654E653-S657 PolarHBondContact O-N 3.13Å; E653-S657 PolarHBondContact O-OG 3.36Å; K654-S657 PolarHBondContact O-N 3.48Å
658E92.8Very high93.2Very high89 Ų8957.7 Ų57.742%0.41629%0.289SS..  trans-140.771.3-173.7-58.1-171.212600111.9K654 L660 N661 A662K654-E658 CarbonylContact O-C 3.57Å; K654-E658 WeakPolarHBondContact O-CA 3.23Å; K654-E658 PolarHBondContact O-N 2.83Å; E658-L660 VanDerWaalsContact C-N 3.26Å; E658-L660 PolarHBondContact O-N 3Å; E658-N661 HydrophobicContact CB-CB 3.96Å; E658-N661 VanDerWaalsContact CD-ND2 3.31Å; E658-N661 PolarHBondContact O-N 3.23Å; E658-N661 PolarHBondContact OE1-ND2 2.75Å; E658-N661 PolarHBondContact OE2-ND2 3.39Å; E658-A662 PolarHBondContact O-N 3.05Å
659P90.9Very high93.2Very high66 Ų6658.3 Ų58.343%0.42929%0.294SS..Hα-helixtrans-54.6-36.6-170.4-25.630.6000114.8A655 A662 L663 L692A655-P659 WeakPolarHBondContact O-CG 3.3Å; P659-A662 WeakPolarHBondContact O-CB 3.42Å; P659-A662 PolarHBondContact O-N 2.98Å; P659-L663 PolarHBondContact O-N 2.94Å; P659-L692 HydrophobicContact CB-CD2 4.17Å
660L92.4Very high93.3Very high122 Ų12256.7 Ų56.764%0.63929%0.288SS*.Hα-helixtrans-70.6-39.2179.3-173.365.5000112.4E658 K664E658-L660 VanDerWaalsContact C-N 3.26Å; E658-L660 PolarHBondContact O-N 3Å; L660-K664 PolarHBondContact O-N 3.46Å
661N94.4Very high93.4Very high69 Ų6955.6 Ų55.637%0.36929%0.288SS..Hα-helixtrans-70.7-37.4174.8-72.6-17.3000110.6E658 L663 K664 Y665E658-N661 HydrophobicContact CB-CB 3.96Å; E658-N661 VanDerWaalsContact CD-ND2 3.31Å; E658-N661 PolarHBondContact O-N 3.23Å; E658-N661 PolarHBondContact OE1-ND2 2.75Å; E658-N661 PolarHBondContact OE2-ND2 3.39Å; N661-L663 VanDerWaalsContact C-N 3.32Å; N661-L663 PolarHBondContact O-N 2.86Å; N661-K664 PolarHBondContact O-N 3.21Å; N661-Y665 WeakPolarHBondContact O-CB 3.32Å; N661-Y665 PolarHBondContact O-N 3.35Å
662A94.8Very high93.4Very high0 Ų062 Ų620%032%0.321CS..Hα-helixtrans-58.4-43.7174.100000111.8F651 K654 A655 E658 P659 K664 Y665 L666 L692F651-A662 HydrophobicContact CD2-CB 4.04Å; F651-A662 WeakPolarHBondContact CD2-O 3.06Å; F651-A662 HydrophobicContact CE2-CB 3.94Å; F651-A662 WeakPolarHBondContact CE2-O 3.47Å; K654-A662 HydrophobicContact CB-CB 3.69Å; A655-A662 HydrophobicContact CB-CB 4.21Å; E658-A662 PolarHBondContact O-N 3.05Å; P659-A662 WeakPolarHBondContact O-CB 3.42Å; P659-A662 PolarHBondContact O-N 2.98Å; A662-K664 PolarHBondContact O-N 3.32Å; A662-Y665 WeakPolarHBondContact O-CB 3.29Å; A662-Y665 PolarHBondContact O-N 3.25Å; A662-L666 WeakPolarHBondContact O-CB 3.45Å; A662-L666 PolarHBondContact O-N 2.9Å; A662-L692 HydrophobicContact CB-CD2 3.87Å
663L94.7Very high93.6Very high62 Ų6259.8 Ų59.833%0.32531%0.312SS..Hα-helixtrans-62.5-42.3176.8-176.563.4000112.3P659 N661 Y665 L666 Q667 L692P659-L663 PolarHBondContact O-N 2.94Å; N661-L663 VanDerWaalsContact C-N 3.32Å; N661-L663 PolarHBondContact O-N 2.86Å; L663-Y665 VanDerWaalsContact C-N 3.33Å; L663-L666 WeakPolarHBondContact O-CB 3.44Å; L663-L666 PolarHBondContact O-N 3.45Å; L663-Q667 WeakPolarHBondContact O-CG 3.35Å; L663-Q667 PolarHBondContact O-N 2.63Å; L663-Q667 VanDerWaalsContact O-N 3.16Å; L663-L692 HydrophobicContact CB-CD1 4.42Å; L663-L692 HydrophobicContact CD1-CD1 4.12Å
664K96.1Very high93.8Very high112 Ų11258.9 Ų58.949%0.48731%0.308SS..Hα-helixtrans-63.2-41.1175.1-70.6177.2-179.4174.50111.8L660 N661 A662 Q667 N668L660-K664 PolarHBondContact O-N 3.46Å; N661-K664 PolarHBondContact O-N 3.21Å; A662-K664 PolarHBondContact O-N 3.32Å; K664-Q667 PolarHBondContact O-N 2.88Å; K664-N668 WeakPolarHBondContact O-CB 3.39Å; K664-N668 PolarHBondContact O-N 2.87Å; K664-N668 PolarHBondContact O-ND2 2.96Å
665Y96.6Very high93.9Very high18 Ų1859 Ų597%0.07131%0.311CS..Hα-helixtrans-65.1-41.8177.7-178.8-97.8000111.9R647 R650 F651 K654 N661 A662 L663 Q667 D669 L670R647-Y665 WeakPolarHBondContact CA-OH 3.43Å; R647-Y665 HydrophobicContact CB-CE1 4.26Å; R647-Y665 VanDerWaalsContact CB-OH 3.24Å; R647-Y665 WeakPolarHBondContact CB-OH 3.23Å; R647-Y665 WeakPolarHBondContact CG-OH 3.4Å; R647-Y665 WeakPolarHBondContact O-CE1 3.48Å; R650-Y665 HydrophobicContact CB-CE1 4.34Å; R650-Y665 WeakPolarHBondContact CD-OH 3.41Å; R650-Y665 HydrophobicContact CG-CE1 4.44Å; F651-Y665 HydrophobicContact CB-CD1 3.98Å; F651-Y665 HydrophobicContact CB-CE1 4.13Å; K654-Y665 HydrophobicContact CD-CG 4.27Å; N661-Y665 WeakPolarHBondContact O-CB 3.32Å; N661-Y665 PolarHBondContact O-N 3.35Å; A662-Y665 WeakPolarHBondContact O-CB 3.29Å; A662-Y665 PolarHBondContact O-N 3.25Å; L663-Y665 VanDerWaalsContact C-N 3.33Å; Y665-Q667 VanDerWaalsContact C-N 3.3Å; Y665-Q667 PolarHBondContact O-N 3.18Å; Y665-D669 HydrophobicContact CD2-CB 3.53Å; Y665-D669 WeakPolarHBondContact CD2-OD2 3.26Å; Y665-D669 HydrophobicContact CE2-CB 3.39Å; Y665-D669 HydrophobicContact CG-CB 4.19Å; Y665-D669 WeakPolarHBondContact O-CA 3.1Å; Y665-D669 WeakPolarHBondContact O-CB 3.38Å; Y665-D669 PolarHBondContact O-N 2.88Å; Y665-L670 PolarHBondContact O-N 2.9Å
666L96.1Very high93.9Very high7 Ų763.3 Ų63.34%0.03733%0.33CS..Iπ-helixtrans-56.3-45.6174.4-178.664.6000111.6F651 A662 L663 L670 S671 F685 L688 P689F651-L666 HydrophobicContact CD2-CB 3.83Å; F651-L666 HydrophobicContact CD2-CD1 4.33Å; F651-L666 HydrophobicContact CE1-CD1 4.48Å; F651-L666 HydrophobicContact CE2-CB 3.7Å; F651-L666 HydrophobicContact CE2-CD1 4.29Å; F651-L666 HydrophobicContact CE2-CD2 4Å; F651-L666 HydrophobicContact CE2-CG 4.21Å; F651-L666 HydrophobicContact CG-CD1 4.44Å; F651-L666 HydrophobicContact CZ-CB 4.45Å; F651-L666 HydrophobicContact CZ-CD1 4.36Å; F651-L666 HydrophobicContact CZ-CD2 3.95Å; F651-L666 HydrophobicContact CZ-CG 4.5Å; A662-L666 WeakPolarHBondContact O-CB 3.45Å; A662-L666 PolarHBondContact O-N 2.9Å; L663-L666 WeakPolarHBondContact O-CB 3.44Å; L663-L666 PolarHBondContact O-N 3.45Å; L666-L670 HydrophobicContact CD1-CB 4.28Å; L666-L670 HydrophobicContact CD1-CD2 3.39Å; L666-L670 HydrophobicContact CD1-CG 4.36Å; L666-S671 PolarHBondContact O-N 2.75Å; L666-S671 VanDerWaalsContact O-N 3.15Å; L666-F685 HydrophobicContact CD1-CD2 4.19Å; L666-F685 HydrophobicContact CD1-CE2 3.51Å; L666-F685 HydrophobicContact CD1-CZ 4.05Å; L666-F685 HydrophobicContact CG-CE2 4.15Å; L666-F685 HydrophobicContact CG-CZ 4.18Å; L666-L688 HydrophobicContact CD1-CB 4.02Å; L666-L688 HydrophobicContact CD1-CD1 4Å; L666-P689 HydrophobicContact CD2-CB 4.49Å; L666-P689 HydrophobicContact CD2-CG 3.77Å
667Q94.6Very high94.2Very high114 Ų11464.5 Ų64.553%0.53334%0.344SS..Iπ-helixtrans-71.6-42.3-176.7-71.6174-20.800113.4L663 K664 Y665 S671L663-Q667 WeakPolarHBondContact O-CG 3.35Å; L663-Q667 PolarHBondContact O-N 2.63Å; L663-Q667 VanDerWaalsContact O-N 3.16Å; K664-Q667 PolarHBondContact O-N 2.88Å; Y665-Q667 VanDerWaalsContact C-N 3.3Å; Y665-Q667 PolarHBondContact O-N 3.18Å; Q667-S671 VanDerWaalsContact O-CB 3.27Å; Q667-S671 WeakPolarHBondContact O-CB 3.48Å
668N95.7Very high94.3Very high98 Ų9863.2 Ų63.252%0.52433%0.331SS..Iπ-helixtrans-102.1-28.4-168.2-59.8-56.5000114K664 L672K664-N668 WeakPolarHBondContact O-CB 3.39Å; K664-N668 PolarHBondContact O-N 2.87Å; K664-N668 PolarHBondContact O-ND2 2.96Å; N668-L672 WeakPolarHBondContact O-CD1 3.19Å; N668-L672 WeakPolarHBondContact O-CG 3.47Å
669D96.1Very high94.2Very high65 Ų6563.8 Ų63.835%0.34834%0.342SS..Iπ-helixtrans-113.6-51.2-171.2-58.8-84.7000111.8R647 Y665R647-D669 PolarHBondContact NH1-O 3.4Å; Y665-D669 HydrophobicContact CD2-CB 3.53Å; Y665-D669 WeakPolarHBondContact CD2-OD2 3.26Å; Y665-D669 HydrophobicContact CE2-CB 3.39Å; Y665-D669 HydrophobicContact CG-CB 4.19Å; Y665-D669 WeakPolarHBondContact O-CA 3.1Å; Y665-D669 WeakPolarHBondContact O-CB 3.38Å; Y665-D669 PolarHBondContact O-N 2.88Å
670L95.6Very high94.2Very high0 Ų066.3 Ų66.30%035%0.352CS..Iπ-helixtrans-68.4-42.9-179.9-173.271000111.4Y644 R647 K648 Y665 L666 L672 T673 F685 L688Y644-L670 HydrophobicContact CD2-CD1 4.18Å; R647-L670 VanDerWaalsContact C-CD1 3.45Å; R647-L670 HydrophobicContact CB-CD1 3.24Å; K648-L670 HydrophobicContact CB-CD1 4.28Å; K648-L670 VanDerWaalsContact N-CD1 3.33Å; Y665-L670 PolarHBondContact O-N 2.9Å; L666-L670 HydrophobicContact CD1-CB 4.28Å; L666-L670 HydrophobicContact CD1-CD2 3.39Å; L666-L670 HydrophobicContact CD1-CG 4.36Å; L670-L672 PolarHBondContact O-N 3.11Å; L670-L672 VanDerWaalsContact O-N 3.07Å; L670-T673 PolarHBondContact O-N 2.73Å; L670-T673 PolarHBondContact O-OG1 3.31Å; L670-F685 HydrophobicContact CB-CE2 4.42Å; L670-F685 HydrophobicContact CD2-CD2 4.22Å; L670-F685 HydrophobicContact CD2-CE2 4.1Å; L670-F685 HydrophobicContact CG-CD2 4.48Å; L670-F685 HydrophobicContact CG-CE2 4.23Å; L670-L688 HydrophobicContact CD2-CD1 3.22Å; L670-L688 HydrophobicContact CG-CD1 4.49Å
671S95.9Very high94.2Very high27 Ų2761.9 Ų61.919%0.18933%0.328CS..G310 helixtrans-52.7-31.3179.5-1720000113.4L666 Q667 T673 V674 H676L666-S671 PolarHBondContact O-N 2.75Å; L666-S671 VanDerWaalsContact O-N 3.15Å; Q667-S671 VanDerWaalsContact O-CB 3.27Å; Q667-S671 WeakPolarHBondContact O-CB 3.48Å; S671-T673 PolarHBondContact O-N 2.67Å; S671-V674 PolarHBondContact O-N 2.97Å; S671-H676 PolarHBondContact O-NE2 3.28Å; S671-H676 PolarHBondContact OG-CE1 3.49Å; S671-H676 PolarHBondContact OG-NE2 3.05Å; S671-H676 VanDerWaalsContact OG-NE2 3.16Å
672L95.8Very high94.2Very high133 Ų13359.8 Ų59.870%0.69632%0.318SS*.G310 helixtrans-68.1-18.8178.7-62176.9000113.8N668 L670N668-L672 WeakPolarHBondContact O-CD1 3.19Å; N668-L672 WeakPolarHBondContact O-CG 3.47Å; L670-L672 PolarHBondContact O-N 3.11Å; L670-L672 VanDerWaalsContact O-N 3.07Å
673T95.8Very high94.1Very high6 Ų666 Ų664%0.03735%0.345CS..G310 helixtrans-92.8-4179.563.70000113R640 R643 Y644 L670 S671R640-T673 WeakPolarHBondContact CD-O 3.22Å; R640-T673 WeakPolarHBondContact CG-O 3.31Å; R640-T673 PolarHBondContact NH1-O 2.85Å; R643-T673 HydrophobicContact CB-CG2 3.92Å; Y644-T673 WeakPolarHBondContact CA-OG1 3.32Å; L670-T673 PolarHBondContact O-N 2.73Å; L670-T673 PolarHBondContact O-OG1 3.31Å; S671-T673 PolarHBondContact O-N 2.67Å
674V94.8Very high94.1Very high9 Ų968.1 Ų68.16%0.05535%0.353CS..SBendtrans-99.7133.2-177-179.90000109.8Y644 S671 H676 E681 F685Y644-V674 HydrophobicContact CD2-CG2 3.79Å; Y644-V674 HydrophobicContact CE2-CG2 3.83Å; S671-V674 PolarHBondContact O-N 2.97Å; V674-H676 PolarHBondContact O-CD2 2.8Å; V674-H676 VanDerWaalsContact O-CD2 3.31Å; V674-H676 PolarHBondContact O-N 2.79Å; V674-E681 HydrophobicContact CG1-CB 4.13Å; V674-F685 HydrophobicContact CG1-CB 4.01Å; V674-F685 HydrophobicContact CG1-CG 4.4Å; V674-F685 HydrophobicContact CG2-CB 4.05Å; V674-F685 HydrophobicContact CG2-CD2 3.66Å; V674-F685 HydrophobicContact CG2-CE2 4.37Å; V674-F685 HydrophobicContact CG2-CG 3.99Å
675D92.7Very high94Very high58 Ų5864.1 Ų64.131%0.3134%0.336SS..  trans-81.596.8168-172.9-10.5000109.3T677 D678 E681D675-T677 PolarHBondContact O-N 2.99Å; D675-T677 VanDerWaalsContact O-N 3.09Å; D675-T677 WeakPolarHBondContact OD1-CB 3.32Å; D675-T677 PolarHBondContact OD1-N 2.76Å; D675-T677 PolarHBondContact OD1-OG1 3.3Å; D675-D678 HydrophobicContact CB-CB 4.25Å; D675-D678 WeakPolarHBondContact O-CB 3.16Å; D675-D678 PolarHBondContact O-N 2.86Å; D675-E681 PolarHBondContact N-OE2 2.69Å
676H92.9Very high93.9Very high94 Ų9469.6 Ų69.644%0.43536%0.362SS..THydrogen-bonded Turntrans-69-3179.9-62.8-82.3000113.7S671 V674 T682S671-H676 PolarHBondContact O-NE2 3.28Å; S671-H676 PolarHBondContact OG-CE1 3.49Å; S671-H676 PolarHBondContact OG-NE2 3.05Å; S671-H676 VanDerWaalsContact OG-NE2 3.16Å; V674-H676 PolarHBondContact O-CD2 2.8Å; V674-H676 VanDerWaalsContact O-CD2 3.31Å; V674-H676 PolarHBondContact O-N 2.79Å; H676-T682 WeakPolarHBondContact CA-OG1 3.36Å; H676-T682 PolarHBondContact O-OG1 2.97Å
677T92.4Very high93.8Very high122 Ų12274 Ų7475%0.74839%0.385SS*.THydrogen-bonded Turntrans-88.4-18.5170.274.10000112.4D675 P679D675-T677 PolarHBondContact O-N 2.99Å; D675-T677 VanDerWaalsContact O-N 3.09Å; D675-T677 WeakPolarHBondContact OD1-CB 3.32Å; D675-T677 PolarHBondContact OD1-N 2.76Å; D675-T677 PolarHBondContact OD1-OG1 3.3Å; T677-P679 WeakPolarHBondContact O-CD 3.37Å
678D89.9Confident93.8Very high56 Ų5669.2 Ų69.230%0.29936%0.363SS..SBendtrans-84.2117172.7-172.6-50.5000109.8D675 D680 E681 T682D675-D678 HydrophobicContact CB-CB 4.25Å; D675-D678 WeakPolarHBondContact O-CB 3.16Å; D675-D678 PolarHBondContact O-N 2.86Å; D678-D680 VanDerWaalsContact C-N 3.3Å; D678-D680 PolarHBondContact O-N 3.26Å; D678-D680 WeakPolarHBondContact OD1-CA 3.26Å; D678-D680 WeakPolarHBondContact OD1-CB 3.43Å; D678-D680 PolarHBondContact OD1-N 3.14Å; D678-E681 HydrophobicContact CB-CB 4.08Å; D678-E681 HydrophobicContact CB-CG 4.08Å; D678-E681 PolarHBondContact OD1-N 3.43Å; D678-E681 VanDerWaalsContact OD1-N 3.12Å; D678-T682 VanDerWaalsContact O-CB 3.26Å; D678-T682 WeakPolarHBondContact O-CB 3.46Å; D678-T682 PolarHBondContact O-N 2.8Å; D678-T682 PolarHBondContact O-OG1 3.44Å
679P90.4Very high93.7Very high102 Ų10266.7 Ų66.766%0.66235%0.352SS*.Hα-helixtrans-63-32.9-178.3-22.734000114.2T677 K683T677-P679 WeakPolarHBondContact O-CD 3.37Å; P679-K683 VanDerWaalsContact O-CB 3.28Å; P679-K683 WeakPolarHBondContact O-CB 3.5Å; P679-K683 PolarHBondContact O-N 2.92Å
680D90.6Very high93.4Very high119 Ų11967.2 Ų67.264%0.63636%0.358SS*.Hα-helixtrans-76.1-46.9-177.3-70-36000110D678 T682 K683 E684D678-D680 VanDerWaalsContact C-N 3.3Å; D678-D680 PolarHBondContact O-N 3.26Å; D678-D680 WeakPolarHBondContact OD1-CA 3.26Å; D678-D680 WeakPolarHBondContact OD1-CB 3.43Å; D678-D680 PolarHBondContact OD1-N 3.14Å; D680-T682 VanDerWaalsContact C-N 3.31Å; D680-T682 PolarHBondContact O-N 3.37Å; D680-K683 PolarHBondContact O-N 2.87Å; D680-E684 PolarHBondContact O-N 2.92Å
681E92.8Very high93.1Very high28 Ų2867.8 Ų67.813%0.13136%0.363CS..Hα-helixtrans-61.2-42174.5-67.2-164.8-167.500111.6R640 V674 D675 D678 K683 E684 F685R640-E681 IonicContact CZ-OE1 3.86Å; R640-E681 IonicContact CZ-OE2 3.15Å; R640-E681 IonicContact NH1-OE1 3.01Å; R640-E681 PolarHBondContact NH1-OE1 3.08Å; R640-E681 IonicContact NH1-OE2 3.34Å; R640-E681 PolarHBondContact NH1-OE2 2.99Å; R640-E681 IonicContact NH2-OE1 2.76Å; R640-E681 PolarHBondContact NH2-OE1 2.86Å; R640-E681 IonicContact NH2-OE2 3.71Å; R640-E681 PolarHBondContact NH2-OE2 3.42Å; V674-E681 HydrophobicContact CG1-CB 4.13Å; D675-E681 PolarHBondContact N-OE2 2.69Å; D678-E681 HydrophobicContact CB-CB 4.08Å; D678-E681 HydrophobicContact CB-CG 4.08Å; D678-E681 PolarHBondContact OD1-N 3.43Å; D678-E681 VanDerWaalsContact OD1-N 3.12Å; E681-K683 VanDerWaalsContact C-N 3.32Å; E681-K683 PolarHBondContact O-N 2.88Å; E681-E684 PolarHBondContact O-N 2.93Å; E681-F685 WeakPolarHBondContact O-CB 3.21Å; E681-F685 PolarHBondContact O-N 3.27Å
682T93.4Very high92.8Very high25 Ų2568.1 Ų68.115%0.15336%0.362CS..Hα-helixtrans-60-44.3177-620000111.1H676 D678 D680 F685 Q686H676-T682 WeakPolarHBondContact CA-OG1 3.36Å; H676-T682 PolarHBondContact O-OG1 2.97Å; D678-T682 VanDerWaalsContact O-CB 3.26Å; D678-T682 WeakPolarHBondContact O-CB 3.46Å; D678-T682 PolarHBondContact O-N 2.8Å; D678-T682 PolarHBondContact O-OG1 3.44Å; D680-T682 VanDerWaalsContact C-N 3.31Å; D680-T682 PolarHBondContact O-N 3.37Å; T682-F685 PolarHBondContact O-N 2.94Å; T682-Q686 HydrophobicContact CG2-CG 4.5Å; T682-Q686 WeakPolarHBondContact O-CB 3.23Å; T682-Q686 VanDerWaalsContact O-CG 3.24Å; T682-Q686 WeakPolarHBondContact O-CG 3.37Å; T682-Q686 PolarHBondContact O-N 3.15Å
683K94Very high92.4Very high131 Ų13170.4 Ų70.457%0.5737%0.367SS*.Hα-helixtrans-64.8-44178.5-178.4-176.8176.1-172.10111.5P679 D680 E681 F685 Q686 L687P679-K683 VanDerWaalsContact O-CB 3.28Å; P679-K683 WeakPolarHBondContact O-CB 3.5Å; P679-K683 PolarHBondContact O-N 2.92Å; D680-K683 PolarHBondContact O-N 2.87Å; E681-K683 VanDerWaalsContact C-N 3.32Å; E681-K683 PolarHBondContact O-N 2.88Å; K683-F685 VanDerWaalsContact C-N 3.34Å; K683-F685 PolarHBondContact O-N 2.62Å; K683-Q686 PolarHBondContact O-N 3.31Å; K683-L687 WeakPolarHBondContact O-CG 3.33Å; K683-L687 PolarHBondContact O-N 3.31Å
684E93.2Very high91.6Very high106 Ų10676.9 Ų76.950%0.49539%0.394SS..Hα-helixtrans-59.9-45.2175.6-74-167.3174.800111.6D680 E681 Q686 L687D680-E684 PolarHBondContact O-N 2.92Å; E681-E684 PolarHBondContact O-N 2.93Å; E684-Q686 VanDerWaalsContact C-N 3.35Å; E684-Q686 PolarHBondContact O-N 2.76Å; E684-L687 PolarHBondContact O-N 2.91Å; E684-L687 VanDerWaalsContact O-N 3.16Å
685F95.3Very high90.2Very high29 Ų2979.8 Ų79.813%0.12742%0.415CS..Hα-helixtrans-60.1-43.1176.4177.2-104000112.4L666 L670 V674 E681 T682 K683 L687 L688L666-F685 HydrophobicContact CD1-CD2 4.19Å; L666-F685 HydrophobicContact CD1-CE2 3.51Å; L666-F685 HydrophobicContact CD1-CZ 4.05Å; L666-F685 HydrophobicContact CG-CE2 4.15Å; L666-F685 HydrophobicContact CG-CZ 4.18Å; L670-F685 HydrophobicContact CB-CE2 4.42Å; L670-F685 HydrophobicContact CD2-CD2 4.22Å; L670-F685 HydrophobicContact CD2-CE2 4.1Å; L670-F685 HydrophobicContact CG-CD2 4.48Å; L670-F685 HydrophobicContact CG-CE2 4.23Å; V674-F685 HydrophobicContact CG1-CB 4.01Å; V674-F685 HydrophobicContact CG1-CG 4.4Å; V674-F685 HydrophobicContact CG2-CB 4.05Å; V674-F685 HydrophobicContact CG2-CD2 3.66Å; V674-F685 HydrophobicContact CG2-CE2 4.37Å; V674-F685 HydrophobicContact CG2-CG 3.99Å; E681-F685 WeakPolarHBondContact O-CB 3.21Å; E681-F685 PolarHBondContact O-N 3.27Å; T682-F685 PolarHBondContact O-N 2.94Å; K683-F685 VanDerWaalsContact C-N 3.34Å; K683-F685 PolarHBondContact O-N 2.62Å; F685-L687 PolarHBondContact O-N 3.14Å; F685-L688 HydrophobicContact CD2-CD1 3.92Å; F685-L688 WeakPolarHBondContact O-CB 3.21Å; F685-L688 WeakPolarHBondContact O-CG 3.32Å; F685-L688 PolarHBondContact O-N 3.32Å; F685-L688 VanDerWaalsContact O-N 3.11Å
686Q94.1Very high88.6Confident132 Ų13281 Ų8162%0.61743%0.429SS*.Hα-helixtrans-64.4-19.9178-74.3173.21.200113.8T682 K683 E684 P689T682-Q686 HydrophobicContact CG2-CG 4.5Å; T682-Q686 WeakPolarHBondContact O-CB 3.23Å; T682-Q686 VanDerWaalsContact O-CG 3.24Å; T682-Q686 WeakPolarHBondContact O-CG 3.37Å; T682-Q686 PolarHBondContact O-N 3.15Å; K683-Q686 PolarHBondContact O-N 3.31Å; E684-Q686 VanDerWaalsContact C-N 3.35Å; E684-Q686 PolarHBondContact O-N 2.76Å; Q686-P689 WeakPolarHBondContact O-CD 3.48Å
687L94.4Very high86.8Confident101 Ų10181 Ų8153%0.52944%0.439SS..Hα-helixtrans-83.7-20.2175.6-69.2170.5000113.1K683 E684 F685 T690K683-L687 WeakPolarHBondContact O-CG 3.33Å; K683-L687 PolarHBondContact O-N 3.31Å; E684-L687 PolarHBondContact O-N 2.91Å; E684-L687 VanDerWaalsContact O-N 3.16Å; F685-L687 PolarHBondContact O-N 3.14Å; L687-T690 WeakPolarHBondContact O-CB 3.23Å; L687-T690 VanDerWaalsContact O-CG2 3.28Å; L687-T690 WeakPolarHBondContact O-CG2 3.14Å; L687-T690 PolarHBondContact O-N 3.16Å; L687-T690 VanDerWaalsContact O-N 3.12Å; L687-T690 PolarHBondContact O-OG1 3.44Å
688L93.9Very high85Confident12 Ų1280.3 Ų80.36%0.06343%0.43CS..G310 helixtrans-59-36.1-176.8-63177.9000115.1Y644 K648 F651 L666 L670 F685 T690 A691Y644-L688 HydrophobicContact CE2-CD1 4.48Å; K648-L688 HydrophobicContact CD-CD2 4.13Å; K648-L688 HydrophobicContact CG-CD2 4.05Å; F651-L688 HydrophobicContact CD1-CB 4.46Å; F651-L688 HydrophobicContact CE1-CB 3.96Å; F651-L688 VanDerWaalsContact CE1-O 3.31Å; F651-L688 WeakPolarHBondContact CE1-O 3.24Å; L666-L688 HydrophobicContact CD1-CB 4.02Å; L666-L688 HydrophobicContact CD1-CD1 4Å; L670-L688 HydrophobicContact CD2-CD1 3.22Å; L670-L688 HydrophobicContact CG-CD1 4.49Å; F685-L688 HydrophobicContact CD2-CD1 3.92Å; F685-L688 WeakPolarHBondContact O-CB 3.21Å; F685-L688 WeakPolarHBondContact O-CG 3.32Å; F685-L688 PolarHBondContact O-N 3.32Å; F685-L688 VanDerWaalsContact O-N 3.11Å; L688-T690 PolarHBondContact O-N 2.84Å; L688-A691 WeakPolarHBondContact O-CB 3.48Å; L688-A691 PolarHBondContact O-N 3.16Å
689P93.7Very high83.4Confident46 Ų4684 Ų8430%0.29944%0.444SS..G310 helixtrans-53.7-23.4175.1-26.833.7000114.5L666 Q686 A691 L692L666-P689 HydrophobicContact CD2-CB 4.49Å; L666-P689 HydrophobicContact CD2-CG 3.77Å; Q686-P689 WeakPolarHBondContact O-CD 3.48Å; P689-A691 PolarHBondContact O-N 2.88Å; P689-L692 WeakPolarHBondContact O-CB 3.33Å; P689-L692 PolarHBondContact O-N 3.01Å; P689-L692 VanDerWaalsContact O-N 3.14Å
690T90.9Very high81.8Confident75 Ų7585.2 Ų85.246%0.4644%0.444SS..G310 helixtrans-59.6-27.3175.863.60000112.8L687 L688 L692 F693L687-T690 WeakPolarHBondContact O-CB 3.23Å; L687-T690 VanDerWaalsContact O-CG2 3.28Å; L687-T690 WeakPolarHBondContact O-CG2 3.14Å; L687-T690 PolarHBondContact O-N 3.16Å; L687-T690 VanDerWaalsContact O-N 3.12Å; L687-T690 PolarHBondContact O-OG1 3.44Å; L688-T690 PolarHBondContact O-N 2.84Å; T690-L692 PolarHBondContact O-N 2.85Å; T690-F693 PolarHBondContact O-N 2.8Å; T690-F693 VanDerWaalsContact O-N 3.15Å
691A88.8Confident80.2Confident13 Ų1380.2 Ų80.211%0.10742%0.418CS..G310 helixtrans-63-25.4177.900000113.3F651 E652 A655 L688 P689 F693 K694F651-A691 HydrophobicContact CE1-CB 3.94Å; E652-A691 HydrophobicContact CG-CB 4.48Å; A655-A691 HydrophobicContact CB-CB 4.48Å; L688-A691 WeakPolarHBondContact O-CB 3.48Å; L688-A691 PolarHBondContact O-N 3.16Å; P689-A691 PolarHBondContact O-N 2.88Å; A691-F693 PolarHBondContact O-N 3.17Å; A691-F693 VanDerWaalsContact O-N 3.17Å; A691-K694 PolarHBondContact O-N 2.81Å
692L88.6Confident78.5Confident34 Ų3487.6 Ų87.618%0.17846%0.457CS..G310 helixtrans-65.7-15.5176.7-63.6168.2000113.2F651 A655 P659 A662 L663 P689 T690F651-L692 HydrophobicContact CE2-CD2 4.26Å; F651-L692 HydrophobicContact CZ-CD2 4.31Å; F651-L692 HydrophobicContact CZ-CG 4.17Å; A655-L692 HydrophobicContact CB-CD2 3.81Å; P659-L692 HydrophobicContact CB-CD2 4.17Å; A662-L692 HydrophobicContact CB-CD2 3.87Å; L663-L692 HydrophobicContact CB-CD1 4.42Å; L663-L692 HydrophobicContact CD1-CD1 4.12Å; P689-L692 WeakPolarHBondContact O-CB 3.33Å; P689-L692 PolarHBondContact O-N 3.01Å; P689-L692 VanDerWaalsContact O-N 3.14Å; T690-L692 PolarHBondContact O-N 2.85Å
693F87.3Confident76.8Confident180 Ų18088.8 Ų88.879%0.78947%0.474SS*.G310 helixtrans-116.32.9-174.7-54.2-77.1000113.3T690 A691T690-F693 PolarHBondContact O-N 2.8Å; T690-F693 VanDerWaalsContact O-N 3.15Å; A691-F693 PolarHBondContact O-N 3.17Å; A691-F693 VanDerWaalsContact O-N 3.17Å
694K80.1Confident75.3Confident142 Ų14283.7 Ų83.762%0.61745%0.452SS*.  trans-78.9138.9179.2-70.9-175.9-179.7178.10111A691A691-K694 PolarHBondContact O-N 2.81Å
695S65.4Low73.7Confident70 Ų7083 Ų8349%0.4946%0.46SS..  trans-79.9145.3170.839.40000111.6S697 D698S695-S697 PolarHBondContact O-N 3Å; S695-D698 PolarHBondContact OG-OD2 2.93Å
696S58.3Low72.3Confident85 Ų8587.1 Ų87.159%0.59448%0.483SS*.G310 helixtrans-59.8-15-175.8-36.90000114.7D698 Q709S696-D698 VanDerWaalsContact C-N 3.34Å; S696-D698 PolarHBondContact O-N 2.97Å; S696-Q709 PolarHBondContact O-NE2 3.39Å
697S55.8Low71.4Confident92 Ų9282.1 Ų82.164%0.64346%0.461SS*.G310 helixtrans-76.7-10.5-173.248.10000115.6S695S695-S697 PolarHBondContact O-N 3Å
698D54.8Low70.9Confident108 Ų10882.3 Ų82.358%0.57846%0.463SS*.G310 helixtrans-97.50.1-155.9-64.5-7.5000115.1S695 S696S695-D698 PolarHBondContact OG-OD2 2.93Å; S696-D698 VanDerWaalsContact C-N 3.34Å; S696-D698 PolarHBondContact O-N 2.97Å
699F55.2Low70.3Confident134 Ų13484.1 Ų84.159%0.58847%0.471SS*.  trans-152.397.7-177.3-132.1-95.2000114.3Q709F699-Q709 PolarHBondContact O-NE2 2.86Å
700I56.4Low70Confident127 Ų12784.3 Ų84.365%0.65147%0.471SS*.  trans-104.1114.7159.7-59.3176.2000106.5L702I700-L702 PolarHBondContact O-N 3.09Å
701P57.9Low70Confident15 Ų1581.9 Ų81.910%0.09745%0.454CS..  trans-56.7132175.7-24.434.7000111.1G703 F704 A712P701-G703 PolarHBondContact O-N 3.4Å; P701-F704 HydrophobicContact CB-CD2 3.88Å; P701-F704 PolarHBondContact O-N 3.31Å; P701-A712 HydrophobicContact CG-CB 4Å
702L56.6Low69.9Low182 Ų18281.3 Ų81.395%0.95345%0.449SS*.THydrogen-bonded Turntrans-53.9126.6174.8-89.9141.4000110I700I700-L702 PolarHBondContact O-N 3.09Å
703G58.5Low69.9Low50 Ų5080.8 Ų80.852%0.51545%0.446SS..THydrogen-bonded Turntrans93.84.4179.100000116H181 P701H181-G703 PolarHBondContact CE1-O 3.28Å; H181-G703 VanDerWaalsContact CE1-O 3.26Å; H181-G703 PolarHBondContact NE2-O 2.9Å; P701-G703 PolarHBondContact O-N 3.4Å
704F61.9Low70.2Confident24 Ų2474 Ų7411%0.10542%0.415CS..  trans-123.231.9178.8-68.6-87.8000112.7Q180 P701 D706 V707 A712 T715Q180-F704 HydrophobicContact CB-CE1 3.77Å; Q180-F704 HydrophobicContact CB-CZ 4.22Å; Q180-F704 HydrophobicContact CG-CE1 4.26Å; Q180-F704 HydrophobicContact CG-CZ 4.31Å; Q180-F704 VanDerWaalsContact O-CD1 3.29Å; Q180-F704 WeakPolarHBondContact O-CD1 3.25Å; Q180-F704 VanDerWaalsContact O-CE1 3.23Å; Q180-F704 WeakPolarHBondContact O-CE1 3.45Å; P701-F704 HydrophobicContact CB-CD2 3.88Å; P701-F704 PolarHBondContact O-N 3.31Å; F704-D706 PolarHBondContact O-N 3.13Å; F704-D706 VanDerWaalsContact O-N 3.08Å; F704-V707 HydrophobicContact CB-CG2 3.67Å; F704-V707 HydrophobicContact CD1-CG2 3.79Å; F704-V707 HydrophobicContact CG-CG2 4.22Å; F704-V707 WeakPolarHBondContact O-CG2 3.35Å; F704-V707 PolarHBondContact O-N 2.65Å; F704-A712 HydrophobicContact CB-CB 3.72Å; F704-A712 HydrophobicContact CD1-CB 4.11Å; F704-A712 HydrophobicContact CG-CB 3.89Å; F704-T715 HydrophobicContact CE1-CG2 3.92Å; F704-T715 HydrophobicContact CZ-CG2 3.97Å
705S60Low70.8Confident93 Ų9367.4 Ų67.465%0.6539%0.387SS*.THydrogen-bonded Turntrans-60.6-23-172.656.80000114.9
706D66.4Low72Confident114 Ų11467.9 Ų67.961%0.6138%0.381SS*.THydrogen-bonded Turntrans-104.12.6-170.1-60.4-5000113.1F704F704-D706 PolarHBondContact O-N 3.13Å; F704-D706 VanDerWaalsContact O-N 3.08Å
707V75.2Confident73.8Confident27 Ų2763.9 Ų63.916%0.16435%0.353CS..SBendtrans-118.6158.4-179.8-66.30000112.2H181 N182 F704 Y711 A712H181-V707 VanDerWaalsContact C-CG1 3.43Å; H181-V707 VanDerWaalsContact O-CG1 3.3Å; H181-V707 WeakPolarHBondContact O-CG1 3.35Å; N182-V707 HydrophobicContact CB-CG1 3.87Å; F704-V707 HydrophobicContact CB-CG2 3.67Å; F704-V707 HydrophobicContact CD1-CG2 3.79Å; F704-V707 HydrophobicContact CG-CG2 4.22Å; F704-V707 WeakPolarHBondContact O-CG2 3.35Å; F704-V707 PolarHBondContact O-N 2.65Å; V707-Y711 HydrophobicContact CB-CD1 4.06Å; V707-Y711 HydrophobicContact CG1-CD1 4.24Å; V707-Y711 HydrophobicContact CG2-CD1 4.13Å; V707-A712 HydrophobicContact CG2-CB 4.17Å
708D82.2Confident75.7Confident105 Ų10559.7 Ų59.756%0.56132%0.323SS*.  trans-58.3143.6175.3-177.965.9000111.7T710 Y711 A712D708-T710 PolarHBondContact O-N 3.32Å; D708-T710 WeakPolarHBondContact OD2-CB 3.33Å; D708-T710 PolarHBondContact OD2-N 3.15Å; D708-T710 PolarHBondContact OD2-OG1 2.86Å; D708-Y711 WeakPolarHBondContact O-CB 3.41Å; D708-Y711 PolarHBondContact O-N 3.1Å; D708-Y711 VanDerWaalsContact O-N 3.08Å; D708-A712 PolarHBondContact O-N 3.09Å
709Q82.4Confident77.5Confident51 Ų5156.9 Ų56.924%0.23831%0.308CS..Hα-helixtrans-58.4-37.8-177.2-171.4178.622.100111.9S696 F699 A712 Q713S696-Q709 PolarHBondContact O-NE2 3.39Å; F699-Q709 PolarHBondContact O-NE2 2.86Å; Q709-A712 PolarHBondContact O-N 3.42Å; Q709-Q713 WeakPolarHBondContact O-CG 3.18Å; Q709-Q713 PolarHBondContact O-N 2.85Å
710T87.1Confident79.3Confident50 Ų5052.9 Ų52.931%0.30730%0.295SS..Hα-helixtrans-65.2-43.7178.1-39.30000110.7E653 D708 A712 Q713 R714E653-T710 HydrophobicContact CG-CG2 4.47Å; D708-T710 PolarHBondContact O-N 3.32Å; D708-T710 WeakPolarHBondContact OD2-CB 3.33Å; D708-T710 PolarHBondContact OD2-N 3.15Å; D708-T710 PolarHBondContact OD2-OG1 2.86Å; T710-A712 PolarHBondContact O-N 3.38Å; T710-Q713 PolarHBondContact O-N 3.44Å; T710-R714 WeakPolarHBondContact O-CB 3.32Å; T710-R714 VanDerWaalsContact O-CG 3.29Å; T710-R714 WeakPolarHBondContact O-CG 3Å; T710-R714 PolarHBondContact O-N 3.18Å
711Y90.2Very high81.2Confident23 Ų2346.9 Ų46.99%0.0926%0.264CS..Hα-helixtrans-60.7-45.5177.3-174-85.9000111.3R179 N182 V211 L212 V707 D708 R714 T715R179-Y711 PolarHBondContact O-OH 2.92Å; N182-Y711 HydrophobicContact CB-CE1 4.02Å; N182-Y711 HydrophobicContact CB-CE2 4.2Å; V211-Y711 HydrophobicContact CG1-CD2 3.76Å; V211-Y711 HydrophobicContact CG1-CE1 4.34Å; V211-Y711 HydrophobicContact CG1-CE2 3.52Å; V211-Y711 HydrophobicContact CG1-CG 4.28Å; L212-Y711 HydrophobicContact CD2-CE2 3.87Å; V707-Y711 HydrophobicContact CB-CD1 4.06Å; V707-Y711 HydrophobicContact CG1-CD1 4.24Å; V707-Y711 HydrophobicContact CG2-CD1 4.13Å; D708-Y711 WeakPolarHBondContact O-CB 3.41Å; D708-Y711 PolarHBondContact O-N 3.1Å; D708-Y711 VanDerWaalsContact O-N 3.08Å; Y711-R714 PolarHBondContact O-N 3.14Å; Y711-T715 WeakPolarHBondContact O-CB 3.48Å; Y711-T715 PolarHBondContact O-N 3.27Å; Y711-T715 PolarHBondContact O-OG1 2.97Å
712A87.6Confident83Confident2 Ų246.5 Ų46.52%0.01726%0.261CS..Hα-helixtrans-62.5-45.8178.200000112.1P701 F704 V707 D708 Q709 T710 T715 Q716P701-A712 HydrophobicContact CG-CB 4Å; F704-A712 HydrophobicContact CB-CB 3.72Å; F704-A712 HydrophobicContact CD1-CB 4.11Å; F704-A712 HydrophobicContact CG-CB 3.89Å; V707-A712 HydrophobicContact CG2-CB 4.17Å; D708-A712 PolarHBondContact O-N 3.09Å; Q709-A712 PolarHBondContact O-N 3.42Å; T710-A712 PolarHBondContact O-N 3.38Å; A712-T715 PolarHBondContact O-N 3.04Å; A712-Q716 PolarHBondContact O-N 3.19Å
713Q88.5Confident84.8Confident22 Ų2242.5 Ų42.510%0.10324%0.241CC..Hα-helixtrans-63.4-43.7178.6-74.3176.2-500112.4Y649 Q709 T710 Q716 L717Y649-Q713 HydrophobicContact CE1-CB 4.25Å; Y649-Q713 WeakPolarHBondContact CE1-O 3.26Å; Q709-Q713 WeakPolarHBondContact O-CG 3.18Å; Q709-Q713 PolarHBondContact O-N 2.85Å; T710-Q713 PolarHBondContact O-N 3.44Å; Q713-Q716 WeakPolarHBondContact O-CB 3.16Å; Q713-Q716 PolarHBondContact O-N 3.35Å; Q713-L717 PolarHBondContact O-N 3.29Å
714R93.4Very high86.5Confident39 Ų3940.8 Ų40.815%0.14722%0.219CC..Hα-helixtrans-66.1-38.2176.3-69.4170.3174.4-171.82.2112.3L210 V211 G214 E653 T710 Y711 Q716 L717 F718L210-R714 WeakPolarHBondContact O-CD 3.11Å; V211-R714 HydrophobicContact CB-CB 4.39Å; V211-R714 HydrophobicContact CG1-CB 4.32Å; V211-R714 HydrophobicContact CG2-CB 4.28Å; G214-R714 VanDerWaalsContact CA-CZ 3.46Å; E653-R714 VanDerWaalsContact OE1-CG 3.3Å; E653-R714 WeakPolarHBondContact OE1-CG 3Å; E653-R714 IonicContact OE1-CZ 3.77Å; E653-R714 IonicContact OE1-NE 3.62Å; E653-R714 PolarHBondContact OE1-NE 3.44Å; E653-R714 IonicContact OE1-NH2 2.85Å; E653-R714 IonicContact OE2-CZ 3.69Å; E653-R714 IonicContact OE2-NE 3.55Å; E653-R714 PolarHBondContact OE2-NE 3.49Å; E653-R714 IonicContact OE2-NH2 2.66Å; E653-R714 PolarHBondContact OE2-NH2 3.19Å; T710-R714 WeakPolarHBondContact O-CB 3.32Å; T710-R714 VanDerWaalsContact O-CG 3.29Å; T710-R714 WeakPolarHBondContact O-CG 3Å; T710-R714 PolarHBondContact O-N 3.18Å; Y711-R714 PolarHBondContact O-N 3.14Å; R714-Q716 VanDerWaalsContact C-N 3.31Å; R714-Q716 PolarHBondContact O-N 3.19Å; R714-L717 PolarHBondContact O-N 3.32Å; R714-F718 PolarHBondContact O-N 3Å
715T92.6Very high88.1Confident3 Ų340 Ų402%0.01822%0.216CC..Hα-helixtrans-62.6-39.6174.4-58.40000111.2Q180 V211 F704 Y711 A712 F718 D719Q180-T715 HydrophobicContact CG-CG2 4.08Å; V211-T715 WeakPolarHBondContact CG1-OG1 3.37Å; F704-T715 HydrophobicContact CE1-CG2 3.92Å; F704-T715 HydrophobicContact CZ-CG2 3.97Å; Y711-T715 WeakPolarHBondContact O-CB 3.48Å; Y711-T715 PolarHBondContact O-N 3.27Å; Y711-T715 PolarHBondContact O-OG1 2.97Å; A712-T715 PolarHBondContact O-N 3.04Å; T715-F718 WeakPolarHBondContact O-CB 3.23Å; T715-F718 PolarHBondContact O-N 2.78Å; T715-D719 PolarHBondContact O-N 3.25Å
716Q91.4Very high89.6Confident79 Ų7936.3 Ų36.337%0.36919%0.19SC..Hα-helixtrans-64.8-40.7175-172.9-1787.700112.7A712 Q713 R714 F718 D719 T720A712-Q716 PolarHBondContact O-N 3.19Å; Q713-Q716 WeakPolarHBondContact O-CB 3.16Å; Q713-Q716 PolarHBondContact O-N 3.35Å; R714-Q716 VanDerWaalsContact C-N 3.31Å; R714-Q716 PolarHBondContact O-N 3.19Å; Q716-F718 VanDerWaalsContact C-N 3.35Å; Q716-D719 PolarHBondContact O-N 2.66Å; Q716-T720 PolarHBondContact O-N 2.82Å; Q716-T720 PolarHBondContact O-OG1 2.87Å
717L94.9Very high90.6Very high1 Ų134.7 Ų34.71%0.00518%0.181CC..Hα-helixtrans-62.8-43.7172.917459.2000110.9L210 L645 I646 Y649 Q713 R714 D719 T720 L721L210-L717 HydrophobicContact CD1-CD2 3.85Å; L210-L717 HydrophobicContact CD2-CB 4.26Å; L210-L717 HydrophobicContact CD2-CD2 3.94Å; L210-L717 HydrophobicContact CD2-CG 3.84Å; L210-L717 HydrophobicContact CG-CD2 4.46Å; L645-L717 HydrophobicContact CB-CD1 3.89Å; I646-L717 HydrophobicContact CG1-CD2 4.48Å; Y649-L717 HydrophobicContact CD1-CB 4.2Å; Y649-L717 HydrophobicContact CD2-CB 3.88Å; Y649-L717 HydrophobicContact CD2-CD1 3.66Å; Y649-L717 HydrophobicContact CD2-CD2 3.79Å; Y649-L717 HydrophobicContact CD2-CG 3.96Å; Y649-L717 HydrophobicContact CE1-CB 4.18Å; Y649-L717 HydrophobicContact CE2-CB 3.85Å; Y649-L717 HydrophobicContact CE2-CD1 3.85Å; Y649-L717 HydrophobicContact CE2-CG 4.27Å; Y649-L717 HydrophobicContact CG-CB 4.04Å; Y649-L717 HydrophobicContact CG-CD1 4.45Å; Y649-L717 HydrophobicContact CG-CD2 3.76Å; Y649-L717 HydrophobicContact CG-CG 4.29Å; Q713-L717 PolarHBondContact O-N 3.29Å; R714-L717 PolarHBondContact O-N 3.32Å; L717-D719 PolarHBondContact O-N 3.34Å; L717-T720 WeakPolarHBondContact O-CB 3.45Å; L717-T720 PolarHBondContact O-N 3.12Å; L717-T720 VanDerWaalsContact O-N 3.15Å; L717-L721 HydrophobicContact CD1-CD1 4.05Å; L717-L721 HydrophobicContact CD1-CD2 4.45Å; L717-L721 HydrophobicContact CD1-CG 3.96Å; L717-L721 HydrophobicContact CG-CD1 4.02Å; L717-L721 HydrophobicContact CG-CG 4.38Å; L717-L721 WeakPolarHBondContact O-CG 3.47Å; L717-L721 PolarHBondContact O-N 2.75Å
718F95.8Very high91.3Very high5 Ų538.5 Ų38.52%0.02221%0.209CC..Hα-helixtrans-55.5-52.3174.8175.5-98.3000111.3E199 L203 L206 H207 L210 V211 R714 T715 Q716 T720 L721 V722E199-F718 WeakPolarHBondContact OE2-CZ 3.48Å; L203-F718 HydrophobicContact CB-CZ 4.38Å; L203-F718 VanDerWaalsContact O-CE2 3.29Å; L203-F718 WeakPolarHBondContact O-CE2 3.37Å; L206-F718 HydrophobicContact CB-CE2 4.23Å; L206-F718 HydrophobicContact CD2-CD2 4.29Å; L206-F718 HydrophobicContact CD2-CE2 4.19Å; L206-F718 HydrophobicContact CG-CD2 4.18Å; L206-F718 HydrophobicContact CG-CE2 4.17Å; H207-F718 HydrophobicContact CB-CD2 3.97Å; H207-F718 HydrophobicContact CB-CE1 4.49Å; H207-F718 HydrophobicContact CB-CE2 3.61Å; H207-F718 HydrophobicContact CB-CZ 3.88Å; L210-F718 HydrophobicContact CD2-CB 4.02Å; V211-F718 HydrophobicContact CG2-CB 3.96Å; V211-F718 HydrophobicContact CG2-CG 4.45Å; R714-F718 PolarHBondContact O-N 3Å; T715-F718 WeakPolarHBondContact O-CB 3.23Å; T715-F718 PolarHBondContact O-N 2.78Å; Q716-F718 VanDerWaalsContact C-N 3.35Å; F718-T720 PolarHBondContact O-N 3.34Å; F718-L721 PolarHBondContact O-N 2.84Å; F718-L721 VanDerWaalsContact O-N 3.11Å; F718-V722 HydrophobicContact CD1-CG2 4.05Å; F718-V722 HydrophobicContact CD2-CG2 4.13Å; F718-V722 HydrophobicContact CE1-CG2 3.66Å; F718-V722 HydrophobicContact CE2-CG2 3.72Å; F718-V722 HydrophobicContact CG-CG2 4.28Å; F718-V722 HydrophobicContact CZ-CG2 3.49Å; F718-V722 VanDerWaalsContact CZ-CG2 3.49Å; F718-V722 WeakPolarHBondContact O-CB 3.49Å; F718-V722 VanDerWaalsContact O-CG2 3.23Å; F718-V722 WeakPolarHBondContact O-CG2 3.45Å; F718-V722 PolarHBondContact O-N 2.76Å
719D92.4Very high91.8Very high49 Ų4934.3 Ų34.326%0.26219%0.186SC..Hα-helixtrans-59-34.2178.3-74.4-19.7000111.8Q180 T715 Q716 L717 N723Q180-D719 PolarHBondContact NE2-OD2 3.33Å; T715-D719 PolarHBondContact O-N 3.25Å; Q716-D719 PolarHBondContact O-N 2.66Å; L717-D719 PolarHBondContact O-N 3.34Å; D719-N723 PolarHBondContact O-ND2 3.17Å; D719-N723 VanDerWaalsContact O-ND2 3.09Å
720T94.6Very high92.3Very high50 Ų5032.3 Ų32.331%0.30718%0.177SC..Hα-helixtrans-66.9-48174.9-56.60000111.7L645 Q716 L717 F718 V722 N723L645-T720 HydrophobicContact CD1-CG2 4.03Å; Q716-T720 PolarHBondContact O-N 2.82Å; Q716-T720 PolarHBondContact O-OG1 2.87Å; L717-T720 WeakPolarHBondContact O-CB 3.45Å; L717-T720 PolarHBondContact O-N 3.12Å; L717-T720 VanDerWaalsContact O-N 3.15Å; F718-T720 PolarHBondContact O-N 3.34Å; T720-V722 VanDerWaalsContact C-N 3.33Å; T720-V722 PolarHBondContact O-N 3.29Å; T720-N723 WeakPolarHBondContact O-CB 3.37Å; T720-N723 PolarHBondContact O-N 2.73Å
721L96.2Very high92.5Very high0 Ų030.5 Ų30.50%017%0.167CC..Hα-helixtrans-66.2-35.7-179.2-69171.7000112.3L210 C642 L645 I646 L717 F718 N723 F724 F725L210-L721 HydrophobicContact CD2-CD1 4.03Å; C642-L721 HydrophobicContact CB-CD2 3.98Å; L645-L721 HydrophobicContact CD1-CD2 4.29Å; I646-L721 HydrophobicContact CD1-CD1 4.18Å; I646-L721 HydrophobicContact CG1-CD1 3.88Å; I646-L721 HydrophobicContact CG1-CD2 4.4Å; L717-L721 HydrophobicContact CD1-CD1 4.05Å; L717-L721 HydrophobicContact CD1-CD2 4.45Å; L717-L721 HydrophobicContact CD1-CG 3.96Å; L717-L721 HydrophobicContact CG-CD1 4.02Å; L717-L721 HydrophobicContact CG-CG 4.38Å; L717-L721 WeakPolarHBondContact O-CG 3.47Å; L717-L721 PolarHBondContact O-N 2.75Å; F718-L721 PolarHBondContact O-N 2.84Å; F718-L721 VanDerWaalsContact O-N 3.11Å; L721-N723 PolarHBondContact O-N 2.92Å; L721-F724 VanDerWaalsContact O-CD2 3.3Å; L721-F724 WeakPolarHBondContact O-CD2 3.34Å; L721-F724 PolarHBondContact O-N 3.02Å; L721-F725 WeakPolarHBondContact O-CD2 3.4Å
722V95.1Very high92.5Very high7 Ų730 Ų304%0.04217%0.166CC..Hα-helixtrans-63-25.9-179.9168.40000112.2L203 F718 T720 F724 F725 T730L203-V722 HydrophobicContact CD1-CG1 4.21Å; L203-V722 HydrophobicContact CD1-CG2 4.35Å; L203-V722 HydrophobicContact CD2-CG2 4.34Å; F718-V722 HydrophobicContact CD1-CG2 4.05Å; F718-V722 HydrophobicContact CD2-CG2 4.13Å; F718-V722 HydrophobicContact CE1-CG2 3.66Å; F718-V722 HydrophobicContact CE2-CG2 3.72Å; F718-V722 HydrophobicContact CG-CG2 4.28Å; F718-V722 HydrophobicContact CZ-CG2 3.49Å; F718-V722 VanDerWaalsContact CZ-CG2 3.49Å; F718-V722 WeakPolarHBondContact O-CB 3.49Å; F718-V722 VanDerWaalsContact O-CG2 3.23Å; F718-V722 WeakPolarHBondContact O-CG2 3.45Å; F718-V722 PolarHBondContact O-N 2.76Å; T720-V722 VanDerWaalsContact C-N 3.33Å; T720-V722 PolarHBondContact O-N 3.29Å; V722-F724 PolarHBondContact O-N 2.76Å; V722-F724 VanDerWaalsContact O-N 3.16Å; V722-F725 WeakPolarHBondContact O-CB 3.4Å; V722-F725 PolarHBondContact O-N 3.49Å; V722-T730 VanDerWaalsContact CG1-CB 3.5Å; V722-T730 HydrophobicContact CG1-CG2 3.31Å; V722-T730 WeakPolarHBondContact O-CG2 3.15Å
723N93.4Very high92.4Very high99 Ų9936.5 Ų36.553%0.52919%0.194SC..THydrogen-bonded Turntrans-64.2-18.3177-67.6-44.5000114.2Y235 D719 T720 L721 F725Y235-N723 VanDerWaalsContact CD2-O 3.27Å; Y235-N723 WeakPolarHBondContact CD2-O 3.34Å; D719-N723 PolarHBondContact O-ND2 3.17Å; D719-N723 VanDerWaalsContact O-ND2 3.09Å; T720-N723 WeakPolarHBondContact O-CB 3.37Å; T720-N723 PolarHBondContact O-N 2.73Å; L721-N723 PolarHBondContact O-N 2.92Å; N723-F725 VanDerWaalsContact C-N 3.27Å
724F94.7Very high92.2Very high13 Ų1337.3 Ų37.36%0.05721%0.208CC..THydrogen-bonded Turntrans-80.9-7.8175.5-58.7-67.8000113.1F232 Y235 L638 H641 L645 L721 V722F232-F724 HydrophobicContact CD1-CB 4.06Å; F232-F724 VanDerWaalsContact CD1-O 3.31Å; F232-F724 WeakPolarHBondContact CD1-O 3.49Å; F232-F724 HydrophobicContact CD2-CB 4.12Å; F232-F724 HydrophobicContact CE1-CB 3.66Å; F232-F724 HydrophobicContact CE2-CB 3.72Å; F232-F724 HydrophobicContact CE2-CG 4.18Å; F232-F724 HydrophobicContact CG-CB 4.29Å; F232-F724 HydrophobicContact CZ-CB 3.47Å; F232-F724 VanDerWaalsContact CZ-CB 3.47Å; F232-F724 HydrophobicContact CZ-CG 4.22Å; Y235-F724 WeakPolarHBondContact CB-O 3.36Å; Y235-F724 AromaticContact CD1-CD1 3.97Å; Y235-F724 HydrophobicContact CD1-CD1 3.97Å; Y235-F724 HydrophobicContact CD2-CD1 4.29Å; Y235-F724 AromaticContact CE1-CD1 3.66Å; Y235-F724 HydrophobicContact CE1-CD1 3.66Å; Y235-F724 AromaticContact CE1-CE1 3.97Å; Y235-F724 HydrophobicContact CE1-CE1 3.97Å; Y235-F724 AromaticContact CE2-CD1 3.99Å; Y235-F724 HydrophobicContact CE2-CD1 3.99Å; Y235-F724 HydrophobicContact CE2-CE1 4.39Å; Y235-F724 HydrophobicContact CG-CD1 4.28Å; Y235-F724 AromaticContact CZ-CD1 3.67Å; Y235-F724 AromaticContact CZ-CE1 3.79Å; L638-F724 HydrophobicContact CD2-CD1 4.36Å; L638-F724 HydrophobicContact CD2-CE1 4.23Å; H641-F724 AromaticContact CD2-CZ 3.91Å; L645-F724 HydrophobicContact CD1-CE2 4.11Å; L645-F724 HydrophobicContact CD1-CZ 4.43Å; L721-F724 VanDerWaalsContact O-CD2 3.3Å; L721-F724 WeakPolarHBondContact O-CD2 3.34Å; L721-F724 PolarHBondContact O-N 3.02Å; V722-F724 PolarHBondContact O-N 2.76Å; V722-F724 VanDerWaalsContact O-N 3.16Å
725F95.3Very high91.8Very high7 Ų738.4 Ų38.43%0.03122%0.217CC..SBendtrans-96.5159.9-178.9-68.9-91.1000112.6M202 L203 I223 A226 L231 F232 L721 V722 N723 M729 T730M202-F725 HydrophobicContact CE-CD1 3.8Å; M202-F725 HydrophobicContact CE-CE1 3.11Å; M202-F725 HydrophobicContact CE-CZ 3.71Å; L203-F725 HydrophobicContact CD2-CD1 4.09Å; L203-F725 HydrophobicContact CD2-CD2 3.87Å; L203-F725 HydrophobicContact CD2-CE1 4.11Å; L203-F725 HydrophobicContact CD2-CE2 3.86Å; L203-F725 HydrophobicContact CD2-CG 3.96Å; L203-F725 HydrophobicContact CD2-CZ 3.96Å; I223-F725 HydrophobicContact CD1-CE2 4.16Å; I223-F725 HydrophobicContact CD1-CZ 4.12Å; A226-F725 HydrophobicContact CB-CE1 3.45Å; A226-F725 VanDerWaalsContact CB-CE1 3.45Å; A226-F725 HydrophobicContact CB-CZ 3.66Å; L231-F725 HydrophobicContact CB-CD1 3.99Å; L231-F725 HydrophobicContact CB-CE1 4.11Å; L231-F725 HydrophobicContact CD1-CD1 4.2Å; L231-F725 HydrophobicContact CD1-CE1 3.94Å; F232-F725 HydrophobicContact CD1-CE1 4.42Å; F232-F725 HydrophobicContact CE1-CD1 4.22Å; F232-F725 HydrophobicContact CE1-CD2 4.03Å; F232-F725 AromaticContact CE1-CE1 3.85Å; F232-F725 HydrophobicContact CE1-CE1 3.85Å; F232-F725 AromaticContact CE1-CE2 3.7Å; F232-F725 HydrophobicContact CE1-CE2 3.7Å; F232-F725 HydrophobicContact CE1-CG 4.31Å; F232-F725 AromaticContact CE1-CZ 3.61Å; F232-F725 HydrophobicContact CE1-CZ 3.61Å; F232-F725 HydrophobicContact CZ-CE2 4.26Å; F232-F725 HydrophobicContact CZ-CZ 4.36Å; L721-F725 WeakPolarHBondContact O-CD2 3.4Å; V722-F725 WeakPolarHBondContact O-CB 3.4Å; V722-F725 PolarHBondContact O-N 3.49Å; N723-F725 VanDerWaalsContact C-N 3.27Å; F725-M729 HydrophobicContact CD1-SD 4.45Å; F725-T730 HydrophobicContact CB-CG2 3.97Å
726P92.4Very high91.5Very high16 Ų1640.7 Ų40.710%0.10423%0.229CC..  trans-58.1137.8174.2-26.338.6000112.1L231 Q234 S728 M729 T730L231-P726 VanDerWaalsContact O-CD 3.25Å; L231-P726 WeakPolarHBondContact O-CD 3.45Å; L231-P726 WeakPolarHBondContact O-CG 3.36Å; Q234-P726 VanDerWaalsContact OE1-CB 3.31Å; P726-S728 PolarHBondContact O-N 3.14Å; P726-M729 HydrophobicContact CB-CG 4.28Å; P726-M729 HydrophobicContact CG-CG 4.44Å; P726-M729 HydrophobicContact CG-SD 4.02Å; P726-M729 WeakPolarHBondContact O-CB 3.46Å; P726-M729 PolarHBondContact O-N 2.74Å; P726-T730 WeakPolarHBondContact O-CG2 3.48Å; P726-T730 PolarHBondContact O-N 3.49Å
727D87.8Confident91.2Very high81 Ų8141.4 Ų41.443%0.43324%0.238SC..THydrogen-bonded Turntrans-53.8-28.4177.7-77.1-7.4000113.3M729 T730 K733D727-M729 PolarHBondContact O-N 3.4Å; D727-T730 PolarHBondContact O-N 2.75Å; D727-T730 PolarHBondContact O-OG1 2.82Å; D727-K733 WeakPolarHBondContact OD1-CE 3.36Å; D727-K733 IonicContact OD1-NZ 3.25Å; D727-K733 PolarHBondContact OD1-NZ 3.29Å; D727-K733 IonicContact OD2-NZ 2.61Å; D727-K733 PolarHBondContact OD2-NZ 3.45Å
728S88.9Confident90.7Very high106 Ų10647 Ų4774%0.74127%0.268SS*.THydrogen-bonded Turntrans-68.6-18.8176.263.10000114.1P726P726-S728 PolarHBondContact O-N 3.14Å
729M93.6Very high90Very high17 Ų1752 Ų528%0.08430%0.295CS..THydrogen-bonded Turntrans-94.9-28.5179.1-64.2-176.172.700112.4E199 H200 M202 L203 L231 F725 P726 D727E199-M729 WeakPolarHBondContact CA-O 3.47Å; E199-M729 VanDerWaalsContact CB-O 3.31Å; E199-M729 WeakPolarHBondContact CB-O 3.35Å; H200-M729 HydrophobicContact CB-CB 3.88Å; H200-M729 HydrophobicContact CB-CE 3.66Å; H200-M729 HydrophobicContact CB-CG 4.15Å; H200-M729 PolarHBondContact N-O 3.2Å; H200-M729 VanDerWaalsContact ND1-CE 3.31Å; H200-M729 WeakPolarHBondContact ND1-CE 3.42Å; M202-M729 HydrophobicContact CE-CE 3.98Å; L203-M729 HydrophobicContact CD1-CB 4.14Å; L203-M729 WeakPolarHBondContact CD1-O 3.44Å; L231-M729 HydrophobicContact CD1-CE 3.9Å; L231-M729 HydrophobicContact CD1-SD 4.23Å; L231-M729 HydrophobicContact CD2-CE 4.45Å; L231-M729 HydrophobicContact CD2-SD 4.01Å; F725-M729 HydrophobicContact CD1-SD 4.45Å; P726-M729 HydrophobicContact CB-CG 4.28Å; P726-M729 HydrophobicContact CG-CG 4.44Å; P726-M729 HydrophobicContact CG-SD 4.02Å; P726-M729 WeakPolarHBondContact O-CB 3.46Å; P726-M729 PolarHBondContact O-N 2.74Å; D727-M729 PolarHBondContact O-N 3.4Å
730T93.1Very high89.4Confident9 Ų955 Ų556%0.05531%0.31CS..SBendtrans-83.3163.2-166.262.50000112.8R172 L203 V722 F725 P726 D727R172-T730 PolarHBondContact NH2-O 2.97Å; L203-T730 HydrophobicContact CD1-CG2 4.23Å; V722-T730 VanDerWaalsContact CG1-CB 3.5Å; V722-T730 HydrophobicContact CG1-CG2 3.31Å; V722-T730 WeakPolarHBondContact O-CG2 3.15Å; F725-T730 HydrophobicContact CB-CG2 3.97Å; P726-T730 WeakPolarHBondContact O-CG2 3.48Å; P726-T730 PolarHBondContact O-N 3.49Å; D727-T730 PolarHBondContact O-N 2.75Å; D727-T730 PolarHBondContact O-OG1 2.82Å
731P91.1Very high88.4Confident13 Ų1359.2 Ų59.28%0.08434%0.335CS..PPolyproline II helixtrans-60159.7164-22.935.5000111.9K176 L198 E199 K733K176-P731 HydrophobicContact CD-CB 4.29Å; L198-P731 HydrophobicContact CD1-CB 4.09Å; L198-P731 HydrophobicContact CD2-CB 4.46Å; L198-P731 HydrophobicContact CD2-CG 4.41Å; L198-P731 HydrophobicContact CG-CB 4.18Å; L198-P731 HydrophobicContact CG-CG 4.3Å; E199-P731 HydrophobicContact CB-CG 4.18Å; E199-P731 WeakPolarHBondContact OE2-CD 3.34Å; E199-P731 WeakPolarHBondContact OE2-CG 3.38Å; P731-K733 PolarHBondContact O-N 3.22Å
732P90.1Very high86.8Confident11 Ų1170.4 Ų70.47%0.07139%0.394CS..PPolyproline II helixtrans-55.2136.1173.1-23.533.2000112.2R172 L173 K176 G734R172-P732 HydrophobicContact CB-CG 3.5Å; R172-P732 VanDerWaalsContact CB-CG 3.5Å; L173-P732 HydrophobicContact CD2-CB 3.7Å; L173-P732 HydrophobicContact CD2-CG 4.38Å; L173-P732 HydrophobicContact CG-CB 4.06Å; L173-P732 HydrophobicContact CG-CG 4.33Å; K176-P732 WeakPolarHBondContact CD-O 3.32Å; K176-P732 PolarHBondContact NZ-O 2.99Å; P732-G734 VanDerWaalsContact C-N 3.33Å; P732-G734 PolarHBondContact O-N 2.72Å
733K85.4Confident86.3Confident139 Ų13973.6 Ų73.660%0.60441%0.411SS*.SBendtrans-66.7-32.4-179.9-70.6-178.6176.3167.20113.2K176 D727 P731K176-K733 PolarHBondContact NZ-O 3.25Å; D727-K733 WeakPolarHBondContact OD1-CE 3.36Å; D727-K733 IonicContact OD1-NZ 3.25Å; D727-K733 PolarHBondContact OD1-NZ 3.29Å; D727-K733 IonicContact OD2-NZ 2.61Å; D727-K733 PolarHBondContact OD2-NZ 3.45Å; P731-K733 PolarHBondContact O-N 3.22Å
734G83.6Confident86Confident39 Ų3972.2 Ų72.240%0.40241%0.405SS..SBendtrans-68.1166178.200000113.6L173 K176 P732L173-G734 VanDerWaalsContact CD2-O 3.27Å; L173-G734 WeakPolarHBondContact CD2-O 3.46Å; K176-G734 PolarHBondContact NZ-O 3.01Å; P732-G734 VanDerWaalsContact C-N 3.33Å; P732-G734 PolarHBondContact O-N 2.72Å
735N84.7Confident85.5Confident62 Ų6275.5 Ų75.533%0.33242%0.424SS..  trans-114.8144.6169.6-52.9-64.9000110.3K176 V737 D738K176-N735 PolarHBondContact NZ-OD1 2.9Å; N735-V737 PolarHBondContact O-N 3Å; N735-D738 WeakPolarHBondContact CB-OD2 3.41Å; N735-D738 PolarHBondContact ND2-OD2 3.36Å; N735-D738 PolarHBondContact O-N 2.85Å
736L87.6Confident84.9Confident52 Ų5279.5 Ų79.527%0.27245%0.448SS..SBendtrans-59.9-36.2-179.2-176.963.8000112.1H177 D738 L739H177-L736 HydrophobicContact CB-CB 4.06Å; H177-L736 HydrophobicContact CB-CD2 3.93Å; L736-D738 VanDerWaalsContact C-N 3.32Å; L736-D738 PolarHBondContact O-N 2.87Å; L736-L739 HydrophobicContact CD1-CD1 4.27Å; L736-L739 WeakPolarHBondContact O-CB 3.15Å; L736-L739 PolarHBondContact O-N 2.71Å
737V84.9Confident84.4Confident93 Ų9383.5 Ų83.556%0.56447%0.469SS*.G310 helixtrans-68.8-31.7-178.2-173.20000111.7N735 L739 I740N735-V737 PolarHBondContact O-N 3Å; V737-L739 PolarHBondContact O-N 2.83Å; V737-L739 VanDerWaalsContact O-N 3.14Å; V737-I740 WeakPolarHBondContact O-CB 3.37Å; V737-I740 PolarHBondContact O-N 3.2Å; V737-I740 VanDerWaalsContact O-N 3.07Å
738D83.5Confident84.2Confident118 Ų11883.7 Ų83.763%0.63147%0.471SS*.G310 helixtrans-68.1-12.9179.2-58.3-25.7000112.5N735 L736 I740N735-D738 WeakPolarHBondContact CB-OD2 3.41Å; N735-D738 PolarHBondContact ND2-OD2 3.36Å; N735-D738 PolarHBondContact O-N 2.85Å; L736-D738 VanDerWaalsContact C-N 3.32Å; L736-D738 PolarHBondContact O-N 2.87Å; D738-I740 VanDerWaalsContact C-N 3.29Å
739L80.5Confident83.9Confident111 Ų11182.1 Ų82.158%0.58145%0.452SS*.G310 helixtrans-80.3-10.2174.9-59.9-179.6000113.1L173 L736 V737 T741L173-L739 HydrophobicContact CD1-CD1 4.12Å; L736-L739 HydrophobicContact CD1-CD1 4.27Å; L736-L739 WeakPolarHBondContact O-CB 3.15Å; L736-L739 PolarHBondContact O-N 2.71Å; V737-L739 PolarHBondContact O-N 2.83Å; V737-L739 VanDerWaalsContact O-N 3.14Å; L739-T741 PolarHBondContact O-N 3.15Å
740I81.1Confident83.1Confident113 Ų11387.1 Ų87.158%0.57948%0.481SS*.  trans-83.6106.8177-53.7-57.3000108.8V737 D738 L742V737-I740 WeakPolarHBondContact O-CB 3.37Å; V737-I740 PolarHBondContact O-N 3.2Å; V737-I740 VanDerWaalsContact O-N 3.07Å; D738-I740 VanDerWaalsContact C-N 3.29Å; I740-L742 HydrophobicContact CG2-CD2 4.3Å; I740-L742 PolarHBondContact O-N 3.3Å
741T73.5Confident82.3Confident137 Ų13793.6 Ų93.684%0.8452%0.516SS*.  trans-76.5114.9170.355.50000109.1L739L739-T741 PolarHBondContact O-N 3.15Å
742L61.4Low81.5Confident235 Ų235100.9 Ų100.9100%1.2356%0.555SS**  trans-88.60174.4-69174000112.3I740I740-L742 HydrophobicContact CG2-CD2 4.3Å; I740-L742 PolarHBondContact O-N 3.3Å

Retrieved 742 of 742 residues in 557.3 ms (Link to these results)

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