A0A096NJT7_PAPAN Loading...

Heat shock protein 90 alpha family class A member 1

AlphaFold DB (Q4R4P1), UniProt , Accession A0A096NJT7, Species PAPAN (Papio anubis, Olive baboon), Gene HSP90AA1, Length 733 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
1M41.1Very low50.5Low234 Ų234163.9 Ų163.9100%1.15386%0.856SS**  0134.50-76.3-166.266.100107.2
2P47.8Very low50.8Low113 Ų113165.6 Ų165.673%0.73486%0.861SS**  -85.2163.2-110.136.9-34000111.9
3E46.9Very low51.1Low182 Ų182167.1 Ų167.185%0.8586%0.861SS**  -153.7141.953-77.2170.5143.400112
4E46.7Very low51.6Low192 Ų192169 Ų16990%0.89786%0.864SS**  trans-74.6123.4166.5-67.8168.1151.100109.5
5T52.7Low52.6Low142 Ų142170 Ų17087%0.87186%0.864SS**  trans-104.8109.8165.514.10000109.4T7T5-T7 PolarHBondContact O-N 2.66Å
6Q51.3Low54Low172 Ų172170.8 Ų170.880%0.80486%0.863SS**  trans-61.4121.5178.1-67.6169.6-11.600111.3Q8Q6-Q8 PolarHBondContact O-N 3.09Å
7T51.5Low55.7Low138 Ų138168.6 Ų168.685%0.84786%0.86SS**  trans-75.2109.5157.841.20000108.2T5 D9T5-T7 PolarHBondContact O-N 2.66Å; T7-D9 PolarHBondContact O-N 3.48Å
8Q52.5Low57.5Low170 Ų170167.3 Ų167.379%0.79485%0.85SS**  trans-75.1115.2171.8-74.7178.5-13.100109.4Q6 Q10Q6-Q8 PolarHBondContact O-N 3.09Å; Q8-Q10 PolarHBondContact O-N 3.35Å
9D53.7Low59.2Low164 Ų164165.4 Ų165.488%0.87785%0.848SS**  trans-59.8112.5159.4-83.9-37.4000108.5T7T7-D9 PolarHBondContact O-N 3.48Å
10Q55.7Low60.8Low180 Ų180165.1 Ų165.184%0.84184%0.84SS**  trans-76.4128166.1-79.5-177.3-12.900108.7Q8 M12Q8-Q10 PolarHBondContact O-N 3.35Å; Q10-M12 PolarHBondContact O-N 2.76Å
11P56Low62.2Low116 Ų116161.4 Ų161.475%0.75384%0.835SS**  trans-66.1128.4171.327.6-29.3000108.5E13P11-E13 PolarHBondContact O-N 3.3Å; P11-E13 VanDerWaalsContact O-N 3.1Å
12M53.4Low64.5Low184 Ų184160.6 Ų160.691%0.90683%0.825SS**  trans-54.2115.8163.9-86.5171.450.700107.8Q10 E14Q10-M12 PolarHBondContact O-N 2.76Å; M12-E14 PolarHBondContact O-N 2.94Å; M12-E14 VanDerWaalsContact O-N 3.16Å
13E55.7Low66.3Low185 Ų185164.4 Ų164.486%0.86483%0.833SS**  trans-58.1115.5168.8-74.6177.2156.900108.1P11 E15P11-E13 PolarHBondContact O-N 3.3Å; P11-E13 VanDerWaalsContact O-N 3.1Å; E13-E15 PolarHBondContact O-N 3.08Å; E13-E15 VanDerWaalsContact O-N 3.13Å
14E58Low68.1Low194 Ų194159.3 Ų159.391%0.90782%0.822SS**  trans-64.5105.1166.5-70.3179158.400107.4M12 E16M12-E14 PolarHBondContact O-N 2.94Å; M12-E14 VanDerWaalsContact O-N 3.16Å; E14-E16 PolarHBondContact O-N 2.89Å
15E66Low70Confident184 Ų184155.7 Ų155.786%0.8681%0.805SS**  trans-58.7131.8173.4-69.8-174164.500110.2E13 V17E13-E15 PolarHBondContact O-N 3.08Å; E13-E15 VanDerWaalsContact O-N 3.13Å; E15-V17 PolarHBondContact O-N 3.4Å
16E74.5Confident71.6Confident183 Ų183153.7 Ų153.786%0.85579%0.788SS**  trans-60.4119.9177-84-172.8153.300110.5E14 E18E14-E16 PolarHBondContact O-N 2.89Å; E16-E18 PolarHBondContact O-N 3.01Å
17V82.8Confident73Confident134 Ų134148.3 Ų148.381%0.81277%0.773SS**  trans-77.7110.7175.7178.40000109.7E15E15-V17 PolarHBondContact O-N 3.4Å
18E89.4Confident74.6Confident144 Ų144147.1 Ų147.167%0.67376%0.758SS**  trans-86.3130.7171.4-65.1-175.6-173.900111.5E16 F20E16-E18 PolarHBondContact O-N 3.01Å; E18-F20 HydrophobicContact CB-CD2 4.49Å; E18-F20 HydrophobicContact CB-CE2 3.65Å; E18-F20 HydrophobicContact CB-CZ 4.11Å; E18-F20 WeakPolarHBondContact OE2-CZ 3.48Å
19T89.4Confident76.2Confident131 Ų131141.6 Ų141.680%0.80473%0.734SS**  trans-112.2125.9179.1-60.80000110.3
20F91Very high77.7Confident159 Ų159134.4 Ų134.470%0.69770%0.695SS**  trans-117.8146176.9-60.1-88.8000110.9E18E18-F20 HydrophobicContact CB-CD2 4.49Å; E18-F20 HydrophobicContact CB-CE2 3.65Å; E18-F20 HydrophobicContact CB-CZ 4.11Å; E18-F20 WeakPolarHBondContact OE2-CZ 3.48Å
21A90.6Very high79.1Confident89 Ų89128.6 Ų128.674%0.73667%0.674SS**  trans-79.1145.7170.700000110.6Q23A21-Q23 PolarHBondContact O-N 3.24Å
22F89.7Confident80.5Confident217 Ų217127 Ų12795%0.95266%0.659SS**  trans-61.6135.5172.4-71.1-77.6000110.9
23Q86Confident82Confident193 Ų193118.3 Ų118.390%0.90262%0.616SS**  trans-112.7152.9172.3-64.2-172.2-16.400109.8A21A21-Q23 PolarHBondContact O-N 3.24Å
24A84.6Confident83.3Confident74 Ų74110.3 Ų110.361%0.61258%0.579SS**  trans-131.7131.8177.100000110.4I26A24-I26 PolarHBondContact O-N 2.87Å
25E86.4Confident84.4Confident116 Ų116106.4 Ų106.454%0.54256%0.564SS.*  trans-78.799.8175-170.2177.7152.500109.8A27 Q28 L29E25-A27 VanDerWaalsContact C-N 3.27Å; E25-A27 PolarHBondContact O-N 3.26Å; E25-Q28 HydrophobicContact CB-CB 4.39Å; E25-Q28 VanDerWaalsContact CD-CD 3.45Å; E25-Q28 HydrophobicContact CG-CB 4.4Å; E25-Q28 HydrophobicContact CG-CG 4.17Å; E25-Q28 PolarHBondContact O-N 3.35Å; E25-Q28 VanDerWaalsContact O-N 3.16Å; E25-Q28 WeakPolarHBondContact OE1-CG 3.39Å; E25-Q28 PolarHBondContact OE1-NE2 3.23Å; E25-Q28 PolarHBondContact OE2-NE2 2.7Å; E25-L29 PolarHBondContact O-N 3.16Å
26I84.5Confident85.3Confident101 Ų101102.1 Ų102.152%0.51855%0.551SS.*Hα-helixtrans-57-39.5-171.6-63176000112A24 Q28 L29 M30 I110A24-I26 PolarHBondContact O-N 2.87Å; I26-Q28 PolarHBondContact O-N 3.01Å; I26-L29 PolarHBondContact O-N 2.9Å; I26-M30 HydrophobicContact CG2-CG 4.23Å; I26-M30 WeakPolarHBondContact O-CB 3.41Å; I26-M30 WeakPolarHBondContact O-CG 3.36Å; I26-M30 PolarHBondContact O-N 3.38Å; I26-I110 HydrophobicContact CG2-CD1 3.99Å
27A80.9Confident85.7Confident59 Ų5996.2 Ų96.249%0.48852%0.523SS..Hα-helixtrans-62.2-44.3-179.900000112.2E25 S31E25-A27 VanDerWaalsContact C-N 3.27Å; E25-A27 PolarHBondContact O-N 3.26Å; A27-S31 PolarHBondContact O-N 3.38Å; A27-S31 VanDerWaalsContact O-N 3.17Å
28Q85.1Confident85.7Confident112 Ų11290.7 Ų90.752%0.52349%0.487SS..Hα-helixtrans-69.2-41.2175.2-70.2-176.820.200111.7E25 I26 M30 S31 L32E25-Q28 HydrophobicContact CB-CB 4.39Å; E25-Q28 VanDerWaalsContact CD-CD 3.45Å; E25-Q28 HydrophobicContact CG-CB 4.4Å; E25-Q28 HydrophobicContact CG-CG 4.17Å; E25-Q28 PolarHBondContact O-N 3.35Å; E25-Q28 VanDerWaalsContact O-N 3.16Å; E25-Q28 WeakPolarHBondContact OE1-CG 3.39Å; E25-Q28 PolarHBondContact OE1-NE2 3.23Å; E25-Q28 PolarHBondContact OE2-NE2 2.7Å; I26-Q28 PolarHBondContact O-N 3.01Å; Q28-M30 PolarHBondContact O-N 3.47Å; Q28-S31 WeakPolarHBondContact O-CB 3.21Å; Q28-S31 PolarHBondContact O-N 3.01Å; Q28-L32 WeakPolarHBondContact O-CG 3.4Å; Q28-L32 PolarHBondContact O-N 3.27Å
29L86.7Confident85.4Confident54 Ų5488.8 Ų88.828%0.28349%0.49SS..Hα-helixtrans-62.3-42.3178.6-17758.7000112E25 I26 S31 L32 I33 I110E25-L29 PolarHBondContact O-N 3.16Å; I26-L29 PolarHBondContact O-N 2.9Å; L29-S31 VanDerWaalsContact C-N 3.35Å; L29-L32 PolarHBondContact O-N 2.96Å; L29-I33 HydrophobicContact CD1-CD1 4.38Å; L29-I33 HydrophobicContact CG-CD1 4.1Å; L29-I33 VanDerWaalsContact O-CG1 3.31Å; L29-I33 WeakPolarHBondContact O-CG1 3.29Å; L29-I33 PolarHBondContact O-N 2.65Å; L29-I110 HydrophobicContact CB-CD1 4.44Å; L29-I110 HydrophobicContact CD2-CB 4.38Å; L29-I110 HydrophobicContact CD2-CD1 3.9Å; L29-I110 HydrophobicContact CD2-CG2 3.83Å; L29-I110 HydrophobicContact CG-CD1 4.07Å; L29-I110 HydrophobicContact CG-CG2 4.34Å
30M84.7Confident85.3Confident13 Ų1385.1 Ų85.16%0.06447%0.466CS..Hα-helixtrans-59.8-45.2173.1-78.8-61.1-62.900111.5I26 Q28 L32 I33 I34 I110 Y139 Y142 A166I26-M30 HydrophobicContact CG2-CG 4.23Å; I26-M30 WeakPolarHBondContact O-CB 3.41Å; I26-M30 WeakPolarHBondContact O-CG 3.36Å; I26-M30 PolarHBondContact O-N 3.38Å; Q28-M30 PolarHBondContact O-N 3.47Å; M30-L32 VanDerWaalsContact C-N 3.32Å; M30-L32 PolarHBondContact O-N 3.04Å; M30-I33 PolarHBondContact O-N 2.7Å; M30-I34 HydrophobicContact CE-CD1 4.11Å; M30-I34 VanDerWaalsContact O-CG1 3.26Å; M30-I34 WeakPolarHBondContact O-CG1 3.43Å; M30-I34 PolarHBondContact O-N 2.72Å; M30-I110 HydrophobicContact CG-CD1 3.78Å; M30-I110 HydrophobicContact SD-CD1 3.57Å; M30-I110 VanDerWaalsContact SD-CD1 3.57Å; M30-I110 HydrophobicContact SD-CG1 4.02Å; M30-Y139 HydrophobicContact CE-CD1 3.53Å; M30-Y139 HydrophobicContact CE-CE1 4.17Å; M30-Y139 HydrophobicContact CE-CG 3.92Å; M30-Y139 HydrophobicContact SD-CD1 3.85Å; M30-Y139 HydrophobicContact SD-CD2 4.39Å; M30-Y139 HydrophobicContact SD-CE1 4.09Å; M30-Y139 HydrophobicContact SD-CG 4Å; M30-Y142 HydrophobicContact CE-CD2 4.4Å; M30-A166 HydrophobicContact CE-CB 3.95Å
31S85.3Confident85.4Confident58 Ų5881.5 Ų81.541%0.40645%0.449SS..Hα-helixtrans-60.1-40.5175.8-175.20000112.2A27 Q28 L29 I34 N35A27-S31 PolarHBondContact O-N 3.38Å; A27-S31 VanDerWaalsContact O-N 3.17Å; Q28-S31 WeakPolarHBondContact O-CB 3.21Å; Q28-S31 PolarHBondContact O-N 3.01Å; L29-S31 VanDerWaalsContact C-N 3.35Å; S31-I34 PolarHBondContact O-N 2.74Å; S31-N35 VanDerWaalsContact O-CB 3.22Å; S31-N35 WeakPolarHBondContact O-CB 3.38Å; S31-N35 PolarHBondContact O-N 2.99Å; S31-N35 PolarHBondContact O-ND2 3.23Å; S31-N35 VanDerWaalsContact O-ND2 3.09Å; S31-N35 PolarHBondContact OG-ND2 3Å; S31-N35 VanDerWaalsContact OG-ND2 3.1Å
32L86.9Confident85.5Confident84 Ų8477.7 Ų77.744%0.4442%0.417SS..Hα-helixtrans-66.2-43.5176.3-72.5170.4000112.5Q28 L29 M30 I34 T36 F37Q28-L32 WeakPolarHBondContact O-CG 3.4Å; Q28-L32 PolarHBondContact O-N 3.27Å; L29-L32 PolarHBondContact O-N 2.96Å; M30-L32 VanDerWaalsContact C-N 3.32Å; M30-L32 PolarHBondContact O-N 3.04Å; L32-I34 VanDerWaalsContact C-N 3.3Å; L32-I34 PolarHBondContact O-N 3.34Å; L32-T36 WeakPolarHBondContact O-CA 3.45Å; L32-T36 VanDerWaalsContact O-CB 3.23Å; L32-T36 WeakPolarHBondContact O-CB 3.47Å; L32-T36 PolarHBondContact O-N 3.44Å; L32-T36 PolarHBondContact O-OG1 3.43Å; L32-F37 PolarHBondContact O-N 3.29Å
33I84.3Confident85.6Confident1 Ų167.4 Ų67.41%0.00537%0.371CS..Hα-helixtrans-61.1-43.1177.4-69.2165.7000110.4L29 M30 F37 I110 V136L29-I33 HydrophobicContact CD1-CD1 4.38Å; L29-I33 HydrophobicContact CG-CD1 4.1Å; L29-I33 VanDerWaalsContact O-CG1 3.31Å; L29-I33 WeakPolarHBondContact O-CG1 3.29Å; L29-I33 PolarHBondContact O-N 2.65Å; M30-I33 PolarHBondContact O-N 2.7Å; I33-F37 HydrophobicContact CB-CD2 4.35Å; I33-F37 HydrophobicContact CG1-CD2 3.99Å; I33-F37 HydrophobicContact CG1-CE2 3.71Å; I33-F37 HydrophobicContact CG1-CZ 4.25Å; I33-F37 HydrophobicContact CG2-CD2 4.44Å; I33-I110 HydrophobicContact CD1-CD1 4.32Å; I33-I110 HydrophobicContact CD1-CG2 3.57Å; I33-V136 HydrophobicContact CD1-CG1 4.26Å
34I83.2Confident86Confident17 Ų1758.2 Ų58.29%0.08733%0.328CS..Hα-helixtrans-74.1-47.6-178.6-63.4165.4000110.6M30 S31 L32 Y142 L143 A166M30-I34 HydrophobicContact CE-CD1 4.11Å; M30-I34 VanDerWaalsContact O-CG1 3.26Å; M30-I34 WeakPolarHBondContact O-CG1 3.43Å; M30-I34 PolarHBondContact O-N 2.72Å; S31-I34 PolarHBondContact O-N 2.74Å; L32-I34 VanDerWaalsContact C-N 3.3Å; L32-I34 PolarHBondContact O-N 3.34Å; I34-Y142 HydrophobicContact CD1-CD2 4.46Å; I34-Y142 HydrophobicContact CD1-CG 4.2Å; I34-L143 HydrophobicContact CG2-CD2 4.34Å; I34-L143 WeakPolarHBondContact O-CD2 3.44Å; I34-A166 HydrophobicContact CD1-CB 4.04Å
35N80.8Confident86.5Confident111 Ų11154.7 Ų54.759%0.59430%0.299SS*.Hα-helixtrans-96.1-15.5-166.9-62-49000114.6S31S31-N35 VanDerWaalsContact O-CB 3.22Å; S31-N35 WeakPolarHBondContact O-CB 3.38Å; S31-N35 PolarHBondContact O-N 2.99Å; S31-N35 PolarHBondContact O-ND2 3.23Å; S31-N35 VanDerWaalsContact O-ND2 3.09Å; S31-N35 PolarHBondContact OG-ND2 3Å; S31-N35 VanDerWaalsContact OG-ND2 3.1Å
36T84.5Confident86.9Confident94 Ų9449.2 Ų49.258%0.57727%0.274SS*.THydrogen-bonded Turntrans-123.4-31.2-169.2-43.30000113.7L32L32-T36 WeakPolarHBondContact O-CA 3.45Å; L32-T36 VanDerWaalsContact O-CB 3.23Å; L32-T36 WeakPolarHBondContact O-CB 3.47Å; L32-T36 PolarHBondContact O-N 3.44Å; L32-T36 PolarHBondContact O-OG1 3.43Å
37F82.6Confident87.3Confident60 Ų6044.6 Ų44.626%0.26325%0.25SC..SBendtrans-76.5-28-172.8-75.912.4000113.9L32 I33 I399 S400L32-F37 PolarHBondContact O-N 3.29Å; I33-F37 HydrophobicContact CB-CD2 4.35Å; I33-F37 HydrophobicContact CG1-CD2 3.99Å; I33-F37 HydrophobicContact CG1-CE2 3.71Å; I33-F37 HydrophobicContact CG1-CZ 4.25Å; I33-F37 HydrophobicContact CG2-CD2 4.44Å; F37-I399 HydrophobicContact CD2-CD1 3.87Å; F37-I399 HydrophobicContact CD2-CG1 3.93Å; F37-I399 HydrophobicContact CD2-CG2 4.23Å; F37-I399 HydrophobicContact CE2-CD1 3.38Å; F37-I399 HydrophobicContact CE2-CG1 3.99Å; F37-I399 HydrophobicContact CG-CG2 4.35Å; F37-I399 HydrophobicContact CZ-CD1 4.09Å; F37-S400 WeakPolarHBondContact O-CB 3.37Å
38Y84.1Confident88Confident17 Ų1742 Ų427%0.06723%0.228CC..  trans-114.1131.2-175.8-58.4-75.9000110.8I43 L143Y38-I43 HydrophobicContact CD1-CD1 3.21Å; Y38-I43 HydrophobicContact CD1-CG1 3.62Å; Y38-I43 HydrophobicContact CD2-CD1 3.97Å; Y38-I43 HydrophobicContact CE1-CD1 3.45Å; Y38-I43 VanDerWaalsContact CE1-CD1 3.45Å; Y38-I43 HydrophobicContact CE1-CG1 4.27Å; Y38-I43 HydrophobicContact CE2-CD1 4.17Å; Y38-I43 HydrophobicContact CG-CD1 3.48Å; Y38-I43 VanDerWaalsContact CG-CD1 3.48Å; Y38-I43 HydrophobicContact CG-CG1 3.9Å; Y38-L143 HydrophobicContact CD2-CD1 3.97Å; Y38-L143 HydrophobicContact CG-CD1 4.1Å
39S82.1Confident88.5Confident105 Ų10536.7 Ų36.773%0.73420%0.203SC*.SBendtrans-84.3-34.5178.270.50000112E402S39-E402 PolarHBondContact OG-OE2 3.12Å
40N87.6Confident88.7Confident54 Ų5434.2 Ų34.229%0.28919%0.19SC..  trans-116.5128.9-177.7-172.3-17.9000110E42 I43N40-E42 VanDerWaalsContact C-N 3.3Å; N40-E42 PolarHBondContact ND2-OE1 3.12Å; N40-E42 PolarHBondContact O-N 3.42Å; N40-E42 WeakPolarHBondContact OD1-CG 3.35Å; N40-E42 PolarHBondContact OD1-N 2.69Å; N40-I43 HydrophobicContact CB-CG2 4.46Å; N40-I43 WeakPolarHBondContact O-CG1 3.42Å
41K92.5Very high89.1Confident82 Ų8236 Ų3636%0.35720%0.2SC..THydrogen-bonded Turntrans-66.8-30-179.4-66.6-174.5-178.41790112.8I43 F44 L143 V144K41-I43 PolarHBondContact O-N 3.36Å; K41-F44 VanDerWaalsContact O-CD1 3.3Å; K41-F44 WeakPolarHBondContact O-CD1 3.31Å; K41-F44 PolarHBondContact O-N 3.15Å; K41-L143 HydrophobicContact CB-CB 4.49Å; K41-L143 HydrophobicContact CG-CB 4.42Å; K41-V144 HydrophobicContact CB-CG1 4.09Å
42E93.2Very high89.6Confident10 Ų1033.5 Ų33.55%0.04718%0.183CC..THydrogen-bonded Turntrans-61.6-16.5-173.684.2-171.6-175.700114.1N40 F44 L45 Y197 R202 I206 K209 H210N40-E42 VanDerWaalsContact C-N 3.3Å; N40-E42 PolarHBondContact ND2-OE1 3.12Å; N40-E42 PolarHBondContact O-N 3.42Å; N40-E42 WeakPolarHBondContact OD1-CG 3.35Å; N40-E42 PolarHBondContact OD1-N 2.69Å; E42-F44 PolarHBondContact O-N 2.89Å; E42-F44 VanDerWaalsContact O-N 3.16Å; E42-L45 PolarHBondContact O-N 3.01Å; E42-Y197 HydrophobicContact CB-CE1 4.18Å; E42-R202 IonicContact OE2-CZ 3.53Å; E42-R202 IonicContact OE2-NH1 2.74Å; E42-R202 PolarHBondContact OE2-NH1 2.99Å; E42-R202 VanDerWaalsContact OE2-NH1 3.07Å; E42-R202 IonicContact OE2-NH2 3.84Å; E42-R202 PolarHBondContact OE2-NH2 3.26Å; E42-I206 HydrophobicContact CB-CD1 3.99Å; E42-I206 HydrophobicContact CB-CG1 4.08Å; E42-K209 IonicContact OE1-NZ 2.79Å; E42-K209 PolarHBondContact OE1-NZ 3.16Å; E42-H210 IonicContact OE1-CD2 3.7Å; E42-H210 IonicContact OE1-CE1 3.59Å; E42-H210 IonicContact OE1-NE2 3.86Å; E42-H210 PolarHBondContact OE1-NE2 3.5Å
43I91.4Very high90Very high0 Ų029.7 Ų29.70%016%0.163CC..Hα-helixtrans-62-19.1178.764.288.5000113.3Y38 N40 K41 L45 R46 E47 S140 L143 E402Y38-I43 HydrophobicContact CD1-CD1 3.21Å; Y38-I43 HydrophobicContact CD1-CG1 3.62Å; Y38-I43 HydrophobicContact CD2-CD1 3.97Å; Y38-I43 HydrophobicContact CE1-CD1 3.45Å; Y38-I43 VanDerWaalsContact CE1-CD1 3.45Å; Y38-I43 HydrophobicContact CE1-CG1 4.27Å; Y38-I43 HydrophobicContact CE2-CD1 4.17Å; Y38-I43 HydrophobicContact CG-CD1 3.48Å; Y38-I43 VanDerWaalsContact CG-CD1 3.48Å; Y38-I43 HydrophobicContact CG-CG1 3.9Å; N40-I43 HydrophobicContact CB-CG2 4.46Å; N40-I43 WeakPolarHBondContact O-CG1 3.42Å; K41-I43 PolarHBondContact O-N 3.36Å; I43-L45 PolarHBondContact O-N 2.69Å; I43-R46 WeakPolarHBondContact O-CA 3.5Å; I43-R46 WeakPolarHBondContact O-CB 3.24Å; I43-R46 PolarHBondContact O-N 2.82Å; I43-E47 HydrophobicContact CD1-CG 4.13Å; I43-E47 PolarHBondContact O-N 3.43Å; I43-S140 VanDerWaalsContact CD1-CB 3.42Å; I43-L143 HydrophobicContact CD1-CD1 3.66Å; I43-L143 HydrophobicContact CG1-CD1 3.98Å; I43-E402 VanDerWaalsContact CG2-OE1 3.29Å; I43-E402 WeakPolarHBondContact CG2-OE1 3.33Å
44F94.7Very high90.3Very high0 Ų029.7 Ų29.70%016%0.163CC..Hα-helixtrans-55.7-41.3-179.981.9-84.4000110.8K41 E42 E47 L48 L89 S140 V144 L188 Y197K41-F44 VanDerWaalsContact O-CD1 3.3Å; K41-F44 WeakPolarHBondContact O-CD1 3.31Å; K41-F44 PolarHBondContact O-N 3.15Å; E42-F44 PolarHBondContact O-N 2.89Å; E42-F44 VanDerWaalsContact O-N 3.16Å; F44-E47 PolarHBondContact O-N 3.33Å; F44-L48 HydrophobicContact CD2-CD1 4.06Å; F44-L48 WeakPolarHBondContact O-CB 3.34Å; F44-L48 VanDerWaalsContact O-CG 3.27Å; F44-L48 WeakPolarHBondContact O-CG 3.46Å; F44-L48 PolarHBondContact O-N 3.14Å; F44-L89 HydrophobicContact CE2-CD2 3.95Å; F44-L89 HydrophobicContact CZ-CD2 4.08Å; F44-S140 WeakPolarHBondContact CB-O 3.39Å; F44-V144 HydrophobicContact CB-CG2 4.28Å; F44-V144 HydrophobicContact CD1-CB 4.35Å; F44-V144 HydrophobicContact CD1-CG1 3.72Å; F44-V144 HydrophobicContact CD1-CG2 3.68Å; F44-V144 HydrophobicContact CD2-CG2 3.68Å; F44-V144 HydrophobicContact CE1-CB 4.49Å; F44-V144 HydrophobicContact CE1-CG1 3.98Å; F44-V144 HydrophobicContact CE1-CG2 3.89Å; F44-V144 HydrophobicContact CE2-CG2 3.91Å; F44-V144 HydrophobicContact CG-CG1 4.33Å; F44-V144 HydrophobicContact CG-CG2 3.57Å; F44-V144 HydrophobicContact CZ-CG2 4.01Å; F44-L188 HydrophobicContact CD2-CD1 3.72Å; F44-L188 HydrophobicContact CE2-CD1 3.54Å; F44-Y197 AromaticContact CE1-CD1 3.48Å; F44-Y197 HydrophobicContact CE1-CD1 3.48Å; F44-Y197 VanDerWaalsContact CE1-CD1 3.48Å; F44-Y197 HydrophobicContact CE1-CD2 4.22Å; F44-Y197 AromaticContact CE1-CE1 3.69Å; F44-Y197 HydrophobicContact CE1-CE1 3.69Å; F44-Y197 HydrophobicContact CE1-CE2 4.44Å; F44-Y197 AromaticContact CE1-CG 3.77Å; F44-Y197 HydrophobicContact CE1-CG 3.77Å; F44-Y197 AromaticContact CZ-CD1 3.9Å; F44-Y197 HydrophobicContact CZ-CD1 3.9Å; F44-Y197 AromaticContact CZ-CG 3.96Å; F44-Y197 HydrophobicContact CZ-CG 3.96Å
45L95.6Very high90.9Very high1 Ų129.6 Ų29.61%0.00517%0.165CC..Hα-helixtrans-71-36.3-179.2-171.859.8000111.1E42 I43 I49 L80 I91 I203 I206 V207E42-L45 PolarHBondContact O-N 3.01Å; I43-L45 PolarHBondContact O-N 2.69Å; L45-I49 HydrophobicContact CD1-CD1 3.99Å; L45-I49 HydrophobicContact CD1-CG1 4.21Å; L45-I49 HydrophobicContact CD2-CD1 4.48Å; L45-I49 HydrophobicContact CG-CD1 3.79Å; L45-I49 HydrophobicContact CG-CG1 4.4Å; L45-I49 WeakPolarHBondContact O-CB 3.41Å; L45-I49 VanDerWaalsContact O-CG1 3.25Å; L45-I49 WeakPolarHBondContact O-CG1 3.44Å; L45-I49 PolarHBondContact O-N 3.44Å; L45-L80 HydrophobicContact CD1-CD1 4.48Å; L45-L80 HydrophobicContact CD1-CD2 4.05Å; L45-I91 HydrophobicContact CD1-CG1 4.35Å; L45-I203 HydrophobicContact CD2-CG2 4.2Å; L45-I206 HydrophobicContact CB-CG2 3.97Å; L45-I206 HydrophobicContact CD2-CB 4.19Å; L45-I206 HydrophobicContact CD2-CG2 3.86Å; L45-I206 HydrophobicContact CG-CG2 4.34Å; L45-V207 HydrophobicContact CD2-CG2 3.93Å
46R93.3Very high91.6Very high1 Ų124.3 Ų24.30%0.00414%0.137CC..Hα-helixtrans-59.1-49.7172.2177.7-16775-163.4-0.5110.9I43 S50 H210 V369 S400I43-R46 WeakPolarHBondContact O-CA 3.5Å; I43-R46 WeakPolarHBondContact O-CB 3.24Å; I43-R46 PolarHBondContact O-N 2.82Å; R46-S50 VanDerWaalsContact O-CB 3.27Å; R46-S50 WeakPolarHBondContact O-CB 3.17Å; R46-S50 PolarHBondContact O-N 3.28Å; R46-S50 PolarHBondContact O-OG 2.94Å; R46-H210 HydrophobicContact CB-CB 3.86Å; R46-H210 HydrophobicContact CG-CB 3.91Å; R46-V369 HydrophobicContact CG-CG1 4.14Å; R46-S400 PolarHBondContact NH2-O 2.86Å
47E93.1Very high91.9Very high4 Ų420.5 Ų20.52%0.01911%0.113CC..Hα-helixtrans-64.8-42.2-178.5-65.4-56.8127.200111.5I43 F44 S50 N51 G137 R401I43-E47 HydrophobicContact CD1-CG 4.13Å; I43-E47 PolarHBondContact O-N 3.43Å; F44-E47 PolarHBondContact O-N 3.33Å; E47-S50 PolarHBondContact O-N 3.12Å; E47-N51 WeakPolarHBondContact O-CB 3.31Å; E47-N51 PolarHBondContact O-N 3.5Å; E47-N51 PolarHBondContact O-ND2 2.95Å; E47-G137 WeakPolarHBondContact CB-O 3.27Å; E47-G137 WeakPolarHBondContact OE2-CA 3.33Å; E47-R401 IonicContact OE2-NE 3.62Å
48L95.8Very high92.3Very high5 Ų519 Ų193%0.02611%0.106CC..Hα-helixtrans-67-43.2178.8-68.6175.4000112.6F44 S50 N51 S52 I91 F138 V186 L188F44-L48 HydrophobicContact CD2-CD1 4.06Å; F44-L48 WeakPolarHBondContact O-CB 3.34Å; F44-L48 VanDerWaalsContact O-CG 3.27Å; F44-L48 WeakPolarHBondContact O-CG 3.46Å; F44-L48 PolarHBondContact O-N 3.14Å; L48-S50 VanDerWaalsContact C-N 3.33Å; L48-N51 PolarHBondContact O-N 3.31Å; L48-S52 WeakPolarHBondContact O-CB 3.31Å; L48-S52 PolarHBondContact O-N 2.97Å; L48-S52 PolarHBondContact O-OG 3.32Å; L48-I91 HydrophobicContact CD1-CD1 3.87Å; L48-I91 HydrophobicContact CD1-CG1 4.47Å; L48-F138 HydrophobicContact CD2-CD2 4.25Å; L48-V186 HydrophobicContact CD2-CG1 4.26Å; L48-L188 HydrophobicContact CD1-CD1 3.74Å; L48-L188 HydrophobicContact CD1-CD2 4.13Å; L48-L188 HydrophobicContact CD1-CG 4.35Å
49I95.3Very high92.8Very high0 Ų018.3 Ų18.30%010%0.103CC..Hα-helixtrans-64.8-39.8174.5-68.9171.5000110.5L45 S52 S53 I78 L80 V207 I214 I218L45-I49 HydrophobicContact CD1-CD1 3.99Å; L45-I49 HydrophobicContact CD1-CG1 4.21Å; L45-I49 HydrophobicContact CD2-CD1 4.48Å; L45-I49 HydrophobicContact CG-CD1 3.79Å; L45-I49 HydrophobicContact CG-CG1 4.4Å; L45-I49 WeakPolarHBondContact O-CB 3.41Å; L45-I49 VanDerWaalsContact O-CG1 3.25Å; L45-I49 WeakPolarHBondContact O-CG1 3.44Å; L45-I49 PolarHBondContact O-N 3.44Å; I49-S52 WeakPolarHBondContact O-CB 3.48Å; I49-S52 PolarHBondContact O-N 2.98Å; I49-S53 PolarHBondContact O-N 3.38Å; I49-I78 HydrophobicContact CG2-CD1 4.04Å; I49-L80 HydrophobicContact CD1-CD1 4.4Å; I49-V207 HydrophobicContact CD1-CG2 3.96Å; I49-I214 HydrophobicContact CG2-CG1 4.1Å; I49-I218 HydrophobicContact CD1-CD1 4.46Å; I49-I218 HydrophobicContact CG2-CD1 3.74Å; I49-I218 HydrophobicContact CG2-CG1 4.5Å
50S92.3Very high93.3Very high2 Ų219.6 Ų19.61%0.0149%0.092CC..Hα-helixtrans-62.4-44.9177.1-59.70000111.6R46 E47 L48 S52 S53 D54R46-S50 VanDerWaalsContact O-CB 3.27Å; R46-S50 WeakPolarHBondContact O-CB 3.17Å; R46-S50 PolarHBondContact O-N 3.28Å; R46-S50 PolarHBondContact O-OG 2.94Å; E47-S50 PolarHBondContact O-N 3.12Å; L48-S50 VanDerWaalsContact C-N 3.33Å; S50-S52 VanDerWaalsContact C-N 3.31Å; S50-S52 PolarHBondContact O-N 3.43Å; S50-S53 WeakPolarHBondContact O-CB 3.37Å; S50-S53 PolarHBondContact O-N 3.49Å; S50-D54 PolarHBondContact O-N 2.87Å
51N93.6Very high93.4Very high51 Ų5119.4 Ų19.427%0.2739%0.088SC..Hα-helixtrans-63.1-38.6175.5-68.2-24.2000112E47 L48 D54 A55E47-N51 WeakPolarHBondContact O-CB 3.31Å; E47-N51 PolarHBondContact O-N 3.5Å; E47-N51 PolarHBondContact O-ND2 2.95Å; L48-N51 PolarHBondContact O-N 3.31Å; N51-D54 PolarHBondContact O-N 3.05Å; N51-A55 PolarHBondContact O-N 3.37Å
52S95.7Very high93.3Very high5 Ų518.4 Ų18.44%0.0358%0.084CC..Hα-helixtrans-63.3-43.4175.6-580000111.1L48 I49 S50 A55 L56L48-S52 WeakPolarHBondContact O-CB 3.31Å; L48-S52 PolarHBondContact O-N 2.97Å; L48-S52 PolarHBondContact O-OG 3.32Å; I49-S52 WeakPolarHBondContact O-CB 3.48Å; I49-S52 PolarHBondContact O-N 2.98Å; S50-S52 VanDerWaalsContact C-N 3.31Å; S50-S52 PolarHBondContact O-N 3.43Å; S52-A55 PolarHBondContact O-N 3.28Å; S52-L56 WeakPolarHBondContact O-CG 3.44Å; S52-L56 PolarHBondContact O-N 3.49Å
53S93.5Very high93.2Very high3 Ų318.8 Ų18.82%0.0219%0.088CC..Hα-helixtrans-61.6-45.5174.5-171.60000111.9I49 S50 A55 L56 D57I49-S53 PolarHBondContact O-N 3.38Å; S50-S53 WeakPolarHBondContact O-CB 3.37Å; S50-S53 PolarHBondContact O-N 3.49Å; S53-A55 VanDerWaalsContact C-N 3.25Å; S53-A55 PolarHBondContact O-N 2.92Å; S53-L56 WeakPolarHBondContact O-CB 3.45Å; S53-L56 PolarHBondContact O-N 2.88Å; S53-L56 VanDerWaalsContact O-N 3.13Å; S53-D57 PolarHBondContact O-N 3.24Å
54D92.3Very high93.1Very high1 Ų124.8 Ų24.81%0.00512%0.119CC..Hα-helixtrans-58.6-38.9176.1-76.8-12.8000111.2S50 N51 D57 K58 T115 M130 I131 G132S50-D54 PolarHBondContact O-N 2.87Å; N51-D54 PolarHBondContact O-N 3.05Å; D54-D57 PolarHBondContact O-N 3.03Å; D54-K58 VanDerWaalsContact O-CG 3.32Å; D54-K58 WeakPolarHBondContact O-CG 3.22Å; D54-K58 PolarHBondContact O-N 3.32Å; D54-T115 HydrophobicContact CB-CG2 4.41Å; D54-T115 WeakPolarHBondContact OD2-CG2 3.43Å; D54-T115 PolarHBondContact OD2-OG1 3.33Å; D54-M130 HydrophobicContact CB-CG 4.44Å; D54-M130 WeakPolarHBondContact OD1-CA 3.46Å; D54-I131 PolarHBondContact OD1-N 3.44Å; D54-G132 VanDerWaalsContact OD2-CA 3.25Å; D54-G132 WeakPolarHBondContact OD2-CA 3.2Å; D54-G132 PolarHBondContact OD2-N 3.44Å
55A94.7Very high92.8Very high16 Ų1629.5 Ų29.513%0.13215%0.148CC..Hα-helixtrans-68.1-35.1177.300000112.8N51 S52 S53 I59 G95 I96N51-A55 PolarHBondContact O-N 3.37Å; S52-A55 PolarHBondContact O-N 3.28Å; S53-A55 VanDerWaalsContact C-N 3.25Å; S53-A55 PolarHBondContact O-N 2.92Å; A55-I59 PolarHBondContact O-N 3.21Å; A55-G95 WeakPolarHBondContact O-CA 3.47Å; A55-I96 PolarHBondContact O-N 3.49Å; A55-I96 VanDerWaalsContact O-N 3.08Å
56L94.8Very high92.6Very high0 Ų032.2 Ų32.20%016%0.163CC..Hα-helixtrans-69.3-39.8173.7-67.6167.2000111.5S52 S53 K58 I59 R60 L76 I78 T94 Y216S52-L56 WeakPolarHBondContact O-CG 3.44Å; S52-L56 PolarHBondContact O-N 3.49Å; S53-L56 WeakPolarHBondContact O-CB 3.45Å; S53-L56 PolarHBondContact O-N 2.88Å; S53-L56 VanDerWaalsContact O-N 3.13Å; L56-K58 VanDerWaalsContact C-N 3.35Å; L56-K58 PolarHBondContact O-N 3.28Å; L56-I59 WeakPolarHBondContact O-CG2 3.36Å; L56-I59 PolarHBondContact O-N 2.9Å; L56-R60 VanDerWaalsContact O-CB 3.27Å; L56-R60 WeakPolarHBondContact O-CB 3.29Å; L56-R60 PolarHBondContact O-N 2.92Å; L56-L76 HydrophobicContact CD2-CB 3.95Å; L56-L76 HydrophobicContact CD2-CD2 3.84Å; L56-L76 HydrophobicContact CD2-CG 4.46Å; L56-I78 HydrophobicContact CD1-CD1 4.09Å; L56-I78 HydrophobicContact CD1-CG1 3.65Å; L56-T94 VanDerWaalsContact CD2-C 3.47Å; L56-T94 WeakPolarHBondContact CD2-OG1 3.25Å; L56-Y216 HydrophobicContact CB-CD1 4.1Å; L56-Y216 HydrophobicContact CB-CD2 3.75Å; L56-Y216 HydrophobicContact CB-CE1 3.91Å; L56-Y216 HydrophobicContact CB-CE2 3.55Å; L56-Y216 HydrophobicContact CB-CG 4.03Å; L56-Y216 HydrophobicContact CD1-CD1 4.07Å; L56-Y216 HydrophobicContact CD1-CD2 3.76Å; L56-Y216 HydrophobicContact CD1-CE2 4.45Å; L56-Y216 HydrophobicContact CD1-CG 3.56Å; L56-Y216 HydrophobicContact CG-CD2 4.41Å; L56-Y216 HydrophobicContact CG-CG 4.39Å
57D91.5Very high92.6Very high14 Ų1436.6 Ų36.68%0.07519%0.191CC..Hα-helixtrans-64-38.5174.8-76.7-38.5000112.3S53 D54 R60 Y61 Y216S53-D57 PolarHBondContact O-N 3.24Å; D54-D57 PolarHBondContact O-N 3.03Å; D57-R60 PolarHBondContact O-N 3.42Å; D57-Y61 PolarHBondContact O-N 3.19Å; D57-Y216 WeakPolarHBondContact CA-OH 3.5Å; D57-Y216 WeakPolarHBondContact OD1-CE2 3.24Å; D57-Y216 PolarHBondContact OD1-OH 2.85Å
58K92.2Very high92.7Very high29 Ų2939.3 Ų39.313%0.12621%0.211CC..Hα-helixtrans-60.7-49.9175-73.1174.3-169176.20112.5D54 L56 R60 Y61 E62 I96 T115 F118 M130D54-K58 VanDerWaalsContact O-CG 3.32Å; D54-K58 WeakPolarHBondContact O-CG 3.22Å; D54-K58 PolarHBondContact O-N 3.32Å; L56-K58 VanDerWaalsContact C-N 3.35Å; L56-K58 PolarHBondContact O-N 3.28Å; K58-R60 VanDerWaalsContact C-N 3.33Å; K58-R60 PolarHBondContact O-N 3.12Å; K58-Y61 WeakPolarHBondContact O-CB 3.38Å; K58-Y61 PolarHBondContact O-N 2.87Å; K58-E62 WeakPolarHBondContact O-CG 3.48Å; K58-E62 PolarHBondContact O-N 3.39Å; K58-I96 HydrophobicContact CB-CB 4.27Å; K58-I96 HydrophobicContact CB-CD1 4.22Å; K58-I96 HydrophobicContact CB-CG2 3.99Å; K58-I96 HydrophobicContact CD-CG2 4.16Å; K58-T115 PolarHBondContact NZ-OG1 3.36Å; K58-F118 HydrophobicContact CB-CE1 4.39Å; K58-F118 HydrophobicContact CB-CE2 4.19Å; K58-F118 HydrophobicContact CB-CZ 4.02Å; K58-F118 HydrophobicContact CD-CD2 4.22Å; K58-F118 HydrophobicContact CD-CG 4.25Å; K58-F118 HydrophobicContact CG-CD1 3.95Å; K58-F118 HydrophobicContact CG-CD2 4.01Å; K58-F118 HydrophobicContact CG-CE1 3.88Å; K58-F118 HydrophobicContact CG-CE2 4.01Å; K58-F118 HydrophobicContact CG-CG 3.95Å; K58-F118 HydrophobicContact CG-CZ 3.9Å; K58-M130 HydrophobicContact CG-SD 4.02Å
59I93.7Very high92.6Very high1 Ų141.3 Ų41.31%0.00522%0.219CC..Hα-helixtrans-68.1-36.4179.3-171.567.4000111.5A55 L56 Y61 E62 S63 K69 L70 L76 I96A55-I59 PolarHBondContact O-N 3.21Å; L56-I59 WeakPolarHBondContact O-CG2 3.36Å; L56-I59 PolarHBondContact O-N 2.9Å; I59-Y61 VanDerWaalsContact C-N 3.3Å; I59-Y61 PolarHBondContact O-N 2.75Å; I59-E62 PolarHBondContact O-N 2.68Å; I59-S63 VanDerWaalsContact O-CB 3.31Å; I59-S63 WeakPolarHBondContact O-CB 3.45Å; I59-S63 PolarHBondContact O-N 3.29Å; I59-S63 PolarHBondContact O-OG 3.09Å; I59-K69 HydrophobicContact CD1-CB 4.03Å; I59-L70 HydrophobicContact CG1-CD2 3.84Å; I59-L76 HydrophobicContact CG2-CD2 3.67Å; I59-I96 HydrophobicContact CB-CB 4.03Å; I59-I96 HydrophobicContact CD1-CG1 4.28Å
60R92Very high92.6Very high133 Ų13342.8 Ų42.850%0.50223%0.227SC..Hα-helixtrans-58.2-45.7174-178.6179.6170.6-138.1-5.1110.3L56 D57 K58 S63 L64 L76 Y216L56-R60 VanDerWaalsContact O-CB 3.27Å; L56-R60 WeakPolarHBondContact O-CB 3.29Å; L56-R60 PolarHBondContact O-N 2.92Å; D57-R60 PolarHBondContact O-N 3.42Å; K58-R60 VanDerWaalsContact C-N 3.33Å; K58-R60 PolarHBondContact O-N 3.12Å; R60-S63 PolarHBondContact O-N 2.86Å; R60-S63 PolarHBondContact O-OG 2.91Å; R60-L64 WeakPolarHBondContact O-CG 3.48Å; R60-L64 PolarHBondContact O-N 3.17Å; R60-L76 HydrophobicContact CB-CD1 4.2Å; R60-Y216 VanDerWaalsContact CD-OH 3.24Å; R60-Y216 WeakPolarHBondContact CD-OH 3.33Å
61Y90Very high92.6Very high50 Ų5048.6 Ų48.620%0.19626%0.258CS..Hα-helixtrans-61.7-52.7176.3-175-109.1000113.5D57 K58 I59 S63 L64 F118 L122 A126 I128D57-Y61 PolarHBondContact O-N 3.19Å; K58-Y61 WeakPolarHBondContact O-CB 3.38Å; K58-Y61 PolarHBondContact O-N 2.87Å; I59-Y61 VanDerWaalsContact C-N 3.3Å; I59-Y61 PolarHBondContact O-N 2.75Å; Y61-S63 PolarHBondContact O-N 3.47Å; Y61-L64 HydrophobicContact CD2-CD1 4.4Å; Y61-L64 VanDerWaalsContact O-CB 3.29Å; Y61-L64 WeakPolarHBondContact O-CB 3.36Å; Y61-L64 PolarHBondContact O-N 3.19Å; Y61-F118 HydrophobicContact CD1-CE1 4.1Å; Y61-F118 AromaticContact CD1-CZ 3.71Å; Y61-F118 HydrophobicContact CD1-CZ 3.71Å; Y61-F118 HydrophobicContact CG-CE1 4.43Å; Y61-F118 HydrophobicContact CG-CZ 4.3Å; Y61-L122 HydrophobicContact CD1-CD2 3.59Å; Y61-L122 HydrophobicContact CD2-CD2 4.21Å; Y61-L122 HydrophobicContact CE1-CD2 3.11Å; Y61-L122 HydrophobicContact CE2-CD2 3.77Å; Y61-L122 HydrophobicContact CG-CD2 4.08Å; Y61-L122 WeakPolarHBondContact OH-CD2 3.43Å; Y61-A126 HydrophobicContact CD2-CB 4.21Å; Y61-A126 HydrophobicContact CE2-CB 3.51Å; Y61-I128 HydrophobicContact CD1-CD1 4.31Å; Y61-I128 HydrophobicContact CD2-CD1 3.11Å; Y61-I128 HydrophobicContact CD2-CG1 4.25Å; Y61-I128 HydrophobicContact CE2-CD1 3.94Å; Y61-I128 HydrophobicContact CG-CD1 3.28Å
62E90.2Very high92.5Very high60 Ų6048.2 Ų48.228%0.2826%0.259SS..Hα-helixtrans-54.5-37.6178.2-73.8-76.7157.600110.7K58 I59 L64 T65 D66 K69 I96K58-E62 WeakPolarHBondContact O-CG 3.48Å; K58-E62 PolarHBondContact O-N 3.39Å; I59-E62 PolarHBondContact O-N 2.68Å; E62-L64 VanDerWaalsContact C-N 3.3Å; E62-L64 PolarHBondContact O-N 3.37Å; E62-T65 PolarHBondContact O-N 2.75Å; E62-T65 PolarHBondContact O-OG1 3.04Å; E62-D66 PolarHBondContact O-N 3.17Å; E62-K69 HydrophobicContact CB-CG 4.41Å; E62-I96 HydrophobicContact CG-CD1 4.11Å
63S92.1Very high92.3Very high18 Ų1849.3 Ų49.313%0.12627%0.272CS..Hα-helixtrans-68.8-22.2177.380.20000115.1I59 R60 Y61 T65 D66 P67I59-S63 VanDerWaalsContact O-CB 3.31Å; I59-S63 WeakPolarHBondContact O-CB 3.45Å; I59-S63 PolarHBondContact O-N 3.29Å; I59-S63 PolarHBondContact O-OG 3.09Å; R60-S63 PolarHBondContact O-N 2.86Å; R60-S63 PolarHBondContact O-OG 2.91Å; Y61-S63 PolarHBondContact O-N 3.47Å; S63-T65 VanDerWaalsContact C-N 3.31Å; S63-D66 WeakPolarHBondContact CA-O 3.34Å; S63-D66 CarbonylContact O-C 3.58Å; S63-P67 WeakPolarHBondContact O-CA 3.28Å
64L89.4Confident92.3Very high127 Ų12756.8 Ų56.867%0.66530%0.303SS*.Hα-helixtrans-70.1-33.9173.1-63.7174.7000111R60 Y61 E62R60-L64 WeakPolarHBondContact O-CG 3.48Å; R60-L64 PolarHBondContact O-N 3.17Å; Y61-L64 HydrophobicContact CD2-CD1 4.4Å; Y61-L64 VanDerWaalsContact O-CB 3.29Å; Y61-L64 WeakPolarHBondContact O-CB 3.36Å; Y61-L64 PolarHBondContact O-N 3.19Å; E62-L64 VanDerWaalsContact C-N 3.3Å; E62-L64 PolarHBondContact O-N 3.37Å
65T87.9Confident92.4Very high98 Ų9863.6 Ų63.660%0.60134%0.335SS*.Hα-helixtrans-88.5-34.4177.750.50000112.9E62 S63E62-T65 PolarHBondContact O-N 2.75Å; E62-T65 PolarHBondContact O-OG1 3.04Å; S63-T65 VanDerWaalsContact C-N 3.31Å
66D91.8Very high92.5Very high59 Ų5964.6 Ų64.632%0.31634%0.338SS..  trans-141.492.6-179.6-179.86.1000110.5E62 S63 S68 K69E62-D66 PolarHBondContact O-N 3.17Å; S63-D66 WeakPolarHBondContact CA-O 3.34Å; S63-D66 CarbonylContact O-C 3.58Å; D66-S68 VanDerWaalsContact CG-OG 3.23Å; D66-S68 PolarHBondContact O-N 3.06Å; D66-S68 WeakPolarHBondContact OD1-CB 3.09Å; D66-S68 PolarHBondContact OD1-N 3.44Å; D66-S68 VanDerWaalsContact OD1-N 3.11Å; D66-S68 PolarHBondContact OD1-OG 2.6Å; D66-S68 PolarHBondContact OD2-OG 3.48Å; D66-K69 HydrophobicContact CB-CG 4.02Å; D66-K69 WeakPolarHBondContact O-CB 3.28Å; D66-K69 WeakPolarHBondContact O-CG 3.43Å; D66-K69 PolarHBondContact O-N 2.81Å; D66-K69 VanDerWaalsContact O-N 3.1Å
67P93.7Very high92.5Very high92 Ų9266.2 Ų66.260%0.59735%0.346SS*.G310 helixtrans-57.4-22.2179.6-28.136.1000114.9S63 K69 L70S63-P67 WeakPolarHBondContact O-CA 3.28Å; P67-K69 PolarHBondContact O-N 3.03Å; P67-L70 PolarHBondContact O-N 3.38Å
68S94.5Very high92.8Very high62 Ų6265.6 Ų65.643%0.43434%0.342SS..G310 helixtrans-66.1-19.3178.974.90000112.8D66 L70 D71D66-S68 VanDerWaalsContact CG-OG 3.23Å; D66-S68 PolarHBondContact O-N 3.06Å; D66-S68 WeakPolarHBondContact OD1-CB 3.09Å; D66-S68 PolarHBondContact OD1-N 3.44Å; D66-S68 VanDerWaalsContact OD1-N 3.11Å; D66-S68 PolarHBondContact OD1-OG 2.6Å; D66-S68 PolarHBondContact OD2-OG 3.48Å; S68-L70 PolarHBondContact O-N 2.98Å; S68-L70 VanDerWaalsContact O-N 3.09Å; S68-D71 WeakPolarHBondContact O-CB 3.36Å; S68-D71 PolarHBondContact O-N 2.82Å
69K93.4Very high93.1Very high46 Ų4665.1 Ų65.120%0.234%0.341CS..G310 helixtrans-60-20.6174-64.4-69.2-176.1175.20113I59 E62 D66 P67 N155 D156 R182I59-K69 HydrophobicContact CD1-CB 4.03Å; E62-K69 HydrophobicContact CB-CG 4.41Å; D66-K69 HydrophobicContact CB-CG 4.02Å; D66-K69 WeakPolarHBondContact O-CB 3.28Å; D66-K69 WeakPolarHBondContact O-CG 3.43Å; D66-K69 PolarHBondContact O-N 2.81Å; D66-K69 VanDerWaalsContact O-N 3.1Å; P67-K69 PolarHBondContact O-N 3.03Å; K69-N155 PolarHBondContact O-ND2 3.11Å; K69-D156 IonicContact NZ-OD1 2.64Å; K69-D156 IonicContact NZ-OD2 3.51Å; K69-R182 PolarHBondContact O-NH1 3.47Å
70L94.4Very high93.3Very high32 Ų3265.1 Ų65.117%0.16834%0.341CS..G310 helixtrans-91.7-1.2176.6-65.1178.6000114.6I59 P67 S68 S72 G73 K74 L76I59-L70 HydrophobicContact CG1-CD2 3.84Å; P67-L70 PolarHBondContact O-N 3.38Å; S68-L70 PolarHBondContact O-N 2.98Å; S68-L70 VanDerWaalsContact O-N 3.09Å; L70-S72 PolarHBondContact O-N 3.46Å; L70-G73 CarbonylContact O-C 3.55Å; L70-G73 PolarHBondContact O-N 3.25Å; L70-K74 HydrophobicContact CB-CG 4.31Å; L70-K74 PolarHBondContact O-N 2.91Å; L70-L76 HydrophobicContact CD2-CD2 4.49Å
71D92.9Very high93.6Very high123 Ų12361.4 Ų61.466%0.65833%0.331SS*.THydrogen-bonded Turntrans-64.9-26-178.7-71.8-20.2000112.7S68 G73S68-D71 WeakPolarHBondContact O-CB 3.36Å; S68-D71 PolarHBondContact O-N 2.82Å; D71-G73 VanDerWaalsContact C-N 3.25Å; D71-G73 PolarHBondContact O-N 2.96Å
72S92.1Very high93.9Very high44 Ų4460.6 Ų60.631%0.30833%0.332SS..THydrogen-bonded Turntrans-76.3-6.7172.955.70000114.5L70 N155 R182L70-S72 PolarHBondContact O-N 3.46Å; S72-N155 WeakPolarHBondContact CB-OD1 3.36Å; S72-N155 PolarHBondContact OG-OD1 2.96Å; S72-R182 PolarHBondContact OG-NH1 3.01Å
73G91.4Very high94.1Very high28 Ų2859.9 Ų59.929%0.28933%0.33SS..  trans161.1116.1178.900000111.7L70 D71 R182L70-G73 CarbonylContact O-C 3.55Å; L70-G73 PolarHBondContact O-N 3.25Å; D71-G73 VanDerWaalsContact C-N 3.25Å; D71-G73 PolarHBondContact O-N 2.96Å; G73-R182 VanDerWaalsContact O-CZ 3.23Å; G73-R182 PolarHBondContact O-NH1 2.74Å; G73-R182 PolarHBondContact O-NH2 3.38Å
74K93.5Very high94.1Very high159 Ų15966 Ų6669%0.69135%0.354SS*.  trans-87-24-177.7-65.9-174.4179.2-178.20113.9L70L70-K74 HydrophobicContact CB-CG 4.31Å; L70-K74 PolarHBondContact O-N 2.91Å
75E94.2Very high94.2Very high144 Ų14468.5 Ų68.567%0.67336%0.362SS*.  trans-75.9137.1-179.8-63.2-177.7178.300110.5H77 T94E75-H77 IonicContact OE2-CE1 3.1Å; E75-H77 IonicContact OE2-ND1 2.77Å; E75-T94 PolarHBondContact O-OG1 2.87Å
76L96.2Very high94.5Very high37 Ų3769 Ų6919%0.19436%0.361CS..  trans-122.4105.2179.3-62.2-177.4000108.5L56 I59 R60 L70 T94 Y216 P217L56-L76 HydrophobicContact CD2-CB 3.95Å; L56-L76 HydrophobicContact CD2-CD2 3.84Å; L56-L76 HydrophobicContact CD2-CG 4.46Å; I59-L76 HydrophobicContact CG2-CD2 3.67Å; R60-L76 HydrophobicContact CB-CD1 4.2Å; L70-L76 HydrophobicContact CD2-CD2 4.49Å; L76-T94 WeakPolarHBondContact CA-OG1 3.46Å; L76-Y216 HydrophobicContact CB-CD1 3.84Å; L76-Y216 HydrophobicContact CB-CE1 3.97Å; L76-Y216 HydrophobicContact CD1-CE1 3.94Å; L76-P217 WeakPolarHBondContact O-CD 3.17Å
77H96.6Very high94.7Very high35 Ų3571.2 Ų71.216%0.16237%0.365CS..  trans-156.4167.5-174.363.3-105.7000111.9E75 N79 T94 P217E75-H77 IonicContact OE2-CE1 3.1Å; E75-H77 IonicContact OE2-ND1 2.77Å; H77-N79 VanDerWaalsContact CD2-CG 3.43Å; H77-N79 PolarHBondContact CD2-ND2 3.49Å; H77-N79 VanDerWaalsContact CD2-ND2 3.28Å; H77-N79 PolarHBondContact CD2-OD1 3.23Å; H77-N79 PolarHBondContact NE2-ND2 3.27Å; H77-T94 PolarHBondContact N-OG1 3.31Å; H77-T94 PolarHBondContact O-N 2.73Å; H77-T94 PolarHBondContact O-OG1 3.02Å; H77-P217 HydrophobicContact CB-CB 4.42Å
78I97.8Very high94.8Very high0 Ų067.2 Ų67.20%034%0.339CS..EExtended strand (participates in β ladder)trans-124.8125.5175.2-54.1169.6000108.4I49 L56 I91 V92 P217 I218 T219I49-I78 HydrophobicContact CG2-CD1 4.04Å; L56-I78 HydrophobicContact CD1-CD1 4.09Å; L56-I78 HydrophobicContact CD1-CG1 3.65Å; I78-I91 HydrophobicContact CG2-CG2 4.01Å; I78-V92 CarbonylContact C-O 3.57Å; I78-V92 WeakPolarHBondContact CA-O 3.36Å; I78-P217 PolarHBondContact N-O 2.87Å; I78-I218 HydrophobicContact CB-CG1 4.4Å; I78-I218 HydrophobicContact CD1-CG1 4.37Å; I78-I218 CarbonylContact O-C 3.51Å; I78-I218 VanDerWaalsContact O-CA 3.31Å; I78-I218 WeakPolarHBondContact O-CA 3.43Å; I78-T219 PolarHBondContact O-N 3.4Å
79N97.7Very high95Very high20 Ų2064.3 Ų64.311%0.10732%0.319CS..EExtended strand (participates in β ladder)trans-111.1133.9178.2-59.6-23.7000110.7H77 I91 V92 T219 F221H77-N79 VanDerWaalsContact CD2-CG 3.43Å; H77-N79 PolarHBondContact CD2-ND2 3.49Å; H77-N79 VanDerWaalsContact CD2-ND2 3.28Å; H77-N79 PolarHBondContact CD2-OD1 3.23Å; H77-N79 PolarHBondContact NE2-ND2 3.27Å; N79-I91 WeakPolarHBondContact O-CA 3.38Å; N79-V92 HydrophobicContact CB-CB 4.27Å; N79-V92 PolarHBondContact N-O 2.97Å; N79-V92 PolarHBondContact O-N 3.28Å; N79-T219 PolarHBondContact OD1-OG1 3.37Å; N79-F221 HydrophobicContact CB-CD2 4.26Å; N79-F221 HydrophobicContact CB-CE2 3.67Å; N79-F221 HydrophobicContact CB-CZ 4.41Å
80L97.8Very high95.2Very high1 Ų162.7 Ų62.71%0.00531%0.313CS..EExtended strand (participates in β ladder)trans-108118.9174.7-55-179.4000108.5L45 I49 I91 I203 V207 I218 T219 L220 F221 L291L45-L80 HydrophobicContact CD1-CD1 4.48Å; L45-L80 HydrophobicContact CD1-CD2 4.05Å; I49-L80 HydrophobicContact CD1-CD1 4.4Å; L80-I91 HydrophobicContact CD2-CB 4.32Å; L80-I91 HydrophobicContact CD2-CG1 3.79Å; L80-I91 HydrophobicContact CD2-CG2 4.01Å; L80-I203 HydrophobicContact CD1-CG2 3.78Å; L80-V207 HydrophobicContact CD1-CG2 3.76Å; L80-I218 HydrophobicContact CD1-CG2 3.94Å; L80-I218 HydrophobicContact CG-CG2 4.19Å; L80-T219 PolarHBondContact N-O 3.11Å; L80-L220 HydrophobicContact CB-CD1 3.88Å; L80-F221 PolarHBondContact O-N 2.9Å; L80-L291 HydrophobicContact CD1-CD1 4.34Å
81I97.1Very high95.4Very high55 Ų5561.2 Ų61.228%0.28231%0.305SS..EExtended strand (participates in β ladder)trans-124.892.9-173.9-49.6173.1000108.4T90 V92 F221I81-T90 PolarHBondContact N-O 2.65Å; I81-T90 PolarHBondContact O-N 3.5Å; I81-V92 HydrophobicContact CD1-CG2 3.99Å; I81-F221 HydrophobicContact CD1-CD1 4.46Å; I81-F221 HydrophobicContact CG1-CB 4.2Å; I81-F221 HydrophobicContact CG1-CD1 4.21Å; I81-F221 HydrophobicContact CG1-CD2 4.01Å; I81-F221 HydrophobicContact CG1-CE2 4.49Å; I81-F221 HydrophobicContact CG1-CG 3.89Å; I81-F221 HydrophobicContact CG2-CB 4.37Å
82P96.3Very high95.6Very high32 Ų3256.7 Ų56.721%0.20828%0.282CS..EExtended strand (participates in β ladder)trans-73.8135171.929.8-32.3000110.4L89 L198 I203 L220 F221P82-L89 HydrophobicContact CB-CD1 4.12Å; P82-L198 HydrophobicContact CB-CD2 4.11Å; P82-I203 HydrophobicContact CB-CD1 4.06Å; P82-I203 HydrophobicContact CG-CD1 4.12Å; P82-L220 HydrophobicContact CG-CD1 4.15Å; P82-F221 WeakPolarHBondContact CD-O 3.48Å
83N94.6Very high95.9Very high45 Ų4555 Ų5524%0.24127%0.269CS..EExtended strand (participates in β ladder)trans-125.4104.4174.1176.3-6.4000109Q85 D86 R87 T88N83-Q85 WeakPolarHBondContact OD1-CB 3.31Å; N83-Q85 PolarHBondContact OD1-N 3.45Å; N83-D86 PolarHBondContact ND2-OD2 2.97Å; N83-D86 PolarHBondContact OD1-N 2.99Å; N83-R87 WeakPolarHBondContact O-CA 3.33Å; N83-R87 PolarHBondContact O-N 3.4Å; N83-T88 PolarHBondContact N-O 2.9Å; N83-T88 PolarHBondContact O-N 2.65Å
84K92.2Very high96.2Very high148 Ų14854.8 Ų54.864%0.64326%0.262SS*.THydrogen-bonded Turntrans-71.7-29.3-179.2-68.5-177.1179.5179.80113.3L198K84-L198 WeakPolarHBondContact CE-O 3.38Å; K84-L198 HydrophobicContact CG-CB 4.08Å; K84-L198 HydrophobicContact CG-CD1 4.49Å
85Q91.7Very high96.4Very high178 Ų17847.2 Ų47.283%0.83223%0.229SC*.THydrogen-bonded Turntrans-66.3-48.1-178.4-64.7176.5-19.100110.6N83N83-Q85 WeakPolarHBondContact OD1-CB 3.31Å; N83-Q85 PolarHBondContact OD1-N 3.45Å
86D93.9Very high96.4Very high108 Ų10841.6 Ų41.658%0.57820%0.204SC*.THydrogen-bonded Turntrans-91.61.5-178.8-62.2-39.5000113.6N83 T88N83-D86 PolarHBondContact ND2-OD2 2.97Å; N83-D86 PolarHBondContact OD1-N 2.99Å; D86-T88 HydrophobicContact CB-CG2 4.15Å; D86-T88 PolarHBondContact O-N 2.8Å
87R96.1Very high96.4Very high106 Ų10640.2 Ų40.240%0.420%0.198SC..THydrogen-bonded Turntrans5045.3-169.9-56.6-172.9-60.6-103.64.9112.6N83 L190 L198N83-R87 WeakPolarHBondContact O-CA 3.33Å; N83-R87 PolarHBondContact O-N 3.4Å; R87-L190 WeakPolarHBondContact O-CB 3.33Å; R87-L190 PolarHBondContact O-N 2.97Å; R87-L198 HydrophobicContact CB-CD1 4.48Å
88T97.6Very high96.5Very high8 Ų840.4 Ų40.45%0.04920%0.2CC..EExtended strand (participates in β ladder)trans-118.2144.1-179.454.50000112.3N83 D86 I187 L188 H189 L198N83-T88 PolarHBondContact N-O 2.9Å; N83-T88 PolarHBondContact O-N 2.65Å; D86-T88 HydrophobicContact CB-CG2 4.15Å; D86-T88 PolarHBondContact O-N 2.8Å; T88-I187 HydrophobicContact CG2-CG2 4.04Å; T88-L188 CarbonylContact C-O 3.55Å; T88-L188 WeakPolarHBondContact CA-O 3.41Å; T88-H189 HydrophobicContact CG2-CB 4.49Å; T88-H189 WeakPolarHBondContact CG2-ND1 3.35Å; T88-L198 VanDerWaalsContact O-CD2 3.23Å; T88-L198 WeakPolarHBondContact O-CD2 3.29Å
89L97.8Very high96.4Very high1 Ų141.6 Ų41.61%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-114.1122166.4178.161.5000108.3F44 P82 I91 L188 L190 L198 I203F44-L89 HydrophobicContact CE2-CD2 3.95Å; F44-L89 HydrophobicContact CZ-CD2 4.08Å; P82-L89 HydrophobicContact CB-CD1 4.12Å; L89-I91 HydrophobicContact CD2-CD1 4.41Å; L89-I91 HydrophobicContact CG-CD1 4.09Å; L89-L188 HydrophobicContact CB-CB 4.38Å; L89-L188 HydrophobicContact CB-CD1 4.48Å; L89-L188 HydrophobicContact CD2-CD1 4.41Å; L89-L188 PolarHBondContact N-O 3.05Å; L89-L188 WeakPolarHBondContact O-CB 3.31Å; L89-L188 PolarHBondContact O-N 2.97Å; L89-L190 HydrophobicContact CB-CD1 4.37Å; L89-L198 HydrophobicContact CB-CD2 4.13Å; L89-I203 HydrophobicContact CD1-CD1 4.25Å
90T98Very high96.4Very high13 Ų1345 Ų458%0.0822%0.221CC..EExtended strand (participates in β ladder)trans-105.9127179.4-61.50000110.2I81 V92 K185 V186 I187I81-T90 PolarHBondContact N-O 2.65Å; I81-T90 PolarHBondContact O-N 3.5Å; T90-V92 HydrophobicContact CG2-CG2 3.78Å; T90-K185 HydrophobicContact CG2-CD 4.1Å; T90-K185 VanDerWaalsContact CG2-CE 3.48Å; T90-K185 HydrophobicContact CG2-CG 3.57Å; T90-V186 CarbonylContact C-O 3.56Å; T90-V186 WeakPolarHBondContact CA-O 3.25Å; T90-I187 HydrophobicContact CG2-CG1 4.35Å
91I98.2Very high96.2Very high1 Ų147.3 Ų47.31%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-109.4120.6172.3-57.382.9000107.2L45 L48 I78 N79 L80 L89 K185 V186 L188L45-I91 HydrophobicContact CD1-CG1 4.35Å; L48-I91 HydrophobicContact CD1-CD1 3.87Å; L48-I91 HydrophobicContact CD1-CG1 4.47Å; I78-I91 HydrophobicContact CG2-CG2 4.01Å; N79-I91 WeakPolarHBondContact O-CA 3.38Å; L80-I91 HydrophobicContact CD2-CB 4.32Å; L80-I91 HydrophobicContact CD2-CG1 3.79Å; L80-I91 HydrophobicContact CD2-CG2 4.01Å; L89-I91 HydrophobicContact CD2-CD1 4.41Å; L89-I91 HydrophobicContact CG-CD1 4.09Å; I91-K185 CarbonylContact O-C 3.46Å; I91-K185 WeakPolarHBondContact O-CA 3.32Å; I91-V186 HydrophobicContact CB-CB 4.43Å; I91-V186 PolarHBondContact N-O 3.35Å; I91-V186 PolarHBondContact O-N 3.33Å; I91-L188 HydrophobicContact CD1-CD1 3.76Å; I91-L188 HydrophobicContact CD1-CG 4.01Å
92V98Very high96.1Very high27 Ų2747 Ų4716%0.16424%0.239CC..EExtended strand (participates in β ladder)trans-114.1118.9179.3-171.80000109I78 N79 I81 T90 T184 K185I78-V92 CarbonylContact C-O 3.57Å; I78-V92 WeakPolarHBondContact CA-O 3.36Å; N79-V92 HydrophobicContact CB-CB 4.27Å; N79-V92 PolarHBondContact N-O 2.97Å; N79-V92 PolarHBondContact O-N 3.28Å; I81-V92 HydrophobicContact CD1-CG2 3.99Å; T90-V92 HydrophobicContact CG2-CG2 3.78Å; V92-T184 WeakPolarHBondContact CA-O 3.37Å; V92-K185 HydrophobicContact CG2-CG 4.2Å
93D97.8Very high96Very high8 Ų845.5 Ų45.54%0.04323%0.229CC..EExtended strand (participates in β ladder)trans-108.6145.3169.677.784.8000111.1G95 G183 T184D93-G95 VanDerWaalsContact C-N 3.29Å; D93-G95 WeakPolarHBondContact OD1-CA 3.18Å; D93-G95 PolarHBondContact OD1-N 3.48Å; D93-G183 WeakPolarHBondContact O-CA 3.44Å; D93-T184 PolarHBondContact N-O 3.41Å; D93-T184 PolarHBondContact O-N 3.35Å; D93-T184 VanDerWaalsContact OD2-CB 3.25Å; D93-T184 WeakPolarHBondContact OD2-CB 3.44Å
94T97.6Very high95.9Very high24 Ų2446.8 Ų46.815%0.14724%0.236CC..  trans-97.526175.946.40000112L56 E75 L76 H77 R182L56-T94 VanDerWaalsContact CD2-C 3.47Å; L56-T94 WeakPolarHBondContact CD2-OG1 3.25Å; E75-T94 PolarHBondContact O-OG1 2.87Å; L76-T94 WeakPolarHBondContact CA-OG1 3.46Å; H77-T94 PolarHBondContact N-OG1 3.31Å; H77-T94 PolarHBondContact O-N 2.73Å; H77-T94 PolarHBondContact O-OG1 3.02Å; T94-R182 PolarHBondContact O-NE 2.66Å; T94-R182 PolarHBondContact O-NH2 3.19Å
95G96.5Very high95.8Very high0 Ų043.3 Ų43.30%022%0.224CC..SBendtrans-70.2-162.1-177.900000113.4A55 D93 G97 R182 G183A55-G95 WeakPolarHBondContact O-CA 3.47Å; D93-G95 VanDerWaalsContact C-N 3.29Å; D93-G95 WeakPolarHBondContact OD1-CA 3.18Å; D93-G95 PolarHBondContact OD1-N 3.48Å; G95-G97 VanDerWaalsContact C-N 3.3Å; G95-G97 PolarHBondContact O-N 2.99Å; G95-R182 VanDerWaalsContact O-CD 3.31Å; G95-R182 WeakPolarHBondContact O-CD 3.44Å; G95-R182 VanDerWaalsContact O-CG 3.25Å; G95-R182 WeakPolarHBondContact O-CG 3.49Å; G95-R182 PolarHBondContact O-NE 3Å; G95-G183 WeakPolarHBondContact O-CA 2.9Å; G95-G183 PolarHBondContact O-N 3.39Å
96I95.8Very high95.8Very high26 Ų2636.5 Ų36.513%0.13319%0.194CC..  trans-67.9-26.3-176.5-164.3168.5000113.9A55 K58 I59 E62 H154A55-I96 PolarHBondContact O-N 3.49Å; A55-I96 VanDerWaalsContact O-N 3.08Å; K58-I96 HydrophobicContact CB-CB 4.27Å; K58-I96 HydrophobicContact CB-CD1 4.22Å; K58-I96 HydrophobicContact CB-CG2 3.99Å; K58-I96 HydrophobicContact CD-CG2 4.16Å; I59-I96 HydrophobicContact CB-CB 4.03Å; I59-I96 HydrophobicContact CD1-CG1 4.28Å; E62-I96 HydrophobicContact CG-CD1 4.11Å; I96-H154 PolarHBondContact O-CD2 3.32Å
97G96.3Very high95.5Very high8 Ų832.3 Ų32.38%0.08217%0.171CC..  trans78.2-175.4-172.400000113.1G95G95-G97 VanDerWaalsContact C-N 3.3Å; G95-G97 PolarHBondContact O-N 2.99Å
98M97.1Very high94.8Very high39 Ų3928.4 Ų28.419%0.19216%0.164CC..  trans-132.7140.5179.9-73.6176.5-72.800110.4D102 L103 V150 T152 T184M98-D102 HydrophobicContact CB-CB 3.81Å; M98-D102 HydrophobicContact CG-CB 4.06Å; M98-L103 HydrophobicContact CB-CD2 4.36Å; M98-L103 HydrophobicContact CB-CG 4.33Å; M98-L103 HydrophobicContact CE-CD2 3.84Å; M98-L103 HydrophobicContact SD-CD2 4.19Å; M98-V150 HydrophobicContact CE-CG1 4.04Å; M98-T152 HydrophobicContact CB-CG2 3.95Å; M98-T152 PolarHBondContact N-OG1 3.26Å; M98-T152 WeakPolarHBondContact O-CG2 3.15Å; M98-T184 HydrophobicContact CE-CG2 4.12Å
99T96.7Very high94.1Very high25 Ų2530.6 Ų30.615%0.15318%0.177CC..  trans-74.1168.5169.366.90000110.6A101 D102 L103 H154 D157T99-A101 PolarHBondContact O-N 2.73Å; T99-A101 PolarHBondContact OG1-N 3.16Å; T99-D102 WeakPolarHBondContact CB-OD2 3.32Å; T99-D102 PolarHBondContact N-OD2 3.31Å; T99-D102 PolarHBondContact O-N 3.28Å; T99-D102 VanDerWaalsContact O-N 3.08Å; T99-D102 VanDerWaalsContact OG1-CG 3.26Å; T99-D102 PolarHBondContact OG1-N 3.11Å; T99-D102 VanDerWaalsContact OG1-N 3.12Å; T99-D102 PolarHBondContact OG1-OD2 3.34Å; T99-L103 PolarHBondContact O-N 2.94Å; T99-H154 HydrophobicContact CG2-CB 4.01Å; T99-D157 WeakPolarHBondContact CB-OD2 3.25Å; T99-D157 HydrophobicContact CG2-CB 4.01Å
100K96.6Very high93.5Very high92 Ų9232.2 Ų32.240%0.419%0.185SC..Hα-helixtrans-55.1-38.6171.1-174179.1-176.61730111.9I104 D157 Y160 V172K100-I104 HydrophobicContact CG-CD1 4.31Å; K100-I104 WeakPolarHBondContact O-CG1 3.25Å; K100-I104 PolarHBondContact O-N 3.21Å; K100-D157 PolarHBondContact N-OD2 3.29Å; K100-Y160 HydrophobicContact CB-CD1 4.43Å; K100-Y160 HydrophobicContact CB-CD2 4.09Å; K100-Y160 HydrophobicContact CB-CE1 4.11Å; K100-Y160 HydrophobicContact CB-CE2 3.75Å; K100-Y160 HydrophobicContact CB-CG 4.4Å; K100-Y160 HydrophobicContact CD-CD1 4.37Å; K100-Y160 HydrophobicContact CD-CE1 3.77Å; K100-Y160 HydrophobicContact CG-CD1 4.38Å; K100-Y160 HydrophobicContact CG-CE1 4.16Å; K100-V172 HydrophobicContact CG-CG1 4.27Å
101A95.2Very high92.8Very high50 Ų5035.1 Ų35.141%0.41321%0.211SC..Hα-helixtrans-66.3-40.3177.500000111.5T99 I104 N105T99-A101 PolarHBondContact O-N 2.73Å; T99-A101 PolarHBondContact OG1-N 3.16Å; A101-I104 PolarHBondContact O-N 2.92Å; A101-N105 WeakPolarHBondContact O-CB 3.28Å; A101-N105 VanDerWaalsContact O-CG 3.27Å; A101-N105 PolarHBondContact O-N 3.45Å; A101-N105 PolarHBondContact O-ND2 3.18Å; A101-N105 VanDerWaalsContact O-ND2 3.08Å
102D94.1Very high92.2Very high48 Ų4839.4 Ų39.426%0.25723%0.229SC..Hα-helixtrans-66-39.8177.2-66.3-53.4000112.5M98 T99 I104 N105 N106 L107M98-D102 HydrophobicContact CB-CB 3.81Å; M98-D102 HydrophobicContact CG-CB 4.06Å; T99-D102 WeakPolarHBondContact CB-OD2 3.32Å; T99-D102 PolarHBondContact N-OD2 3.31Å; T99-D102 PolarHBondContact O-N 3.28Å; T99-D102 VanDerWaalsContact O-N 3.08Å; T99-D102 VanDerWaalsContact OG1-CG 3.26Å; T99-D102 PolarHBondContact OG1-N 3.11Å; T99-D102 VanDerWaalsContact OG1-N 3.12Å; T99-D102 PolarHBondContact OG1-OD2 3.34Å; D102-I104 VanDerWaalsContact C-N 3.29Å; D102-I104 PolarHBondContact O-N 3.13Å; D102-N105 PolarHBondContact O-N 3.47Å; D102-N106 WeakPolarHBondContact O-CA 3.46Å; D102-N106 VanDerWaalsContact O-CB 3.25Å; D102-N106 WeakPolarHBondContact O-CB 3.45Å; D102-N106 PolarHBondContact O-N 2.9Å; D102-N106 PolarHBondContact OD1-ND2 2.83Å; D102-L107 PolarHBondContact O-N 2.59Å
103L93.7Very high91.5Very high0 Ų039 Ų390%023%0.228CC..Iπ-helixtrans-57.5-44.1174.4-74.4174.8000111.5M98 T99 L107 G108 V150 T152 W162 V172M98-L103 HydrophobicContact CB-CD2 4.36Å; M98-L103 HydrophobicContact CB-CG 4.33Å; M98-L103 HydrophobicContact CE-CD2 3.84Å; M98-L103 HydrophobicContact SD-CD2 4.19Å; T99-L103 PolarHBondContact O-N 2.94Å; L103-L107 HydrophobicContact CD2-CD2 3.95Å; L103-L107 WeakPolarHBondContact O-CB 3.2Å; L103-G108 PolarHBondContact O-N 2.86Å; L103-V150 HydrophobicContact CD2-CG1 4.45Å; L103-T152 HydrophobicContact CD1-CG2 3.76Å; L103-T152 HydrophobicContact CD2-CG2 3.89Å; L103-T152 HydrophobicContact CG-CG2 3.96Å; L103-W162 HydrophobicContact CD1-CB 4.23Å; L103-W162 HydrophobicContact CD2-CB 3.95Å; L103-W162 HydrophobicContact CD2-CG 4.43Å; L103-V172 HydrophobicContact CD1-CG1 4.15Å
104I92.6Very high90.8Very high72 Ų7239.6 Ų39.637%0.36924%0.235SC..Iπ-helixtrans-72.7-47.1-180-63.5166.9000110.7K100 A101 D102 G108 F170 V172K100-I104 HydrophobicContact CG-CD1 4.31Å; K100-I104 WeakPolarHBondContact O-CG1 3.25Å; K100-I104 PolarHBondContact O-N 3.21Å; A101-I104 PolarHBondContact O-N 2.92Å; D102-I104 VanDerWaalsContact C-N 3.29Å; D102-I104 PolarHBondContact O-N 3.13Å; I104-G108 WeakPolarHBondContact O-CA 3.13Å; I104-F170 HydrophobicContact CG1-CE2 4.47Å; I104-V172 HydrophobicContact CG1-CG2 4.35Å
105N91.1Very high90.1Very high76 Ų7639 Ų3941%0.40623%0.231SC..Iπ-helixtrans-88.6-24.6-166.8-69.9-39000114.7A101 D102 T109 K112A101-N105 WeakPolarHBondContact O-CB 3.28Å; A101-N105 VanDerWaalsContact O-CG 3.27Å; A101-N105 PolarHBondContact O-N 3.45Å; A101-N105 PolarHBondContact O-ND2 3.18Å; A101-N105 VanDerWaalsContact O-ND2 3.08Å; D102-N105 PolarHBondContact O-N 3.47Å; N105-T109 WeakPolarHBondContact O-CB 3.46Å; N105-T109 PolarHBondContact O-OG1 2.92Å; N105-K112 WeakPolarHBondContact O-CD 3.47Å; N105-K112 WeakPolarHBondContact O-CE 3.38Å; N105-K112 PolarHBondContact O-NZ 3.12Å
106N90.2Very high89.5Confident35 Ų3544.3 Ų44.319%0.18726%0.255CS..Iπ-helixtrans-107.7-57.7-179.6-57.1-34.4000109.9D102 T109D102-N106 WeakPolarHBondContact O-CA 3.46Å; D102-N106 VanDerWaalsContact O-CB 3.25Å; D102-N106 WeakPolarHBondContact O-CB 3.45Å; D102-N106 PolarHBondContact O-N 2.9Å; D102-N106 PolarHBondContact OD1-ND2 2.83Å; N106-T109 PolarHBondContact O-N 3.11Å
107L88Confident88.9Confident19 Ų1945.8 Ų45.810%0.09927%0.271CS..Iπ-helixtrans-71.1-35.2-176.9-162.469.6000112.5D102 L103 T109 F138 Y139 V150 W162D102-L107 PolarHBondContact O-N 2.59Å; L103-L107 HydrophobicContact CD2-CD2 3.95Å; L103-L107 WeakPolarHBondContact O-CB 3.2Å; L107-T109 VanDerWaalsContact C-N 3.31Å; L107-T109 PolarHBondContact O-N 3.43Å; L107-F138 HydrophobicContact CD1-CB 4.2Å; L107-F138 HydrophobicContact CD1-CD1 3.35Å; L107-F138 HydrophobicContact CD1-CD2 3.68Å; L107-F138 HydrophobicContact CD1-CE1 3.49Å; L107-F138 VanDerWaalsContact CD1-CE1 3.49Å; L107-F138 HydrophobicContact CD1-CE2 3.82Å; L107-F138 HydrophobicContact CD1-CG 3.45Å; L107-F138 VanDerWaalsContact CD1-CG 3.45Å; L107-F138 HydrophobicContact CD1-CZ 3.72Å; L107-F138 HydrophobicContact CD2-CE1 4.15Å; L107-F138 HydrophobicContact CD2-CZ 3.99Å; L107-F138 HydrophobicContact CG-CD1 4.03Å; L107-F138 HydrophobicContact CG-CE1 3.75Å; L107-F138 HydrophobicContact CG-CZ 4.06Å; L107-Y139 PolarHBondContact O-OH 3.4Å; L107-V150 HydrophobicContact CD2-CB 4.21Å; L107-V150 HydrophobicContact CD2-CG1 4.24Å; L107-V150 HydrophobicContact CD2-CG2 4.03Å; L107-W162 HydrophobicContact CD2-CD2 3.71Å; L107-W162 HydrophobicContact CD2-CE3 4.02Å; L107-W162 HydrophobicContact CD2-CG 3.96Å; L107-W162 HydrophobicContact CD2-CZ2 4.4Å; L107-W162 HydrophobicContact CD2-CZ3 4.48Å
108G81.9Confident88.3Confident24 Ų2446.9 Ų46.925%0.24727%0.273CS..THydrogen-bonded Turntrans-79.7-3.4177.600000115.5L103 I104L103-G108 PolarHBondContact O-N 2.86Å; I104-G108 WeakPolarHBondContact O-CA 3.13Å
109T84.1Confident87.4Confident55 Ų5547.9 Ų47.934%0.33728%0.278SS..SBendtrans-120.7115.9-174.8-57.10000111.2N105 N106 L107 K112N105-T109 WeakPolarHBondContact O-CB 3.46Å; N105-T109 PolarHBondContact O-OG1 2.92Å; N106-T109 PolarHBondContact O-N 3.11Å; L107-T109 VanDerWaalsContact C-N 3.31Å; L107-T109 PolarHBondContact O-N 3.43Å; T109-K112 HydrophobicContact CG2-CB 3.78Å; T109-K112 HydrophobicContact CG2-CD 4.03Å; T109-K112 PolarHBondContact O-N 3.01Å
110I84.3Confident86.7Confident34 Ų3452.3 Ų52.317%0.17430%0.297CS..THydrogen-bonded Turntrans-63.4140.4176.4-59.9172.2000110.3I26 L29 M30 I33 K112 V136 Y139I26-I110 HydrophobicContact CG2-CD1 3.99Å; L29-I110 HydrophobicContact CB-CD1 4.44Å; L29-I110 HydrophobicContact CD2-CB 4.38Å; L29-I110 HydrophobicContact CD2-CD1 3.9Å; L29-I110 HydrophobicContact CD2-CG2 3.83Å; L29-I110 HydrophobicContact CG-CD1 4.07Å; L29-I110 HydrophobicContact CG-CG2 4.34Å; M30-I110 HydrophobicContact CG-CD1 3.78Å; M30-I110 HydrophobicContact SD-CD1 3.57Å; M30-I110 VanDerWaalsContact SD-CD1 3.57Å; M30-I110 HydrophobicContact SD-CG1 4.02Å; I33-I110 HydrophobicContact CD1-CD1 4.32Å; I33-I110 HydrophobicContact CD1-CG2 3.57Å; I110-K112 PolarHBondContact O-N 3.47Å; I110-V136 HydrophobicContact CG2-CG1 4.32Å; I110-Y139 HydrophobicContact CB-CE2 4.36Å; I110-Y139 HydrophobicContact CG1-CE2 3.84Å
111A82.6Confident85.9Confident74 Ų7451.8 Ų51.861%0.61231%0.31SS*.THydrogen-bonded Turntrans63.724.3178.800000114.3G135A111-G135 PolarHBondContact N-O 3.25Å; A111-G135 VanDerWaalsContact N-O 3.09Å
112K85.3Confident85Confident92 Ų9250.3 Ų50.340%0.430%0.295SS..  trans-118.6130.1171.1-172.4161.2165.3-162.10110.1N105 T109 I110 G135N105-K112 WeakPolarHBondContact O-CD 3.47Å; N105-K112 WeakPolarHBondContact O-CE 3.38Å; N105-K112 PolarHBondContact O-NZ 3.12Å; T109-K112 HydrophobicContact CG2-CB 3.78Å; T109-K112 HydrophobicContact CG2-CD 4.03Å; T109-K112 PolarHBondContact O-N 3.01Å; I110-K112 PolarHBondContact O-N 3.47Å; K112-G135 WeakPolarHBondContact O-CA 3.5Å
113S84.6Confident83.5Confident19 Ų1956.7 Ų56.713%0.13332%0.323CS..  trans-127.4120.9-178.8175.10000110.8T115 K116 A117 G132S113-T115 PolarHBondContact O-N 2.9Å; S113-T115 WeakPolarHBondContact OG-CB 3.49Å; S113-T115 PolarHBondContact OG-N 2.91Å; S113-T115 VanDerWaalsContact OG-N 3.12Å; S113-K116 WeakPolarHBondContact O-CB 3.39Å; S113-K116 PolarHBondContact O-N 3.48Å; S113-K116 PolarHBondContact OG-N 2.77Å; S113-A117 PolarHBondContact O-N 2.87Å; S113-G132 WeakPolarHBondContact CB-O 3.48Å; S113-G132 PolarHBondContact OG-O 3.34Å
114G81.6Confident81.8Confident19 Ų1960.5 Ų60.520%0.19636%0.355CS..Hα-helixtrans-64.8-21.5170.100000112.6F118G114-F118 WeakPolarHBondContact O-CB 2.95Å; G114-F118 PolarHBondContact O-N 2.95Å
115T83Confident80Confident11 Ų1161.2 Ų61.27%0.06738%0.38CS..Hα-helixtrans-68.7-39.6173.3-59.50000111.3D54 K58 S113 F118 M119 M130D54-T115 HydrophobicContact CB-CG2 4.41Å; D54-T115 WeakPolarHBondContact OD2-CG2 3.43Å; D54-T115 PolarHBondContact OD2-OG1 3.33Å; K58-T115 PolarHBondContact NZ-OG1 3.36Å; S113-T115 PolarHBondContact O-N 2.9Å; S113-T115 WeakPolarHBondContact OG-CB 3.49Å; S113-T115 PolarHBondContact OG-N 2.91Å; S113-T115 VanDerWaalsContact OG-N 3.12Å; T115-F118 PolarHBondContact O-N 2.79Å; T115-M119 WeakPolarHBondContact O-CG 3.47Å; T115-M119 PolarHBondContact O-N 2.89Å; T115-M130 HydrophobicContact CG2-CB 3.39Å; T115-M130 HydrophobicContact CG2-CG 3.94Å; T115-M130 HydrophobicContact CG2-SD 3.59Å; T115-M130 VanDerWaalsContact CG2-SD 3.59Å
116K84Confident78.6Confident112 Ų11259.1 Ų59.149%0.48737%0.374SS..Hα-helixtrans-63.5-46.7173.9-174.9-177.3176.3-171.80111.3S113 F118 M119 E120S113-K116 WeakPolarHBondContact O-CB 3.39Å; S113-K116 PolarHBondContact O-N 3.48Å; S113-K116 PolarHBondContact OG-N 2.77Å; K116-F118 VanDerWaalsContact C-N 3.31Å; K116-F118 PolarHBondContact O-N 3.42Å; K116-M119 WeakPolarHBondContact O-CB 3.12Å; K116-M119 PolarHBondContact O-N 3.38Å; K116-E120 WeakPolarHBondContact CE-OE1 3.25Å; K116-E120 WeakPolarHBondContact O-CG 3.35Å; K116-E120 PolarHBondContact O-N 2.8Å
117A83.6Confident77.3Confident57 Ų5765.3 Ų65.347%0.47141%0.407SS..Hα-helixtrans-61.1-40177.500000112.3S113 E120 A121S113-A117 PolarHBondContact O-N 2.87Å; A117-E120 PolarHBondContact O-N 2.84Å; A117-A121 PolarHBondContact O-N 3.33Å; A117-A121 VanDerWaalsContact O-N 3.08Å
118F83.8Confident76.3Confident32 Ų3265.8 Ų65.814%0.1441%0.409CS..Hα-helixtrans-64.9-45.2175.2-164.4-89.9000111.4K58 Y61 G114 T115 K116 E120 A121 L122 M130K58-F118 HydrophobicContact CB-CE1 4.39Å; K58-F118 HydrophobicContact CB-CE2 4.19Å; K58-F118 HydrophobicContact CB-CZ 4.02Å; K58-F118 HydrophobicContact CD-CD2 4.22Å; K58-F118 HydrophobicContact CD-CG 4.25Å; K58-F118 HydrophobicContact CG-CD1 3.95Å; K58-F118 HydrophobicContact CG-CD2 4.01Å; K58-F118 HydrophobicContact CG-CE1 3.88Å; K58-F118 HydrophobicContact CG-CE2 4.01Å; K58-F118 HydrophobicContact CG-CG 3.95Å; K58-F118 HydrophobicContact CG-CZ 3.9Å; Y61-F118 HydrophobicContact CD1-CE1 4.1Å; Y61-F118 AromaticContact CD1-CZ 3.71Å; Y61-F118 HydrophobicContact CD1-CZ 3.71Å; Y61-F118 HydrophobicContact CG-CE1 4.43Å; Y61-F118 HydrophobicContact CG-CZ 4.3Å; G114-F118 WeakPolarHBondContact O-CB 2.95Å; G114-F118 PolarHBondContact O-N 2.95Å; T115-F118 PolarHBondContact O-N 2.79Å; K116-F118 VanDerWaalsContact C-N 3.31Å; K116-F118 PolarHBondContact O-N 3.42Å; F118-E120 VanDerWaalsContact C-N 3.3Å; F118-E120 PolarHBondContact O-N 3.17Å; F118-A121 WeakPolarHBondContact O-CB 3.48Å; F118-A121 PolarHBondContact O-N 3.14Å; F118-A121 VanDerWaalsContact O-N 3.07Å; F118-L122 HydrophobicContact CD1-CD1 3.62Å; F118-L122 HydrophobicContact CD1-CD2 4.33Å; F118-L122 HydrophobicContact CD1-CG 3.83Å; F118-L122 HydrophobicContact CE1-CD1 3.66Å; F118-L122 HydrophobicContact CE1-CD2 3.9Å; F118-L122 HydrophobicContact CE1-CG 3.89Å; F118-L122 HydrophobicContact CZ-CD2 4.48Å; F118-L122 VanDerWaalsContact O-CG 3.31Å; F118-L122 WeakPolarHBondContact O-CG 3.5Å; F118-L122 PolarHBondContact O-N 2.82Å; F118-M130 HydrophobicContact CB-CE 4.3Å; F118-M130 HydrophobicContact CD1-CE 3.32Å; F118-M130 HydrophobicContact CD1-SD 4.02Å; F118-M130 HydrophobicContact CE1-CE 4.02Å; F118-M130 HydrophobicContact CG-CE 4.24Å
119M79.3Confident75.6Confident60 Ų6065.4 Ų65.430%0.29640%0.402SS..Hα-helixtrans-57-41173.9-76.7-67.7-65.400112.7T115 K116 A121 L122 M130T115-M119 WeakPolarHBondContact O-CG 3.47Å; T115-M119 PolarHBondContact O-N 2.89Å; K116-M119 WeakPolarHBondContact O-CB 3.12Å; K116-M119 PolarHBondContact O-N 3.38Å; M119-A121 VanDerWaalsContact C-N 3.3Å; M119-A121 PolarHBondContact O-N 3.2Å; M119-L122 PolarHBondContact O-N 2.68Å; M119-L122 HydrophobicContact SD-CD1 4.39Å; M119-M130 HydrophobicContact CG-CB 4.38Å; M119-M130 HydrophobicContact CG-CE 3.55Å; M119-M130 HydrophobicContact SD-CB 4.23Å; M119-M130 HydrophobicContact SD-CE 3.39Å; M119-M130 WeakPolarHBondContact SD-CE 3.42Å
120E80.9Confident75.2Confident117 Ų11762.8 Ų62.855%0.54739%0.386SS..Hα-helixtrans-66.8-31176.6-73.2172.7-176.500112.6K116 A117 F118 Q123K116-E120 WeakPolarHBondContact CE-OE1 3.25Å; K116-E120 WeakPolarHBondContact O-CG 3.35Å; K116-E120 PolarHBondContact O-N 2.8Å; A117-E120 PolarHBondContact O-N 2.84Å; F118-E120 VanDerWaalsContact C-N 3.3Å; F118-E120 PolarHBondContact O-N 3.17Å; E120-Q123 VanDerWaalsContact O-CG 3.27Å; E120-Q123 WeakPolarHBondContact O-CG 3.49Å
121A80.2Confident74.7Confident81 Ų8161.7 Ų61.767%0.66938%0.381SS*.Hα-helixtrans-74.7-26174.400000112.9A117 F118 M119 Q123A117-A121 PolarHBondContact O-N 3.33Å; A117-A121 VanDerWaalsContact O-N 3.08Å; F118-A121 WeakPolarHBondContact O-CB 3.48Å; F118-A121 PolarHBondContact O-N 3.14Å; F118-A121 VanDerWaalsContact O-N 3.07Å; M119-A121 VanDerWaalsContact C-N 3.3Å; M119-A121 PolarHBondContact O-N 3.2Å; A121-Q123 PolarHBondContact O-N 2.92Å
122L76.9Confident74.2Confident19 Ų1958.4 Ų58.410%0.09935%0.354CS..  trans-75.526.8-178.5-72.2-179.6000115.2Y61 F118 M119 A124 A126 I128 M130Y61-L122 HydrophobicContact CD1-CD2 3.59Å; Y61-L122 HydrophobicContact CD2-CD2 4.21Å; Y61-L122 HydrophobicContact CE1-CD2 3.11Å; Y61-L122 HydrophobicContact CE2-CD2 3.77Å; Y61-L122 HydrophobicContact CG-CD2 4.08Å; Y61-L122 WeakPolarHBondContact OH-CD2 3.43Å; F118-L122 HydrophobicContact CD1-CD1 3.62Å; F118-L122 HydrophobicContact CD1-CD2 4.33Å; F118-L122 HydrophobicContact CD1-CG 3.83Å; F118-L122 HydrophobicContact CE1-CD1 3.66Å; F118-L122 HydrophobicContact CE1-CD2 3.9Å; F118-L122 HydrophobicContact CE1-CG 3.89Å; F118-L122 HydrophobicContact CZ-CD2 4.48Å; F118-L122 VanDerWaalsContact O-CG 3.31Å; F118-L122 WeakPolarHBondContact O-CG 3.5Å; F118-L122 PolarHBondContact O-N 2.82Å; M119-L122 PolarHBondContact O-N 2.68Å; M119-L122 HydrophobicContact SD-CD1 4.39Å; L122-A124 PolarHBondContact O-N 2.89Å; L122-A126 HydrophobicContact CB-CB 4.45Å; L122-A126 HydrophobicContact CD1-CB 4.39Å; L122-A126 HydrophobicContact CD2-CB 4.03Å; L122-I128 HydrophobicContact CD1-CB 3.95Å; L122-I128 HydrophobicContact CD1-CD1 3.89Å; L122-I128 HydrophobicContact CD1-CG1 4.47Å; L122-I128 HydrophobicContact CD1-CG2 4.13Å; L122-I128 HydrophobicContact CD2-CD1 4.4Å; L122-M130 HydrophobicContact CD1-CE 3.77Å
123Q62.8Low73.7Confident182 Ų18258.3 Ų58.385%0.8536%0.355SS*.THydrogen-bonded Turntrans-56.3-14.7-176.3-62.4-162.1-14.700115E120 A121 G125E120-Q123 VanDerWaalsContact O-CG 3.27Å; E120-Q123 WeakPolarHBondContact O-CG 3.49Å; A121-Q123 PolarHBondContact O-N 2.92Å; Q123-G125 PolarHBondContact O-N 2.87Å
124A57.1Low73.5Confident80 Ų8060.9 Ų60.966%0.66136%0.364SS*.THydrogen-bonded Turntrans-94.980.4178.200000112.5L122 A126L122-A124 PolarHBondContact O-N 2.89Å; A124-A126 PolarHBondContact O-N 3.21Å
125G55.5Low73.5Confident87 Ų8760.9 Ų60.990%0.89736%0.364SS*.THydrogen-bonded Turntrans53.723154.400000117.9Q123Q123-G125 PolarHBondContact O-N 2.87Å
126A60.4Low73.6Confident33 Ų3360.7 Ų60.727%0.27336%0.363SS..  trans-78.1129-177.600000110.7Y61 L122 A124 I128Y61-A126 HydrophobicContact CD2-CB 4.21Å; Y61-A126 HydrophobicContact CE2-CB 3.51Å; L122-A126 HydrophobicContact CB-CB 4.45Å; L122-A126 HydrophobicContact CD1-CB 4.39Å; L122-A126 HydrophobicContact CD2-CB 4.03Å; A124-A126 PolarHBondContact O-N 3.21Å; A126-I128 HydrophobicContact CB-CD1 4.17Å; A126-I128 HydrophobicContact CB-CG1 4.22Å; A126-I128 PolarHBondContact O-N 2.87Å
127D63.8Low73.8Confident165 Ų16555.8 Ų55.888%0.88234%0.344SS*.  trans-7760.1172.5-171.418.8000110.5
128I67.4Low74.2Confident29 Ų2954 Ų5415%0.14933%0.326CS..  trans-120.6117.1-178.6-63176.4000109.8Y61 L122 A126 M130Y61-I128 HydrophobicContact CD1-CD1 4.31Å; Y61-I128 HydrophobicContact CD2-CD1 3.11Å; Y61-I128 HydrophobicContact CD2-CG1 4.25Å; Y61-I128 HydrophobicContact CE2-CD1 3.94Å; Y61-I128 HydrophobicContact CG-CD1 3.28Å; L122-I128 HydrophobicContact CD1-CB 3.95Å; L122-I128 HydrophobicContact CD1-CD1 3.89Å; L122-I128 HydrophobicContact CD1-CG1 4.47Å; L122-I128 HydrophobicContact CD1-CG2 4.13Å; L122-I128 HydrophobicContact CD2-CD1 4.4Å; A126-I128 HydrophobicContact CB-CD1 4.17Å; A126-I128 HydrophobicContact CB-CG1 4.22Å; A126-I128 PolarHBondContact O-N 2.87Å; I128-M130 HydrophobicContact CG2-CE 3.67Å; I128-M130 HydrophobicContact CG2-CG 3.83Å; I128-M130 HydrophobicContact CG2-SD 4.34Å
129S65.7Low74.6Confident15 Ų1553.2 Ų53.211%0.10532%0.322CS..  trans-107.7101.7174.5-1780000109.2R367 E393S129-R367 VanDerWaalsContact CA-NH1 3.27Å; S129-R367 WeakPolarHBondContact OG-CD 3.36Å; S129-R367 VanDerWaalsContact OG-CG 3.27Å; S129-R367 WeakPolarHBondContact OG-CG 3.32Å; S129-R367 PolarHBondContact OG-NH1 3.49Å; S129-E393 VanDerWaalsContact CB-OE2 3.29Å; S129-E393 WeakPolarHBondContact CB-OE2 3.45Å; S129-E393 PolarHBondContact OG-OE2 2.64Å
130M76.2Confident75.2Confident0 Ų050.3 Ų50.30%031%0.308CS..  trans-102148.3175.7-77.7177-78.900112.5D54 K58 T115 F118 M119 L122 I128 R367D54-M130 HydrophobicContact CB-CG 4.44Å; D54-M130 WeakPolarHBondContact OD1-CA 3.46Å; K58-M130 HydrophobicContact CG-SD 4.02Å; T115-M130 HydrophobicContact CG2-CB 3.39Å; T115-M130 HydrophobicContact CG2-CG 3.94Å; T115-M130 HydrophobicContact CG2-SD 3.59Å; T115-M130 VanDerWaalsContact CG2-SD 3.59Å; F118-M130 HydrophobicContact CB-CE 4.3Å; F118-M130 HydrophobicContact CD1-CE 3.32Å; F118-M130 HydrophobicContact CD1-SD 4.02Å; F118-M130 HydrophobicContact CE1-CE 4.02Å; F118-M130 HydrophobicContact CG-CE 4.24Å; M119-M130 HydrophobicContact CG-CB 4.38Å; M119-M130 HydrophobicContact CG-CE 3.55Å; M119-M130 HydrophobicContact SD-CB 4.23Å; M119-M130 HydrophobicContact SD-CE 3.39Å; M119-M130 WeakPolarHBondContact SD-CE 3.42Å; L122-M130 HydrophobicContact CD1-CE 3.77Å; I128-M130 HydrophobicContact CG2-CE 3.67Å; I128-M130 HydrophobicContact CG2-CG 3.83Å; I128-M130 HydrophobicContact CG2-SD 4.34Å; M130-R367 WeakPolarHBondContact O-CD 3.34Å
131I74.6Confident75.9Confident11 Ų1144.8 Ų44.86%0.05628%0.282CS..  trans-96.1-44.7-167.4-62.9151000111.3D54 Q133 I214 R367 V369 R401D54-I131 PolarHBondContact OD1-N 3.44Å; I131-Q133 PolarHBondContact O-N 2.97Å; I131-I214 HydrophobicContact CD1-CD1 4.4Å; I131-R367 HydrophobicContact CG1-CB 4.06Å; I131-V369 HydrophobicContact CD1-CG2 3.38Å; I131-V369 HydrophobicContact CG1-CG2 3.87Å; I131-V369 HydrophobicContact CG2-CG2 4.11Å; I131-R401 VanDerWaalsContact O-CZ 3.24Å; I131-R401 PolarHBondContact O-NH1 2.93Å; I131-R401 PolarHBondContact O-NH2 2.91Å
132G71.1Confident76.6Confident6 Ų641.3 Ų41.36%0.06225%0.251CS..  trans-75.452.5-162.600000118D54 S113D54-G132 VanDerWaalsContact OD2-CA 3.25Å; D54-G132 WeakPolarHBondContact OD2-CA 3.2Å; D54-G132 PolarHBondContact OD2-N 3.44Å; S113-G132 WeakPolarHBondContact CB-O 3.48Å; S113-G132 PolarHBondContact OG-O 3.34Å
133Q76.1Confident77.4Confident90 Ų9041 Ų4142%0.42125%0.25SC..  trans-78.5-26.5-170.9-60.6-176.33.500116.4I131I131-Q133 PolarHBondContact O-N 2.97Å
134F78.8Confident78.9Confident73 Ų7332.3 Ų32.332%0.3221%0.209SC..SBendtrans-75.9-31-171.6-61.6-69.6000115.4V136 R401F134-V136 HydrophobicContact CB-CG2 3.98Å; F134-R401 HydrophobicContact CD2-CG 4.49Å; F134-R401 HydrophobicContact CE2-CG 4Å
135G82.4Confident80.8Confident18 Ų1828.5 Ų28.519%0.18618%0.178CC..SBendtrans73.727-175.400000114.9A111 K112A111-G135 PolarHBondContact N-O 3.25Å; A111-G135 VanDerWaalsContact N-O 3.09Å; K112-G135 WeakPolarHBondContact O-CA 3.5Å
136V85.7Confident82.7Confident8 Ų829.5 Ų29.55%0.04816%0.159CC..  trans-126-13.3175.4-60.60000114.1I33 I110 F134 F138 Y139 I399I33-V136 HydrophobicContact CD1-CG1 4.26Å; I110-V136 HydrophobicContact CG2-CG1 4.32Å; F134-V136 HydrophobicContact CB-CG2 3.98Å; V136-F138 VanDerWaalsContact C-N 3.32Å; V136-F138 PolarHBondContact O-N 3.06Å; V136-Y139 PolarHBondContact O-N 2.96Å; V136-I399 HydrophobicContact CG2-CG1 4.17Å
137G87.5Confident84.5Confident9 Ų931 Ų319%0.09316%0.16CC..G310 helixtrans-61.5-35-173.500000113.9E47 Y139 S140E47-G137 WeakPolarHBondContact CB-O 3.27Å; E47-G137 WeakPolarHBondContact OE2-CA 3.33Å; G137-Y139 VanDerWaalsContact C-N 3.31Å; G137-Y139 PolarHBondContact O-N 3.43Å; G137-S140 VanDerWaalsContact O-CB 3.28Å; G137-S140 WeakPolarHBondContact O-CB 3.05Å; G137-S140 PolarHBondContact O-N 2.9Å; G137-S140 PolarHBondContact O-OG 3.48Å
138F92.9Very high86.1Confident20 Ų2023.2 Ų23.29%0.08812%0.118CC..G310 helixtrans-58.2-41.1177.6171.9-105.3000112.8L48 L107 V136 S140 A141 V148 V150 W162L48-F138 HydrophobicContact CD2-CD2 4.25Å; L107-F138 HydrophobicContact CD1-CB 4.2Å; L107-F138 HydrophobicContact CD1-CD1 3.35Å; L107-F138 HydrophobicContact CD1-CD2 3.68Å; L107-F138 HydrophobicContact CD1-CE1 3.49Å; L107-F138 VanDerWaalsContact CD1-CE1 3.49Å; L107-F138 HydrophobicContact CD1-CE2 3.82Å; L107-F138 HydrophobicContact CD1-CG 3.45Å; L107-F138 VanDerWaalsContact CD1-CG 3.45Å; L107-F138 HydrophobicContact CD1-CZ 3.72Å; L107-F138 HydrophobicContact CD2-CE1 4.15Å; L107-F138 HydrophobicContact CD2-CZ 3.99Å; L107-F138 HydrophobicContact CG-CD1 4.03Å; L107-F138 HydrophobicContact CG-CE1 3.75Å; L107-F138 HydrophobicContact CG-CZ 4.06Å; V136-F138 VanDerWaalsContact C-N 3.32Å; V136-F138 PolarHBondContact O-N 3.06Å; F138-S140 PolarHBondContact O-N 3.4Å; F138-S140 VanDerWaalsContact O-N 3.12Å; F138-A141 VanDerWaalsContact O-CB 3.27Å; F138-A141 WeakPolarHBondContact O-CB 3.32Å; F138-A141 PolarHBondContact O-N 3.27Å; F138-V148 HydrophobicContact CE2-CG1 4.16Å; F138-V148 HydrophobicContact CZ-CG1 3.86Å; F138-V150 HydrophobicContact CE2-CG2 3.78Å; F138-V150 HydrophobicContact CZ-CG2 3.72Å; F138-W162 AromaticContact CE1-CH2 3.79Å; F138-W162 HydrophobicContact CE1-CH2 3.79Å; F138-W162 HydrophobicContact CE1-CZ2 4.46Å; F138-W162 HydrophobicContact CE1-CZ3 4.06Å; F138-W162 HydrophobicContact CZ-CE3 4.5Å; F138-W162 HydrophobicContact CZ-CH2 4.05Å; F138-W162 AromaticContact CZ-CZ3 3.83Å; F138-W162 HydrophobicContact CZ-CZ3 3.83Å
139Y91.9Very high87.5Confident14 Ų1422.2 Ų22.26%0.05511%0.113CC..G310 helixtrans-69-12.6-176.9-55.2-63.6000113.4M30 L107 I110 V136 G137 A141 Y142M30-Y139 HydrophobicContact CE-CD1 3.53Å; M30-Y139 HydrophobicContact CE-CE1 4.17Å; M30-Y139 HydrophobicContact CE-CG 3.92Å; M30-Y139 HydrophobicContact SD-CD1 3.85Å; M30-Y139 HydrophobicContact SD-CD2 4.39Å; M30-Y139 HydrophobicContact SD-CE1 4.09Å; M30-Y139 HydrophobicContact SD-CG 4Å; L107-Y139 PolarHBondContact O-OH 3.4Å; I110-Y139 HydrophobicContact CB-CE2 4.36Å; I110-Y139 HydrophobicContact CG1-CE2 3.84Å; V136-Y139 PolarHBondContact O-N 2.96Å; G137-Y139 VanDerWaalsContact C-N 3.31Å; G137-Y139 PolarHBondContact O-N 3.43Å; Y139-A141 PolarHBondContact O-N 2.67Å; Y139-Y142 HydrophobicContact CD1-CE2 4.39Å; Y139-Y142 PolarHBondContact O-N 2.89Å
140S91.6Very high89.1Confident0 Ų021.6 Ų21.60%011%0.109CC..G310 helixtrans-61.7-19.617071.70000113I43 F44 G137 F138 Y142 L143I43-S140 VanDerWaalsContact CD1-CB 3.42Å; F44-S140 WeakPolarHBondContact CB-O 3.39Å; G137-S140 VanDerWaalsContact O-CB 3.28Å; G137-S140 WeakPolarHBondContact O-CB 3.05Å; G137-S140 PolarHBondContact O-N 2.9Å; G137-S140 PolarHBondContact O-OG 3.48Å; F138-S140 PolarHBondContact O-N 3.4Å; F138-S140 VanDerWaalsContact O-N 3.12Å; S140-Y142 PolarHBondContact O-N 3.36Å; S140-L143 WeakPolarHBondContact O-CB 3.25Å; S140-L143 WeakPolarHBondContact O-CD1 3.41Å; S140-L143 VanDerWaalsContact O-CG 3.26Å; S140-L143 WeakPolarHBondContact O-CG 3.42Å; S140-L143 PolarHBondContact O-N 3.02Å
141A95.3Very high90.1Very high0 Ų022.7 Ų22.70%011%0.114CC..G310 helixtrans-53.5-35.5172.300000112.6F138 Y139 L143 V144 A145 V148 L188F138-A141 VanDerWaalsContact O-CB 3.27Å; F138-A141 WeakPolarHBondContact O-CB 3.32Å; F138-A141 PolarHBondContact O-N 3.27Å; Y139-A141 PolarHBondContact O-N 2.67Å; A141-L143 PolarHBondContact O-N 2.79Å; A141-V144 PolarHBondContact O-N 3.12Å; A141-A145 VanDerWaalsContact O-CB 3.3Å; A141-A145 WeakPolarHBondContact O-CB 3.36Å; A141-A145 PolarHBondContact O-N 2.98Å; A141-V148 HydrophobicContact CB-CG2 3.91Å; A141-L188 HydrophobicContact CB-CD2 3.83Å
142Y94.9Very high91.2Very high8 Ų822.1 Ų22.13%0.03111%0.112CC..G310 helixtrans-74.1-4179.3-64.8-75.3000114.4M30 I34 Y139 S140 V144 A145 V148 W162 S164 A166 K191M30-Y142 HydrophobicContact CE-CD2 4.4Å; I34-Y142 HydrophobicContact CD1-CD2 4.46Å; I34-Y142 HydrophobicContact CD1-CG 4.2Å; Y139-Y142 HydrophobicContact CD1-CE2 4.39Å; Y139-Y142 PolarHBondContact O-N 2.89Å; S140-Y142 PolarHBondContact O-N 3.36Å; Y142-V144 PolarHBondContact O-N 2.78Å; Y142-A145 WeakPolarHBondContact CA-O 3.31Å; Y142-V148 HydrophobicContact CD1-CG2 4.06Å; Y142-V148 HydrophobicContact CE1-CB 4.13Å; Y142-V148 HydrophobicContact CE1-CG2 3.62Å; Y142-V148 HydrophobicContact CE2-CG2 4.19Å; Y142-W162 WeakPolarHBondContact OH-CH2 3.33Å; Y142-S164 WeakPolarHBondContact CE1-O 3.38Å; Y142-S164 VanDerWaalsContact OH-C 3.3Å; Y142-S164 WeakPolarHBondContact OH-CB 3.44Å; Y142-S164 PolarHBondContact OH-O 3.21Å; Y142-A166 HydrophobicContact CD1-CB 3.65Å; Y142-A166 HydrophobicContact CD2-CB 3.92Å; Y142-A166 HydrophobicContact CE1-CB 3.75Å; Y142-A166 HydrophobicContact CE2-CB 4.01Å; Y142-A166 HydrophobicContact CG-CB 3.74Å; Y142-K191 WeakPolarHBondContact O-CE 3.5Å; Y142-K191 PolarHBondContact O-NZ 2.91Å
143L93.3Very high92.5Very high12 Ų1224 Ų246%0.06312%0.118CC..G310 helixtrans-58.8-42.9166.7-73.7166.8000110.4I34 Y38 K41 I43 S140 A141 K191I34-L143 HydrophobicContact CG2-CD2 4.34Å; I34-L143 WeakPolarHBondContact O-CD2 3.44Å; Y38-L143 HydrophobicContact CD2-CD1 3.97Å; Y38-L143 HydrophobicContact CG-CD1 4.1Å; K41-L143 HydrophobicContact CB-CB 4.49Å; K41-L143 HydrophobicContact CG-CB 4.42Å; I43-L143 HydrophobicContact CD1-CD1 3.66Å; I43-L143 HydrophobicContact CG1-CD1 3.98Å; S140-L143 WeakPolarHBondContact O-CB 3.25Å; S140-L143 WeakPolarHBondContact O-CD1 3.41Å; S140-L143 VanDerWaalsContact O-CG 3.26Å; S140-L143 WeakPolarHBondContact O-CG 3.42Å; S140-L143 PolarHBondContact O-N 3.02Å; A141-L143 PolarHBondContact O-N 2.79Å; L143-K191 PolarHBondContact O-NZ 3.33Å
144V95.7Very high93.5Very high0 Ų020.8 Ų20.80%010%0.103CC..THydrogen-bonded Turntrans-112.6-23.1-173.9-58.60000113.5K41 F44 A141 Y142 L190 K191 Q194 Y197K41-V144 HydrophobicContact CB-CG1 4.09Å; F44-V144 HydrophobicContact CB-CG2 4.28Å; F44-V144 HydrophobicContact CD1-CB 4.35Å; F44-V144 HydrophobicContact CD1-CG1 3.72Å; F44-V144 HydrophobicContact CD1-CG2 3.68Å; F44-V144 HydrophobicContact CD2-CG2 3.68Å; F44-V144 HydrophobicContact CE1-CB 4.49Å; F44-V144 HydrophobicContact CE1-CG1 3.98Å; F44-V144 HydrophobicContact CE1-CG2 3.89Å; F44-V144 HydrophobicContact CE2-CG2 3.91Å; F44-V144 HydrophobicContact CG-CG1 4.33Å; F44-V144 HydrophobicContact CG-CG2 3.57Å; F44-V144 HydrophobicContact CZ-CG2 4.01Å; A141-V144 PolarHBondContact O-N 3.12Å; Y142-V144 PolarHBondContact O-N 2.78Å; V144-L190 HydrophobicContact CB-CD2 4.39Å; V144-L190 HydrophobicContact CG2-CD2 4Å; V144-K191 WeakPolarHBondContact O-CG 3.45Å; V144-K191 PolarHBondContact O-N 3.08Å; V144-Q194 HydrophobicContact CB-CB 4.22Å; V144-Q194 HydrophobicContact CB-CG 4.27Å; V144-Y197 HydrophobicContact CB-CD2 4.32Å; V144-Y197 HydrophobicContact CB-CE2 4.45Å; V144-Y197 HydrophobicContact CG1-CD2 3.95Å; V144-Y197 HydrophobicContact CG1-CE2 3.64Å
145A96.7Very high94.3Very high1 Ų119.5 Ų19.51%0.00810%0.099CC..EExtended strand (participates in β ladder)trans-100.1141.6-179.800000112.4A141 Y142 V148 L188 H189 K191A141-A145 VanDerWaalsContact O-CB 3.3Å; A141-A145 WeakPolarHBondContact O-CB 3.36Å; A141-A145 PolarHBondContact O-N 2.98Å; Y142-A145 WeakPolarHBondContact CA-O 3.31Å; A145-V148 HydrophobicContact CB-CG2 4Å; A145-L188 HydrophobicContact CB-CB 4.16Å; A145-L188 HydrophobicContact CB-CD2 4.39Å; A145-H189 CarbonylContact C-O 3.53Å; A145-H189 WeakPolarHBondContact CA-O 3.25Å; A145-H189 WeakPolarHBondContact CB-O 3.19Å; A145-K191 WeakPolarHBondContact O-CE 3.36Å
146E95.5Very high94.9Very high108 Ų10824 Ų2451%0.50512%0.119SC..EExtended strand (participates in β ladder)trans-83-27.9168.556.6175.8-160.100111.9H189 K191E146-H189 HydrophobicContact CG-CB 4.24Å; E146-H189 WeakPolarHBondContact CG-O 3.13Å; E146-H189 PolarHBondContact N-O 3.01Å; E146-K191 HydrophobicContact CB-CG 4.18Å
147K96.9Very high95.4Very high65 Ų6525.7 Ų25.728%0.28313%0.128SC..EExtended strand (participates in β ladder)trans-147.1141.6-178.7178.2-175.3177.6179.40109.6E163 H189K147-E163 WeakPolarHBondContact CE-OE1 3.31Å; K147-E163 IonicContact NZ-OE1 2.92Å; K147-E163 PolarHBondContact NZ-OE1 3.24Å; K147-E163 IonicContact NZ-OE2 3.26Å; K147-H189 HydrophobicContact CB-CB 4.03Å; K147-H189 WeakPolarHBondContact O-CB 3.41Å; K147-H189 PolarHBondContact O-CD2 2.7Å; K147-H189 PolarHBondContact O-N 3.2Å
148V97.7Very high95.8Very high0 Ų030.6 Ų30.60%015%0.148CC..EExtended strand (participates in β ladder)trans-123.6128.5177-178.60000108.9F138 A141 Y142 A145 V150 W162 S164 V186 L188F138-V148 HydrophobicContact CE2-CG1 4.16Å; F138-V148 HydrophobicContact CZ-CG1 3.86Å; A141-V148 HydrophobicContact CB-CG2 3.91Å; Y142-V148 HydrophobicContact CD1-CG2 4.06Å; Y142-V148 HydrophobicContact CE1-CB 4.13Å; Y142-V148 HydrophobicContact CE1-CG2 3.62Å; Y142-V148 HydrophobicContact CE2-CG2 4.19Å; A145-V148 HydrophobicContact CB-CG2 4Å; V148-V150 HydrophobicContact CG1-CG2 3.99Å; V148-W162 HydrophobicContact CB-CZ3 4.35Å; V148-W162 HydrophobicContact CG1-CZ3 4.37Å; V148-S164 PolarHBondContact N-O 3.05Å; V148-S164 PolarHBondContact O-N 3.3Å; V148-S164 VanDerWaalsContact O-N 3.1Å; V148-V186 HydrophobicContact CG1-CG1 4.03Å; V148-L188 HydrophobicContact CG1-CD2 4.15Å; V148-L188 HydrophobicContact CG2-CD2 3.95Å
149T97.7Very high96.1Very high9 Ų930.7 Ų30.76%0.05515%0.149CC..EExtended strand (participates in β ladder)trans-113.6127.5172.7-50.30000108.1I151 W162 I187 H189T149-I151 HydrophobicContact CG2-CG1 4.32Å; T149-W162 CarbonylContact C-O 3.57Å; T149-W162 WeakPolarHBondContact CA-O 3.17Å; T149-I187 PolarHBondContact N-O 3.36Å; T149-I187 PolarHBondContact O-N 3.26Å; T149-H189 PolarHBondContact OG1-NE2 3.43Å
150V98Very high96.4Very high2 Ų231 Ų311%0.01215%0.15CC..EExtended strand (participates in β ladder)trans-118.7111.4179.1-179.80000108.4M98 L103 L107 F138 V148 A161 W162 T184 K185 V186M98-V150 HydrophobicContact CE-CG1 4.04Å; L103-V150 HydrophobicContact CD2-CG1 4.45Å; L107-V150 HydrophobicContact CD2-CB 4.21Å; L107-V150 HydrophobicContact CD2-CG1 4.24Å; L107-V150 HydrophobicContact CD2-CG2 4.03Å; F138-V150 HydrophobicContact CE2-CG2 3.78Å; F138-V150 HydrophobicContact CZ-CG2 3.72Å; V148-V150 HydrophobicContact CG1-CG2 3.99Å; V150-A161 WeakPolarHBondContact O-CA 3.4Å; V150-W162 HydrophobicContact CB-CB 4.25Å; V150-W162 HydrophobicContact CB-CE3 4.12Å; V150-W162 HydrophobicContact CG2-CE3 3.84Å; V150-W162 HydrophobicContact CG2-CZ3 4.26Å; V150-W162 PolarHBondContact N-O 2.97Å; V150-W162 PolarHBondContact O-N 3.45Å; V150-T184 HydrophobicContact CG1-CG2 3.39Å; V150-K185 WeakPolarHBondContact CA-O 3.4Å; V150-V186 HydrophobicContact CG2-CG1 4.45Å; V150-V186 HydrophobicContact CG2-CG2 4.4Å
151I98.1Very high96.6Very high22 Ų2231 Ų3111%0.11315%0.15CC..EExtended strand (participates in β ladder)trans-102.8126.7175.3-56.9173.9000107.4T149 Q159 Y160 A161 D175 M180 T184 K185 I187T149-I151 HydrophobicContact CG2-CG1 4.32Å; I151-Q159 HydrophobicContact CG2-CG 3.97Å; I151-Y160 WeakPolarHBondContact CA-O 3.27Å; I151-A161 HydrophobicContact CG1-CB 4.16Å; I151-D175 HydrophobicContact CG2-CB 4.44Å; I151-D175 VanDerWaalsContact CG2-OD2 3.23Å; I151-D175 WeakPolarHBondContact CG2-OD2 3.31Å; I151-M180 HydrophobicContact CB-SD 4.41Å; I151-M180 HydrophobicContact CG2-SD 3.83Å; I151-T184 CarbonylContact O-C 3.6Å; I151-T184 WeakPolarHBondContact O-CA 3.48Å; I151-T184 WeakPolarHBondContact O-CG2 3.43Å; I151-K185 HydrophobicContact CB-CB 4.31Å; I151-K185 PolarHBondContact N-O 2.99Å; I151-K185 PolarHBondContact O-N 3.2Å; I151-I187 HydrophobicContact CD1-CD1 4.08Å
152T98.1Very high96.7Very high0 Ų031.2 Ų31.20%015%0.151CC..EExtended strand (participates in β ladder)trans-141.1147.4-174.1-1680000111.7M98 L103 Q159 Y160 G183 T184M98-T152 HydrophobicContact CB-CG2 3.95Å; M98-T152 PolarHBondContact N-OG1 3.26Å; M98-T152 WeakPolarHBondContact O-CG2 3.15Å; L103-T152 HydrophobicContact CD1-CG2 3.76Å; L103-T152 HydrophobicContact CD2-CG2 3.89Å; L103-T152 HydrophobicContact CG-CG2 3.96Å; T152-Q159 WeakPolarHBondContact O-CA 3.27Å; T152-Y160 PolarHBondContact N-O 3.29Å; T152-Y160 PolarHBondContact O-N 2.83Å; T152-G183 WeakPolarHBondContact CA-O 3.35Å; T152-G183 PolarHBondContact OG1-O 3.24Å; T152-G183 VanDerWaalsContact OG1-O 3.11Å; T152-T184 PolarHBondContact OG1-OG1 2.89Å
153K97.7Very high96.8Very high44 Ų4433 Ų3319%0.19116%0.16CC..EExtended strand (participates in β ladder)trans-133.9109.5174.2178.666.6173.774.10109.4D157 Q159 M180 R182 G183K153-D157 WeakPolarHBondContact CD-O 3.42Å; K153-D157 WeakPolarHBondContact CE-O 3.27Å; K153-D157 PolarHBondContact NZ-O 3.1Å; K153-Q159 HydrophobicContact CB-CG 4.37Å; K153-Q159 HydrophobicContact CD-CB 4.11Å; K153-M180 HydrophobicContact CB-CB 4.15Å; K153-R182 WeakPolarHBondContact O-CA 3.05Å; K153-G183 PolarHBondContact N-O 2.85Å; K153-G183 PolarHBondContact O-N 2.87Å
154H96.9Very high96.9Very high23 Ų2333 Ų3311%0.10616%0.161CC..  trans-86.5150.4167.1-168.8-97.4000110.2I96 T99 D156 D157I96-H154 PolarHBondContact O-CD2 3.32Å; T99-H154 HydrophobicContact CG2-CB 4.01Å; H154-D156 IonicContact CE1-OD2 3.55Å; H154-D156 PolarHBondContact CE1-OD2 2.98Å; H154-D156 WeakPolarHBondContact ND1-CB 3.42Å; H154-D156 PolarHBondContact ND1-N 2.97Å; H154-D156 IonicContact ND1-OD2 2.63Å; H154-D156 PolarHBondContact O-N 2.67Å; H154-D157 PolarHBondContact O-N 2.9Å
155N95.8Very high96.8Very high46 Ų4636.7 Ų36.725%0.24619%0.187CC..THydrogen-bonded Turntrans-58.6-34.3178.2-77.2-15.7000112.3K69 S72K69-N155 PolarHBondContact O-ND2 3.11Å; S72-N155 WeakPolarHBondContact CB-OD1 3.36Å; S72-N155 PolarHBondContact OG-OD1 2.96Å
156D95.5Very high96.5Very high112 Ų11237.9 Ų37.960%0.59920%0.196SC*.THydrogen-bonded Turntrans-92.99-174.5-52.7-29.2000114.4K69 H154K69-D156 IonicContact NZ-OD1 2.64Å; K69-D156 IonicContact NZ-OD2 3.51Å; H154-D156 IonicContact CE1-OD2 3.55Å; H154-D156 PolarHBondContact CE1-OD2 2.98Å; H154-D156 WeakPolarHBondContact ND1-CB 3.42Å; H154-D156 PolarHBondContact ND1-N 2.97Å; H154-D156 IonicContact ND1-OD2 2.63Å; H154-D156 PolarHBondContact O-N 2.67Å
157D96.4Very high95.8Very high45 Ų4535.8 Ų35.824%0.24120%0.204CC..SBendtrans-148.9172.6179.8-153.1-13.4000111.9T99 K100 K153 H154 Y160T99-D157 WeakPolarHBondContact CB-OD2 3.25Å; T99-D157 HydrophobicContact CG2-CB 4.01Å; K100-D157 PolarHBondContact N-OD2 3.29Å; K153-D157 WeakPolarHBondContact CD-O 3.42Å; K153-D157 WeakPolarHBondContact CE-O 3.27Å; K153-D157 PolarHBondContact NZ-O 3.1Å; H154-D157 PolarHBondContact O-N 2.9Å; D157-Y160 HydrophobicContact CB-CE2 4.3Å; D157-Y160 VanDerWaalsContact CG-CE2 3.42Å; D157-Y160 VanDerWaalsContact OD1-CE2 3.24Å; D157-Y160 WeakPolarHBondContact OD1-CE2 3.47Å; D157-Y160 PolarHBondContact OD1-OH 3.45Å; D157-Y160 WeakPolarHBondContact OD2-CE2 3.41Å
158E96.2Very high95.2Very high111 Ų11135 Ų3552%0.51921%0.214SC..  trans-71.9174.9174-64.3-173.8174.400112.6Y160E158-Y160 HydrophobicContact CB-CE2 3.9Å; E158-Y160 WeakPolarHBondContact O-CD2 3.37Å; E158-Y160 VanDerWaalsContact O-CE2 3.29Å; E158-Y160 WeakPolarHBondContact O-CE2 3.47Å
159Q97.8Very high94.9Very high23 Ų2339.2 Ų39.211%0.10724%0.244CC..EExtended strand (participates in β ladder)trans-82.1128.4172.8-166.2168.7-53.200109.7I151 T152 K153 D175 E178I151-Q159 HydrophobicContact CG2-CG 3.97Å; T152-Q159 WeakPolarHBondContact O-CA 3.27Å; K153-Q159 HydrophobicContact CB-CG 4.37Å; K153-Q159 HydrophobicContact CD-CB 4.11Å; Q159-D175 HydrophobicContact CB-CB 4.4Å; Q159-D175 HydrophobicContact CG-CB 3.96Å; Q159-D175 PolarHBondContact NE2-OD2 2.78Å; Q159-D175 PolarHBondContact O-N 3.17Å; Q159-E178 PolarHBondContact NE2-O 3.23Å
160Y97.9Very high94.8Very high20 Ų2042.2 Ų42.28%0.07826%0.256CS..EExtended strand (participates in β ladder)trans-125.7147.9178.1-60.3-86.2000111.5K100 I151 T152 D157 E158 V172 R173K100-Y160 HydrophobicContact CB-CD1 4.43Å; K100-Y160 HydrophobicContact CB-CD2 4.09Å; K100-Y160 HydrophobicContact CB-CE1 4.11Å; K100-Y160 HydrophobicContact CB-CE2 3.75Å; K100-Y160 HydrophobicContact CB-CG 4.4Å; K100-Y160 HydrophobicContact CD-CD1 4.37Å; K100-Y160 HydrophobicContact CD-CE1 3.77Å; K100-Y160 HydrophobicContact CG-CD1 4.38Å; K100-Y160 HydrophobicContact CG-CE1 4.16Å; I151-Y160 WeakPolarHBondContact CA-O 3.27Å; T152-Y160 PolarHBondContact N-O 3.29Å; T152-Y160 PolarHBondContact O-N 2.83Å; D157-Y160 HydrophobicContact CB-CE2 4.3Å; D157-Y160 VanDerWaalsContact CG-CE2 3.42Å; D157-Y160 VanDerWaalsContact OD1-CE2 3.24Å; D157-Y160 WeakPolarHBondContact OD1-CE2 3.47Å; D157-Y160 PolarHBondContact OD1-OH 3.45Å; D157-Y160 WeakPolarHBondContact OD2-CE2 3.41Å; E158-Y160 HydrophobicContact CB-CE2 3.9Å; E158-Y160 WeakPolarHBondContact O-CD2 3.37Å; E158-Y160 VanDerWaalsContact O-CE2 3.29Å; E158-Y160 WeakPolarHBondContact O-CE2 3.47Å; Y160-V172 HydrophobicContact CD1-CG1 4.35Å; Y160-R173 CarbonylContact C-O 3.56Å; Y160-R173 VanDerWaalsContact CA-O 3.31Å; Y160-R173 WeakPolarHBondContact CA-O 3.45Å
161A97.4Very high94.7Very high0 Ų045.9 Ų45.90%028%0.278CS..EExtended strand (participates in β ladder)trans-108.2118.8169.500000109.7V150 I151 V172 R173 D175V150-A161 WeakPolarHBondContact O-CA 3.4Å; I151-A161 HydrophobicContact CG1-CB 4.16Å; A161-V172 WeakPolarHBondContact O-CA 3.16Å; A161-R173 HydrophobicContact CB-CG 3.91Å; A161-R173 PolarHBondContact N-O 2.97Å; A161-R173 PolarHBondContact O-N 2.85Å; A161-D175 HydrophobicContact CB-CB 4.21Å
162W97.7Very high94.6Very high4 Ų446.8 Ų46.82%0.01529%0.285CS..EExtended strand (participates in β ladder)trans-97.1138.7168.8177.1104.9000109.5L103 L107 F138 Y142 V148 T149 V150 F170 T171 V172L103-W162 HydrophobicContact CD1-CB 4.23Å; L103-W162 HydrophobicContact CD2-CB 3.95Å; L103-W162 HydrophobicContact CD2-CG 4.43Å; L107-W162 HydrophobicContact CD2-CD2 3.71Å; L107-W162 HydrophobicContact CD2-CE3 4.02Å; L107-W162 HydrophobicContact CD2-CG 3.96Å; L107-W162 HydrophobicContact CD2-CZ2 4.4Å; L107-W162 HydrophobicContact CD2-CZ3 4.48Å; F138-W162 AromaticContact CE1-CH2 3.79Å; F138-W162 HydrophobicContact CE1-CH2 3.79Å; F138-W162 HydrophobicContact CE1-CZ2 4.46Å; F138-W162 HydrophobicContact CE1-CZ3 4.06Å; F138-W162 HydrophobicContact CZ-CE3 4.5Å; F138-W162 HydrophobicContact CZ-CH2 4.05Å; F138-W162 AromaticContact CZ-CZ3 3.83Å; F138-W162 HydrophobicContact CZ-CZ3 3.83Å; Y142-W162 WeakPolarHBondContact OH-CH2 3.33Å; V148-W162 HydrophobicContact CB-CZ3 4.35Å; V148-W162 HydrophobicContact CG1-CZ3 4.37Å; T149-W162 CarbonylContact C-O 3.57Å; T149-W162 WeakPolarHBondContact CA-O 3.17Å; V150-W162 HydrophobicContact CB-CB 4.25Å; V150-W162 HydrophobicContact CB-CE3 4.12Å; V150-W162 HydrophobicContact CG2-CE3 3.84Å; V150-W162 HydrophobicContact CG2-CZ3 4.26Å; V150-W162 PolarHBondContact N-O 2.97Å; V150-W162 PolarHBondContact O-N 3.45Å; W162-F170 AromaticContact CD1-CD2 3.5Å; W162-F170 VanDerWaalsContact CD1-CD2 3.5Å; W162-F170 HydrophobicContact CD2-CB 4.48Å; W162-F170 AromaticContact CE2-CD2 3.99Å; W162-F170 AromaticContact CE2-CG 3.79Å; W162-F170 HydrophobicContact CZ2-CB 3.57Å; W162-F170 HydrophobicContact CZ2-CD1 4.43Å; W162-F170 HydrophobicContact CZ2-CG 4.01Å; W162-F170 AromaticContact NE1-CD1 3.99Å; W162-F170 AromaticContact NE1-CD2 3.01Å; W162-F170 AromaticContact NE1-CE2 3.64Å; W162-F170 AromaticContact NE1-CG 3.22Å; W162-T171 CarbonylContact C-O 3.47Å; W162-T171 VanDerWaalsContact CA-O 3.29Å; W162-T171 WeakPolarHBondContact CA-O 3.21Å; W162-V172 HydrophobicContact CG-CG2 4.47Å
163E97Very high94.5Very high45 Ų4552.1 Ų52.121%0.2131%0.305CS..EExtended strand (participates in β ladder)trans-144.2130.9-176.2-169.7178129.800111.7K147 F170 T171 R173K147-E163 WeakPolarHBondContact CE-OE1 3.31Å; K147-E163 IonicContact NZ-OE1 2.92Å; K147-E163 PolarHBondContact NZ-OE1 3.24Å; K147-E163 IonicContact NZ-OE2 3.26Å; E163-F170 WeakPolarHBondContact O-CA 3.36Å; E163-T171 PolarHBondContact N-O 3.5Å; E163-T171 PolarHBondContact O-N 3.09Å; E163-R173 IonicContact OE2-CZ 2.66Å; E163-R173 IonicContact OE2-NH1 2.6Å; E163-R173 PolarHBondContact OE2-NH1 3.39Å; E163-R173 IonicContact OE2-NH2 3.55Å; E163-R173 PolarHBondContact OE2-NH2 3.1Å; E163-R173 VanDerWaalsContact OE2-NH2 3.1Å
164S95.3Very high94.4Very high13 Ų1353.6 Ų53.69%0.09132%0.318CS..EExtended strand (participates in β ladder)trans-154.6149.1174.1-176.40000112.9Y142 V148 A166 S169Y142-S164 WeakPolarHBondContact CE1-O 3.38Å; Y142-S164 VanDerWaalsContact OH-C 3.3Å; Y142-S164 WeakPolarHBondContact OH-CB 3.44Å; Y142-S164 PolarHBondContact OH-O 3.21Å; V148-S164 PolarHBondContact N-O 3.05Å; V148-S164 PolarHBondContact O-N 3.3Å; V148-S164 VanDerWaalsContact O-N 3.1Å; S164-A166 PolarHBondContact OG-N 2.84Å; S164-A166 VanDerWaalsContact OG-N 3.12Å; S164-S169 PolarHBondContact OG-O 3.06Å
165S93.1Very high94.3Very high77 Ų7754 Ų5454%0.53832%0.321SS..  trans-105.220.3171.554.80000113G167S165-G167 PolarHBondContact O-N 2.72Å
166A88.9Confident94Very high26 Ų2658.4 Ų58.422%0.21535%0.35CS..SBendtrans58.714.9-174.600000115.2M30 I34 Y142 S164 G168M30-A166 HydrophobicContact CE-CB 3.95Å; I34-A166 HydrophobicContact CD1-CB 4.04Å; Y142-A166 HydrophobicContact CD1-CB 3.65Å; Y142-A166 HydrophobicContact CD2-CB 3.92Å; Y142-A166 HydrophobicContact CE1-CB 3.75Å; Y142-A166 HydrophobicContact CE2-CB 4.01Å; Y142-A166 HydrophobicContact CG-CB 3.74Å; S164-A166 PolarHBondContact OG-N 2.84Å; S164-A166 VanDerWaalsContact OG-N 3.12Å; A166-G168 PolarHBondContact O-N 3.1Å
167G82.2Confident93.7Very high64 Ų6455.1 Ų55.166%0.6634%0.343SS*.SBendtrans-77.926.9178.200000115.3S165S165-G167 PolarHBondContact O-N 2.72Å
168G84.6Confident93.3Very high48 Ų4860.1 Ų60.150%0.49536%0.364SS..SBendtrans85.2-0.6-179.500000116.2A166A166-G168 PolarHBondContact O-N 3.1Å
169S90.8Very high93Very high89 Ų8960.4 Ų60.462%0.62238%0.376SS*.  trans-145.9163.8175.263.50000112.3S164S164-S169 PolarHBondContact OG-O 3.06Å
170F94.9Very high92.8Very high72 Ų7261.1 Ų61.132%0.31638%0.38SS..  trans-140.3160.1175.262.7-95.3000110.3I104 W162 E163 V172I104-F170 HydrophobicContact CG1-CE2 4.47Å; W162-F170 AromaticContact CD1-CD2 3.5Å; W162-F170 VanDerWaalsContact CD1-CD2 3.5Å; W162-F170 HydrophobicContact CD2-CB 4.48Å; W162-F170 AromaticContact CE2-CD2 3.99Å; W162-F170 AromaticContact CE2-CG 3.79Å; W162-F170 HydrophobicContact CZ2-CB 3.57Å; W162-F170 HydrophobicContact CZ2-CD1 4.43Å; W162-F170 HydrophobicContact CZ2-CG 4.01Å; W162-F170 AromaticContact NE1-CD1 3.99Å; W162-F170 AromaticContact NE1-CD2 3.01Å; W162-F170 AromaticContact NE1-CE2 3.64Å; W162-F170 AromaticContact NE1-CG 3.22Å; E163-F170 WeakPolarHBondContact O-CA 3.36Å; F170-V172 HydrophobicContact CD2-CG2 4.06Å; F170-V172 HydrophobicContact CE2-CG2 4.06Å
171T96.2Very high92.5Very high79 Ų7962.3 Ų62.349%0.48540%0.399SS..EExtended strand (participates in β ladder)trans-119.5151.3176.563.60000110.6W162 E163W162-T171 CarbonylContact C-O 3.47Å; W162-T171 VanDerWaalsContact CA-O 3.29Å; W162-T171 WeakPolarHBondContact CA-O 3.21Å; E163-T171 PolarHBondContact N-O 3.5Å; E163-T171 PolarHBondContact O-N 3.09Å
172V96.6Very high92.4Very high42 Ų4263 Ų6326%0.25540%0.401SS..EExtended strand (participates in β ladder)trans-131.7124.5174.5-176.60000108.3K100 L103 I104 Y160 A161 W162 F170K100-V172 HydrophobicContact CG-CG1 4.27Å; L103-V172 HydrophobicContact CD1-CG1 4.15Å; I104-V172 HydrophobicContact CG1-CG2 4.35Å; Y160-V172 HydrophobicContact CD1-CG1 4.35Å; A161-V172 WeakPolarHBondContact O-CA 3.16Å; W162-V172 HydrophobicContact CG-CG2 4.47Å; F170-V172 HydrophobicContact CD2-CG2 4.06Å; F170-V172 HydrophobicContact CE2-CG2 4.06Å
173R96.2Very high92.4Very high111 Ų11162.8 Ų62.842%0.41940%0.4SS..EExtended strand (participates in β ladder)trans-129.615417763.6-178.6179.4-91.64.7110.2Y160 A161 E163Y160-R173 CarbonylContact C-O 3.56Å; Y160-R173 VanDerWaalsContact CA-O 3.31Å; Y160-R173 WeakPolarHBondContact CA-O 3.45Å; A161-R173 HydrophobicContact CB-CG 3.91Å; A161-R173 PolarHBondContact N-O 2.97Å; A161-R173 PolarHBondContact O-N 2.85Å; E163-R173 IonicContact OE2-CZ 2.66Å; E163-R173 IonicContact OE2-NH1 2.6Å; E163-R173 PolarHBondContact OE2-NH1 3.39Å; E163-R173 IonicContact OE2-NH2 3.55Å; E163-R173 PolarHBondContact OE2-NH2 3.1Å; E163-R173 VanDerWaalsContact OE2-NH2 3.1Å
174T95.8Very high92.5Very high76 Ų7661 Ų6147%0.46639%0.393SS..EExtended strand (participates in β ladder)trans-63.5134.2164.7-54.70000108.2
175D94.5Very high92.6Very high31 Ų3163.1 Ų63.117%0.16640%0.4CS..  trans-90.2135.3178.7-172.827.7000110.8I151 Q159 A161 G177I151-D175 HydrophobicContact CG2-CB 4.44Å; I151-D175 VanDerWaalsContact CG2-OD2 3.23Å; I151-D175 WeakPolarHBondContact CG2-OD2 3.31Å; Q159-D175 HydrophobicContact CB-CB 4.4Å; Q159-D175 HydrophobicContact CG-CB 3.96Å; Q159-D175 PolarHBondContact NE2-OD2 2.78Å; Q159-D175 PolarHBondContact O-N 3.17Å; A161-D175 HydrophobicContact CB-CB 4.21Å; D175-G177 PolarHBondContact OD1-N 3.15Å; D175-G177 VanDerWaalsContact OD1-N 3.09Å
176T89.9Confident92.8Very high138 Ų13860 Ų6085%0.84738%0.378SS*.  trans-115.212.2177.362.30000111.8
177G87.3Confident93.3Very high44 Ų4460 Ų6045%0.45437%0.374SS..SBendtrans-78-151.6178.400000113.9D175 P179D175-G177 PolarHBondContact OD1-N 3.15Å; D175-G177 VanDerWaalsContact OD1-N 3.09Å; G177-P179 WeakPolarHBondContact O-CD 3.49Å
178E88.6Confident94Very high149 Ų14957 Ų5770%0.69634%0.343SS*.SBendtrans-58.7122.8178.2-173.5-179.4-173.200110.9Q159 M180Q159-E178 PolarHBondContact NE2-O 3.23Å; E178-M180 PolarHBondContact O-N 3.38Å
179P90.1Very high94.7Very high118 Ų11857.1 Ų57.177%0.76633%0.33SS*.PPolyproline II helixtrans-64125.6179.6-22.733.2000112.1G177G177-P179 WeakPolarHBondContact O-CD 3.49Å
180M93Very high95Very high37 Ų3752.9 Ų52.918%0.18230%0.301CS..PPolyproline II helixtrans-96.8136.7171.6-61.7-177.764.300109.7I151 K153 E178 K185I151-M180 HydrophobicContact CB-SD 4.41Å; I151-M180 HydrophobicContact CG2-SD 3.83Å; K153-M180 HydrophobicContact CB-CB 4.15Å; E178-M180 PolarHBondContact O-N 3.38Å; M180-K185 HydrophobicContact CE-CB 4.04Å; M180-K185 HydrophobicContact SD-CB 4.03Å
181G92.1Very high95.1Very high46 Ų4652.3 Ų52.347%0.47430%0.298SS..SBendtrans-68.5-52.2173.900000112
182R96.4Very high95Very high14 Ų1455.7 Ų55.75%0.05331%0.308CS..SBendtrans-161.4155.4178.7-164.7-172.257.6-123.6-3.6109.9K69 S72 G73 T94 G95 K153K69-R182 PolarHBondContact O-NH1 3.47Å; S72-R182 PolarHBondContact OG-NH1 3.01Å; G73-R182 VanDerWaalsContact O-CZ 3.23Å; G73-R182 PolarHBondContact O-NH1 2.74Å; G73-R182 PolarHBondContact O-NH2 3.38Å; T94-R182 PolarHBondContact O-NE 2.66Å; T94-R182 PolarHBondContact O-NH2 3.19Å; G95-R182 VanDerWaalsContact O-CD 3.31Å; G95-R182 WeakPolarHBondContact O-CD 3.44Å; G95-R182 VanDerWaalsContact O-CG 3.25Å; G95-R182 WeakPolarHBondContact O-CG 3.49Å; G95-R182 PolarHBondContact O-NE 3Å; K153-R182 WeakPolarHBondContact O-CA 3.05Å
183G97.4Very high95Very high0 Ų058.7 Ų58.70%032%0.323CS..EExtended strand (participates in β ladder)trans107.2-155.2170.800000112.7D93 G95 T152 K153D93-G183 WeakPolarHBondContact O-CA 3.44Å; G95-G183 WeakPolarHBondContact O-CA 2.9Å; G95-G183 PolarHBondContact O-N 3.39Å; T152-G183 WeakPolarHBondContact CA-O 3.35Å; T152-G183 PolarHBondContact OG1-O 3.24Å; T152-G183 VanDerWaalsContact OG1-O 3.11Å; K153-G183 PolarHBondContact N-O 2.85Å; K153-G183 PolarHBondContact O-N 2.87Å
184T98.2Very high95Very high8 Ų853.8 Ų53.85%0.04931%0.305CS..EExtended strand (participates in β ladder)trans-141.7143-174.5-50.80000112.1V92 D93 M98 V150 I151 T152 V186V92-T184 WeakPolarHBondContact CA-O 3.37Å; D93-T184 PolarHBondContact N-O 3.41Å; D93-T184 PolarHBondContact O-N 3.35Å; D93-T184 VanDerWaalsContact OD2-CB 3.25Å; D93-T184 WeakPolarHBondContact OD2-CB 3.44Å; M98-T184 HydrophobicContact CE-CG2 4.12Å; V150-T184 HydrophobicContact CG1-CG2 3.39Å; I151-T184 CarbonylContact O-C 3.6Å; I151-T184 WeakPolarHBondContact O-CA 3.48Å; I151-T184 WeakPolarHBondContact O-CG2 3.43Å; T152-T184 PolarHBondContact OG1-OG1 2.89Å; T184-V186 HydrophobicContact CG2-CG2 4.18Å
185K97.9Very high94.9Very high56 Ų5653.3 Ų53.324%0.24330%0.302CS..EExtended strand (participates in β ladder)trans-115.9112.3173178.3178.5-173.1178.10108.3T90 I91 V92 V150 I151 M180 I187T90-K185 HydrophobicContact CG2-CD 4.1Å; T90-K185 VanDerWaalsContact CG2-CE 3.48Å; T90-K185 HydrophobicContact CG2-CG 3.57Å; I91-K185 CarbonylContact O-C 3.46Å; I91-K185 WeakPolarHBondContact O-CA 3.32Å; V92-K185 HydrophobicContact CG2-CG 4.2Å; V150-K185 WeakPolarHBondContact CA-O 3.4Å; I151-K185 HydrophobicContact CB-CB 4.31Å; I151-K185 PolarHBondContact N-O 2.99Å; I151-K185 PolarHBondContact O-N 3.2Å; M180-K185 HydrophobicContact CE-CB 4.04Å; M180-K185 HydrophobicContact SD-CB 4.03Å; K185-I187 HydrophobicContact CD-CD1 4.33Å; K185-I187 HydrophobicContact CD-CG1 4.39Å; K185-I187 HydrophobicContact CG-CD1 4.45Å; K185-I187 HydrophobicContact CG-CG1 4.02Å
186V98.1Very high95Very high13 Ų1355.3 Ų55.38%0.07931%0.31CS..EExtended strand (participates in β ladder)trans-99.9113.3176.1-177.10000108.6L48 T90 I91 V148 V150 T184 L188L48-V186 HydrophobicContact CD2-CG1 4.26Å; T90-V186 CarbonylContact C-O 3.56Å; T90-V186 WeakPolarHBondContact CA-O 3.25Å; I91-V186 HydrophobicContact CB-CB 4.43Å; I91-V186 PolarHBondContact N-O 3.35Å; I91-V186 PolarHBondContact O-N 3.33Å; V148-V186 HydrophobicContact CG1-CG1 4.03Å; V150-V186 HydrophobicContact CG2-CG1 4.45Å; V150-V186 HydrophobicContact CG2-CG2 4.4Å; T184-V186 HydrophobicContact CG2-CG2 4.18Å; V186-L188 HydrophobicContact CG1-CD2 3.83Å; V186-L188 HydrophobicContact CG1-CG 4.48Å
187I98Very high95.3Very high26 Ų2649 Ų4913%0.13327%0.271CS..EExtended strand (participates in β ladder)trans-103.4114.3179.2-51.9170.7000108T88 T90 T149 I151 K185T88-I187 HydrophobicContact CG2-CG2 4.04Å; T90-I187 HydrophobicContact CG2-CG1 4.35Å; T149-I187 PolarHBondContact N-O 3.36Å; T149-I187 PolarHBondContact O-N 3.26Å; I151-I187 HydrophobicContact CD1-CD1 4.08Å; K185-I187 HydrophobicContact CD-CD1 4.33Å; K185-I187 HydrophobicContact CD-CG1 4.39Å; K185-I187 HydrophobicContact CG-CD1 4.45Å; K185-I187 HydrophobicContact CG-CG1 4.02Å
188L98.3Very high95.7Very high0 Ų047.2 Ų47.20%025%0.251CS..EExtended strand (participates in β ladder)trans-95.7111.2176.7-54.5-177.8000108.8F44 L48 T88 L89 I91 A141 A145 V148 V186 L190F44-L188 HydrophobicContact CD2-CD1 3.72Å; F44-L188 HydrophobicContact CE2-CD1 3.54Å; L48-L188 HydrophobicContact CD1-CD1 3.74Å; L48-L188 HydrophobicContact CD1-CD2 4.13Å; L48-L188 HydrophobicContact CD1-CG 4.35Å; T88-L188 CarbonylContact C-O 3.55Å; T88-L188 WeakPolarHBondContact CA-O 3.41Å; L89-L188 HydrophobicContact CB-CB 4.38Å; L89-L188 HydrophobicContact CB-CD1 4.48Å; L89-L188 HydrophobicContact CD2-CD1 4.41Å; L89-L188 PolarHBondContact N-O 3.05Å; L89-L188 WeakPolarHBondContact O-CB 3.31Å; L89-L188 PolarHBondContact O-N 2.97Å; I91-L188 HydrophobicContact CD1-CD1 3.76Å; I91-L188 HydrophobicContact CD1-CG 4.01Å; A141-L188 HydrophobicContact CB-CD2 3.83Å; A145-L188 HydrophobicContact CB-CB 4.16Å; A145-L188 HydrophobicContact CB-CD2 4.39Å; V148-L188 HydrophobicContact CG1-CD2 4.15Å; V148-L188 HydrophobicContact CG2-CD2 3.95Å; V186-L188 HydrophobicContact CG1-CD2 3.83Å; V186-L188 HydrophobicContact CG1-CG 4.48Å; L188-L190 HydrophobicContact CB-CD2 3.94Å; L188-L190 PolarHBondContact O-N 2.82Å
189H98.1Very high96Very high50 Ų5044.3 Ų44.323%0.23124%0.238CC..EExtended strand (participates in β ladder)trans-80.8103.2167.6-59.6-92.4000107.3T88 A145 E146 K147 T149T88-H189 HydrophobicContact CG2-CB 4.49Å; T88-H189 WeakPolarHBondContact CG2-ND1 3.35Å; A145-H189 CarbonylContact C-O 3.53Å; A145-H189 WeakPolarHBondContact CA-O 3.25Å; A145-H189 WeakPolarHBondContact CB-O 3.19Å; E146-H189 HydrophobicContact CG-CB 4.24Å; E146-H189 WeakPolarHBondContact CG-O 3.13Å; E146-H189 PolarHBondContact N-O 3.01Å; K147-H189 HydrophobicContact CB-CB 4.03Å; K147-H189 WeakPolarHBondContact O-CB 3.41Å; K147-H189 PolarHBondContact O-CD2 2.7Å; K147-H189 PolarHBondContact O-N 3.2Å; T149-H189 PolarHBondContact OG1-NE2 3.43Å
190L97.5Very high96.2Very high1 Ų142.3 Ų42.31%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-73.9143.9-171.3-59.5-178.4000110.7R87 L89 V144 L188 L198R87-L190 WeakPolarHBondContact O-CB 3.33Å; R87-L190 PolarHBondContact O-N 2.97Å; L89-L190 HydrophobicContact CB-CD1 4.37Å; V144-L190 HydrophobicContact CB-CD2 4.39Å; V144-L190 HydrophobicContact CG2-CD2 4Å; L188-L190 HydrophobicContact CB-CD2 3.94Å; L188-L190 PolarHBondContact O-N 2.82Å; L190-L198 HydrophobicContact CD1-CD1 4.07Å; L190-L198 HydrophobicContact CD1-CD2 3.5Å; L190-L198 VanDerWaalsContact CD1-CD2 3.5Å; L190-L198 HydrophobicContact CD1-CG 3.57Å
191K96.5Very high96.2Very high59 Ų5947.8 Ų47.826%0.25724%0.237SC..  trans-60.6151.9169.5-62.4168.8-173.6169.30109.5Y142 L143 V144 A145 E146 D193 Q194Y142-K191 WeakPolarHBondContact O-CE 3.5Å; Y142-K191 PolarHBondContact O-NZ 2.91Å; L143-K191 PolarHBondContact O-NZ 3.33Å; V144-K191 WeakPolarHBondContact O-CG 3.45Å; V144-K191 PolarHBondContact O-N 3.08Å; A145-K191 WeakPolarHBondContact O-CE 3.36Å; E146-K191 HydrophobicContact CB-CG 4.18Å; K191-D193 VanDerWaalsContact CB-OD1 3.3Å; K191-D193 WeakPolarHBondContact CB-OD1 3.34Å; K191-D193 PolarHBondContact O-N 3.43Å; K191-D193 VanDerWaalsContact O-N 3.13Å; K191-Q194 HydrophobicContact CB-CB 4.34Å; K191-Q194 HydrophobicContact CB-CG 3.83Å; K191-Q194 HydrophobicContact CD-CG 4.35Å; K191-Q194 PolarHBondContact O-N 3.32Å
192E94.7Very high96.4Very high150 Ų15047.2 Ų47.270%0.70122%0.22SC*.G310 helixtrans-56.8-32.2-176.8-63-175.2161.400113.4Q194E192-Q194 VanDerWaalsContact C-N 3.35Å
193D95.6Very high96.4Very high105 Ų10546.7 Ų46.756%0.56122%0.218SC*.G310 helixtrans-88.14.7179.771.6-41.8000114.1K191K191-D193 VanDerWaalsContact CB-OD1 3.3Å; K191-D193 WeakPolarHBondContact CB-OD1 3.34Å; K191-D193 PolarHBondContact O-N 3.43Å; K191-D193 VanDerWaalsContact O-N 3.13Å
194Q96.1Very high96.2Very high8 Ų849.5 Ų49.54%0.03723%0.23CC..G310 helixtrans-11721.1-175.1-55-64.2-56.800112.3V144 K191 E192 E196 Y197V144-Q194 HydrophobicContact CB-CB 4.22Å; V144-Q194 HydrophobicContact CB-CG 4.27Å; K191-Q194 HydrophobicContact CB-CB 4.34Å; K191-Q194 HydrophobicContact CB-CG 3.83Å; K191-Q194 HydrophobicContact CD-CG 4.35Å; K191-Q194 PolarHBondContact O-N 3.32Å; E192-Q194 VanDerWaalsContact C-N 3.35Å; Q194-E196 PolarHBondContact O-N 3.02Å; Q194-Y197 HydrophobicContact CB-CD2 4.16Å; Q194-Y197 HydrophobicContact CB-CE2 4.48Å; Q194-Y197 WeakPolarHBondContact O-CD2 3.37Å; Q194-Y197 PolarHBondContact O-N 3.04Å
195T94.5Very high96Very high66 Ų6653 Ų5341%0.40525%0.246SC..G310 helixtrans-66.4-16.4178.751.20000113.6Y197 L198T195-Y197 PolarHBondContact O-N 2.9Å; T195-Y197 VanDerWaalsContact O-N 3.13Å; T195-L198 WeakPolarHBondContact O-CB 3.36Å; T195-L198 PolarHBondContact O-N 3.45Å
196E96.4Very high95.8Very high73 Ų7350.4 Ų50.434%0.34124%0.235SC..G310 helixtrans-54.6-29.9172.464.7164167.200112.5Q194 L198 E199 R202Q194-E196 PolarHBondContact O-N 3.02Å; E196-L198 PolarHBondContact O-N 2.79Å; E196-E199 WeakPolarHBondContact O-CB 3.38Å; E196-E199 PolarHBondContact O-N 3.13Å; E196-E199 VanDerWaalsContact O-N 3.09Å; E196-R202 VanDerWaalsContact O-CB 3.23Å; E196-R202 WeakPolarHBondContact O-CB 3.3Å; E196-R202 WeakPolarHBondContact O-CG 3.39Å; E196-R202 IonicContact OE2-NE 2.63Å; E196-R202 PolarHBondContact OE2-NE 3.28Å
197Y96.5Very high95.6Very high5 Ų549.8 Ų49.82%0.0223%0.232CC..G310 helixtrans-78.42.3179.8-62.1-71.5000113.8E42 F44 V144 Q194 T195 R202 I203 I206E42-Y197 HydrophobicContact CB-CE1 4.18Å; F44-Y197 AromaticContact CE1-CD1 3.48Å; F44-Y197 HydrophobicContact CE1-CD1 3.48Å; F44-Y197 VanDerWaalsContact CE1-CD1 3.48Å; F44-Y197 HydrophobicContact CE1-CD2 4.22Å; F44-Y197 AromaticContact CE1-CE1 3.69Å; F44-Y197 HydrophobicContact CE1-CE1 3.69Å; F44-Y197 HydrophobicContact CE1-CE2 4.44Å; F44-Y197 AromaticContact CE1-CG 3.77Å; F44-Y197 HydrophobicContact CE1-CG 3.77Å; F44-Y197 AromaticContact CZ-CD1 3.9Å; F44-Y197 HydrophobicContact CZ-CD1 3.9Å; F44-Y197 AromaticContact CZ-CG 3.96Å; F44-Y197 HydrophobicContact CZ-CG 3.96Å; V144-Y197 HydrophobicContact CB-CD2 4.32Å; V144-Y197 HydrophobicContact CB-CE2 4.45Å; V144-Y197 HydrophobicContact CG1-CD2 3.95Å; V144-Y197 HydrophobicContact CG1-CE2 3.64Å; Q194-Y197 HydrophobicContact CB-CD2 4.16Å; Q194-Y197 HydrophobicContact CB-CE2 4.48Å; Q194-Y197 WeakPolarHBondContact O-CD2 3.37Å; Q194-Y197 PolarHBondContact O-N 3.04Å; T195-Y197 PolarHBondContact O-N 2.9Å; T195-Y197 VanDerWaalsContact O-N 3.13Å; Y197-R202 HydrophobicContact CD1-CG 4.13Å; Y197-R202 HydrophobicContact CE1-CG 4.39Å; Y197-I203 WeakPolarHBondContact O-CD1 3.42Å; Y197-I203 WeakPolarHBondContact O-CG1 3.2Å; Y197-I206 HydrophobicContact CD1-CD1 3.6Å; Y197-I206 HydrophobicContact CE1-CD1 3.51Å
198L95.7Very high95.2Very high7 Ų753.3 Ų53.34%0.03725%0.246CC..G310 helixtrans-98.7-5.2168.3-55.7174.7000111.9P82 K84 R87 T88 L89 L190 T195 E196P82-L198 HydrophobicContact CB-CD2 4.11Å; K84-L198 WeakPolarHBondContact CE-O 3.38Å; K84-L198 HydrophobicContact CG-CB 4.08Å; K84-L198 HydrophobicContact CG-CD1 4.49Å; R87-L198 HydrophobicContact CB-CD1 4.48Å; T88-L198 VanDerWaalsContact O-CD2 3.23Å; T88-L198 WeakPolarHBondContact O-CD2 3.29Å; L89-L198 HydrophobicContact CB-CD2 4.13Å; L190-L198 HydrophobicContact CD1-CD1 4.07Å; L190-L198 HydrophobicContact CD1-CD2 3.5Å; L190-L198 VanDerWaalsContact CD1-CD2 3.5Å; L190-L198 HydrophobicContact CD1-CG 3.57Å; T195-L198 WeakPolarHBondContact O-CB 3.36Å; T195-L198 PolarHBondContact O-N 3.45Å; E196-L198 PolarHBondContact O-N 2.79Å
199E94.5Very high94.7Very high89 Ų8957.3 Ų57.342%0.41626%0.263SS..SBendtrans-78.4129.2174.4-62.1-175.8-178.600110.8E196 R201 R202 I203E196-E199 WeakPolarHBondContact O-CB 3.38Å; E196-E199 PolarHBondContact O-N 3.13Å; E196-E199 VanDerWaalsContact O-N 3.09Å; E199-R201 VanDerWaalsContact C-N 3.28Å; E199-R201 PolarHBondContact O-N 2.99Å; E199-R202 HydrophobicContact CB-CB 4.14Å; E199-R202 PolarHBondContact O-N 3.42Å; E199-R202 VanDerWaalsContact O-N 3.08Å; E199-I203 PolarHBondContact O-N 3.39Å
200E93.9Very high94.3Very high75 Ų7555.3 Ų55.335%0.3525%0.254SS..Hα-helixtrans-51.4-47.3177.2-176.7-164.2142.700112R202 I203 K204 L220 V222E200-R202 VanDerWaalsContact C-N 3.33Å; E200-R202 PolarHBondContact O-N 3.13Å; E200-I203 PolarHBondContact O-N 3.44Å; E200-K204 HydrophobicContact CG-CD 4.05Å; E200-K204 WeakPolarHBondContact O-CB 3.34Å; E200-K204 VanDerWaalsContact O-CG 3.29Å; E200-K204 WeakPolarHBondContact O-CG 3.47Å; E200-K204 PolarHBondContact O-N 3.37Å; E200-K204 VanDerWaalsContact OE1-CE 3.31Å; E200-K204 WeakPolarHBondContact OE1-CE 3.28Å; E200-K204 IonicContact OE1-NZ 3.92Å; E200-K204 PolarHBondContact OE1-NZ 2.98Å; E200-L220 HydrophobicContact CG-CD2 3.95Å; E200-V222 HydrophobicContact CG-CG1 4.3Å; E200-V222 HydrophobicContact CG-CG2 3.95Å; E200-V222 VanDerWaalsContact OE2-CG1 3.25Å; E200-V222 WeakPolarHBondContact OE2-CG1 3.24Å
201R94.7Very high93.9Very high152 Ų15255.3 Ų55.357%0.57425%0.254SS*.Hα-helixtrans-57.4-46.2179.1-174.6-175.768.495.8-2.3111.5E199 K204 E205E199-R201 VanDerWaalsContact C-N 3.28Å; E199-R201 PolarHBondContact O-N 2.99Å; R201-K204 PolarHBondContact O-N 3.1Å; R201-E205 WeakPolarHBondContact CG-OE1 3.4Å; R201-E205 IonicContact CZ-OE1 2.63Å; R201-E205 IonicContact NE-OE1 3.42Å; R201-E205 IonicContact NH1-OE1 2.68Å; R201-E205 PolarHBondContact NH1-OE1 3.33Å; R201-E205 IonicContact NH1-OE2 2.61Å; R201-E205 WeakPolarHBondContact O-CB 3.37Å; R201-E205 VanDerWaalsContact O-CG 3.31Å; R201-E205 WeakPolarHBondContact O-CG 3.34Å; R201-E205 PolarHBondContact O-N 2.99Å
202R95.5Very high93.4Very high35 Ų3553 Ų5313%0.13224%0.244CC..Hα-helixtrans-67.1-44.1-176.7-172.161.1176.9128.59.1111.3E42 E196 Y197 E199 E200 E205 I206E42-R202 IonicContact OE2-CZ 3.53Å; E42-R202 IonicContact OE2-NH1 2.74Å; E42-R202 PolarHBondContact OE2-NH1 2.99Å; E42-R202 VanDerWaalsContact OE2-NH1 3.07Å; E42-R202 IonicContact OE2-NH2 3.84Å; E42-R202 PolarHBondContact OE2-NH2 3.26Å; E196-R202 VanDerWaalsContact O-CB 3.23Å; E196-R202 WeakPolarHBondContact O-CB 3.3Å; E196-R202 WeakPolarHBondContact O-CG 3.39Å; E196-R202 IonicContact OE2-NE 2.63Å; E196-R202 PolarHBondContact OE2-NE 3.28Å; Y197-R202 HydrophobicContact CD1-CG 4.13Å; Y197-R202 HydrophobicContact CE1-CG 4.39Å; E199-R202 HydrophobicContact CB-CB 4.14Å; E199-R202 PolarHBondContact O-N 3.42Å; E199-R202 VanDerWaalsContact O-N 3.08Å; E200-R202 VanDerWaalsContact C-N 3.33Å; E200-R202 PolarHBondContact O-N 3.13Å; R202-E205 PolarHBondContact O-N 2.71Å; R202-I206 HydrophobicContact CG-CD1 4.02Å; R202-I206 WeakPolarHBondContact O-CD1 3.44Å; R202-I206 VanDerWaalsContact O-CG1 3.25Å; R202-I206 WeakPolarHBondContact O-CG1 3.21Å; R202-I206 PolarHBondContact O-N 2.89Å; R202-I206 VanDerWaalsContact O-N 3.11Å
203I95.7Very high93.1Very high2 Ų246 Ų461%0.0121%0.211CC..Hα-helixtrans-61-48176.1-62.1169.5000110.4L45 L80 P82 L89 Y197 E199 E200 E205 I206 V207 L220L45-I203 HydrophobicContact CD2-CG2 4.2Å; L80-I203 HydrophobicContact CD1-CG2 3.78Å; P82-I203 HydrophobicContact CB-CD1 4.06Å; P82-I203 HydrophobicContact CG-CD1 4.12Å; L89-I203 HydrophobicContact CD1-CD1 4.25Å; Y197-I203 WeakPolarHBondContact O-CD1 3.42Å; Y197-I203 WeakPolarHBondContact O-CG1 3.2Å; E199-I203 PolarHBondContact O-N 3.39Å; E200-I203 PolarHBondContact O-N 3.44Å; I203-E205 VanDerWaalsContact C-N 3.34Å; I203-E205 PolarHBondContact O-N 3.38Å; I203-I206 PolarHBondContact O-N 2.81Å; I203-V207 HydrophobicContact CG2-CG2 4.19Å; I203-V207 WeakPolarHBondContact O-CG2 3.43Å; I203-V207 PolarHBondContact O-N 2.71Å; I203-L220 HydrophobicContact CB-CD1 4.49Å; I203-L220 HydrophobicContact CB-CD2 4.36Å; I203-L220 HydrophobicContact CD1-CD1 3.9Å; I203-L220 HydrophobicContact CG2-CD1 3.95Å; I203-L220 HydrophobicContact CG2-CD2 4.22Å
204K94.5Very high92.8Very high59 Ų5941.3 Ų41.326%0.25719%0.186SC..Hα-helixtrans-57.7-44.1177.9-75.4-179.6173.1-178.90112.4E200 R201 K208 L220 E289 L291E200-K204 HydrophobicContact CG-CD 4.05Å; E200-K204 WeakPolarHBondContact O-CB 3.34Å; E200-K204 VanDerWaalsContact O-CG 3.29Å; E200-K204 WeakPolarHBondContact O-CG 3.47Å; E200-K204 PolarHBondContact O-N 3.37Å; E200-K204 VanDerWaalsContact OE1-CE 3.31Å; E200-K204 WeakPolarHBondContact OE1-CE 3.28Å; E200-K204 IonicContact OE1-NZ 3.92Å; E200-K204 PolarHBondContact OE1-NZ 2.98Å; R201-K204 PolarHBondContact O-N 3.1Å; K204-K208 WeakPolarHBondContact O-CB 3.5Å; K204-K208 PolarHBondContact O-N 2.91Å; K204-L220 HydrophobicContact CG-CD2 4.07Å; K204-E289 WeakPolarHBondContact CE-OE2 3.28Å; K204-E289 IonicContact NZ-OE1 2.64Å; K204-E289 IonicContact NZ-OE2 3.83Å; K204-E289 PolarHBondContact NZ-OE2 3.16Å; K204-L291 HydrophobicContact CG-CD2 3.85Å
205E93.1Very high92.4Very high81 Ų8143.8 Ų43.838%0.37921%0.214SC..Hα-helixtrans-59.8-45.8176.8-78.2172.2-174.900112.1R201 R202 I203 K209R201-E205 WeakPolarHBondContact CG-OE1 3.4Å; R201-E205 IonicContact CZ-OE1 2.63Å; R201-E205 IonicContact NE-OE1 3.42Å; R201-E205 IonicContact NH1-OE1 2.68Å; R201-E205 PolarHBondContact NH1-OE1 3.33Å; R201-E205 IonicContact NH1-OE2 2.61Å; R201-E205 WeakPolarHBondContact O-CB 3.37Å; R201-E205 VanDerWaalsContact O-CG 3.31Å; R201-E205 WeakPolarHBondContact O-CG 3.34Å; R201-E205 PolarHBondContact O-N 2.99Å; R202-E205 PolarHBondContact O-N 2.71Å; I203-E205 VanDerWaalsContact C-N 3.34Å; I203-E205 PolarHBondContact O-N 3.38Å; E205-K209 VanDerWaalsContact O-CB 3.27Å; E205-K209 WeakPolarHBondContact O-CB 3.45Å; E205-K209 PolarHBondContact O-N 3.42Å
206I94.1Very high92.3Very high2 Ų241.6 Ų41.61%0.0120%0.199CC..Hα-helixtrans-68.3-45.2-178.5-62.7163.8000110.8E42 L45 Y197 R202 I203 K209 H210E42-I206 HydrophobicContact CB-CD1 3.99Å; E42-I206 HydrophobicContact CB-CG1 4.08Å; L45-I206 HydrophobicContact CB-CG2 3.97Å; L45-I206 HydrophobicContact CD2-CB 4.19Å; L45-I206 HydrophobicContact CD2-CG2 3.86Å; L45-I206 HydrophobicContact CG-CG2 4.34Å; Y197-I206 HydrophobicContact CD1-CD1 3.6Å; Y197-I206 HydrophobicContact CE1-CD1 3.51Å; R202-I206 HydrophobicContact CG-CD1 4.02Å; R202-I206 WeakPolarHBondContact O-CD1 3.44Å; R202-I206 VanDerWaalsContact O-CG1 3.25Å; R202-I206 WeakPolarHBondContact O-CG1 3.21Å; R202-I206 PolarHBondContact O-N 2.89Å; R202-I206 VanDerWaalsContact O-N 3.11Å; I203-I206 PolarHBondContact O-N 2.81Å; I206-K209 PolarHBondContact O-N 2.99Å; I206-H210 WeakPolarHBondContact O-CB 3.43Å; I206-H210 PolarHBondContact O-CD2 2.65Å; I206-H210 PolarHBondContact O-N 2.97Å
207V93.4Very high92.2Very high1 Ų140.6 Ų40.61%0.00620%0.198CC..Hα-helixtrans-64.8-44.9178.3175.60000110.9L45 I49 L80 I203 K209 H210 S211 Q212 I218 L291L45-V207 HydrophobicContact CD2-CG2 3.93Å; I49-V207 HydrophobicContact CD1-CG2 3.96Å; L80-V207 HydrophobicContact CD1-CG2 3.76Å; I203-V207 HydrophobicContact CG2-CG2 4.19Å; I203-V207 WeakPolarHBondContact O-CG2 3.43Å; I203-V207 PolarHBondContact O-N 2.71Å; V207-K209 PolarHBondContact O-N 3.4Å; V207-H210 PolarHBondContact O-N 2.82Å; V207-S211 CarbonylContact O-C 3.55Å; V207-S211 WeakPolarHBondContact O-CA 3.49Å; V207-S211 PolarHBondContact O-N 3.27Å; V207-Q212 PolarHBondContact O-N 3.5Å; V207-Q212 VanDerWaalsContact O-N 3.14Å; V207-I218 HydrophobicContact CG1-CD1 4.24Å; V207-I218 HydrophobicContact CG1-CG2 4.2Å; V207-L291 HydrophobicContact CB-CD1 3.8Å; V207-L291 HydrophobicContact CG1-CB 3.74Å; V207-L291 HydrophobicContact CG1-CD1 3.75Å; V207-L291 HydrophobicContact CG1-CG 4.43Å; V207-L291 HydrophobicContact CG2-CD1 3.79Å
208K89.7Confident92.2Very high100 Ų10040.4 Ų40.444%0.43520%0.197SC..Hα-helixtrans-61-33.9175.5-176.1175178.6178.70112K204 Q212 N319K204-K208 WeakPolarHBondContact O-CB 3.5Å; K204-K208 PolarHBondContact O-N 2.91Å; K208-Q212 WeakPolarHBondContact O-CB 3.48Å; K208-N319 PolarHBondContact NZ-OD1 2.94Å
209K87.8Confident92.3Very high84 Ų8440.9 Ų40.937%0.36520%0.201SC..Hα-helixtrans-75.5-48.7178.6-177.6176.1174.4-172.40112.4E42 E205 I206 V207 F370E42-K209 IonicContact OE1-NZ 2.79Å; E42-K209 PolarHBondContact OE1-NZ 3.16Å; E205-K209 VanDerWaalsContact O-CB 3.27Å; E205-K209 WeakPolarHBondContact O-CB 3.45Å; E205-K209 PolarHBondContact O-N 3.42Å; I206-K209 PolarHBondContact O-N 2.99Å; V207-K209 PolarHBondContact O-N 3.4Å; K209-F370 HydrophobicContact CG-CD1 4.26Å; K209-F370 HydrophobicContact CG-CE1 4.24Å; K209-F370 VanDerWaalsContact O-CB 3.3Å; K209-F370 WeakPolarHBondContact O-CB 3.44Å; K209-F370 WeakPolarHBondContact O-CG 3.09Å
210H89.2Confident92.4Very high8 Ų836.7 Ų36.74%0.03718%0.181CC..Hα-helixtrans-104.5-27.7-164.3-67.4-73.1000114.9E42 R46 I206 V207 F370E42-H210 IonicContact OE1-CD2 3.7Å; E42-H210 IonicContact OE1-CE1 3.59Å; E42-H210 IonicContact OE1-NE2 3.86Å; E42-H210 PolarHBondContact OE1-NE2 3.5Å; R46-H210 HydrophobicContact CB-CB 3.86Å; R46-H210 HydrophobicContact CG-CB 3.91Å; I206-H210 WeakPolarHBondContact O-CB 3.43Å; I206-H210 PolarHBondContact O-CD2 2.65Å; I206-H210 PolarHBondContact O-N 2.97Å; V207-H210 PolarHBondContact O-N 2.82Å; H210-F370 AromaticContact ND1-CD1 3.69Å
211S89.7Confident92.5Very high1 Ų134.9 Ų34.91%0.00717%0.172CC..SBendtrans-127.815.6-167.7-56.80000113.6V207 F213 I214V207-S211 CarbonylContact O-C 3.55Å; V207-S211 WeakPolarHBondContact O-CA 3.49Å; V207-S211 PolarHBondContact O-N 3.27Å; S211-F213 PolarHBondContact O-N 3.09Å; S211-F213 VanDerWaalsContact O-N 3.11Å; S211-I214 PolarHBondContact O-N 2.86Å
212Q86.7Confident92.1Very high10 Ų1028.2 Ų28.25%0.04715%0.148CC..THydrogen-bonded Turntrans-57-28.9-177.8-175.117515.500113.6V207 K208 N292 S316V207-Q212 PolarHBondContact O-N 3.5Å; V207-Q212 VanDerWaalsContact O-N 3.14Å; K208-Q212 WeakPolarHBondContact O-CB 3.48Å; Q212-N292 WeakPolarHBondContact O-CB 3.46Å; Q212-S316 PolarHBondContact NE2-OG 3.42Å
213F88.2Confident91.7Very high2 Ų232.4 Ų32.41%0.00917%0.169CC..THydrogen-bonded Turntrans-115.716.3-172.6-56.8-63.3000113.8S211 G215 T294 P296 W298 F313 Y365 R368S211-F213 PolarHBondContact O-N 3.09Å; S211-F213 VanDerWaalsContact O-N 3.11Å; F213-G215 PolarHBondContact O-N 3.12Å; F213-T294 HydrophobicContact CE1-CG2 3.89Å; F213-P296 HydrophobicContact CB-CB 4.26Å; F213-P296 HydrophobicContact CD1-CB 4.15Å; F213-P296 HydrophobicContact CG-CB 4.48Å; F213-W298 HydrophobicContact CB-CH2 4.03Å; F213-W298 HydrophobicContact CB-CZ2 4.31Å; F213-W298 AromaticContact CD1-CH2 3.74Å; F213-W298 HydrophobicContact CD1-CH2 3.74Å; F213-W298 HydrophobicContact CD1-CZ3 4.14Å; F213-W298 AromaticContact CD2-CH2 3.47Å; F213-W298 HydrophobicContact CD2-CH2 3.47Å; F213-W298 VanDerWaalsContact CD2-CH2 3.47Å; F213-W298 HydrophobicContact CD2-CZ2 4.35Å; F213-W298 HydrophobicContact CD2-CZ3 4.31Å; F213-W298 AromaticContact CE1-CH2 3.99Å; F213-W298 HydrophobicContact CE1-CH2 3.99Å; F213-W298 HydrophobicContact CE1-CZ3 4Å; F213-W298 AromaticContact CE2-CH2 3.71Å; F213-W298 HydrophobicContact CE2-CH2 3.71Å; F213-W298 HydrophobicContact CE2-CZ3 4.14Å; F213-W298 AromaticContact CG-CH2 3.45Å; F213-W298 HydrophobicContact CG-CH2 3.45Å; F213-W298 VanDerWaalsContact CG-CH2 3.45Å; F213-W298 HydrophobicContact CG-CZ2 4.21Å; F213-W298 HydrophobicContact CG-CZ3 4.28Å; F213-W298 AromaticContact CZ-CH2 3.97Å; F213-W298 HydrophobicContact CZ-CH2 3.97Å; F213-W298 AromaticContact CZ-CZ3 3.99Å; F213-W298 HydrophobicContact CZ-CZ3 3.99Å; F213-F313 AromaticContact CE1-CE2 3.62Å; F213-F313 HydrophobicContact CE1-CE2 3.62Å; F213-F313 HydrophobicContact CE1-CZ 4.39Å; F213-F313 AromaticContact CZ-CE2 3.77Å; F213-F313 HydrophobicContact CZ-CE2 3.77Å; F213-F313 HydrophobicContact CZ-CZ 4.12Å; F213-Y365 HydrophobicContact CD2-CD1 4.1Å; F213-Y365 AromaticContact CD2-CE1 3.49Å; F213-Y365 HydrophobicContact CD2-CE1 3.49Å; F213-Y365 VanDerWaalsContact CD2-CE1 3.49Å; F213-Y365 HydrophobicContact CD2-CE2 4.5Å; F213-Y365 AromaticContact CD2-CZ 3.73Å; F213-Y365 AromaticContact CE2-CE1 3.89Å; F213-Y365 HydrophobicContact CE2-CE1 3.89Å; F213-Y365 HydrophobicContact CE2-CE2 4.23Å; F213-Y365 AromaticContact CE2-CZ 3.6Å; F213-Y365 WeakPolarHBondContact CE2-OH 3.49Å; F213-R368 HydrophobicContact CB-CB 4.13Å; F213-R368 WeakPolarHBondContact O-CB 3.23Å
214I89.1Confident91.1Very high8 Ų835.2 Ų35.24%0.04118%0.182CC..  trans-62.1135.5167.6-64.7-63.6000108.6I49 I131 S211 Y216 I218 N292 V369I49-I214 HydrophobicContact CG2-CG1 4.1Å; I131-I214 HydrophobicContact CD1-CD1 4.4Å; S211-I214 PolarHBondContact O-N 2.86Å; I214-Y216 PolarHBondContact O-N 3.38Å; I214-I218 HydrophobicContact CB-CD1 4.07Å; I214-I218 HydrophobicContact CG1-CD1 4.4Å; I214-I218 HydrophobicContact CG2-CD1 4.35Å; I214-N292 PolarHBondContact O-ND2 2.95Å; I214-V369 HydrophobicContact CD1-CG2 4.18Å
215G87.5Confident90.6Very high60 Ų6037.3 Ų37.362%0.61919%0.192SC*.SBendtrans-73.2-8.9-169.600000115.5F213F213-G215 PolarHBondContact O-N 3.12Å
216Y92.4Very high90.1Very high20 Ų2039.5 Ų39.58%0.07820%0.197CC..SBendtrans-110.9145-178.2-60.5-77.8000110.8L56 D57 R60 L76 I214 I218 N292L56-Y216 HydrophobicContact CB-CD1 4.1Å; L56-Y216 HydrophobicContact CB-CD2 3.75Å; L56-Y216 HydrophobicContact CB-CE1 3.91Å; L56-Y216 HydrophobicContact CB-CE2 3.55Å; L56-Y216 HydrophobicContact CB-CG 4.03Å; L56-Y216 HydrophobicContact CD1-CD1 4.07Å; L56-Y216 HydrophobicContact CD1-CD2 3.76Å; L56-Y216 HydrophobicContact CD1-CE2 4.45Å; L56-Y216 HydrophobicContact CD1-CG 3.56Å; L56-Y216 HydrophobicContact CG-CD2 4.41Å; L56-Y216 HydrophobicContact CG-CG 4.39Å; D57-Y216 WeakPolarHBondContact CA-OH 3.5Å; D57-Y216 WeakPolarHBondContact OD1-CE2 3.24Å; D57-Y216 PolarHBondContact OD1-OH 2.85Å; R60-Y216 VanDerWaalsContact CD-OH 3.24Å; R60-Y216 WeakPolarHBondContact CD-OH 3.33Å; L76-Y216 HydrophobicContact CB-CD1 3.84Å; L76-Y216 HydrophobicContact CB-CE1 3.97Å; L76-Y216 HydrophobicContact CD1-CE1 3.94Å; I214-Y216 PolarHBondContact O-N 3.38Å; Y216-I218 PolarHBondContact O-N 3.27Å; Y216-N292 PolarHBondContact O-ND2 3.21Å
217P95Very high89.5Confident52 Ų5244.2 Ų44.234%0.33822%0.222SC..  trans-57.4129.7177.1-23.934.1000112.1L76 H77 I78L76-P217 WeakPolarHBondContact O-CD 3.17Å; H77-P217 HydrophobicContact CB-CB 4.42Å; I78-P217 PolarHBondContact N-O 2.87Å
218I96.6Very high88.7Confident0 Ų048.1 Ų48.10%024%0.239CC..EExtended strand (participates in β ladder)trans-109.8113.3173.3-57.6168.7000107.2I49 I78 L80 V207 I214 Y216 E290 L291 N292I49-I218 HydrophobicContact CD1-CD1 4.46Å; I49-I218 HydrophobicContact CG2-CD1 3.74Å; I49-I218 HydrophobicContact CG2-CG1 4.5Å; I78-I218 HydrophobicContact CB-CG1 4.4Å; I78-I218 HydrophobicContact CD1-CG1 4.37Å; I78-I218 CarbonylContact O-C 3.51Å; I78-I218 VanDerWaalsContact O-CA 3.31Å; I78-I218 WeakPolarHBondContact O-CA 3.43Å; L80-I218 HydrophobicContact CD1-CG2 3.94Å; L80-I218 HydrophobicContact CG-CG2 4.19Å; V207-I218 HydrophobicContact CG1-CD1 4.24Å; V207-I218 HydrophobicContact CG1-CG2 4.2Å; I214-I218 HydrophobicContact CB-CD1 4.07Å; I214-I218 HydrophobicContact CG1-CD1 4.4Å; I214-I218 HydrophobicContact CG2-CD1 4.35Å; Y216-I218 PolarHBondContact O-N 3.27Å; I218-E290 WeakPolarHBondContact O-CA 3.34Å; I218-L291 HydrophobicContact CG2-CD1 4.49Å; I218-L291 PolarHBondContact O-N 2.97Å; I218-N292 HydrophobicContact CD1-CB 4.41Å; I218-N292 PolarHBondContact N-OD1 3.44Å
219T97.2Very high87.9Confident17 Ų1748.7 Ų48.710%0.10424%0.243CC..EExtended strand (participates in β ladder)trans-106.3144.8179.474.40000111.3I78 N79 L80 F221 E289I78-T219 PolarHBondContact O-N 3.4Å; N79-T219 PolarHBondContact OD1-OG1 3.37Å; L80-T219 PolarHBondContact N-O 3.11Å; T219-F221 WeakPolarHBondContact OG1-CE2 3.2Å; T219-E289 CarbonylContact C-O 3.58Å; T219-E289 VanDerWaalsContact CA-O 3.32Å; T219-E289 WeakPolarHBondContact CA-O 3.33Å
220L96.9Very high86.9Confident1 Ų145 Ų451%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-112.3126.7171.1179.162.5000109.4L80 P82 E200 I203 K204 V222 E289 L291L80-L220 HydrophobicContact CB-CD1 3.88Å; P82-L220 HydrophobicContact CG-CD1 4.15Å; E200-L220 HydrophobicContact CG-CD2 3.95Å; I203-L220 HydrophobicContact CB-CD1 4.49Å; I203-L220 HydrophobicContact CB-CD2 4.36Å; I203-L220 HydrophobicContact CD1-CD1 3.9Å; I203-L220 HydrophobicContact CG2-CD1 3.95Å; I203-L220 HydrophobicContact CG2-CD2 4.22Å; K204-L220 HydrophobicContact CG-CD2 4.07Å; L220-V222 HydrophobicContact CB-CG2 4.42Å; L220-V222 HydrophobicContact CD2-CG2 3.85Å; L220-V222 HydrophobicContact CG-CG2 3.7Å; L220-V222 PolarHBondContact O-N 3.34Å; L220-E289 PolarHBondContact N-O 3.25Å; L220-E289 PolarHBondContact O-N 3.37Å; L220-L291 HydrophobicContact CB-CD1 3.92Å; L220-L291 HydrophobicContact CB-CD2 4.07Å; L220-L291 HydrophobicContact CB-CG 4.07Å
221F95.1Very high85.8Confident38 Ų3847.4 Ų47.417%0.16725%0.246CC..EExtended strand (participates in β ladder)trans-85.7109.7177-77.4-128.9000108.1N79 L80 I81 P82 T219 I286 Q288N79-F221 HydrophobicContact CB-CD2 4.26Å; N79-F221 HydrophobicContact CB-CE2 3.67Å; N79-F221 HydrophobicContact CB-CZ 4.41Å; L80-F221 PolarHBondContact O-N 2.9Å; I81-F221 HydrophobicContact CD1-CD1 4.46Å; I81-F221 HydrophobicContact CG1-CB 4.2Å; I81-F221 HydrophobicContact CG1-CD1 4.21Å; I81-F221 HydrophobicContact CG1-CD2 4.01Å; I81-F221 HydrophobicContact CG1-CE2 4.49Å; I81-F221 HydrophobicContact CG1-CG 3.89Å; I81-F221 HydrophobicContact CG2-CB 4.37Å; P82-F221 WeakPolarHBondContact CD-O 3.48Å; T219-F221 WeakPolarHBondContact OG1-CE2 3.2Å; F221-I286 HydrophobicContact CB-CG2 3.81Å; F221-I286 HydrophobicContact CD1-CG2 3.63Å; F221-I286 HydrophobicContact CG-CG2 4.02Å; F221-Q288 HydrophobicContact CD1-CG 4.47Å; F221-Q288 HydrophobicContact CD2-CG 4.27Å; F221-Q288 HydrophobicContact CE1-CG 4.14Å; F221-Q288 HydrophobicContact CE2-CG 3.92Å; F221-Q288 HydrophobicContact CZ-CG 3.85Å; F221-Q288 VanDerWaalsContact CZ-NE2 3.26Å
222V87.8Confident84.5Confident11 Ų1150.1 Ų50.17%0.06726%0.26CS..EExtended strand (participates in β ladder)trans-116.3126.2-177-174.90000109.4E200 L220 K224 I286 D287E200-V222 HydrophobicContact CG-CG1 4.3Å; E200-V222 HydrophobicContact CG-CG2 3.95Å; E200-V222 VanDerWaalsContact OE2-CG1 3.25Å; E200-V222 WeakPolarHBondContact OE2-CG1 3.24Å; L220-V222 HydrophobicContact CB-CG2 4.42Å; L220-V222 HydrophobicContact CD2-CG2 3.85Å; L220-V222 HydrophobicContact CG-CG2 3.7Å; L220-V222 PolarHBondContact O-N 3.34Å; V222-K224 HydrophobicContact CG1-CG 4.1Å; V222-K224 PolarHBondContact O-N 3.43Å; V222-I286 CarbonylContact O-C 3.52Å; V222-I286 WeakPolarHBondContact O-CA 3.39Å; V222-D287 PolarHBondContact N-O 3.28Å; V222-D287 PolarHBondContact O-N 3.01Å
223E85.3Confident83.5Confident124 Ų12455.7 Ų55.758%0.57929%0.29SS*.EExtended strand (participates in β ladder)trans-73.5116.3170.2-168.5-177168.600109.4K284E223-K284 HydrophobicContact CG-CB 4.43Å; E223-K284 WeakPolarHBondContact OE1-CD 3.48Å; E223-K284 VanDerWaalsContact OE1-CE 3.27Å; E223-K284 WeakPolarHBondContact OE1-CE 3.35Å; E223-K284 IonicContact OE1-NZ 2.74Å; E223-K284 PolarHBondContact OE1-NZ 3.43Å
224K84.5Confident82.2Confident61 Ų6160.6 Ų60.627%0.26531%0.313SS..EExtended strand (participates in β ladder)trans-120.2155.4177.8-69.7-169.4-179.4172.60110.9V222 K284 Y285 D287 E289V222-K224 HydrophobicContact CG1-CG 4.1Å; V222-K224 PolarHBondContact O-N 3.43Å; K224-K284 CarbonylContact O-C 3.57Å; K224-K284 WeakPolarHBondContact O-CA 3.17Å; K224-Y285 HydrophobicContact CB-CD1 4.27Å; K224-Y285 HydrophobicContact CB-CE1 3.64Å; K224-Y285 HydrophobicContact CB-CE2 4.2Å; K224-Y285 PolarHBondContact N-O 3.47Å; K224-Y285 VanDerWaalsContact O-CD1 3.28Å; K224-Y285 WeakPolarHBondContact O-CD1 3.43Å; K224-Y285 PolarHBondContact O-N 3.14Å; K224-D287 HydrophobicContact CD-CB 3.77Å; K224-D287 WeakPolarHBondContact CE-OD2 3.46Å; K224-D287 HydrophobicContact CG-CB 4.19Å; K224-D287 IonicContact NZ-OD2 2.73Å; K224-D287 PolarHBondContact NZ-OD2 3.38Å; K224-E289 WeakPolarHBondContact CE-OE1 3.5Å; K224-E289 IonicContact NZ-OE1 3.82Å; K224-E289 PolarHBondContact NZ-OE1 3.38Å
225E83.2Confident80.7Confident103 Ų10360.2 Ų60.248%0.48131%0.311SS..EExtended strand (participates in β ladder)trans-103.8138.8173.5-65179.6176.100110.2K282 K284E225-K282 WeakPolarHBondContact OE2-CD 3.44Å; E225-K282 WeakPolarHBondContact OE2-CE 3.47Å; E225-K282 IonicContact OE2-NZ 2.8Å; E225-K282 PolarHBondContact OE2-NZ 2.93Å; E225-K284 HydrophobicContact CG-CG 4.09Å
226R83Confident79.6Confident127 Ų12762.5 Ų62.548%0.47931%0.306SS..EExtended strand (participates in β ladder)trans-128.1144.8167.664.3-176.2-176.9-169.4-1.3110.9K228 E283 Y285R226-K228 PolarHBondContact O-N 2.82Å; R226-E283 HydrophobicContact CG-CB 4.31Å; R226-E283 IonicContact CZ-OE2 3.96Å; R226-E283 VanDerWaalsContact CZ-OE2 3.26Å; R226-E283 PolarHBondContact N-O 2.63Å; R226-E283 IonicContact NE-OE2 2.77Å; R226-E283 PolarHBondContact NE-OE2 3.34Å; R226-E283 IonicContact NH2-OE2 2.66Å; R226-E283 PolarHBondContact NH2-OE2 3.23Å; R226-E283 PolarHBondContact O-N 2.59Å; R226-Y285 HydrophobicContact CB-CD1 4.13Å; R226-Y285 HydrophobicContact CB-CE1 3.73Å; R226-Y285 HydrophobicContact CG-CD1 3.77Å; R226-Y285 HydrophobicContact CG-CE1 3.89Å
227D82.1Confident78.3Confident100 Ų10067.5 Ų67.554%0.53533%0.33SS..EExtended strand (participates in β ladder)trans-71.6114.3169.9-69-17.8000109.3K280D227-K280 HydrophobicContact CB-CB 4.48Å; D227-K280 HydrophobicContact CB-CD 4.2Å; D227-K280 IonicContact OD2-NZ 2.61Å
228K76.4Confident76.8Confident84 Ų8468.6 Ų68.637%0.36533%0.329SS..EExtended strand (participates in β ladder)trans-103.6122.5169.8-172.3173.8-179.7-179.80108.9R226 V230 I281 E283R226-K228 PolarHBondContact O-N 2.82Å; K228-V230 HydrophobicContact CD-CG1 4.27Å; K228-V230 HydrophobicContact CG-CG1 4.05Å; K228-V230 PolarHBondContact O-N 3.25Å; K228-I281 PolarHBondContact N-O 3.03Å; K228-I281 PolarHBondContact O-N 3.36Å; K228-E283 HydrophobicContact CB-CB 4.26Å; K228-E283 HydrophobicContact CD-CB 4.49Å; K228-E283 WeakPolarHBondContact CD-OE1 3.11Å; K228-E283 WeakPolarHBondContact CD-OE2 3.27Å; K228-E283 IonicContact NZ-OE1 2.85Å; K228-E283 PolarHBondContact NZ-OE1 3.47Å; K228-E283 IonicContact NZ-OE2 2.8Å
229E72.4Confident75.3Confident111 Ų11173.2 Ų73.252%0.51935%0.351SS..EExtended strand (participates in β ladder)trans-72.1118.1169.4-68.9-173.9176.100109.2K278 K280E229-K278 HydrophobicContact CB-CB 4.46Å; E229-K278 HydrophobicContact CB-CD 4.15Å; E229-K278 HydrophobicContact CG-CD 4.49Å; E229-K278 WeakPolarHBondContact OE2-CD 3.19Å; E229-K278 IonicContact OE2-NZ 3.96Å; E229-K278 PolarHBondContact OE2-NZ 3.46Å; E229-K280 HydrophobicContact CG-CG 4.38Å
230V66.3Low73.9Confident7 Ų777.1 Ų77.14%0.04237%0.371CS..EExtended strand (participates in β ladder)trans-122.9160.4173.2-64.30000110.5K228 E234 A235 K279 I281K228-V230 HydrophobicContact CD-CG1 4.27Å; K228-V230 HydrophobicContact CG-CG1 4.05Å; K228-V230 PolarHBondContact O-N 3.25Å; V230-E234 HydrophobicContact CB-CB 4.02Å; V230-E234 WeakPolarHBondContact CG1-OE2 3.49Å; V230-E234 HydrophobicContact CG2-CB 4.38Å; V230-A235 HydrophobicContact CG2-CB 4.15Å; V230-K279 PolarHBondContact N-O 3.26Å; V230-K279 PolarHBondContact O-N 3.27Å; V230-I281 HydrophobicContact CG2-CB 4.31Å; V230-I281 HydrophobicContact CG2-CD1 3.23Å; V230-I281 HydrophobicContact CG2-CG1 3.69Å
231S67.1Low72.5Confident59 Ų5983.2 Ų83.241%0.41340%0.398SS..  trans-68.9155172.448.20000111D233 E234 A235S231-D233 PolarHBondContact O-N 3.28Å; S231-E234 PolarHBondContact O-N 3.43Å; S231-A235 PolarHBondContact O-N 3.33Å
232D61.9Low70.9Confident58 Ų5887.2 Ų87.231%0.3142%0.417SS..Hα-helixtrans-51.5-41.8-179.6-70.8-29.4000112.4E234 A235 E236 K279D232-E234 VanDerWaalsContact C-N 3.35Å; D232-E234 PolarHBondContact O-N 3.09Å; D232-A235 WeakPolarHBondContact O-CB 3.34Å; D232-A235 PolarHBondContact O-N 2.87Å; D232-E236 PolarHBondContact O-N 2.98Å; D232-K279 WeakPolarHBondContact OD1-CG 3.07Å
233D66.4Low69.5Low127 Ų12792 Ų9268%0.67944%0.438SS*.Hα-helixtrans-61.9-35.6178.4-49-16000113.7S231 A235S231-D233 PolarHBondContact O-N 3.28Å; D233-A235 VanDerWaalsContact C-N 3.3Å
234E61Low68.5Low104 Ų10492.4 Ų92.449%0.48644%0.44SS..Hα-helixtrans-79.3-17.7177.6-76.2-174.1-177.400111.9V230 S231 D232V230-E234 HydrophobicContact CB-CB 4.02Å; V230-E234 WeakPolarHBondContact CG1-OE2 3.49Å; V230-E234 HydrophobicContact CG2-CB 4.38Å; S231-E234 PolarHBondContact O-N 3.43Å; D232-E234 VanDerWaalsContact C-N 3.35Å; D232-E234 PolarHBondContact O-N 3.09Å
235A57.8Low67.3Low0 Ų096.2 Ų96.20%046%0.457CS..Hα-helixtrans-79.9-44.1178.400000112.5V230 S231 D232 D233 K238 E239 K279 I281V230-A235 HydrophobicContact CG2-CB 4.15Å; S231-A235 PolarHBondContact O-N 3.33Å; D232-A235 WeakPolarHBondContact O-CB 3.34Å; D232-A235 PolarHBondContact O-N 2.87Å; D233-A235 VanDerWaalsContact C-N 3.3Å; A235-K238 PolarHBondContact O-N 2.88Å; A235-E239 WeakPolarHBondContact O-CG 3.48Å; A235-E239 PolarHBondContact O-N 3.2Å; A235-K279 HydrophobicContact CB-CB 4.18Å; A235-K279 HydrophobicContact CB-CD 3.86Å; A235-I281 HydrophobicContact CB-CD1 3.6Å; A235-I281 HydrophobicContact CB-CG1 4.31Å
236E62.7Low66Low108 Ų10896.5 Ų96.551%0.50546%0.458SS..Hα-helixtrans-61.6-44.1176.2-68.1178.4-179.500110.8D232 K238 E239 D240D232-E236 PolarHBondContact O-N 2.98Å; E236-K238 PolarHBondContact O-N 3.43Å; E236-K238 VanDerWaalsContact O-N 3.16Å; E236-E239 PolarHBondContact O-N 3.21Å; E236-D240 WeakPolarHBondContact O-CB 3.25Å; E236-D240 VanDerWaalsContact O-CG 3.25Å; E236-D240 PolarHBondContact O-N 3.42Å
237E66.6Low64.7Low126 Ų12696.7 Ų96.759%0.58946%0.463SS*.Hα-helixtrans-61.5-27176.6-79.8-167.7178.100114.6K241E237-K241 WeakPolarHBondContact O-CG 3.13Å
238K62.8Low63.4Low74 Ų7499 Ų9932%0.32247%0.47SS..Hα-helixtrans-86.4-40.7178.4-83.6-169.4175.6-171.30112.1A235 E236 D240 K241 E242 I281A235-K238 PolarHBondContact O-N 2.88Å; E236-K238 PolarHBondContact O-N 3.43Å; E236-K238 VanDerWaalsContact O-N 3.16Å; K238-D240 VanDerWaalsContact C-N 3.3Å; K238-K241 PolarHBondContact O-N 2.9Å; K238-E242 PolarHBondContact O-N 3.41Å; K238-I281 HydrophobicContact CB-CD1 4.24Å; K238-I281 HydrophobicContact CD-CD1 4.08Å; K238-I281 HydrophobicContact CD-CG2 4.12Å
239E65.1Low62.1Low98 Ų98101.7 Ų101.746%0.45848%0.484SS..Hα-helixtrans-59.4-43.3173.1-74.6175.2177.500110A235 E236 K241 E242 E243A235-E239 WeakPolarHBondContact O-CG 3.48Å; A235-E239 PolarHBondContact O-N 3.2Å; E236-E239 PolarHBondContact O-N 3.21Å; E239-K241 VanDerWaalsContact C-N 3.34Å; E239-K241 PolarHBondContact O-N 2.99Å; E239-E242 PolarHBondContact O-N 2.99Å; E239-E243 PolarHBondContact O-N 3.44Å
240D66.9Low61.1Low98 Ų98103.3 Ų103.352%0.52449%0.489SS..Hα-helixtrans-59.9-40176-72.7-18.8000112.7E236 K238 E243 E244E236-D240 WeakPolarHBondContact O-CB 3.25Å; E236-D240 VanDerWaalsContact O-CG 3.25Å; E236-D240 PolarHBondContact O-N 3.42Å; K238-D240 VanDerWaalsContact C-N 3.3Å; D240-E243 PolarHBondContact O-N 3.29Å; D240-E244 PolarHBondContact O-N 3.44Å
241K68.8Low60.3Low130 Ų130111.5 Ų111.557%0.56553%0.527SS*.Hα-helixtrans-72.6-31.5177.8-77.5175.6-175.7162.90113.4E237 K238 E239 K245E237-K241 WeakPolarHBondContact O-CG 3.13Å; K238-K241 PolarHBondContact O-N 2.9Å; E239-K241 VanDerWaalsContact C-N 3.34Å; E239-K241 PolarHBondContact O-N 2.99Å; K241-K245 PolarHBondContact O-N 3.32Å
242E61.8Low59.4Low122 Ų122113.3 Ų113.357%0.5754%0.54SS*.Hα-helixtrans-72.9-39.9173.9-76.4-175.9173.300110.6K238 E239 K245 E246K238-E242 PolarHBondContact O-N 3.41Å; E239-E242 PolarHBondContact O-N 2.99Å; E242-K245 PolarHBondContact O-N 2.87Å; E242-E246 PolarHBondContact O-N 3.39Å
243E58.4Low58.3Low110 Ų110118.5 Ų118.551%0.51456%0.562SS.*Hα-helixtrans-64.4-38.4172.6-78.2-162.6-178.900113.2E239 D240 E246 K247E239-E243 PolarHBondContact O-N 3.44Å; D240-E243 PolarHBondContact O-N 3.29Å; E243-E246 PolarHBondContact O-N 2.99Å; E243-K247 WeakPolarHBondContact O-CB 3.19Å; E243-K247 WeakPolarHBondContact O-CG 3.31Å; E243-K247 PolarHBondContact O-N 3.24Å; E243-K247 IonicContact OE2-NZ 3.64Å
244E62.7Low56.8Low134 Ų134120.8 Ų120.863%0.62657%0.574SS**Hα-helixtrans-62.5-41.4173.5-83.1-174161.500111.7D240 K247 E248D240-E244 PolarHBondContact O-N 3.44Å; E244-K247 PolarHBondContact O-N 3.14Å; E244-E248 PolarHBondContact O-N 3.1Å
245K61.1Low55.9Low140 Ų140125.3 Ų125.361%0.60959%0.592SS**Hα-helixtrans-67.1-41175.6-80.4-176.4175.5-175.50113K241 E242 K247 E248 E249K241-K245 PolarHBondContact O-N 3.32Å; E242-K245 PolarHBondContact O-N 2.87Å; K245-K247 VanDerWaalsContact C-N 3.29Å; K245-K247 PolarHBondContact O-N 3.08Å; K245-E248 PolarHBondContact O-N 3.02Å; K245-E249 PolarHBondContact O-N 3.09Å
246E55.3Low54.9Low110 Ų110131.1 Ų131.151%0.51463%0.63SS.*Hα-helixtrans-65.9-32.1175.1-79.8-161.3-177.600112.4E242 E243 K250E242-E246 PolarHBondContact O-N 3.39Å; E243-E246 PolarHBondContact O-N 2.99Å; E246-K250 WeakPolarHBondContact O-CB 3.48Å; E246-K250 VanDerWaalsContact O-CG 3.3Å; E246-K250 WeakPolarHBondContact O-CG 3.32Å; E246-K250 PolarHBondContact O-N 3.14Å; E246-K250 IonicContact OE2-NZ 3.37Å; E246-K250 PolarHBondContact OE2-NZ 2.74Å
247K56.2Low53.6Low131 Ų131135 Ų13557%0.5765%0.648SS**Hα-helixtrans-69.6-41.2173.3-77.8169.4-177.6153.60111.7E243 E244 K245 K250 E251E243-K247 WeakPolarHBondContact O-CB 3.19Å; E243-K247 WeakPolarHBondContact O-CG 3.31Å; E243-K247 PolarHBondContact O-N 3.24Å; E243-K247 IonicContact OE2-NZ 3.64Å; E244-K247 PolarHBondContact O-N 3.14Å; K245-K247 VanDerWaalsContact C-N 3.29Å; K245-K247 PolarHBondContact O-N 3.08Å; K247-K250 PolarHBondContact O-N 3.44Å; K247-E251 PolarHBondContact O-N 3.18Å
248E53.1Low52.4Low147 Ų147136.8 Ų136.869%0.68766%0.66SS**Hα-helixtrans-65.7-36.1174.1-76.8-173.2161.600112.6E244 K245E244-E248 PolarHBondContact O-N 3.1Å; K245-E248 PolarHBondContact O-N 3.02Å
249E50.3Low51Low142 Ų142141.4 Ų141.466%0.66468%0.683SS**Hα-helixtrans-72.9-35176.1-74.4-177176.500112.3K245 E251 S252K245-E249 PolarHBondContact O-N 3.09Å; E249-E251 PolarHBondContact O-N 3.36Å; E249-S252 PolarHBondContact O-N 3.42Å; E249-S252 PolarHBondContact O-OG 2.95Å
250K50.2Low49.8Very low144 Ų144144.5 Ų144.563%0.62670%0.703SS**Hα-helixtrans-72.9-20.1176.7-78.2171.8-176.5155.20114.2E246 K247 S252E246-K250 WeakPolarHBondContact O-CB 3.48Å; E246-K250 VanDerWaalsContact O-CG 3.3Å; E246-K250 WeakPolarHBondContact O-CG 3.32Å; E246-K250 PolarHBondContact O-N 3.14Å; E246-K250 IonicContact OE2-NZ 3.37Å; E246-K250 PolarHBondContact OE2-NZ 2.74Å; K247-K250 PolarHBondContact O-N 3.44Å; K250-S252 PolarHBondContact O-N 2.98Å
251E49.5Very low48.3Very low179 Ų179146 Ų14684%0.83672%0.715SS**THydrogen-bonded Turntrans-71.5-2172.5-79.8-170.6165.400113.8K247 E249K247-E251 PolarHBondContact O-N 3.18Å; E249-E251 PolarHBondContact O-N 3.36Å
252S48.4Very low46.8Very low98 Ų98142.7 Ų142.769%0.68572%0.718SS**THydrogen-bonded Turntrans-106.7-4.1-179.971.50000116.1E249 K250E249-S252 PolarHBondContact O-N 3.42Å; E249-S252 PolarHBondContact O-OG 2.95Å; K250-S252 PolarHBondContact O-N 2.98Å
253E38.6Very low45.5Very low167 Ų167141.9 Ų141.978%0.7873%0.726SS**SBendtrans-135.4109.8177.1-71.3-167160.100112.7K255E253-K255 PolarHBondContact O-N 2.87Å; E253-K255 VanDerWaalsContact O-N 3.16Å
254D35.2Very low44.4Very low174 Ų174144 Ų14493%0.9374%0.741SS**  trans-58.5108.9171.3-93-37.1000111.7
255K42.6Very low43.1Very low199 Ų199146.1 Ų146.187%0.86575%0.751SS**  trans-157.3145.2156.9-109.5168.6-171.7173.70112.4E253E253-K255 PolarHBondContact O-N 2.87Å; E253-K255 VanDerWaalsContact O-N 3.16Å
256P37.5Very low41.9Very low123 Ų123149 Ų14980%0.79977%0.766SS**  trans-84.9150.1-157.633-34000115.3
257E34.3Very low40.8Very low189 Ų189152.6 Ų152.688%0.88378%0.783SS**  trans-64144.9176.7-73.5174141.400114
258I42.4Very low39.8Very low164 Ų164154.4 Ų154.484%0.84179%0.793SS**  trans-119.4111.8161.8-62.9173.8000107
259E32.6Very low38.8Very low170 Ų170156.1 Ų156.179%0.79480%0.801SS**  trans-73.3137.5166.6-72.9-179.2145.700110.1
260D40.2Very low38.1Very low164 Ų164158.9 Ų158.988%0.87781%0.811SS**  trans-135.9128.1155-145-8.8000109.4
261V35.2Very low37.3Very low130 Ų130161.5 Ų161.579%0.78882%0.822SS**  trans-121128.9-170.1179.60000108.3
262G38.1Very low36.5Very low60 Ų60161 Ų16162%0.61983%0.825SS**  trans168104.9164.400000111.2
263S33.9Very low35.7Very low105 Ų105159.9 Ų159.973%0.73483%0.83SS**  68.9128.989.171.60000111.9
264D35.8Very low35.4Very low154 Ų154159.8 Ų159.882%0.82483%0.834SS**  cis-162.8169.813-89.9-27.4000108.9
265E35.2Very low35.5Very low179 Ų179160.6 Ų160.684%0.83683%0.83SS**  trans-43.4149175.2-57.8166.2167.200116.6
266E35.4Very low35.5Very low201 Ų201161 Ų16194%0.93983%0.832SS**  -169.7131.7125.7-102.6175.1-158.700111.8
267E33Very low35.9Very low184 Ų184163.4 Ų163.486%0.8683%0.83SS**  trans-83172.8-177.9-69.7-175.8136.500113.5
268E34.1Very low36.7Very low170 Ų170161 Ų16179%0.79482%0.816SS**  trans92.9104.7157.1-50.7-161.7154.100118.6
269E32.8Very low37.7Very low183 Ų183157.1 Ų157.186%0.85579%0.793SS**  176.7136.784.1-90.4-159.9143.700111.5
270K35Very low39.3Very low199 Ų199155.4 Ų155.487%0.86578%0.783SS**  trans-72.7144.3173.4-72.3174.5175.4170.40111.5
271K33.2Very low41Very low199 Ų199148.5 Ų148.587%0.86575%0.746SS**  trans-167.6124.1133-105.4158.3-169.1169.70113.9
272D32.7Very low43Very low168 Ų168148.4 Ų148.490%0.89874%0.735SS**  trans4.6129.9158-68-42.6000120.5
273G32.2Very low45Very low75 Ų75147.2 Ų147.277%0.77371%0.713SS**  trans16680.4164.200000115.7K275G273-K275 PolarHBondContact O-N 3.35Å
274D32.7Very low47.3Very low165 Ų165148.6 Ų148.688%0.88271%0.706SS**  trans8.299.8144.4-144.24.5000117.7
275K36.4Very low49.7Very low191 Ų191144.8 Ų144.883%0.8368%0.681SS**  trans176.6108.4150.6-102.6166.4-174.5176.80109.6G273 K277G273-K275 PolarHBondContact O-N 3.35Å; K275-K277 PolarHBondContact O-N 2.88Å
276K43.4Very low52.1Low208 Ų208141.5 Ų141.590%0.90467%0.668SS**  trans-50.8107163.5-78.3-177.1173-172.90108.3
277K44.5Very low54.7Low174 Ų174134.3 Ų134.376%0.75764%0.635SS**PPolyproline II helixtrans-70.5129171.1-79.9179.3176.2175.40106.5K275K275-K277 PolarHBondContact O-N 2.88Å
278K52.8Low57.5Low139 Ų139131.2 Ų131.260%0.60462%0.621SS**PPolyproline II helixtrans-94.5128.7172.6-65176.2172.2-1790107.5E229E229-K278 HydrophobicContact CB-CB 4.46Å; E229-K278 HydrophobicContact CB-CD 4.15Å; E229-K278 HydrophobicContact CG-CD 4.49Å; E229-K278 WeakPolarHBondContact OE2-CD 3.19Å; E229-K278 IonicContact OE2-NZ 3.96Å; E229-K278 PolarHBondContact OE2-NZ 3.46Å
279K62.4Low60.3Low81 Ų81125 Ų12535%0.35259%0.592SS.*EExtended strand (participates in β ladder)trans-83.9145.9169.7-76.3176.9179.8-178.90109.3V230 D232 A235V230-K279 PolarHBondContact N-O 3.26Å; V230-K279 PolarHBondContact O-N 3.27Å; D232-K279 WeakPolarHBondContact OD1-CG 3.07Å; A235-K279 HydrophobicContact CB-CB 4.18Å; A235-K279 HydrophobicContact CB-CD 3.86Å
280K67Low63.1Low134 Ų134120.3 Ų120.358%0.58357%0.57SS**EExtended strand (participates in β ladder)trans-97.9122173.9-71.3-177.9172.2-167.80108.3D227 E229D227-K280 HydrophobicContact CB-CB 4.48Å; D227-K280 HydrophobicContact CB-CD 4.2Å; D227-K280 IonicContact OD2-NZ 2.61Å; E229-K280 HydrophobicContact CG-CG 4.38Å
281I74.9Confident65.8Low19 Ų19112.7 Ų112.710%0.09754%0.539CS..EExtended strand (participates in β ladder)trans-110.6140173.6-62.4176.7000108.8K228 V230 A235 K238 E283K228-I281 PolarHBondContact N-O 3.03Å; K228-I281 PolarHBondContact O-N 3.36Å; V230-I281 HydrophobicContact CG2-CB 4.31Å; V230-I281 HydrophobicContact CG2-CD1 3.23Å; V230-I281 HydrophobicContact CG2-CG1 3.69Å; A235-I281 HydrophobicContact CB-CD1 3.6Å; A235-I281 HydrophobicContact CB-CG1 4.31Å; K238-I281 HydrophobicContact CB-CD1 4.24Å; K238-I281 HydrophobicContact CD-CD1 4.08Å; K238-I281 HydrophobicContact CD-CG2 4.12Å; I281-E283 PolarHBondContact O-N 2.64Å
282K77.3Confident68.5Low128 Ų128103.7 Ų103.756%0.55750%0.5SS*.EExtended strand (participates in β ladder)trans-74.5110.6173-71176.2156.9-145.80109.4E225E225-K282 WeakPolarHBondContact OE2-CD 3.44Å; E225-K282 WeakPolarHBondContact OE2-CE 3.47Å; E225-K282 IonicContact OE2-NZ 2.8Å; E225-K282 PolarHBondContact OE2-NZ 2.93Å
283E81.4Confident71.1Confident36 Ų36102.8 Ų102.817%0.16849%0.488CS..EExtended strand (participates in β ladder)trans-97.7120.2173-173.2-178.5-120.900109R226 K228 I281R226-E283 HydrophobicContact CG-CB 4.31Å; R226-E283 IonicContact CZ-OE2 3.96Å; R226-E283 VanDerWaalsContact CZ-OE2 3.26Å; R226-E283 PolarHBondContact N-O 2.63Å; R226-E283 IonicContact NE-OE2 2.77Å; R226-E283 PolarHBondContact NE-OE2 3.34Å; R226-E283 IonicContact NH2-OE2 2.66Å; R226-E283 PolarHBondContact NH2-OE2 3.23Å; R226-E283 PolarHBondContact O-N 2.59Å; K228-E283 HydrophobicContact CB-CB 4.26Å; K228-E283 HydrophobicContact CD-CB 4.49Å; K228-E283 WeakPolarHBondContact CD-OE1 3.11Å; K228-E283 WeakPolarHBondContact CD-OE2 3.27Å; K228-E283 IonicContact NZ-OE1 2.85Å; K228-E283 PolarHBondContact NZ-OE1 3.47Å; K228-E283 IonicContact NZ-OE2 2.8Å; I281-E283 PolarHBondContact O-N 2.64Å
284K81.6Confident73.5Confident133 Ų133100.7 Ų100.758%0.57846%0.461SS*.EExtended strand (participates in β ladder)trans-73.1129.9170.9-73.8164.7159.4-136.40109.8E223 K224 E225E223-K284 HydrophobicContact CG-CB 4.43Å; E223-K284 WeakPolarHBondContact OE1-CD 3.48Å; E223-K284 VanDerWaalsContact OE1-CE 3.27Å; E223-K284 WeakPolarHBondContact OE1-CE 3.35Å; E223-K284 IonicContact OE1-NZ 2.74Å; E223-K284 PolarHBondContact OE1-NZ 3.43Å; K224-K284 CarbonylContact O-C 3.57Å; K224-K284 WeakPolarHBondContact O-CA 3.17Å; E225-K284 HydrophobicContact CG-CG 4.09Å
285Y86.1Confident76Confident75 Ų75100.4 Ų100.429%0.29445%0.451SS..EExtended strand (participates in β ladder)trans-136.9155.3174.571.3-78.9000109.9K224 R226 D287K224-Y285 HydrophobicContact CB-CD1 4.27Å; K224-Y285 HydrophobicContact CB-CE1 3.64Å; K224-Y285 HydrophobicContact CB-CE2 4.2Å; K224-Y285 PolarHBondContact N-O 3.47Å; K224-Y285 VanDerWaalsContact O-CD1 3.28Å; K224-Y285 WeakPolarHBondContact O-CD1 3.43Å; K224-Y285 PolarHBondContact O-N 3.14Å; R226-Y285 HydrophobicContact CB-CD1 4.13Å; R226-Y285 HydrophobicContact CB-CE1 3.73Å; R226-Y285 HydrophobicContact CG-CD1 3.77Å; R226-Y285 HydrophobicContact CG-CE1 3.89Å; Y285-D287 HydrophobicContact CD2-CB 4.44Å; Y285-D287 HydrophobicContact CE2-CB 3.87Å
286I86.3Confident78.5Confident110 Ų11092.2 Ų92.256%0.56442%0.418SS*.EExtended strand (participates in β ladder)trans-92.9116.4174.9-59.5175.5000108.2F221 V222F221-I286 HydrophobicContact CB-CG2 3.81Å; F221-I286 HydrophobicContact CD1-CG2 3.63Å; F221-I286 HydrophobicContact CG-CG2 4.02Å; V222-I286 CarbonylContact O-C 3.52Å; V222-I286 WeakPolarHBondContact O-CA 3.39Å
287D89Confident80.9Confident49 Ų4982.9 Ų82.926%0.26238%0.378SS..EExtended strand (participates in β ladder)trans-88.7133.1170.6-165.915.6000109.7V222 K224 Y285V222-D287 PolarHBondContact N-O 3.28Å; V222-D287 PolarHBondContact O-N 3.01Å; K224-D287 HydrophobicContact CD-CB 3.77Å; K224-D287 WeakPolarHBondContact CE-OD2 3.46Å; K224-D287 HydrophobicContact CG-CB 4.19Å; K224-D287 IonicContact NZ-OD2 2.73Å; K224-D287 PolarHBondContact NZ-OD2 3.38Å; Y285-D287 HydrophobicContact CD2-CB 4.44Å; Y285-D287 HydrophobicContact CE2-CB 3.87Å
288Q91.5Very high83.2Confident119 Ų11974.7 Ų74.756%0.55634%0.342SS*.EExtended strand (participates in β ladder)trans-100.889.3178.3-67.8-178.23.300108.7F221 E290F221-Q288 HydrophobicContact CD1-CG 4.47Å; F221-Q288 HydrophobicContact CD2-CG 4.27Å; F221-Q288 HydrophobicContact CE1-CG 4.14Å; F221-Q288 HydrophobicContact CE2-CG 3.92Å; F221-Q288 HydrophobicContact CZ-CG 3.85Å; F221-Q288 VanDerWaalsContact CZ-NE2 3.26Å; Q288-E290 PolarHBondContact O-N 2.54Å
289E92.3Very high85Confident40 Ų4070.8 Ų70.819%0.18733%0.33CS..EExtended strand (participates in β ladder)trans-86115.9-176.8-67-166.7-170.400111.8K204 T219 L220 K224 L291K204-E289 WeakPolarHBondContact CE-OE2 3.28Å; K204-E289 IonicContact NZ-OE1 2.64Å; K204-E289 IonicContact NZ-OE2 3.83Å; K204-E289 PolarHBondContact NZ-OE2 3.16Å; T219-E289 CarbonylContact C-O 3.58Å; T219-E289 VanDerWaalsContact CA-O 3.32Å; T219-E289 WeakPolarHBondContact CA-O 3.33Å; L220-E289 PolarHBondContact N-O 3.25Å; L220-E289 PolarHBondContact O-N 3.37Å; K224-E289 WeakPolarHBondContact CE-OE1 3.5Å; K224-E289 IonicContact NZ-OE1 3.82Å; K224-E289 PolarHBondContact NZ-OE1 3.38Å; E289-L291 PolarHBondContact O-N 3.35Å
290E92.8Very high86.5Confident84 Ų8470.9 Ų70.939%0.39333%0.328SS..EExtended strand (participates in β ladder)trans-70.5120.2170.1-173.4-174.2161.200110.9I218 Q288 K293I218-E290 WeakPolarHBondContact O-CA 3.34Å; Q288-E290 PolarHBondContact O-N 2.54Å; E290-K293 HydrophobicContact CB-CG 4.22Å; E290-K293 HydrophobicContact CG-CG 3.99Å; E290-K293 VanDerWaalsContact O-CE 3.28Å; E290-K293 WeakPolarHBondContact O-CE 3.41Å
291L92.2Very high87.7Confident39 Ų3968.4 Ų68.420%0.20432%0.321CS..SBendtrans-89.4-29.6-172.6-61.6-171.4000113.7L80 K204 V207 I218 L220 E289L80-L291 HydrophobicContact CD1-CD1 4.34Å; K204-L291 HydrophobicContact CG-CD2 3.85Å; V207-L291 HydrophobicContact CB-CD1 3.8Å; V207-L291 HydrophobicContact CG1-CB 3.74Å; V207-L291 HydrophobicContact CG1-CD1 3.75Å; V207-L291 HydrophobicContact CG1-CG 4.43Å; V207-L291 HydrophobicContact CG2-CD1 3.79Å; I218-L291 HydrophobicContact CG2-CD1 4.49Å; I218-L291 PolarHBondContact O-N 2.97Å; L220-L291 HydrophobicContact CB-CD1 3.92Å; L220-L291 HydrophobicContact CB-CD2 4.07Å; L220-L291 HydrophobicContact CB-CG 4.07Å; E289-L291 PolarHBondContact O-N 3.35Å
292N89.6Confident88.7Confident11 Ų1170.2 Ų70.26%0.05933%0.334CS..  trans-109.943.2-171.266.5-39.3000113.6Q212 I214 Y216 I218 T294Q212-N292 WeakPolarHBondContact O-CB 3.46Å; I214-N292 PolarHBondContact O-ND2 2.95Å; Y216-N292 PolarHBondContact O-ND2 3.21Å; I218-N292 HydrophobicContact CD1-CB 4.41Å; I218-N292 PolarHBondContact N-OD1 3.44Å; N292-T294 PolarHBondContact O-N 3.45Å; N292-T294 VanDerWaalsContact O-N 3.09Å
293K86.3Confident89.5Confident148 Ų14871 Ų7164%0.64334%0.344SS*.  trans-60-22.1179.5-61.9179.7-179.6177.70114.2E290 K295E290-K293 HydrophobicContact CB-CG 4.22Å; E290-K293 HydrophobicContact CG-CG 3.99Å; E290-K293 VanDerWaalsContact O-CE 3.28Å; E290-K293 WeakPolarHBondContact O-CE 3.41Å; K293-K295 PolarHBondContact O-N 2.66Å
294T82.2Confident90.2Very high32 Ų3274.4 Ų74.420%0.19636%0.363CS..SBendtrans-78.5109.2-178.7-51.40000110.4F213 N292 F313 S316F213-T294 HydrophobicContact CE1-CG2 3.89Å; N292-T294 PolarHBondContact O-N 3.45Å; N292-T294 VanDerWaalsContact O-N 3.09Å; T294-F313 HydrophobicContact CG2-CD2 3.89Å; T294-F313 HydrophobicContact CG2-CE2 4.28Å; T294-S316 PolarHBondContact OG1-OG 3.16Å
295K86.2Confident90.8Very high159 Ų15968.8 Ų68.869%0.69134%0.34SS*.  trans-77.1146.4179.4-63.3-176.5-179.4179.30111.8K293 I297K293-K295 PolarHBondContact O-N 2.66Å; K295-I297 PolarHBondContact O-N 3.03Å
296P89.2Confident91.3Very high19 Ų1968.4 Ų68.412%0.12335%0.345CS..  trans-72.799.117928.3-33.6000111.3F213 W298 T299F213-P296 HydrophobicContact CB-CB 4.26Å; F213-P296 HydrophobicContact CD1-CB 4.15Å; F213-P296 HydrophobicContact CG-CB 4.48Å; P296-W298 VanDerWaalsContact C-N 3.31Å; P296-W298 HydrophobicContact CB-CD2 4.18Å; P296-W298 HydrophobicContact CB-CE3 4.27Å; P296-W298 HydrophobicContact CB-CH2 3.8Å; P296-W298 HydrophobicContact CB-CZ2 3.66Å; P296-W298 HydrophobicContact CB-CZ3 4.07Å; P296-W298 PolarHBondContact O-N 3.14Å; P296-T299 HydrophobicContact CB-CG2 3.95Å; P296-T299 HydrophobicContact CG-CG2 4.05Å; P296-T299 PolarHBondContact O-N 3.36Å; P296-T299 PolarHBondContact O-OG1 3Å
297I93Very high91.7Very high12 Ų1267.8 Ų67.86%0.06234%0.343CS..G310 helixtrans-63.4-33.5-174.9-62.5-62.7000112.8K295 T299 R300 I305 Y310 F313 L341K295-I297 PolarHBondContact O-N 3.03Å; I297-T299 PolarHBondContact O-N 2.94Å; I297-T299 VanDerWaalsContact O-N 3.13Å; I297-R300 PolarHBondContact O-N 2.85Å; I297-I305 HydrophobicContact CG2-CD1 3.72Å; I297-I305 HydrophobicContact CG2-CG1 4.35Å; I297-I305 HydrophobicContact CG2-CG2 3.84Å; I297-I305 WeakPolarHBondContact O-CD1 3.36Å; I297-Y310 HydrophobicContact CG2-CD1 3.81Å; I297-Y310 HydrophobicContact CG2-CE1 3.53Å; I297-F313 HydrophobicContact CB-CD2 4.19Å; I297-F313 HydrophobicContact CB-CG 4.31Å; I297-F313 HydrophobicContact CG1-CB 3.71Å; I297-F313 HydrophobicContact CG1-CD2 3.53Å; I297-F313 HydrophobicContact CG1-CE2 4.33Å; I297-F313 HydrophobicContact CG1-CG 3.68Å; I297-L341 HydrophobicContact CB-CD1 3.85Å; I297-L341 HydrophobicContact CG2-CD1 3.97Å
298W93.9Very high92Very high2 Ų271.7 Ų71.71%0.00836%0.36CS..G310 helixtrans-67.6-13.2-178.363.187.6000114.5F213 P296 F313 H329 R339 L341 R368 V389 D391F213-W298 HydrophobicContact CB-CH2 4.03Å; F213-W298 HydrophobicContact CB-CZ2 4.31Å; F213-W298 AromaticContact CD1-CH2 3.74Å; F213-W298 HydrophobicContact CD1-CH2 3.74Å; F213-W298 HydrophobicContact CD1-CZ3 4.14Å; F213-W298 AromaticContact CD2-CH2 3.47Å; F213-W298 HydrophobicContact CD2-CH2 3.47Å; F213-W298 VanDerWaalsContact CD2-CH2 3.47Å; F213-W298 HydrophobicContact CD2-CZ2 4.35Å; F213-W298 HydrophobicContact CD2-CZ3 4.31Å; F213-W298 AromaticContact CE1-CH2 3.99Å; F213-W298 HydrophobicContact CE1-CH2 3.99Å; F213-W298 HydrophobicContact CE1-CZ3 4Å; F213-W298 AromaticContact CE2-CH2 3.71Å; F213-W298 HydrophobicContact CE2-CH2 3.71Å; F213-W298 HydrophobicContact CE2-CZ3 4.14Å; F213-W298 AromaticContact CG-CH2 3.45Å; F213-W298 HydrophobicContact CG-CH2 3.45Å; F213-W298 VanDerWaalsContact CG-CH2 3.45Å; F213-W298 HydrophobicContact CG-CZ2 4.21Å; F213-W298 HydrophobicContact CG-CZ3 4.28Å; F213-W298 AromaticContact CZ-CH2 3.97Å; F213-W298 HydrophobicContact CZ-CH2 3.97Å; F213-W298 AromaticContact CZ-CZ3 3.99Å; F213-W298 HydrophobicContact CZ-CZ3 3.99Å; P296-W298 VanDerWaalsContact C-N 3.31Å; P296-W298 HydrophobicContact CB-CD2 4.18Å; P296-W298 HydrophobicContact CB-CE3 4.27Å; P296-W298 HydrophobicContact CB-CH2 3.8Å; P296-W298 HydrophobicContact CB-CZ2 3.66Å; P296-W298 HydrophobicContact CB-CZ3 4.07Å; P296-W298 PolarHBondContact O-N 3.14Å; W298-F313 HydrophobicContact CE3-CE2 4.25Å; W298-F313 AromaticContact CE3-CZ 3.98Å; W298-F313 HydrophobicContact CE3-CZ 3.98Å; W298-F313 AromaticContact CZ3-CE2 3.74Å; W298-F313 HydrophobicContact CZ3-CE2 3.74Å; W298-F313 AromaticContact CZ3-CZ 3.59Å; W298-F313 HydrophobicContact CZ3-CZ 3.59Å; W298-H329 WeakPolarHBondContact CA-NE2 3.46Å; W298-H329 PolarHBondContact O-NE2 3.27Å; W298-R339 HydrophobicContact CB-CB 4.29Å; W298-R339 WeakPolarHBondContact O-CD 3.43Å; W298-R339 PolarHBondContact O-NH1 2.88Å; W298-L341 HydrophobicContact CB-CD1 4.07Å; W298-L341 HydrophobicContact CB-CG 4.03Å; W298-L341 HydrophobicContact CE3-CD1 4.18Å; W298-R368 HydrophobicContact CZ2-CG 4.39Å; W298-V389 HydrophobicContact CD2-CG1 4.24Å; W298-V389 HydrophobicContact CE3-CB 4.33Å; W298-V389 HydrophobicContact CE3-CG1 3.93Å; W298-V389 HydrophobicContact CH2-CG1 3.79Å; W298-V389 HydrophobicContact CZ2-CG1 4.13Å; W298-V389 HydrophobicContact CZ3-CB 4.22Å; W298-V389 HydrophobicContact CZ3-CG1 3.72Å; W298-V389 HydrophobicContact CZ3-CG2 4.27Å; W298-D391 HydrophobicContact CZ2-CB 4.13Å; W298-D391 PolarHBondContact NE1-OD2 3.08Å
299T90.6Very high92.1Very high56 Ų5668.5 Ų68.534%0.34435%0.345SS..G310 helixtrans-80.8-21177.962.90000112.6P296 I297 R339P296-T299 HydrophobicContact CB-CG2 3.95Å; P296-T299 HydrophobicContact CG-CG2 4.05Å; P296-T299 PolarHBondContact O-N 3.36Å; P296-T299 PolarHBondContact O-OG1 3Å; I297-T299 PolarHBondContact O-N 2.94Å; I297-T299 VanDerWaalsContact O-N 3.13Å; T299-R339 VanDerWaalsContact C-NH1 3.29Å; T299-R339 PolarHBondContact O-NH1 3.49Å
300R93.2Very high92.4Very high84 Ų8467.5 Ų67.532%0.31734%0.339SS..SBendtrans-84.9159.3178.6-71.1167.358.9-176.8-2.2110.9I297 D304 I305 E309 H329I297-R300 PolarHBondContact O-N 2.85Å; R300-D304 PolarHBondContact NH2-O 3.4Å; R300-I305 HydrophobicContact CB-CD1 3.83Å; R300-I305 HydrophobicContact CB-CG1 4.01Å; R300-E309 IonicContact CZ-OE1 3.74Å; R300-E309 IonicContact NH1-OE1 3.22Å; R300-E309 PolarHBondContact NH1-OE1 2.95Å; R300-E309 IonicContact NH2-OE1 3.66Å; R300-E309 PolarHBondContact NH2-OE1 2.66Å; R300-E309 IonicContact NH2-OE2 3.85Å; R300-E309 PolarHBondContact NH2-OE2 3.06Å; R300-H329 PolarHBondContact O-CE1 2.68Å
301N93Very high92.5Very high81 Ų8163.6 Ų63.643%0.43332%0.322SS..  trans-63.5127.4172.1-175.8-4.7000109.7D303 D304 I305N301-D303 PolarHBondContact O-N 2.97Å; N301-D303 VanDerWaalsContact O-N 3.12Å; N301-D303 PolarHBondContact OD1-N 2.72Å; N301-D304 HydrophobicContact CB-CB 4.5Å; N301-D304 WeakPolarHBondContact CB-OD2 3.26Å; N301-D304 PolarHBondContact O-N 2.75Å; N301-I305 WeakPolarHBondContact O-CD1 3.25Å; N301-I305 WeakPolarHBondContact O-CG1 3.35Å
302P94.4Very high92.6Very high58 Ų5868.3 Ų68.338%0.37734%0.343SS..G310 helixtrans-47.3-36.7176.4-28.932.4000115.1D304 I305 H329P302-D304 VanDerWaalsContact C-N 3.28Å; P302-D304 PolarHBondContact O-N 3.11Å; P302-I305 PolarHBondContact O-N 3.26Å; P302-H329 HydrophobicContact CB-CB 4.48Å; P302-H329 HydrophobicContact CG-CB 4.48Å
303D94.7Very high92.8Very high143 Ų14368.1 Ų68.177%0.76534%0.341SS*.G310 helixtrans-71.9-20.5-176.1-63.6-25.7000113.4N301N301-D303 PolarHBondContact O-N 2.97Å; N301-D303 VanDerWaalsContact O-N 3.12Å; N301-D303 PolarHBondContact OD1-N 2.72Å
304D95.2Very high93.3Very high108 Ų10861.2 Ų61.258%0.57831%0.311SS*.G310 helixtrans-9812.3-178.6-61.6-42.3000112.4R300 N301 P302R300-D304 PolarHBondContact NH2-O 3.4Å; N301-D304 HydrophobicContact CB-CB 4.5Å; N301-D304 WeakPolarHBondContact CB-OD2 3.26Å; N301-D304 PolarHBondContact O-N 2.75Å; P302-D304 VanDerWaalsContact C-N 3.28Å; P302-D304 PolarHBondContact O-N 3.11Å
305I95.7Very high93.8Very high16 Ų1663 Ų638%0.08232%0.316CS..  trans-117.7122.8-176.2-55.9158.7000109.3I297 R300 N301 P302 E309 Y310I297-I305 HydrophobicContact CG2-CD1 3.72Å; I297-I305 HydrophobicContact CG2-CG1 4.35Å; I297-I305 HydrophobicContact CG2-CG2 3.84Å; I297-I305 WeakPolarHBondContact O-CD1 3.36Å; R300-I305 HydrophobicContact CB-CD1 3.83Å; R300-I305 HydrophobicContact CB-CG1 4.01Å; N301-I305 WeakPolarHBondContact O-CD1 3.25Å; N301-I305 WeakPolarHBondContact O-CG1 3.35Å; P302-I305 PolarHBondContact O-N 3.26Å; I305-E309 HydrophobicContact CG2-CB 3.98Å; I305-Y310 HydrophobicContact CB-CE1 4.48Å; I305-Y310 HydrophobicContact CB-CE2 3.76Å; I305-Y310 HydrophobicContact CD1-CE1 4.3Å; I305-Y310 WeakPolarHBondContact CD1-OH 3.26Å; I305-Y310 HydrophobicContact CG2-CD1 4.11Å; I305-Y310 HydrophobicContact CG2-CD2 3.72Å; I305-Y310 HydrophobicContact CG2-CE1 3.81Å; I305-Y310 HydrophobicContact CG2-CE2 3.4Å; I305-Y310 HydrophobicContact CG2-CG 4.06Å; I305-Y310 VanDerWaalsContact CG2-CZ 3.45Å
306T96.1Very high93.9Very high67 Ų6757 Ų5741%0.41129%0.294SS..  trans-78.8160177.761.50000111.9E308 E309 Y310T306-E308 WeakPolarHBondContact CB-OE2 3.45Å; T306-E308 PolarHBondContact O-N 3.37Å; T306-E309 PolarHBondContact N-OE2 3.36Å; T306-E309 PolarHBondContact O-N 3.3Å; T306-E309 VanDerWaalsContact OG1-CG 3.26Å; T306-E309 WeakPolarHBondContact OG1-CG 3.48Å; T306-E309 PolarHBondContact OG1-N 3.46Å; T306-E309 PolarHBondContact OG1-OE2 2.98Å; T306-Y310 VanDerWaalsContact O-CD2 3.24Å; T306-Y310 WeakPolarHBondContact O-CD2 3.45Å; T306-Y310 PolarHBondContact O-N 2.73Å
307N94.7Very high94Very high96 Ų9656.6 Ų56.651%0.51329%0.291SS..Hα-helixtrans-67.2-29.2177.6-170.166.8000112Y310 G311 H324N307-Y310 PolarHBondContact O-N 2.99Å; N307-G311 PolarHBondContact O-N 2.86Å; N307-H324 PolarHBondContact OD1-CE1 3.16Å
308E94.9Very high93.8Very high132 Ų13257.5 Ų57.562%0.61730%0.297SS*.Hα-helixtrans-61.7-45.2173.4-66.272-159.500111.3T306 Y310 G311 E312T306-E308 WeakPolarHBondContact CB-OE2 3.45Å; T306-E308 PolarHBondContact O-N 3.37Å; E308-Y310 PolarHBondContact O-N 2.97Å; E308-G311 PolarHBondContact O-N 3.32Å; E308-G311 VanDerWaalsContact O-N 3.16Å; E308-E312 PolarHBondContact O-N 3.39Å
309E95Very high93.5Very high52 Ų5263 Ų6324%0.24333%0.327CS..Hα-helixtrans-64.5-38.9176.8-72170.3108.400112.1R300 I305 T306 G311 F313R300-E309 IonicContact CZ-OE1 3.74Å; R300-E309 IonicContact NH1-OE1 3.22Å; R300-E309 PolarHBondContact NH1-OE1 2.95Å; R300-E309 IonicContact NH2-OE1 3.66Å; R300-E309 PolarHBondContact NH2-OE1 2.66Å; R300-E309 IonicContact NH2-OE2 3.85Å; R300-E309 PolarHBondContact NH2-OE2 3.06Å; I305-E309 HydrophobicContact CG2-CB 3.98Å; T306-E309 PolarHBondContact N-OE2 3.36Å; T306-E309 PolarHBondContact O-N 3.3Å; T306-E309 VanDerWaalsContact OG1-CG 3.26Å; T306-E309 WeakPolarHBondContact OG1-CG 3.48Å; T306-E309 PolarHBondContact OG1-N 3.46Å; T306-E309 PolarHBondContact OG1-OE2 2.98Å; E309-G311 VanDerWaalsContact C-N 3.35Å; E309-F313 WeakPolarHBondContact O-CB 3.26Å; E309-F313 PolarHBondContact O-N 2.9Å
310Y96.7Very high93.6Very high18 Ų1862.3 Ų62.37%0.07132%0.321CS..Hα-helixtrans-63.7-40171.9-74.2-60.8000112.1I297 I305 T306 N307 E308 F313 Y314 V327 H329 L341 F343I297-Y310 HydrophobicContact CG2-CD1 3.81Å; I297-Y310 HydrophobicContact CG2-CE1 3.53Å; I305-Y310 HydrophobicContact CB-CE1 4.48Å; I305-Y310 HydrophobicContact CB-CE2 3.76Å; I305-Y310 HydrophobicContact CD1-CE1 4.3Å; I305-Y310 WeakPolarHBondContact CD1-OH 3.26Å; I305-Y310 HydrophobicContact CG2-CD1 4.11Å; I305-Y310 HydrophobicContact CG2-CD2 3.72Å; I305-Y310 HydrophobicContact CG2-CE1 3.81Å; I305-Y310 HydrophobicContact CG2-CE2 3.4Å; I305-Y310 HydrophobicContact CG2-CG 4.06Å; I305-Y310 VanDerWaalsContact CG2-CZ 3.45Å; T306-Y310 VanDerWaalsContact O-CD2 3.24Å; T306-Y310 WeakPolarHBondContact O-CD2 3.45Å; T306-Y310 PolarHBondContact O-N 2.73Å; N307-Y310 PolarHBondContact O-N 2.99Å; E308-Y310 PolarHBondContact O-N 2.97Å; Y310-F313 PolarHBondContact O-N 3.21Å; Y310-Y314 WeakPolarHBondContact O-CB 3.42Å; Y310-Y314 PolarHBondContact O-N 2.81Å; Y310-V327 HydrophobicContact CD1-CG2 4.02Å; Y310-V327 HydrophobicContact CD2-CG1 4.19Å; Y310-V327 HydrophobicContact CE1-CG2 4.39Å; Y310-V327 HydrophobicContact CG-CG1 4.18Å; Y310-V327 HydrophobicContact CG-CG2 4.32Å; Y310-H329 HydrophobicContact CE1-CB 4.42Å; Y310-H329 AromaticContact CZ-ND1 3.9Å; Y310-H329 PolarHBondContact OH-ND1 3.4Å; Y310-L341 HydrophobicContact CD1-CD2 4.24Å; Y310-L341 HydrophobicContact CE1-CD2 3.6Å; Y310-F343 HydrophobicContact CD1-CZ 4.48Å
311G95.8Very high93.6Very high2 Ų267.4 Ų67.42%0.02134%0.341CS..Hα-helixtrans-62.6-48.9176.600000112.8N307 E308 E309 F313 Y314 K315 D323N307-G311 PolarHBondContact O-N 2.86Å; E308-G311 PolarHBondContact O-N 3.32Å; E308-G311 VanDerWaalsContact O-N 3.16Å; E309-G311 VanDerWaalsContact C-N 3.35Å; G311-F313 VanDerWaalsContact C-N 3.33Å; G311-F313 PolarHBondContact O-N 3.35Å; G311-Y314 PolarHBondContact O-N 2.96Å; G311-K315 WeakPolarHBondContact O-CG 3.12Å; G311-K315 PolarHBondContact O-N 3.47Å; G311-D323 WeakPolarHBondContact CA-OD1 3.34Å
312E93.9Very high93.7Very high139 Ų13965.7 Ų65.765%0.6533%0.33SS*.Hα-helixtrans-60.2-42.8175.6-72.2-174.6172.300112E308 K315 S316E308-E312 PolarHBondContact O-N 3.39Å; E312-K315 PolarHBondContact O-N 3.24Å; E312-S316 WeakPolarHBondContact O-CB 3.3Å; E312-S316 PolarHBondContact O-N 3Å
313F94.5Very high93.7Very high6 Ų665.8 Ų65.83%0.02633%0.327CS..Hα-helixtrans-63.3-44.2175.5177.3-90.3000112F213 T294 I297 W298 E309 Y310 G311 K315 S316 L317 L341 F343 V389F213-F313 AromaticContact CE1-CE2 3.62Å; F213-F313 HydrophobicContact CE1-CE2 3.62Å; F213-F313 HydrophobicContact CE1-CZ 4.39Å; F213-F313 AromaticContact CZ-CE2 3.77Å; F213-F313 HydrophobicContact CZ-CE2 3.77Å; F213-F313 HydrophobicContact CZ-CZ 4.12Å; T294-F313 HydrophobicContact CG2-CD2 3.89Å; T294-F313 HydrophobicContact CG2-CE2 4.28Å; I297-F313 HydrophobicContact CB-CD2 4.19Å; I297-F313 HydrophobicContact CB-CG 4.31Å; I297-F313 HydrophobicContact CG1-CB 3.71Å; I297-F313 HydrophobicContact CG1-CD2 3.53Å; I297-F313 HydrophobicContact CG1-CE2 4.33Å; I297-F313 HydrophobicContact CG1-CG 3.68Å; W298-F313 HydrophobicContact CE3-CE2 4.25Å; W298-F313 AromaticContact CE3-CZ 3.98Å; W298-F313 HydrophobicContact CE3-CZ 3.98Å; W298-F313 AromaticContact CZ3-CE2 3.74Å; W298-F313 HydrophobicContact CZ3-CE2 3.74Å; W298-F313 AromaticContact CZ3-CZ 3.59Å; W298-F313 HydrophobicContact CZ3-CZ 3.59Å; E309-F313 WeakPolarHBondContact O-CB 3.26Å; E309-F313 PolarHBondContact O-N 2.9Å; Y310-F313 PolarHBondContact O-N 3.21Å; G311-F313 VanDerWaalsContact C-N 3.33Å; G311-F313 PolarHBondContact O-N 3.35Å; F313-K315 PolarHBondContact O-N 2.75Å; F313-S316 PolarHBondContact O-N 3Å; F313-L317 HydrophobicContact CE1-CB 4.37Å; F313-L317 HydrophobicContact CE1-CD2 3.99Å; F313-L317 VanDerWaalsContact O-CB 3.28Å; F313-L317 WeakPolarHBondContact O-CB 3.19Å; F313-L317 PolarHBondContact O-N 2.8Å; F313-L341 HydrophobicContact CD1-CD1 4.23Å; F313-L341 HydrophobicContact CE1-CD1 3.88Å; F313-L341 HydrophobicContact CZ-CD1 4.3Å; F313-F343 AromaticContact CD1-CE2 3.92Å; F313-F343 HydrophobicContact CD1-CE2 3.92Å; F313-F343 AromaticContact CD1-CZ 3.67Å; F313-F343 HydrophobicContact CD1-CZ 3.67Å; F313-F343 AromaticContact CE1-CE2 3.86Å; F313-F343 HydrophobicContact CE1-CE2 3.86Å; F313-F343 HydrophobicContact CE1-CZ 4.07Å; F313-V389 HydrophobicContact CZ-CG2 4.08Å
314Y95.7Very high93.9Very high3 Ų359.3 Ų59.31%0.01229%0.292CS..Hα-helixtrans-58.9-47.4176.8169.5-99000111.9Y310 G311 S316 L317 T318 D320 E322 H324 F343 P345 R387Y310-Y314 WeakPolarHBondContact O-CB 3.42Å; Y310-Y314 PolarHBondContact O-N 2.81Å; G311-Y314 PolarHBondContact O-N 2.96Å; Y314-S316 PolarHBondContact O-N 3.49Å; Y314-L317 PolarHBondContact O-N 3.48Å; Y314-T318 HydrophobicContact CD2-CG2 3.9Å; Y314-T318 HydrophobicContact CE2-CG2 3.66Å; Y314-T318 WeakPolarHBondContact O-CB 3.32Å; Y314-T318 WeakPolarHBondContact O-CG2 3.26Å; Y314-T318 PolarHBondContact O-N 3.15Å; Y314-T318 PolarHBondContact O-OG1 3.05Å; Y314-D320 HydrophobicContact CE1-CB 3.69Å; Y314-D320 WeakPolarHBondContact CE1-OD2 3.37Å; Y314-D320 PolarHBondContact OH-OD2 3.43Å; Y314-E322 VanDerWaalsContact CE1-O 3.31Å; Y314-E322 WeakPolarHBondContact CE1-O 3.44Å; Y314-H324 HydrophobicContact CD1-CB 4.04Å; Y314-H324 HydrophobicContact CD2-CB 3.95Å; Y314-H324 HydrophobicContact CE1-CB 4.29Å; Y314-H324 HydrophobicContact CE2-CB 4.18Å; Y314-H324 HydrophobicContact CG-CB 3.88Å; Y314-F343 HydrophobicContact CD2-CB 3.63Å; Y314-F343 AromaticContact CD2-CD1 3.81Å; Y314-F343 HydrophobicContact CD2-CD1 3.81Å; Y314-F343 HydrophobicContact CD2-CD2 4.29Å; Y314-F343 AromaticContact CD2-CG 3.65Å; Y314-F343 HydrophobicContact CD2-CG 3.65Å; Y314-F343 HydrophobicContact CE2-CB 3.9Å; Y314-F343 HydrophobicContact CE2-CG 4.42Å; Y314-F343 HydrophobicContact CG-CD1 4.21Å; Y314-F343 HydrophobicContact CG-CG 4.47Å; Y314-P345 WeakPolarHBondContact OH-CB 3.31Å; Y314-R387 HydrophobicContact CE2-CB 4.35Å; Y314-R387 HydrophobicContact CE2-CG 4.46Å
315K93.5Very high94Very high69 Ų6954.9 Ų54.930%0.327%0.269SS..Hα-helixtrans-59.4-45.7176.9-71.4167.9167.7151.90111.3G311 E312 F313 L317 N319 D320 W321 D323G311-K315 WeakPolarHBondContact O-CG 3.12Å; G311-K315 PolarHBondContact O-N 3.47Å; E312-K315 PolarHBondContact O-N 3.24Å; F313-K315 PolarHBondContact O-N 2.75Å; K315-L317 PolarHBondContact O-N 3.34Å; K315-N319 VanDerWaalsContact O-CA 3.24Å; K315-N319 WeakPolarHBondContact O-CA 3.38Å; K315-N319 PolarHBondContact O-N 3.12Å; K315-D320 WeakPolarHBondContact CA-O 3.42Å; K315-D320 WeakPolarHBondContact CB-O 3.47Å; K315-D320 WeakPolarHBondContact CG-O 3.16Å; K315-W321 WeakPolarHBondContact CE-O 2.93Å; K315-D323 WeakPolarHBondContact CE-OD1 3.42Å; K315-D323 IonicContact NZ-OD1 2.69Å; K315-D323 PolarHBondContact NZ-OD1 3.49Å; K315-D323 IonicContact NZ-OD2 3.62Å; K315-D323 PolarHBondContact NZ-OD2 3.37Å; K315-D323 VanDerWaalsContact NZ-OD2 3.1Å
316S89.1Confident94.1Very high33 Ų3354.7 Ų54.723%0.23127%0.269CS..Hα-helixtrans-63.2-40.9176.2-177.90000112.9Q212 T294 E312 F313 Y314Q212-S316 PolarHBondContact NE2-OG 3.42Å; T294-S316 PolarHBondContact OG1-OG 3.16Å; E312-S316 WeakPolarHBondContact O-CB 3.3Å; E312-S316 PolarHBondContact O-N 3Å; F313-S316 PolarHBondContact O-N 3Å; Y314-S316 PolarHBondContact O-N 3.49Å
317L89.8Confident94.2Very high12 Ų1253 Ų536%0.06326%0.259CS..Hα-helixtrans-67.9-42-178.3177.666.3000112.6F313 Y314 K315 F343 K363 V389F313-L317 HydrophobicContact CE1-CB 4.37Å; F313-L317 HydrophobicContact CE1-CD2 3.99Å; F313-L317 VanDerWaalsContact O-CB 3.28Å; F313-L317 WeakPolarHBondContact O-CB 3.19Å; F313-L317 PolarHBondContact O-N 2.8Å; Y314-L317 PolarHBondContact O-N 3.48Å; K315-L317 PolarHBondContact O-N 3.34Å; L317-F343 HydrophobicContact CD2-CE2 4.48Å; L317-K363 HydrophobicContact CD1-CD 4.13Å; L317-V389 HydrophobicContact CD1-CG2 3.77Å; L317-V389 HydrophobicContact CD2-CG2 3.98Å
318T89.8Confident94.3Very high30 Ų3050 Ų5018%0.18424%0.241CC..Hα-helixtrans-103.9-17.3-167.562.10000113.9Y314 D320 R387Y314-T318 HydrophobicContact CD2-CG2 3.9Å; Y314-T318 HydrophobicContact CE2-CG2 3.66Å; Y314-T318 WeakPolarHBondContact O-CB 3.32Å; Y314-T318 WeakPolarHBondContact O-CG2 3.26Å; Y314-T318 PolarHBondContact O-N 3.15Å; Y314-T318 PolarHBondContact O-OG1 3.05Å; T318-D320 PolarHBondContact O-N 3.37Å; T318-D320 WeakPolarHBondContact OG1-CB 3.43Å; T318-D320 PolarHBondContact OG1-N 3.38Å; T318-D320 VanDerWaalsContact OG1-N 3.13Å; T318-R387 HydrophobicContact CG2-CB 3.92Å; T318-R387 HydrophobicContact CG2-CG 3.83Å
319N88.1Confident94.5Very high117 Ų11745.1 Ų45.163%0.62622%0.218SC*.  trans5722.6-164-42.1-71.4000113.2K208 K315K208-N319 PolarHBondContact NZ-OD1 2.94Å; K315-N319 VanDerWaalsContact O-CA 3.24Å; K315-N319 WeakPolarHBondContact O-CA 3.38Å; K315-N319 PolarHBondContact O-N 3.12Å
320D92.6Very high94.5Very high42 Ų4243.3 Ų43.323%0.22521%0.21CC..  trans-73.9140.6165.5-165.5-9.7000108.9Y314 K315 T318 E322Y314-D320 HydrophobicContact CE1-CB 3.69Å; Y314-D320 WeakPolarHBondContact CE1-OD2 3.37Å; Y314-D320 PolarHBondContact OH-OD2 3.43Å; K315-D320 WeakPolarHBondContact CA-O 3.42Å; K315-D320 WeakPolarHBondContact CB-O 3.47Å; K315-D320 WeakPolarHBondContact CG-O 3.16Å; T318-D320 PolarHBondContact O-N 3.37Å; T318-D320 WeakPolarHBondContact OG1-CB 3.43Å; T318-D320 PolarHBondContact OG1-N 3.38Å; T318-D320 VanDerWaalsContact OG1-N 3.13Å; D320-E322 PolarHBondContact OD1-N 2.78Å
321W92.2Very high94.5Very high192 Ų19245.5 Ų45.573%0.72723%0.228SC*.SBendtrans-90.3-19.2177.161-90000111.7K315K315-W321 WeakPolarHBondContact CE-O 2.93Å
322E94.6Very high94.4Very high44 Ų4446.9 Ų46.921%0.20624%0.236CC..SBendtrans-87.1153.6174.8-149.7178.2166.300110.3Y314 D320 R346 R347Y314-E322 VanDerWaalsContact CE1-O 3.31Å; Y314-E322 WeakPolarHBondContact CE1-O 3.44Å; D320-E322 PolarHBondContact OD1-N 2.78Å; E322-R346 WeakPolarHBondContact OE1-CD 3.49Å; E322-R347 IonicContact OE2-CZ 4Å; E322-R347 IonicContact OE2-NE 3.43Å; E322-R347 PolarHBondContact OE2-NE 3.24Å; E322-R347 IonicContact OE2-NH2 2.82Å; E322-R347 PolarHBondContact OE2-NH2 3.38Å
323D96.3Very high94.2Very high61 Ų6148 Ų4833%0.32624%0.241SC..PPolyproline II helixtrans-72.6159.9171.3-71.9-49000111.3G311 K315 R346G311-D323 WeakPolarHBondContact CA-OD1 3.34Å; K315-D323 WeakPolarHBondContact CE-OD1 3.42Å; K315-D323 IonicContact NZ-OD1 2.69Å; K315-D323 PolarHBondContact NZ-OD1 3.49Å; K315-D323 IonicContact NZ-OD2 3.62Å; K315-D323 PolarHBondContact NZ-OD2 3.37Å; K315-D323 VanDerWaalsContact NZ-OD2 3.1Å; D323-R346 WeakPolarHBondContact O-CD 3.36Å; D323-R346 VanDerWaalsContact O-CG 3.26Å; D323-R346 WeakPolarHBondContact O-CG 3.41Å; D323-R346 PolarHBondContact O-NE 2.97Å; D323-R346 VanDerWaalsContact O-NE 3.1Å
324H97.5Very high93.7Very high6 Ų650 Ų503%0.02826%0.263CS..PPolyproline II helixtrans-62.5157.7172.263.778.8000111.9N307 Y314 A326 F343 R346N307-H324 PolarHBondContact OD1-CE1 3.16Å; Y314-H324 HydrophobicContact CD1-CB 4.04Å; Y314-H324 HydrophobicContact CD2-CB 3.95Å; Y314-H324 HydrophobicContact CE1-CB 4.29Å; Y314-H324 HydrophobicContact CE2-CB 4.18Å; Y314-H324 HydrophobicContact CG-CB 3.88Å; H324-A326 PolarHBondContact ND1-N 2.99Å; H324-F343 HydrophobicContact CB-CB 4.35Å; H324-F343 HydrophobicContact CB-CD1 3.88Å; H324-F343 AromaticContact CD2-CD1 3.52Å; H324-F343 AromaticContact CD2-CE1 3.65Å; H324-F343 AromaticContact CG-CD1 3.69Å; H324-R346 PolarHBondContact O-NE 2.85Å; H324-R346 PolarHBondContact O-NH2 3.28Å
325L97.5Very high92.9Very high16 Ų1659.3 Ų59.38%0.08431%0.307CS..SBendtrans-77.7-42.4171-17661.7000110.7V344 R346 N434 F438L325-V344 HydrophobicContact CB-CB 4.45Å; L325-V344 HydrophobicContact CB-CG1 4.21Å; L325-V344 WeakPolarHBondContact CB-O 3.5Å; L325-V344 HydrophobicContact CD2-CG1 4.14Å; L325-V344 PolarHBondContact N-O 3.17Å; L325-R346 HydrophobicContact CB-CG 3.87Å; L325-R346 HydrophobicContact CD1-CG 4.35Å; L325-N434 HydrophobicContact CD1-CB 4.28Å; L325-F438 HydrophobicContact CD2-CB 3.62Å; L325-F438 HydrophobicContact CD2-CD2 4.33Å; L325-F438 HydrophobicContact CD2-CG 4.45Å
326A97.8Very high92.6Very high11 Ų1157.2 Ų57.29%0.09130%0.299CS..EExtended strand (participates in β ladder)trans-153.4153.4-176.900000110.8H324 F343 V344 L424 L428H324-A326 PolarHBondContact ND1-N 2.99Å; A326-F343 WeakPolarHBondContact O-CA 3.4Å; A326-V344 HydrophobicContact CB-CB 4.16Å; A326-V344 HydrophobicContact CB-CG2 4.32Å; A326-V344 PolarHBondContact N-O 3.27Å; A326-V344 PolarHBondContact O-N 3.47Å; A326-L424 HydrophobicContact CB-CD1 3.98Å; A326-L424 HydrophobicContact CB-CD2 4.39Å; A326-L424 HydrophobicContact CB-CG 4.42Å; A326-L428 HydrophobicContact CB-CD1 3.65Å; A326-L428 HydrophobicContact CB-CD2 3.69Å; A326-L428 HydrophobicContact CB-CG 3.88Å
327V97.9Very high92.7Very high31 Ų3160.2 Ų60.219%0.18831%0.309CS..EExtended strand (participates in β ladder)trans-133.7142.8178.560.20000110.2Y310 L342 F343Y310-V327 HydrophobicContact CD1-CG2 4.02Å; Y310-V327 HydrophobicContact CD2-CG1 4.19Å; Y310-V327 HydrophobicContact CE1-CG2 4.39Å; Y310-V327 HydrophobicContact CG-CG1 4.18Å; Y310-V327 HydrophobicContact CG-CG2 4.32Å; V327-L342 CarbonylContact C-O 3.37Å; V327-L342 VanDerWaalsContact CA-O 3.27Å; V327-L342 WeakPolarHBondContact CA-O 3.45Å; V327-F343 HydrophobicContact CB-CD1 3.83Å; V327-F343 HydrophobicContact CB-CE1 3.85Å; V327-F343 HydrophobicContact CG2-CD1 3.69Å; V327-F343 HydrophobicContact CG2-CE1 3.35Å; V327-F343 HydrophobicContact CG2-CG 4.42Å; V327-F343 HydrophobicContact CG2-CZ 3.81Å
328K97.7Very high92.9Very high34 Ų3459.9 Ų59.915%0.14831%0.307CS..EExtended strand (participates in β ladder)trans-125116169.3-164.663.4164-177.10109.8F330 L342 L424 E427K328-F330 HydrophobicContact CG-CD1 4.42Å; K328-L342 HydrophobicContact CB-CB 4.45Å; K328-L342 PolarHBondContact N-O 3.3Å; K328-L342 PolarHBondContact O-N 3.08Å; K328-L424 HydrophobicContact CB-CB 4.22Å; K328-L424 HydrophobicContact CB-CD1 4.17Å; K328-L424 HydrophobicContact CB-CD2 4.02Å; K328-L424 HydrophobicContact CB-CG 4.36Å; K328-L424 HydrophobicContact CD-CD1 4.47Å; K328-L424 HydrophobicContact CG-CB 4.46Å; K328-E427 IonicContact NZ-OE1 3.86Å; K328-E427 PolarHBondContact NZ-OE1 3.33Å; K328-E427 IonicContact NZ-OE2 3.44Å; K328-E427 PolarHBondContact NZ-OE2 2.82Å
329H97.7Very high93.2Very high30 Ų3063.7 Ų63.714%0.13932%0.319CS..EExtended strand (participates in β ladder)trans-100.4125.5170.5-167.9173.8000109W298 R300 P302 Y310 L341W298-H329 WeakPolarHBondContact CA-NE2 3.46Å; W298-H329 PolarHBondContact O-NE2 3.27Å; R300-H329 PolarHBondContact O-CE1 2.68Å; P302-H329 HydrophobicContact CB-CB 4.48Å; P302-H329 HydrophobicContact CG-CB 4.48Å; Y310-H329 HydrophobicContact CE1-CB 4.42Å; Y310-H329 AromaticContact CZ-ND1 3.9Å; Y310-H329 PolarHBondContact OH-ND1 3.4Å; H329-L341 HydrophobicContact CB-CD2 3.48Å; H329-L341 VanDerWaalsContact CB-CD2 3.48Å
330F96.8Very high93.6Very high13 Ų1358.1 Ų58.16%0.05729%0.289CS..EExtended strand (participates in β ladder)trans-149.5155.4175.771.6-82.3000112.2K328 V332 F338 A340 L342 L417 K420K328-F330 HydrophobicContact CG-CD1 4.42Å; F330-V332 HydrophobicContact CD2-CG2 3.99Å; F330-V332 HydrophobicContact CE2-CG2 3.85Å; F330-F338 AromaticContact CE2-CE2 3.69Å; F330-F338 HydrophobicContact CE2-CE2 3.69Å; F330-F338 HydrophobicContact CE2-CZ 4.17Å; F330-F338 HydrophobicContact CZ-CE2 4.06Å; F330-A340 HydrophobicContact CD1-CB 4.23Å; F330-A340 HydrophobicContact CE1-CB 3.59Å; F330-A340 HydrophobicContact CE2-CB 4.24Å; F330-A340 HydrophobicContact CZ-CB 3.61Å; F330-A340 PolarHBondContact N-O 3.41Å; F330-A340 VanDerWaalsContact N-O 3.09Å; F330-A340 PolarHBondContact O-N 3.31Å; F330-L342 HydrophobicContact CE1-CD1 3.68Å; F330-L342 HydrophobicContact CE1-CG 3.99Å; F330-L342 HydrophobicContact CZ-CD1 4.42Å; F330-L417 HydrophobicContact CE1-CD2 4.26Å; F330-L417 HydrophobicContact CZ-CD2 3.7Å; F330-K420 HydrophobicContact CB-CD 4.05Å; F330-K420 HydrophobicContact CB-CG 4.47Å; F330-K420 HydrophobicContact CD1-CB 3.96Å; F330-K420 HydrophobicContact CD1-CD 4.24Å; F330-K420 HydrophobicContact CD1-CG 3.86Å; F330-K420 HydrophobicContact CD2-CD 4.15Å; F330-K420 HydrophobicContact CD2-CG 3.76Å; F330-K420 HydrophobicContact CE1-CB 3.8Å; F330-K420 HydrophobicContact CE1-CG 3.93Å; F330-K420 HydrophobicContact CE2-CG 3.83Å; F330-K420 HydrophobicContact CG-CB 4.37Å; F330-K420 HydrophobicContact CG-CD 3.88Å; F330-K420 HydrophobicContact CG-CG 3.76Å; F330-K420 HydrophobicContact CZ-CB 4.08Å; F330-K420 HydrophobicContact CZ-CG 3.91Å
331S95.4Very high93.8Very high65 Ų6556.1 Ų56.146%0.45528%0.278SS..EExtended strand (participates in β ladder)trans-114.7153.8168.256.50000110.3F338S331-F338 CarbonylContact C-O 3.59Å; S331-F338 WeakPolarHBondContact CA-O 3.34Å
332V94.1Very high94.1Very high31 Ų3147 Ų4719%0.18824%0.243CC..EExtended strand (participates in β ladder)trans-123.8125.8168179.90000106.8F330 E337 F338 N416F330-V332 HydrophobicContact CD2-CG2 3.99Å; F330-V332 HydrophobicContact CE2-CG2 3.85Å; V332-E337 WeakPolarHBondContact O-CA 3.43Å; V332-F338 HydrophobicContact CB-CD1 3.94Å; V332-F338 HydrophobicContact CB-CE1 3.61Å; V332-F338 HydrophobicContact CB-CE2 4.5Å; V332-F338 HydrophobicContact CB-CZ 3.94Å; V332-F338 HydrophobicContact CG1-CD1 4.49Å; V332-F338 HydrophobicContact CG1-CE1 4Å; V332-F338 HydrophobicContact CG2-CD1 4.39Å; V332-F338 HydrophobicContact CG2-CE1 3.69Å; V332-F338 HydrophobicContact CG2-CE2 3.99Å; V332-F338 HydrophobicContact CG2-CZ 3.46Å; V332-F338 VanDerWaalsContact CG2-CZ 3.46Å; V332-F338 PolarHBondContact N-O 2.85Å; V332-F338 PolarHBondContact O-N 3.37Å; V332-F338 VanDerWaalsContact O-N 3.12Å; V332-N416 HydrophobicContact CG2-CB 4.27Å
333E89.1Confident94.2Very high161 Ų16144.9 Ų44.975%0.75223%0.234SC*.  trans-111.1153.3177.3-64.3175.1-174.200109.4
334G84.7Confident94.3Very high49 Ų4942 Ų4251%0.50522%0.218SC..SBendtrans131.9-138.4177.800000112.7L336G334-L336 PolarHBondContact O-N 3.39Å
335Q78.7Confident94.3Very high198 Ų19841.9 Ų41.993%0.92522%0.218SC*.SBendtrans-67.5-23.8179.5-174178.56.600113.1
336L86.5Confident94.3Very high25 Ų2545 Ų4513%0.13123%0.228CC..SBendtrans-129.8112.6176.4177.169.7000107.5G334 F338 L395 I409 V412 I413G334-L336 PolarHBondContact O-N 3.39Å; L336-F338 HydrophobicContact CD2-CD1 4.07Å; L336-F338 HydrophobicContact CD2-CE1 4.08Å; L336-F338 HydrophobicContact CG-CD1 4.03Å; L336-F338 HydrophobicContact CG-CE1 4.47Å; L336-L395 HydrophobicContact CD1-CD2 3.64Å; L336-I409 HydrophobicContact CD1-CG2 3.64Å; L336-I409 HydrophobicContact CD2-CG2 3.8Å; L336-I409 HydrophobicContact CG-CG2 4.37Å; L336-V412 HydrophobicContact CD2-CB 4.33Å; L336-V412 HydrophobicContact CD2-CG1 4.09Å; L336-I413 HydrophobicContact CD2-CD1 4.22Å; L336-I413 HydrophobicContact CD2-CG1 3.53Å
337E91Very high94.2Very high96 Ų9651.2 Ų51.245%0.44925%0.25SC..  trans-102121.6-178-62.4-169.5165.600110.7V332 S392 D394V332-E337 WeakPolarHBondContact O-CA 3.43Å; E337-S392 WeakPolarHBondContact O-CA 3.34Å; E337-S392 WeakPolarHBondContact O-CB 3.21Å; E337-S392 PolarHBondContact O-OG 3.5Å; E337-D394 PolarHBondContact N-OD1 3.34Å; E337-D394 PolarHBondContact N-OD2 2.94Å
338F94.2Very high94.1Very high5 Ų551.2 Ų51.22%0.02225%0.253CS..EExtended strand (participates in β ladder)trans-153.7154.2174.370.5-88.3000112F330 S331 V332 L336 A340 V390 D391 I413 N416F330-F338 AromaticContact CE2-CE2 3.69Å; F330-F338 HydrophobicContact CE2-CE2 3.69Å; F330-F338 HydrophobicContact CE2-CZ 4.17Å; F330-F338 HydrophobicContact CZ-CE2 4.06Å; S331-F338 CarbonylContact C-O 3.59Å; S331-F338 WeakPolarHBondContact CA-O 3.34Å; V332-F338 HydrophobicContact CB-CD1 3.94Å; V332-F338 HydrophobicContact CB-CE1 3.61Å; V332-F338 HydrophobicContact CB-CE2 4.5Å; V332-F338 HydrophobicContact CB-CZ 3.94Å; V332-F338 HydrophobicContact CG1-CD1 4.49Å; V332-F338 HydrophobicContact CG1-CE1 4Å; V332-F338 HydrophobicContact CG2-CD1 4.39Å; V332-F338 HydrophobicContact CG2-CE1 3.69Å; V332-F338 HydrophobicContact CG2-CE2 3.99Å; V332-F338 HydrophobicContact CG2-CZ 3.46Å; V332-F338 VanDerWaalsContact CG2-CZ 3.46Å; V332-F338 PolarHBondContact N-O 2.85Å; V332-F338 PolarHBondContact O-N 3.37Å; V332-F338 VanDerWaalsContact O-N 3.12Å; L336-F338 HydrophobicContact CD2-CD1 4.07Å; L336-F338 HydrophobicContact CD2-CE1 4.08Å; L336-F338 HydrophobicContact CG-CD1 4.03Å; L336-F338 HydrophobicContact CG-CE1 4.47Å; F338-A340 HydrophobicContact CD2-CB 4.32Å; F338-A340 HydrophobicContact CE2-CB 4.34Å; F338-V390 HydrophobicContact CB-CG1 4.37Å; F338-V390 HydrophobicContact CD2-CG1 3.77Å; F338-V390 HydrophobicContact CE2-CG1 4.36Å; F338-V390 HydrophobicContact CG-CG1 4.27Å; F338-D391 CarbonylContact C-O 3.53Å; F338-D391 VanDerWaalsContact CA-O 3.24Å; F338-D391 WeakPolarHBondContact CA-O 3.37Å; F338-D391 WeakPolarHBondContact CB-O 3.46Å; F338-I413 HydrophobicContact CD1-CG1 4.41Å; F338-I413 HydrophobicContact CE1-CG1 4.17Å; F338-I413 HydrophobicContact CE2-CG2 4.35Å; F338-I413 HydrophobicContact CZ-CG2 4.2Å; F338-N416 HydrophobicContact CZ-CB 3.86Å
339R96.1Very high93.9Very high111 Ų11151.1 Ų51.142%0.41926%0.256SS..EExtended strand (participates in β ladder)trans-115.2147.2170.6-56.4-171.4-174-179.54.5109.1W298 T299 D391W298-R339 HydrophobicContact CB-CB 4.29Å; W298-R339 WeakPolarHBondContact O-CD 3.43Å; W298-R339 PolarHBondContact O-NH1 2.88Å; T299-R339 VanDerWaalsContact C-NH1 3.29Å; T299-R339 PolarHBondContact O-NH1 3.49Å; R339-D391 PolarHBondContact N-O 3.43Å; R339-D391 PolarHBondContact O-N 3.48Å
340A96.8Very high93.7Very high0 Ų059.2 Ų59.20%029%0.291CS..EExtended strand (participates in β ladder)trans-145146.9-178.300000112.7F330 F338 V389 V390 L417F330-A340 HydrophobicContact CD1-CB 4.23Å; F330-A340 HydrophobicContact CE1-CB 3.59Å; F330-A340 HydrophobicContact CE2-CB 4.24Å; F330-A340 HydrophobicContact CZ-CB 3.61Å; F330-A340 PolarHBondContact N-O 3.41Å; F330-A340 VanDerWaalsContact N-O 3.09Å; F330-A340 PolarHBondContact O-N 3.31Å; F338-A340 HydrophobicContact CD2-CB 4.32Å; F338-A340 HydrophobicContact CE2-CB 4.34Å; A340-V389 WeakPolarHBondContact CA-O 3.44Å; A340-V389 WeakPolarHBondContact CB-O 3.49Å; A340-V390 HydrophobicContact CB-CG2 4.08Å; A340-L417 HydrophobicContact CB-CD2 4.28Å
341L97.5Very high93.4Very high0 Ų060 Ų600%030%0.296CS..EExtended strand (participates in β ladder)trans-119.2123.3168.9-69.7173000108.8I297 W298 Y310 F313 H329 F343 G388 V389I297-L341 HydrophobicContact CB-CD1 3.85Å; I297-L341 HydrophobicContact CG2-CD1 3.97Å; W298-L341 HydrophobicContact CB-CD1 4.07Å; W298-L341 HydrophobicContact CB-CG 4.03Å; W298-L341 HydrophobicContact CE3-CD1 4.18Å; Y310-L341 HydrophobicContact CD1-CD2 4.24Å; Y310-L341 HydrophobicContact CE1-CD2 3.6Å; F313-L341 HydrophobicContact CD1-CD1 4.23Å; F313-L341 HydrophobicContact CE1-CD1 3.88Å; F313-L341 HydrophobicContact CZ-CD1 4.3Å; H329-L341 HydrophobicContact CB-CD2 3.48Å; H329-L341 VanDerWaalsContact CB-CD2 3.48Å; L341-F343 HydrophobicContact CB-CE2 3.69Å; L341-F343 HydrophobicContact CB-CZ 4.17Å; L341-F343 HydrophobicContact CD1-CZ 4.44Å; L341-G388 CarbonylContact O-C 3.56Å; L341-G388 WeakPolarHBondContact O-CA 3.09Å; L341-V389 PolarHBondContact N-O 3.42Å; L341-V389 PolarHBondContact O-N 2.9Å
342L97.8Very high93.3Very high0 Ų057.8 Ų57.80%028%0.279CS..EExtended strand (participates in β ladder)trans-118.2133177.6-58178.6000109.7V327 K328 F330 I362 I386 R387 L417 K420V327-L342 CarbonylContact C-O 3.37Å; V327-L342 VanDerWaalsContact CA-O 3.27Å; V327-L342 WeakPolarHBondContact CA-O 3.45Å; K328-L342 HydrophobicContact CB-CB 4.45Å; K328-L342 PolarHBondContact N-O 3.3Å; K328-L342 PolarHBondContact O-N 3.08Å; F330-L342 HydrophobicContact CE1-CD1 3.68Å; F330-L342 HydrophobicContact CE1-CG 3.99Å; F330-L342 HydrophobicContact CZ-CD1 4.42Å; L342-I362 HydrophobicContact CD2-CD1 3.88Å; L342-I386 HydrophobicContact CB-CG2 3.98Å; L342-I386 HydrophobicContact CD2-CG2 4.01Å; L342-I386 HydrophobicContact CG-CG2 4.46Å; L342-R387 CarbonylContact C-O 3.55Å; L342-L417 HydrophobicContact CD1-CD2 4.13Å; L342-L417 HydrophobicContact CD2-CD2 3.93Å; L342-L417 HydrophobicContact CG-CD2 4.43Å; L342-K420 HydrophobicContact CD1-CB 4.5Å
343F98.2Very high93.1Very high0 Ų061.4 Ų61.40%029%0.292CS..EExtended strand (participates in β ladder)trans-123.1135.1-176.8-62.3-89.6000110.3Y310 F313 Y314 L317 H324 A326 V327 L341 I386 R387Y310-F343 HydrophobicContact CD1-CZ 4.48Å; F313-F343 AromaticContact CD1-CE2 3.92Å; F313-F343 HydrophobicContact CD1-CE2 3.92Å; F313-F343 AromaticContact CD1-CZ 3.67Å; F313-F343 HydrophobicContact CD1-CZ 3.67Å; F313-F343 AromaticContact CE1-CE2 3.86Å; F313-F343 HydrophobicContact CE1-CE2 3.86Å; F313-F343 HydrophobicContact CE1-CZ 4.07Å; Y314-F343 HydrophobicContact CD2-CB 3.63Å; Y314-F343 AromaticContact CD2-CD1 3.81Å; Y314-F343 HydrophobicContact CD2-CD1 3.81Å; Y314-F343 HydrophobicContact CD2-CD2 4.29Å; Y314-F343 AromaticContact CD2-CG 3.65Å; Y314-F343 HydrophobicContact CD2-CG 3.65Å; Y314-F343 HydrophobicContact CE2-CB 3.9Å; Y314-F343 HydrophobicContact CE2-CG 4.42Å; Y314-F343 HydrophobicContact CG-CD1 4.21Å; Y314-F343 HydrophobicContact CG-CG 4.47Å; L317-F343 HydrophobicContact CD2-CE2 4.48Å; H324-F343 HydrophobicContact CB-CB 4.35Å; H324-F343 HydrophobicContact CB-CD1 3.88Å; H324-F343 AromaticContact CD2-CD1 3.52Å; H324-F343 AromaticContact CD2-CE1 3.65Å; H324-F343 AromaticContact CG-CD1 3.69Å; A326-F343 WeakPolarHBondContact O-CA 3.4Å; V327-F343 HydrophobicContact CB-CD1 3.83Å; V327-F343 HydrophobicContact CB-CE1 3.85Å; V327-F343 HydrophobicContact CG2-CD1 3.69Å; V327-F343 HydrophobicContact CG2-CE1 3.35Å; V327-F343 HydrophobicContact CG2-CG 4.42Å; V327-F343 HydrophobicContact CG2-CZ 3.81Å; L341-F343 HydrophobicContact CB-CE2 3.69Å; L341-F343 HydrophobicContact CB-CZ 4.17Å; L341-F343 HydrophobicContact CD1-CZ 4.44Å; F343-I386 WeakPolarHBondContact O-CA 3.45Å; F343-R387 HydrophobicContact CB-CB 4.32Å; F343-R387 PolarHBondContact N-O 2.87Å; F343-R387 PolarHBondContact O-N 3Å
344V98.1Very high93.1Very high0 Ų059.1 Ų59.10%028%0.281CS..EExtended strand (participates in β ladder)trans-95.3115.2166.8178.60000107.4L325 A326 F385 I386 L424 F425 L428 F438 F442L325-V344 HydrophobicContact CB-CB 4.45Å; L325-V344 HydrophobicContact CB-CG1 4.21Å; L325-V344 WeakPolarHBondContact CB-O 3.5Å; L325-V344 HydrophobicContact CD2-CG1 4.14Å; L325-V344 PolarHBondContact N-O 3.17Å; A326-V344 HydrophobicContact CB-CB 4.16Å; A326-V344 HydrophobicContact CB-CG2 4.32Å; A326-V344 PolarHBondContact N-O 3.27Å; A326-V344 PolarHBondContact O-N 3.47Å; V344-F385 HydrophobicContact CG1-CE2 4.3Å; V344-I386 HydrophobicContact CG2-CD1 3.62Å; V344-L424 HydrophobicContact CG2-CD2 3.67Å; V344-F425 HydrophobicContact CG2-CE1 3.88Å; V344-L428 HydrophobicContact CG2-CD1 4.36Å; V344-F438 HydrophobicContact CG1-CD2 3.66Å; V344-F438 HydrophobicContact CG1-CE2 3.87Å; V344-F442 HydrophobicContact CG1-CD2 4.44Å; V344-F442 HydrophobicContact CG1-CE2 4.12Å
345P97.6Very high92.9Very high4 Ų464.6 Ų64.63%0.02630%0.299CS..  trans-61.4154173.7-22.934.9000111.7Y314 R347 F385 R387 F442Y314-P345 WeakPolarHBondContact OH-CB 3.31Å; P345-R347 VanDerWaalsContact C-N 3.31Å; P345-F385 WeakPolarHBondContact CD-O 3.46Å; P345-F385 WeakPolarHBondContact CG-O 3.4Å; P345-R387 HydrophobicContact CG-CG 4.12Å; P345-F442 HydrophobicContact CB-CZ 4.37Å; P345-F442 WeakPolarHBondContact O-CE2 3.32Å
346R97.2Very high93.1Very high80 Ų8066.4 Ų66.430%0.30230%0.298SS..SBendtrans-70.8-27173.4-77.7-179.6-173.9-85.2-7.7113.7E322 D323 H324 L325 Q441E322-R346 WeakPolarHBondContact OE1-CD 3.49Å; D323-R346 WeakPolarHBondContact O-CD 3.36Å; D323-R346 VanDerWaalsContact O-CG 3.26Å; D323-R346 WeakPolarHBondContact O-CG 3.41Å; D323-R346 PolarHBondContact O-NE 2.97Å; D323-R346 VanDerWaalsContact O-NE 3.1Å; H324-R346 PolarHBondContact O-NE 2.85Å; H324-R346 PolarHBondContact O-NH2 3.28Å; L325-R346 HydrophobicContact CB-CG 3.87Å; L325-R346 HydrophobicContact CD1-CG 4.35Å; R346-Q441 WeakPolarHBondContact O-CG 3.38Å
347R96.1Very high92.9Very high142 Ų14268.4 Ų68.454%0.53631%0.305SS..SBendtrans-130.6143.2-177.8-56.5-177.1-162.5-153-2.9110.3E322 P345E322-R347 IonicContact OE2-CZ 4Å; E322-R347 IonicContact OE2-NE 3.43Å; E322-R347 PolarHBondContact OE2-NE 3.24Å; E322-R347 IonicContact OE2-NH2 2.82Å; E322-R347 PolarHBondContact OE2-NH2 3.38Å; P345-R347 VanDerWaalsContact C-N 3.31Å
348A95.5Very high92.5Very high32 Ų3268.6 Ų68.626%0.26431%0.305SS..  trans-66.2134.4168.600000109.5L352 Q441 F442A348-L352 HydrophobicContact CB-CD2 3.96Å; A348-Q441 HydrophobicContact CB-CB 4.49Å; A348-F442 HydrophobicContact CB-CD1 4.41Å; A348-F442 HydrophobicContact CB-CE1 3.86Å; A348-F442 HydrophobicContact CB-CZ 4.36Å
349P92.7Very high92Very high31 Ų3170.9 Ų70.920%0.20132%0.315CS..  trans-67.4146.7172.930.7-34.3000109.8D351 L352P349-D351 WeakPolarHBondContact CB-OD1 3.26Å; P349-D351 PolarHBondContact O-N 2.99Å; P349-D351 VanDerWaalsContact O-N 3.1Å; P349-L352 HydrophobicContact CG-CB 3.98Å; P349-L352 HydrophobicContact CG-CD1 4.18Å; P349-L352 VanDerWaalsContact O-CB 3.31Å; P349-L352 WeakPolarHBondContact O-CB 3.45Å; P349-L352 PolarHBondContact O-N 3.34Å; P349-L352 VanDerWaalsContact O-N 3.09Å
350F92.7Very high91.6Very high201 Ų20168.6 Ų68.688%0.88231%0.311SS*.THydrogen-bonded Turntrans-60.9-24.1-175.568.8-89.9000113.4
351D92.2Very high91.4Very high30 Ų3069.3 Ų69.316%0.1632%0.315CS..THydrogen-bonded Turntrans-102.118.4-178.461.42.4000113P349 F353 E354 K357P349-D351 WeakPolarHBondContact CB-OD1 3.26Å; P349-D351 PolarHBondContact O-N 2.99Å; P349-D351 VanDerWaalsContact O-N 3.1Å; D351-F353 VanDerWaalsContact C-N 3.26Å; D351-F353 PolarHBondContact O-N 3.17Å; D351-E354 HydrophobicContact CB-CB 4.32Å; D351-E354 WeakPolarHBondContact O-CB 3.25Å; D351-E354 PolarHBondContact O-N 3.36Å; D351-E354 VanDerWaalsContact O-N 3.1Å; D351-K357 HydrophobicContact CB-CD 4.26Å; D351-K357 IonicContact OD1-NZ 3.07Å; D351-K357 PolarHBondContact OD1-NZ 3.39Å; D351-K357 WeakPolarHBondContact OD2-CD 3.47Å; D351-K357 VanDerWaalsContact OD2-CE 3.31Å; D351-K357 WeakPolarHBondContact OD2-CE 3.43Å; D351-K357 IonicContact OD2-NZ 3.85Å; D351-K357 PolarHBondContact OD2-NZ 2.64Å
352L91.9Very high91.2Very high18 Ų1869.7 Ų69.79%0.09432%0.316CS..THydrogen-bonded Turntrans-54.5-37-174.7-179.457.5000114.1A348 P349 F385 F442 N445A348-L352 HydrophobicContact CB-CD2 3.96Å; P349-L352 HydrophobicContact CG-CB 3.98Å; P349-L352 HydrophobicContact CG-CD1 4.18Å; P349-L352 VanDerWaalsContact O-CB 3.31Å; P349-L352 WeakPolarHBondContact O-CB 3.45Å; P349-L352 PolarHBondContact O-N 3.34Å; P349-L352 VanDerWaalsContact O-N 3.09Å; L352-F385 HydrophobicContact CD1-CB 3.8Å; L352-F442 HydrophobicContact CD2-CD1 4.26Å; L352-F442 HydrophobicContact CD2-CE1 4.29Å; L352-N445 WeakPolarHBondContact CD2-OD1 3.44Å
353F90.5Very high90.9Very high107 Ų10772 Ų7247%0.46933%0.327SS..THydrogen-bonded Turntrans-106.621.2-178.1-60.7-71.5000112.8D351 N355 K444 N445D351-F353 VanDerWaalsContact C-N 3.26Å; D351-F353 PolarHBondContact O-N 3.17Å; F353-N355 PolarHBondContact O-N 2.94Å; F353-K444 HydrophobicContact CE2-CB 4.3Å; F353-K444 HydrophobicContact CE2-CD 4.15Å; F353-K444 HydrophobicContact CZ-CB 3.8Å; F353-K444 HydrophobicContact CZ-CD 4.47Å; F353-N445 WeakPolarHBondContact CZ-OD1 3.47Å
354E89.8Confident90.6Very high112 Ų11272.1 Ų72.152%0.52333%0.327SS..  trans-79.3104.6175.6-171.8177.916900111.1D351 R356 K357D351-E354 HydrophobicContact CB-CB 4.32Å; D351-E354 WeakPolarHBondContact O-CB 3.25Å; D351-E354 PolarHBondContact O-N 3.36Å; D351-E354 VanDerWaalsContact O-N 3.1Å; E354-R356 PolarHBondContact O-N 2.97Å; E354-K357 HydrophobicContact CB-CB 4.3Å; E354-K357 VanDerWaalsContact O-CB 3.31Å; E354-K357 WeakPolarHBondContact O-CB 3.45Å; E354-K357 PolarHBondContact O-N 3.47Å
355N80.4Confident90.2Very high165 Ų16572.1 Ų72.188%0.88233%0.327SS*.THydrogen-bonded Turntrans-59.1-18.8-174.7-67.9-18.8000115.7F353F353-N355 PolarHBondContact O-N 2.94Å
356R82.4Confident89.8Confident236 Ų23672.4 Ų72.489%0.89133%0.329SS*.THydrogen-bonded Turntrans-91.7-8.1-179.9-65.4-176.2-178.3176.91.1113E354E354-R356 PolarHBondContact O-N 2.97Å
357K82.9Confident89.2Confident67 Ų6770.9 Ų70.929%0.29132%0.323SS..SBendtrans-73.5133.1-175.4-175.9175.1173.2175.70110.7D351 E354 K359D351-K357 HydrophobicContact CB-CD 4.26Å; D351-K357 IonicContact OD1-NZ 3.07Å; D351-K357 PolarHBondContact OD1-NZ 3.39Å; D351-K357 WeakPolarHBondContact OD2-CD 3.47Å; D351-K357 VanDerWaalsContact OD2-CE 3.31Å; D351-K357 WeakPolarHBondContact OD2-CE 3.43Å; D351-K357 IonicContact OD2-NZ 3.85Å; D351-K357 PolarHBondContact OD2-NZ 2.64Å; E354-K357 HydrophobicContact CB-CB 4.3Å; E354-K357 VanDerWaalsContact O-CB 3.31Å; E354-K357 WeakPolarHBondContact O-CB 3.45Å; E354-K357 PolarHBondContact O-N 3.47Å; K357-K359 PolarHBondContact O-N 3.23Å
358K82.6Confident88.8Confident100 Ų10066.5 Ų66.544%0.43531%0.306SS..  trans-62127.6172.7-172.3-173.4176.7-160.20110N360 D373 N374K358-N360 PolarHBondContact O-N 3.4Å; K358-N360 VanDerWaalsContact O-N 3.1Å; K358-D373 WeakPolarHBondContact CE-OD1 3.18Å; K358-D373 IonicContact NZ-OD1 3.73Å; K358-D373 PolarHBondContact NZ-OD1 3Å; K358-D373 IonicContact NZ-OD2 3.88Å; K358-D373 PolarHBondContact NZ-OD2 3.37Å; K358-N374 HydrophobicContact CG-CB 4.4Å
359K84.2Confident88.3Confident53 Ų5365.1 Ų65.123%0.2330%0.295CS..  trans-82.488.6-179.6-55-176.4-160.1171.90110K357 E376 E381K357-K359 PolarHBondContact O-N 3.23Å; K359-E376 HydrophobicContact CD-CG 4.09Å; K359-E381 WeakPolarHBondContact CE-OE2 3.29Å; K359-E381 IonicContact NZ-OE2 2.88Å; K359-E381 PolarHBondContact NZ-OE2 3.41Å
360N86.9Confident88.1Confident63 Ų6364.2 Ų64.234%0.33729%0.287SS..  trans-116.921.6-173.767.5-11000114.4K358 D373K358-N360 PolarHBondContact O-N 3.4Å; K358-N360 VanDerWaalsContact O-N 3.1Å; N360-D373 WeakPolarHBondContact CA-O 3.47Å; N360-D373 HydrophobicContact CB-CB 3.9Å
361N92.2Very high87.8Confident15 Ų1555 Ų558%0.0825%0.248CC..SBendtrans-72.7-34.4-172.4-68.9-46.1000113.4N384 I386 R387 G388N361-N384 PolarHBondContact ND2-O 3.47Å; N361-N384 PolarHBondContact ND2-OD1 3.26Å; N361-I386 VanDerWaalsContact CB-O 3.27Å; N361-I386 WeakPolarHBondContact CB-O 3.45Å; N361-R387 CarbonylContact O-C 3.53Å; N361-R387 VanDerWaalsContact O-CA 3.31Å; N361-R387 WeakPolarHBondContact O-CA 3.48Å; N361-R387 VanDerWaalsContact OD1-CD 3.29Å; N361-R387 WeakPolarHBondContact OD1-CD 3.38Å; N361-R387 PolarHBondContact OD1-NE 3.43Å; N361-R387 VanDerWaalsContact OD1-NE 3.08Å; N361-R387 PolarHBondContact OD1-NH1 3.06Å; N361-G388 PolarHBondContact O-N 3.33Å
362I93.4Very high87.4Confident7 Ų754.8 Ų54.84%0.03625%0.246CC..EExtended strand (participates in β ladder)trans-111.5120.2175.3-62.7-177.3000108.7L342 L378 I379 I386 G388 V390 L417L342-I362 HydrophobicContact CD2-CD1 3.88Å; I362-L378 HydrophobicContact CG2-CD1 4.29Å; I362-I379 HydrophobicContact CD1-CB 4.31Å; I362-I379 HydrophobicContact CD1-CD1 3.55Å; I362-I379 HydrophobicContact CD1-CG1 4.43Å; I362-I386 HydrophobicContact CD1-CG2 4.35Å; I362-G388 WeakPolarHBondContact CA-O 3.36Å; I362-V390 HydrophobicContact CG2-CG2 3.75Å; I362-L417 HydrophobicContact CD1-CD1 4.46Å
363K91.1Very high86.8Confident50 Ų5055.2 Ų55.222%0.21725%0.248CC..EExtended strand (participates in β ladder)trans-95.7131.1178.7-63.5-179.1-172.3171.40110L317 Y365 F370 D373 G388 V389 V390L317-K363 HydrophobicContact CD1-CD 4.13Å; K363-Y365 HydrophobicContact CB-CD2 4.19Å; K363-Y365 HydrophobicContact CB-CE2 3.46Å; K363-Y365 VanDerWaalsContact CB-CE2 3.46Å; K363-Y365 HydrophobicContact CD-CE2 4.32Å; K363-F370 HydrophobicContact CB-CD2 4.38Å; K363-F370 HydrophobicContact CB-CE2 4.08Å; K363-F370 HydrophobicContact CD-CE2 4.25Å; K363-F370 HydrophobicContact CG-CE2 4.14Å; K363-D373 HydrophobicContact CG-CB 4.15Å; K363-G388 PolarHBondContact N-O 3.02Å; K363-V389 WeakPolarHBondContact O-CA 3.4Å; K363-V390 PolarHBondContact O-N 2.93Å
364L91.5Very high86Confident1 Ų153.9 Ų53.91%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-95.2124.8176.2-176.564.9000110.1I371 M372 L378 V390 L395 L410L364-I371 PolarHBondContact O-N 3.28Å; L364-M372 HydrophobicContact CB-CG 3.94Å; L364-M372 HydrophobicContact CD2-CE 4.44Å; L364-M372 HydrophobicContact CD2-CG 4.01Å; L364-M372 HydrophobicContact CD2-SD 4.21Å; L364-M372 PolarHBondContact N-O 2.6Å; L364-M372 PolarHBondContact O-N 3.11Å; L364-L378 HydrophobicContact CB-CD1 4.27Å; L364-V390 CarbonylContact C-O 3.59Å; L364-V390 WeakPolarHBondContact CA-O 3.35Å; L364-V390 HydrophobicContact CD1-CB 4.01Å; L364-V390 HydrophobicContact CD1-CG1 3.83Å; L364-L395 HydrophobicContact CD1-CD1 3.89Å; L364-L395 HydrophobicContact CD2-CD1 4.07Å; L364-L395 HydrophobicContact CG-CD1 4.32Å; L364-L410 HydrophobicContact CD2-CD2 4.32Å
365Y91.2Very high84.9Confident1 Ų149.2 Ų49.20%0.00423%0.226CC..EExtended strand (participates in β ladder)trans-115.8149.9174.5-67-102.4000109.4F213 K363 V369 F370 V389 V390 D391 S392F213-Y365 HydrophobicContact CD2-CD1 4.1Å; F213-Y365 AromaticContact CD2-CE1 3.49Å; F213-Y365 HydrophobicContact CD2-CE1 3.49Å; F213-Y365 VanDerWaalsContact CD2-CE1 3.49Å; F213-Y365 HydrophobicContact CD2-CE2 4.5Å; F213-Y365 AromaticContact CD2-CZ 3.73Å; F213-Y365 AromaticContact CE2-CE1 3.89Å; F213-Y365 HydrophobicContact CE2-CE1 3.89Å; F213-Y365 HydrophobicContact CE2-CE2 4.23Å; F213-Y365 AromaticContact CE2-CZ 3.6Å; F213-Y365 WeakPolarHBondContact CE2-OH 3.49Å; K363-Y365 HydrophobicContact CB-CD2 4.19Å; K363-Y365 HydrophobicContact CB-CE2 3.46Å; K363-Y365 VanDerWaalsContact CB-CE2 3.46Å; K363-Y365 HydrophobicContact CD-CE2 4.32Å; Y365-V369 CarbonylContact C-O 3.11Å; Y365-V369 WeakPolarHBondContact CA-O 3.34Å; Y365-V369 VanDerWaalsContact CD1-C 3.46Å; Y365-F370 VanDerWaalsContact CD1-CA 3.49Å; Y365-F370 HydrophobicContact CD1-CB 4.03Å; Y365-F370 VanDerWaalsContact CD1-N 3.34Å; Y365-F370 HydrophobicContact CE1-CB 3.58Å; Y365-F370 HydrophobicContact CE1-CD2 4.1Å; Y365-F370 HydrophobicContact CE1-CG 4.34Å; Y365-F370 HydrophobicContact CE2-CD2 4.2Å; Y365-F370 AromaticContact CZ-CD2 3.8Å; Y365-V389 HydrophobicContact CD2-CG1 3.55Å; Y365-V389 HydrophobicContact CE2-CG1 3.87Å; Y365-V389 HydrophobicContact CE2-CG2 4.12Å; Y365-V389 HydrophobicContact CG-CG1 4.41Å; Y365-V390 PolarHBondContact N-O 3.41Å; Y365-D391 WeakPolarHBondContact CB-OD1 3.22Å; Y365-D391 WeakPolarHBondContact O-CA 3.37Å; Y365-S392 PolarHBondContact O-N 3.11Å; Y365-S392 VanDerWaalsContact O-N 3.13Å
366V88.8Confident84.7Confident10 Ų1047 Ų476%0.06121%0.21CC..EExtended strand (participates in β ladder)trans-128.7120.7168.4173.80000107.6R368 V369 I371 S392 L395 L397V366-R368 PolarHBondContact O-N 2.92Å; V366-V369 PolarHBondContact N-O 3.12Å; V366-V369 WeakPolarHBondContact O-CB 3.47Å; V366-V369 PolarHBondContact O-N 3.43Å; V366-I371 HydrophobicContact CB-CD1 4.12Å; V366-I371 HydrophobicContact CB-CG1 3.84Å; V366-I371 HydrophobicContact CG2-CD1 4.43Å; V366-I371 HydrophobicContact CG2-CG1 3.72Å; V366-S392 CarbonylContact C-O 3.6Å; V366-S392 WeakPolarHBondContact CA-O 3.21Å; V366-L395 HydrophobicContact CG2-CB 3.68Å; V366-L395 HydrophobicContact CG2-CD1 3.73Å; V366-L395 HydrophobicContact CG2-CG 4.12Å; V366-L397 HydrophobicContact CB-CD1 4.15Å; V366-L397 HydrophobicContact CG1-CD1 4.05Å; V366-L397 HydrophobicContact CG1-CG 4.47Å; V366-L397 HydrophobicContact CG2-CD1 4.47Å; V366-L397 HydrophobicContact CG2-CD2 4.01Å; V366-L397 HydrophobicContact CG2-CG 4.45Å
367R85.3Confident84.7Confident47 Ų4739.6 Ų39.618%0.17719%0.185CC..THydrogen-bonded Turntrans52.344.1-175.1-53.5-176.1174-110.7-3.9111.2S129 M130 I131 V369 D391 S392 E393S129-R367 VanDerWaalsContact CA-NH1 3.27Å; S129-R367 WeakPolarHBondContact OG-CD 3.36Å; S129-R367 VanDerWaalsContact OG-CG 3.27Å; S129-R367 WeakPolarHBondContact OG-CG 3.32Å; S129-R367 PolarHBondContact OG-NH1 3.49Å; M130-R367 WeakPolarHBondContact O-CD 3.34Å; I131-R367 HydrophobicContact CG1-CB 4.06Å; R367-V369 PolarHBondContact O-N 3.45Å; R367-V369 VanDerWaalsContact O-N 3.14Å; R367-D391 PolarHBondContact N-OD1 3.16Å; R367-S392 PolarHBondContact N-O 3.39Å; R367-E393 WeakPolarHBondContact CG-OE2 3.07Å; R367-E393 PolarHBondContact NE-O 3.32Å; R367-E393 PolarHBondContact NH2-O 2.61Å
368R87.6Confident84.9Confident51 Ų5136.5 Ų36.519%0.19217%0.172CC..THydrogen-bonded Turntrans64.18.1-177.3-52.4172.9-70.7-81.93.1115.7F213 W298 V366 D391F213-R368 HydrophobicContact CB-CB 4.13Å; F213-R368 WeakPolarHBondContact O-CB 3.23Å; W298-R368 HydrophobicContact CZ2-CG 4.39Å; V366-R368 PolarHBondContact O-N 2.92Å; R368-D391 WeakPolarHBondContact CG-OD2 3.37Å; R368-D391 PolarHBondContact N-OD1 3.2Å; R368-D391 PolarHBondContact N-OD2 3.21Å
369V85.1Confident85.4Confident3 Ų332.5 Ų32.52%0.01816%0.155CC..EExtended strand (participates in β ladder)trans-96.9131.3173.3-178.50000109.8R46 I131 I214 Y365 V366 R367 I371R46-V369 HydrophobicContact CG-CG1 4.14Å; I131-V369 HydrophobicContact CD1-CG2 3.38Å; I131-V369 HydrophobicContact CG1-CG2 3.87Å; I131-V369 HydrophobicContact CG2-CG2 4.11Å; I214-V369 HydrophobicContact CD1-CG2 4.18Å; Y365-V369 CarbonylContact C-O 3.11Å; Y365-V369 WeakPolarHBondContact CA-O 3.34Å; Y365-V369 VanDerWaalsContact CD1-C 3.46Å; V366-V369 PolarHBondContact N-O 3.12Å; V366-V369 WeakPolarHBondContact O-CB 3.47Å; V366-V369 PolarHBondContact O-N 3.43Å; R367-V369 PolarHBondContact O-N 3.45Å; R367-V369 VanDerWaalsContact O-N 3.14Å; V369-I371 PolarHBondContact O-N 3.11Å
370F88Confident85.8Confident11 Ų1130.2 Ų30.25%0.04815%0.146CC..EExtended strand (participates in β ladder)trans-65.9129.4178.4177.8-104.4000110.9K209 H210 K363 Y365 D373K209-F370 HydrophobicContact CG-CD1 4.26Å; K209-F370 HydrophobicContact CG-CE1 4.24Å; K209-F370 VanDerWaalsContact O-CB 3.3Å; K209-F370 WeakPolarHBondContact O-CB 3.44Å; K209-F370 WeakPolarHBondContact O-CG 3.09Å; H210-F370 AromaticContact ND1-CD1 3.69Å; K363-F370 HydrophobicContact CB-CD2 4.38Å; K363-F370 HydrophobicContact CB-CE2 4.08Å; K363-F370 HydrophobicContact CD-CE2 4.25Å; K363-F370 HydrophobicContact CG-CE2 4.14Å; Y365-F370 VanDerWaalsContact CD1-CA 3.49Å; Y365-F370 HydrophobicContact CD1-CB 4.03Å; Y365-F370 VanDerWaalsContact CD1-N 3.34Å; Y365-F370 HydrophobicContact CE1-CB 3.58Å; Y365-F370 HydrophobicContact CE1-CD2 4.1Å; Y365-F370 HydrophobicContact CE1-CG 4.34Å; Y365-F370 HydrophobicContact CE2-CD2 4.2Å; Y365-F370 AromaticContact CZ-CD2 3.8Å; F370-D373 HydrophobicContact CE2-CB 3.86Å; F370-D373 HydrophobicContact CZ-CB 3.68Å; F370-D373 VanDerWaalsContact CZ-N 3.34Å
371I86.4Confident86.1Confident9 Ų930 Ų305%0.04614%0.143CC..EExtended strand (participates in β ladder)trans-108.2-58.6178.8-56.2-55000110.1L364 V366 V369 L397L364-I371 PolarHBondContact O-N 3.28Å; V366-I371 HydrophobicContact CB-CD1 4.12Å; V366-I371 HydrophobicContact CB-CG1 3.84Å; V366-I371 HydrophobicContact CG2-CD1 4.43Å; V366-I371 HydrophobicContact CG2-CG1 3.72Å; V369-I371 PolarHBondContact O-N 3.11Å; I371-L397 HydrophobicContact CB-CD2 4.49Å; I371-L397 HydrophobicContact CD1-CD1 3.6Å; I371-L397 HydrophobicContact CD1-CD2 3.94Å; I371-L397 HydrophobicContact CD1-CG 4.43Å; I371-L397 HydrophobicContact CG1-CD1 4.41Å; I371-L397 HydrophobicContact CG1-CD2 3.96Å; I371-L397 HydrophobicContact CG2-CD2 3.74Å
372M84.2Confident86.3Confident24 Ų2429.4 Ų29.412%0.11814%0.14CC..EExtended strand (participates in β ladder)trans-153.8147.7-177.564.5-17975.200111.5L364 C375 L404L364-M372 HydrophobicContact CB-CG 3.94Å; L364-M372 HydrophobicContact CD2-CE 4.44Å; L364-M372 HydrophobicContact CD2-CG 4.01Å; L364-M372 HydrophobicContact CD2-SD 4.21Å; L364-M372 PolarHBondContact N-O 2.6Å; L364-M372 PolarHBondContact O-N 3.11Å; M372-C375 HydrophobicContact SD-CB 4.13Å; M372-L404 HydrophobicContact CE-CB 4.2Å
373D79.3Confident86.4Confident27 Ų2729.1 Ų29.114%0.14414%0.138CC..SBendtrans-107.9-21.1167.760.3-12.6000111.6K358 N360 K363 F370 C375K358-D373 WeakPolarHBondContact CE-OD1 3.18Å; K358-D373 IonicContact NZ-OD1 3.73Å; K358-D373 PolarHBondContact NZ-OD1 3Å; K358-D373 IonicContact NZ-OD2 3.88Å; K358-D373 PolarHBondContact NZ-OD2 3.37Å; N360-D373 WeakPolarHBondContact CA-O 3.47Å; N360-D373 HydrophobicContact CB-CB 3.9Å; K363-D373 HydrophobicContact CG-CB 4.15Å; F370-D373 HydrophobicContact CE2-CB 3.86Å; F370-D373 HydrophobicContact CZ-CB 3.68Å; F370-D373 VanDerWaalsContact CZ-N 3.34Å; D373-C375 PolarHBondContact O-N 3Å
374N72.5Confident86.6Confident80 Ų8027.6 Ų27.643%0.42813%0.132SC..  trans-90.972.3-176-160.326.4000112.5K358K358-N374 HydrophobicContact CG-CB 4.4Å
375C67.7Low86.7Confident14 Ų1427.5 Ų27.510%0.09513%0.132CC..  trans-120.185.2178.5-152.90000111.6M372 D373 E377 L378 L410M372-C375 HydrophobicContact SD-CB 4.13Å; D373-C375 PolarHBondContact O-N 3Å; C375-E377 PolarHBondContact O-N 2.66Å; C375-E377 VanDerWaalsContact O-N 3.08Å; C375-L378 HydrophobicContact CB-CB 4.01Å; C375-L378 HydrophobicContact CB-CD1 3.54Å; C375-L378 HydrophobicContact CB-CG 3.58Å; C375-L378 PolarHBondContact O-N 2.74Å; C375-L410 VanDerWaalsContact SG-CD1 3.6Å
376E76.3Confident87Confident119 Ų11927.5 Ų27.556%0.55613%0.132SC*.THydrogen-bonded Turntrans-56.9-22.9172.9-53.2-165.6154.700112.3K359K359-E376 HydrophobicContact CD-CG 4.09Å
377E81.2Confident87.4Confident79 Ų7929.3 Ų29.337%0.36914%0.137SC..THydrogen-bonded Turntrans-82.4-16.9177.5-64.3-164.4171.300114.3C375 L410 R414C375-E377 PolarHBondContact O-N 2.66Å; C375-E377 VanDerWaalsContact O-N 3.08Å; E377-L410 HydrophobicContact CB-CB 4.31Å; E377-L410 HydrophobicContact CB-CD1 4.38Å; E377-R414 WeakPolarHBondContact O-CB 3.34Å; E377-R414 WeakPolarHBondContact O-CD 3.37Å
378L88.1Confident87.8Confident2 Ų227 Ų271%0.0113%0.129CC..THydrogen-bonded Turntrans-72-34.4-177.6-85.5177000112.5I362 L364 C375 L410 I413 R414 L417I362-L378 HydrophobicContact CG2-CD1 4.29Å; L364-L378 HydrophobicContact CB-CD1 4.27Å; C375-L378 HydrophobicContact CB-CB 4.01Å; C375-L378 HydrophobicContact CB-CD1 3.54Å; C375-L378 HydrophobicContact CB-CG 3.58Å; C375-L378 PolarHBondContact O-N 2.74Å; L378-L410 HydrophobicContact CD2-CD2 3.81Å; L378-L410 HydrophobicContact CG-CD2 4.2Å; L378-I413 HydrophobicContact CD2-CB 4.02Å; L378-I413 HydrophobicContact CD2-CD1 4.47Å; L378-I413 HydrophobicContact CD2-CG2 3.57Å; L378-R414 VanDerWaalsContact O-CA 3.22Å; L378-R414 WeakPolarHBondContact O-CA 3.42Å; L378-R414 WeakPolarHBondContact O-CB 3.45Å; L378-R414 WeakPolarHBondContact O-CG 3.42Å; L378-L417 HydrophobicContact CB-CD1 4.46Å; L378-L417 HydrophobicContact CD2-CD1 4.31Å; L378-L417 WeakPolarHBondContact O-CD1 3.24Å
379I91.8Very high88.2Confident16 Ų1624.6 Ų24.68%0.08212%0.12CC..SBendtrans-142139.3-174-156.8168.3000110.6I362 L383 I386I362-I379 HydrophobicContact CD1-CB 4.31Å; I362-I379 HydrophobicContact CD1-CD1 3.55Å; I362-I379 HydrophobicContact CD1-CG1 4.43Å; I379-L383 HydrophobicContact CD1-CB 3.54Å; I379-L383 HydrophobicContact CD1-CD1 4.3Å; I379-L383 HydrophobicContact CG1-CB 3.66Å; I379-L383 HydrophobicContact CG1-CD1 4.18Å; I379-I386 HydrophobicContact CD1-CB 4Å; I379-I386 HydrophobicContact CD1-CG1 4.42Å; I379-I386 HydrophobicContact CD1-CG2 4.42Å
380P93.6Very high88.7Confident6 Ų624.5 Ų24.54%0.03912%0.119CC..  trans-65.6155.6174.128.1-36.5000112Y382 L383 V418P380-Y382 VanDerWaalsContact C-N 3.27Å; P380-Y382 HydrophobicContact CB-CD1 3.57Å; P380-Y382 HydrophobicContact CB-CE1 3.43Å; P380-Y382 VanDerWaalsContact CB-CE1 3.43Å; P380-Y382 HydrophobicContact CG-CD1 3.77Å; P380-Y382 HydrophobicContact CG-CE1 3.29Å; P380-Y382 PolarHBondContact O-N 3.39Å; P380-L383 HydrophobicContact CG-CB 4.32Å; P380-L383 HydrophobicContact CG-CD1 3.86Å; P380-L383 HydrophobicContact CG-CG 4.03Å; P380-L383 PolarHBondContact O-N 3.04Å; P380-V418 VanDerWaalsContact CD-CG2 3.43Å; P380-V418 HydrophobicContact CG-CG2 3.7Å
381E92.9Very high88.9Confident59 Ų5924.2 Ų24.228%0.27612%0.118SC..G310 helixtrans-56.4-40.7-176.5-168.157.7-141.600112.8K359 L383 N384K359-E381 WeakPolarHBondContact CE-OE2 3.29Å; K359-E381 IonicContact NZ-OE2 2.88Å; K359-E381 PolarHBondContact NZ-OE2 3.41Å; E381-L383 PolarHBondContact O-N 3.24Å; E381-N384 WeakPolarHBondContact O-CB 3.42Å; E381-N384 PolarHBondContact O-N 2.94Å; E381-N384 PolarHBondContact OE1-ND2 2.56Å
382Y95.8Very high89.2Confident2 Ų223.8 Ų23.81%0.00812%0.116CC..G310 helixtrans-62.2-16.517977.3-95000114.1P380 F385 V418 N445 D453 L460P380-Y382 VanDerWaalsContact C-N 3.27Å; P380-Y382 HydrophobicContact CB-CD1 3.57Å; P380-Y382 HydrophobicContact CB-CE1 3.43Å; P380-Y382 VanDerWaalsContact CB-CE1 3.43Å; P380-Y382 HydrophobicContact CG-CD1 3.77Å; P380-Y382 HydrophobicContact CG-CE1 3.29Å; P380-Y382 PolarHBondContact O-N 3.39Å; Y382-F385 WeakPolarHBondContact O-CE1 3.36Å; Y382-V418 WeakPolarHBondContact OH-CG1 3.2Å; Y382-N445 WeakPolarHBondContact CB-O 3.47Å; Y382-N445 VanDerWaalsContact O-CB 3.25Å; Y382-N445 WeakPolarHBondContact O-CB 3.47Å; Y382-N445 PolarHBondContact O-ND2 2.9Å; Y382-N445 VanDerWaalsContact O-ND2 3.11Å; Y382-D453 HydrophobicContact CD1-CB 4.42Å; Y382-D453 HydrophobicContact CE1-CB 3.68Å; Y382-D453 WeakPolarHBondContact CE1-OD2 3.36Å; Y382-D453 PolarHBondContact OH-OD2 3.19Å; Y382-L460 HydrophobicContact CE2-CD1 4.18Å; Y382-L460 HydrophobicContact CE2-CD2 4.09Å
383L96.6Very high89.2Confident0 Ų025.7 Ų25.70%012%0.124CC..G310 helixtrans-106.212.5174.6-60.3178.7000113.1I379 P380 E381 F385 I386 V418 C421 F425I379-L383 HydrophobicContact CD1-CB 3.54Å; I379-L383 HydrophobicContact CD1-CD1 4.3Å; I379-L383 HydrophobicContact CG1-CB 3.66Å; I379-L383 HydrophobicContact CG1-CD1 4.18Å; P380-L383 HydrophobicContact CG-CB 4.32Å; P380-L383 HydrophobicContact CG-CD1 3.86Å; P380-L383 HydrophobicContact CG-CG 4.03Å; P380-L383 PolarHBondContact O-N 3.04Å; E381-L383 PolarHBondContact O-N 3.24Å; L383-F385 HydrophobicContact CD2-CE1 4.29Å; L383-F385 HydrophobicContact CD2-CZ 4.45Å; L383-F385 PolarHBondContact O-N 3.36Å; L383-I386 HydrophobicContact CB-CG1 4.32Å; L383-I386 WeakPolarHBondContact O-CB 3.42Å; L383-I386 WeakPolarHBondContact O-CG1 3.2Å; L383-I386 PolarHBondContact O-N 3.33Å; L383-V418 HydrophobicContact CD1-CG2 4.04Å; L383-C421 HydrophobicContact CD1-CB 3.92Å; L383-F425 HydrophobicContact CD2-CE2 3.51Å; L383-F425 HydrophobicContact CD2-CZ 3.76Å
384N94Very high89.3Confident18 Ų1827.7 Ų27.710%0.09614%0.135CC..THydrogen-bonded Turntrans-69.121.2-178.3-16724.8000114.4N361 E381N361-N384 PolarHBondContact ND2-O 3.47Å; N361-N384 PolarHBondContact ND2-OD1 3.26Å; E381-N384 WeakPolarHBondContact O-CB 3.42Å; E381-N384 PolarHBondContact O-N 2.94Å; E381-N384 PolarHBondContact OE1-ND2 2.56Å
385F95.5Very high89.8Confident0 Ų024.4 Ų24.40%012%0.118CC..THydrogen-bonded Turntrans-106.7-21.5166.961.9-86.7000112.1V344 P345 L352 Y382 L383 R387 F425 F438 F442 N445V344-F385 HydrophobicContact CG1-CE2 4.3Å; P345-F385 WeakPolarHBondContact CD-O 3.46Å; P345-F385 WeakPolarHBondContact CG-O 3.4Å; L352-F385 HydrophobicContact CD1-CB 3.8Å; Y382-F385 WeakPolarHBondContact O-CE1 3.36Å; L383-F385 HydrophobicContact CD2-CE1 4.29Å; L383-F385 HydrophobicContact CD2-CZ 4.45Å; L383-F385 PolarHBondContact O-N 3.36Å; F385-R387 PolarHBondContact O-N 2.98Å; F385-R387 PolarHBondContact O-NH1 3.19Å; F385-F425 HydrophobicContact CE2-CE1 4.33Å; F385-F425 HydrophobicContact CE2-CZ 4.15Å; F385-F425 HydrophobicContact CZ-CE1 4.16Å; F385-F425 HydrophobicContact CZ-CE2 4.41Å; F385-F425 AromaticContact CZ-CZ 3.59Å; F385-F425 HydrophobicContact CZ-CZ 3.59Å; F385-F438 AromaticContact CE2-CE2 3.94Å; F385-F438 HydrophobicContact CE2-CE2 3.94Å; F385-F438 HydrophobicContact CZ-CE2 4.06Å; F385-F438 HydrophobicContact CZ-CZ 4.34Å; F385-F442 HydrophobicContact CB-CD1 3.83Å; F385-F442 HydrophobicContact CB-CE1 3.46Å; F385-F442 VanDerWaalsContact CB-CE1 3.46Å; F385-F442 HydrophobicContact CB-CZ 4.3Å; F385-F442 AromaticContact CD1-CD1 3.9Å; F385-F442 HydrophobicContact CD1-CD1 3.9Å; F385-F442 HydrophobicContact CD1-CE1 4.39Å; F385-F442 HydrophobicContact CD1-CG 4.5Å; F385-F442 AromaticContact CD2-CD1 3.61Å; F385-F442 HydrophobicContact CD2-CD1 3.61Å; F385-F442 HydrophobicContact CD2-CD2 4.24Å; F385-F442 AromaticContact CD2-CE1 3.57Å; F385-F442 HydrophobicContact CD2-CE1 3.57Å; F385-F442 HydrophobicContact CD2-CE2 4.2Å; F385-F442 AromaticContact CD2-CG 3.95Å; F385-F442 HydrophobicContact CD2-CG 3.95Å; F385-F442 AromaticContact CD2-CZ 3.88Å; F385-F442 HydrophobicContact CD2-CZ 3.88Å; F385-F442 HydrophobicContact CE1-CB 4.44Å; F385-F442 HydrophobicContact CE1-CD1 4.34Å; F385-F442 HydrophobicContact CE2-CB 4.44Å; F385-F442 HydrophobicContact CE2-CD1 4.07Å; F385-F442 HydrophobicContact CE2-CD2 4.18Å; F385-F442 HydrophobicContact CE2-CE1 4.39Å; F385-F442 HydrophobicContact CE2-CE2 4.48Å; F385-F442 AromaticContact CE2-CG 3.96Å; F385-F442 HydrophobicContact CE2-CG 3.96Å; F385-F442 AromaticContact CG-CD1 3.5Å; F385-F442 HydrophobicContact CG-CD1 3.5Å; F385-F442 VanDerWaalsContact CG-CD1 3.5Å; F385-F442 AromaticContact CG-CE1 3.56Å; F385-F442 HydrophobicContact CG-CE1 3.56Å; F385-F442 HydrophobicContact CG-CG 4.22Å; F385-F442 HydrophobicContact CG-CZ 4.32Å; F385-F442 HydrophobicContact CZ-CB 4.24Å; F385-F442 HydrophobicContact CZ-CD1 4.41Å; F385-F442 HydrophobicContact CZ-CG 4.23Å; F385-N445 HydrophobicContact CD1-CB 3.96Å; F385-N445 HydrophobicContact CE1-CB 3.69Å
386I96.8Very high90.4Very high1 Ų125.8 Ų25.81%0.00513%0.127CC..  trans-65.6121.3-178.7-61.6-65.2000109.5L342 F343 V344 N361 I362 I379 L383 F425L342-I386 HydrophobicContact CB-CG2 3.98Å; L342-I386 HydrophobicContact CD2-CG2 4.01Å; L342-I386 HydrophobicContact CG-CG2 4.46Å; F343-I386 WeakPolarHBondContact O-CA 3.45Å; V344-I386 HydrophobicContact CG2-CD1 3.62Å; N361-I386 VanDerWaalsContact CB-O 3.27Å; N361-I386 WeakPolarHBondContact CB-O 3.45Å; I362-I386 HydrophobicContact CD1-CG2 4.35Å; I379-I386 HydrophobicContact CD1-CB 4Å; I379-I386 HydrophobicContact CD1-CG1 4.42Å; I379-I386 HydrophobicContact CD1-CG2 4.42Å; L383-I386 HydrophobicContact CB-CG1 4.32Å; L383-I386 WeakPolarHBondContact O-CB 3.42Å; L383-I386 WeakPolarHBondContact O-CG1 3.2Å; L383-I386 PolarHBondContact O-N 3.33Å; I386-F425 HydrophobicContact CD1-CE1 4Å; I386-F425 HydrophobicContact CD1-CZ 3.96Å
387R95.9Very high90.7Very high47 Ų4720.9 Ų20.918%0.17710%0.104CC..EExtended strand (participates in β ladder)trans-92.9149.2174.5-63.4-61-153.7-76.5-1109.7Y314 T318 L342 F343 P345 N361 F385Y314-R387 HydrophobicContact CE2-CB 4.35Å; Y314-R387 HydrophobicContact CE2-CG 4.46Å; T318-R387 HydrophobicContact CG2-CB 3.92Å; T318-R387 HydrophobicContact CG2-CG 3.83Å; L342-R387 CarbonylContact C-O 3.55Å; F343-R387 HydrophobicContact CB-CB 4.32Å; F343-R387 PolarHBondContact N-O 2.87Å; F343-R387 PolarHBondContact O-N 3Å; P345-R387 HydrophobicContact CG-CG 4.12Å; N361-R387 CarbonylContact O-C 3.53Å; N361-R387 VanDerWaalsContact O-CA 3.31Å; N361-R387 WeakPolarHBondContact O-CA 3.48Å; N361-R387 VanDerWaalsContact OD1-CD 3.29Å; N361-R387 WeakPolarHBondContact OD1-CD 3.38Å; N361-R387 PolarHBondContact OD1-NE 3.43Å; N361-R387 VanDerWaalsContact OD1-NE 3.08Å; N361-R387 PolarHBondContact OD1-NH1 3.06Å; F385-R387 PolarHBondContact O-N 2.98Å; F385-R387 PolarHBondContact O-NH1 3.19Å
388G95.4Very high90.7Very high0 Ų018.6 Ų18.60%09%0.094CC..EExtended strand (participates in β ladder)trans175.9-177.917700000116.8L341 N361 I362 K363L341-G388 CarbonylContact O-C 3.56Å; L341-G388 WeakPolarHBondContact O-CA 3.09Å; N361-G388 PolarHBondContact O-N 3.33Å; I362-G388 WeakPolarHBondContact CA-O 3.36Å; K363-G388 PolarHBondContact N-O 3.02Å
389V95Very high90.4Very high0 Ų022 Ų220%011%0.112CC..EExtended strand (participates in β ladder)trans-129.8136.4175.6173.30000108.2W298 F313 L317 A340 L341 K363 Y365W298-V389 HydrophobicContact CD2-CG1 4.24Å; W298-V389 HydrophobicContact CE3-CB 4.33Å; W298-V389 HydrophobicContact CE3-CG1 3.93Å; W298-V389 HydrophobicContact CH2-CG1 3.79Å; W298-V389 HydrophobicContact CZ2-CG1 4.13Å; W298-V389 HydrophobicContact CZ3-CB 4.22Å; W298-V389 HydrophobicContact CZ3-CG1 3.72Å; W298-V389 HydrophobicContact CZ3-CG2 4.27Å; F313-V389 HydrophobicContact CZ-CG2 4.08Å; L317-V389 HydrophobicContact CD1-CG2 3.77Å; L317-V389 HydrophobicContact CD2-CG2 3.98Å; A340-V389 WeakPolarHBondContact CA-O 3.44Å; A340-V389 WeakPolarHBondContact CB-O 3.49Å; L341-V389 PolarHBondContact N-O 3.42Å; L341-V389 PolarHBondContact O-N 2.9Å; K363-V389 WeakPolarHBondContact O-CA 3.4Å; Y365-V389 HydrophobicContact CD2-CG1 3.55Å; Y365-V389 HydrophobicContact CE2-CG1 3.87Å; Y365-V389 HydrophobicContact CE2-CG2 4.12Å; Y365-V389 HydrophobicContact CG-CG1 4.41Å
390V95Very high89.8Confident0 Ų021.7 Ų21.70%011%0.111CC..EExtended strand (participates in β ladder)trans-119.3121166.7177.60000106.4F338 A340 I362 K363 L364 Y365 I413 L417F338-V390 HydrophobicContact CB-CG1 4.37Å; F338-V390 HydrophobicContact CD2-CG1 3.77Å; F338-V390 HydrophobicContact CE2-CG1 4.36Å; F338-V390 HydrophobicContact CG-CG1 4.27Å; A340-V390 HydrophobicContact CB-CG2 4.08Å; I362-V390 HydrophobicContact CG2-CG2 3.75Å; K363-V390 PolarHBondContact O-N 2.93Å; L364-V390 CarbonylContact C-O 3.59Å; L364-V390 WeakPolarHBondContact CA-O 3.35Å; L364-V390 HydrophobicContact CD1-CB 4.01Å; L364-V390 HydrophobicContact CD1-CG1 3.83Å; Y365-V390 PolarHBondContact N-O 3.41Å; V390-I413 HydrophobicContact CG1-CG2 4.16Å; V390-L417 HydrophobicContact CG2-CD1 4.18Å; V390-L417 HydrophobicContact CG2-CD2 3.79Å
391D94Very high89.2Confident6 Ų622.3 Ų22.33%0.03211%0.112CC..EExtended strand (participates in β ladder)trans-121128.2176.4-170.425.1000109.6W298 F338 R339 Y365 R367 R368W298-D391 HydrophobicContact CZ2-CB 4.13Å; W298-D391 PolarHBondContact NE1-OD2 3.08Å; F338-D391 CarbonylContact C-O 3.53Å; F338-D391 VanDerWaalsContact CA-O 3.24Å; F338-D391 WeakPolarHBondContact CA-O 3.37Å; F338-D391 WeakPolarHBondContact CB-O 3.46Å; R339-D391 PolarHBondContact N-O 3.43Å; R339-D391 PolarHBondContact O-N 3.48Å; Y365-D391 WeakPolarHBondContact CB-OD1 3.22Å; Y365-D391 WeakPolarHBondContact O-CA 3.37Å; R367-D391 PolarHBondContact N-OD1 3.16Å; R368-D391 WeakPolarHBondContact CG-OD2 3.37Å; R368-D391 PolarHBondContact N-OD1 3.2Å; R368-D391 PolarHBondContact N-OD2 3.21Å
392S91.2Very high88.5Confident0 Ų021.4 Ų21.40%011%0.108CC..EExtended strand (participates in β ladder)trans-126.4148.2-178.6177.20000110.6E337 Y365 V366 R367 D394 L395E337-S392 WeakPolarHBondContact O-CA 3.34Å; E337-S392 WeakPolarHBondContact O-CB 3.21Å; E337-S392 PolarHBondContact O-OG 3.5Å; Y365-S392 PolarHBondContact O-N 3.11Å; Y365-S392 VanDerWaalsContact O-N 3.13Å; V366-S392 CarbonylContact C-O 3.6Å; V366-S392 WeakPolarHBondContact CA-O 3.21Å; R367-S392 PolarHBondContact N-O 3.39Å; S392-D394 PolarHBondContact OG-OD1 3.47Å; S392-L395 WeakPolarHBondContact OG-CG 3.25Å
393E84.2Confident87.7Confident63 Ų6327.2 Ų27.229%0.29414%0.137SC..SBendtrans-92.7-19.3-178.5-63.3-67.515700112S129 R367S129-E393 VanDerWaalsContact CB-OE2 3.29Å; S129-E393 WeakPolarHBondContact CB-OE2 3.45Å; S129-E393 PolarHBondContact OG-OE2 2.64Å; R367-E393 WeakPolarHBondContact CG-OE2 3.07Å; R367-E393 PolarHBondContact NE-O 3.32Å; R367-E393 PolarHBondContact NH2-O 2.61Å
394D81.1Confident86.8Confident69 Ų6928.2 Ų28.237%0.36914%0.142SC..SBendtrans-128.614.9-161.968-19.6000115.2E337 S392E337-D394 PolarHBondContact N-OD1 3.34Å; E337-D394 PolarHBondContact N-OD2 2.94Å; S392-D394 PolarHBondContact OG-OD1 3.47Å
395L83.8Confident86Confident12 Ų1233.3 Ų33.36%0.06317%0.165CC..  trans-69.7131.6179.9-74.1-176.6000113.7L336 L364 V366 S392 L397 L404 I409 I413L336-L395 HydrophobicContact CD1-CD2 3.64Å; L364-L395 HydrophobicContact CD1-CD1 3.89Å; L364-L395 HydrophobicContact CD2-CD1 4.07Å; L364-L395 HydrophobicContact CG-CD1 4.32Å; V366-L395 HydrophobicContact CG2-CB 3.68Å; V366-L395 HydrophobicContact CG2-CD1 3.73Å; V366-L395 HydrophobicContact CG2-CG 4.12Å; S392-L395 WeakPolarHBondContact OG-CG 3.25Å; L395-L397 PolarHBondContact O-N 3.23Å; L395-L404 HydrophobicContact CB-CD1 3.72Å; L395-L404 HydrophobicContact CD1-CD1 4.22Å; L395-L404 HydrophobicContact CD2-CD1 4.11Å; L395-L404 HydrophobicContact CG-CD1 4.22Å; L395-I409 HydrophobicContact CD2-CB 4.5Å; L395-I409 HydrophobicContact CD2-CD1 4.47Å; L395-I409 HydrophobicContact CD2-CG2 3.37Å; L395-I413 HydrophobicContact CD1-CD1 4.44Å; L395-I413 HydrophobicContact CD2-CD1 4.41Å
396P81.2Confident85Confident43 Ų4338.4 Ų38.428%0.27919%0.189SC..  trans-75.395.3175.630.2-34.7000111.4L404 Q405 I409P396-L404 HydrophobicContact CG-CD1 4.41Å; P396-L404 WeakPolarHBondContact O-CD1 3.4Å; P396-Q405 PolarHBondContact O-N 3.07Å; P396-Q405 VanDerWaalsContact O-N 3.09Å; P396-I409 VanDerWaalsContact CD-CD1 3.44Å; P396-I409 HydrophobicContact CG-CD1 3.47Å; P396-I409 VanDerWaalsContact CG-CD1 3.47Å
397L82Confident84Confident15 Ų1541.2 Ų41.28%0.07921%0.209CC..BIsolated β-bridgetrans-76.7148.6177.9-63.4178.5000112.5V366 I371 L395 R401 L404 Q405V366-L397 HydrophobicContact CB-CD1 4.15Å; V366-L397 HydrophobicContact CG1-CD1 4.05Å; V366-L397 HydrophobicContact CG1-CG 4.47Å; V366-L397 HydrophobicContact CG2-CD1 4.47Å; V366-L397 HydrophobicContact CG2-CD2 4.01Å; V366-L397 HydrophobicContact CG2-CG 4.45Å; I371-L397 HydrophobicContact CB-CD2 4.49Å; I371-L397 HydrophobicContact CD1-CD1 3.6Å; I371-L397 HydrophobicContact CD1-CD2 3.94Å; I371-L397 HydrophobicContact CD1-CG 4.43Å; I371-L397 HydrophobicContact CG1-CD1 4.41Å; I371-L397 HydrophobicContact CG1-CD2 3.96Å; I371-L397 HydrophobicContact CG2-CD2 3.74Å; L395-L397 PolarHBondContact O-N 3.23Å; L397-R401 HydrophobicContact CD1-CB 4.26Å; L397-R401 HydrophobicContact CD1-CG 4.22Å; L397-L404 HydrophobicContact CD2-CD1 4.47Å; L397-Q405 PolarHBondContact O-NE2 3.39Å
398N81.7Confident83.5Confident32 Ų3246.7 Ų46.717%0.17123%0.234CC..  trans-69.1171.9167.577.4-20.7000111.1S400 R401 E402 M403 Q405N398-S400 PolarHBondContact ND2-OG 3.31Å; N398-S400 PolarHBondContact O-N 3.25Å; N398-S400 PolarHBondContact OD1-OG 3.16Å; N398-R401 PolarHBondContact O-N 3.43Å; N398-R401 WeakPolarHBondContact OD1-CA 3.47Å; N398-R401 PolarHBondContact OD1-N 2.9Å; N398-E402 PolarHBondContact OD1-N 2.91Å; N398-E402 VanDerWaalsContact OD1-N 3.12Å; N398-M403 WeakPolarHBondContact CB-O 3.08Å; N398-M403 PolarHBondContact N-O 3.34Å; N398-M403 PolarHBondContact OD1-N 3.48Å; N398-M403 VanDerWaalsContact OD1-N 3.12Å; N398-M403 PolarHBondContact OD1-O 3.38Å; N398-Q405 HydrophobicContact CB-CG 4.1Å
399I80.4Confident83.1Confident73 Ų7348 Ų4837%0.37424%0.241SC..THydrogen-bonded Turntrans-63-29.7-177.3-163.9151.3000113.4F37 V136 R401F37-I399 HydrophobicContact CD2-CD1 3.87Å; F37-I399 HydrophobicContact CD2-CG1 3.93Å; F37-I399 HydrophobicContact CD2-CG2 4.23Å; F37-I399 HydrophobicContact CE2-CD1 3.38Å; F37-I399 HydrophobicContact CE2-CG1 3.99Å; F37-I399 HydrophobicContact CG-CG2 4.35Å; F37-I399 HydrophobicContact CZ-CD1 4.09Å; V136-I399 HydrophobicContact CG2-CG1 4.17Å; I399-R401 VanDerWaalsContact C-N 3.3Å
400S79.8Confident82.7Confident9 Ų948.6 Ų48.66%0.06324%0.244CC..THydrogen-bonded Turntrans-78.6-12.917776.50000113.6F37 R46 N398 E402F37-S400 WeakPolarHBondContact O-CB 3.37Å; R46-S400 PolarHBondContact NH2-O 2.86Å; N398-S400 PolarHBondContact ND2-OG 3.31Å; N398-S400 PolarHBondContact O-N 3.25Å; N398-S400 PolarHBondContact OD1-OG 3.16Å; S400-E402 PolarHBondContact O-N 3.31Å; S400-E402 WeakPolarHBondContact OG-CB 3.33Å; S400-E402 PolarHBondContact OG-N 2.84Å
401R81Confident82.4Confident20 Ų2054.4 Ų54.48%0.07527%0.269CS..SBendtrans54.524.2-169.5-54.4173.5-178.6-103.32.9114.2E47 I131 F134 L397 N398 I399E47-R401 IonicContact OE2-NE 3.62Å; I131-R401 VanDerWaalsContact O-CZ 3.24Å; I131-R401 PolarHBondContact O-NH1 2.93Å; I131-R401 PolarHBondContact O-NH2 2.91Å; F134-R401 HydrophobicContact CD2-CG 4.49Å; F134-R401 HydrophobicContact CE2-CG 4Å; L397-R401 HydrophobicContact CD1-CB 4.26Å; L397-R401 HydrophobicContact CD1-CG 4.22Å; N398-R401 PolarHBondContact O-N 3.43Å; N398-R401 WeakPolarHBondContact OD1-CA 3.47Å; N398-R401 PolarHBondContact OD1-N 2.9Å; I399-R401 VanDerWaalsContact C-N 3.3Å
402E79Confident82.3Confident40 Ų4057.5 Ų57.519%0.18729%0.288CS..SBendtrans-104.2-18.6176.7-60.6-178.915200112S39 I43 N398 S400S39-E402 PolarHBondContact OG-OE2 3.12Å; I43-E402 VanDerWaalsContact CG2-OE1 3.29Å; I43-E402 WeakPolarHBondContact CG2-OE1 3.33Å; N398-E402 PolarHBondContact OD1-N 2.91Å; N398-E402 VanDerWaalsContact OD1-N 3.12Å; S400-E402 PolarHBondContact O-N 3.31Å; S400-E402 WeakPolarHBondContact OG-CB 3.33Å; S400-E402 PolarHBondContact OG-N 2.84Å
403M77.5Confident82.3Confident123 Ų12357.5 Ų57.561%0.60629%0.288SS*.SBendtrans-134.2150.1-178.2-60.4-178.869.900111.7N398N398-M403 WeakPolarHBondContact CB-O 3.08Å; N398-M403 PolarHBondContact N-O 3.34Å; N398-M403 PolarHBondContact OD1-N 3.48Å; N398-M403 VanDerWaalsContact OD1-N 3.12Å; N398-M403 PolarHBondContact OD1-O 3.38Å
404L79.6Confident82.8Confident21 Ų2159.1 Ų59.111%0.1129%0.292CS..BIsolated β-bridgetrans-82.6138.5171.4-167.173.7000109.5M372 L395 P396 L397 Q406 I409 L410M372-L404 HydrophobicContact CE-CB 4.2Å; L395-L404 HydrophobicContact CB-CD1 3.72Å; L395-L404 HydrophobicContact CD1-CD1 4.22Å; L395-L404 HydrophobicContact CD2-CD1 4.11Å; L395-L404 HydrophobicContact CG-CD1 4.22Å; P396-L404 HydrophobicContact CG-CD1 4.41Å; P396-L404 WeakPolarHBondContact O-CD1 3.4Å; L397-L404 HydrophobicContact CD2-CD1 4.47Å; L404-Q406 WeakPolarHBondContact CD2-O 3.36Å; L404-I409 HydrophobicContact CD2-CB 4.02Å; L404-I409 HydrophobicContact CD2-CG2 4.35Å; L404-L410 HydrophobicContact CD2-CD1 4.35Å; L404-L410 HydrophobicContact CD2-CD2 3.9Å; L404-L410 HydrophobicContact CD2-CG 3.73Å
405Q76.4Confident83.4Confident126 Ų12662.8 Ų62.859%0.58930%0.304SS*.SBendtrans-71.6-29.1-179.6-63.1-174.4600113.3P396 L397 N398P396-Q405 PolarHBondContact O-N 3.07Å; P396-Q405 VanDerWaalsContact O-N 3.09Å; L397-Q405 PolarHBondContact O-NE2 3.39Å; N398-Q405 HydrophobicContact CB-CG 4.1Å
406Q74.7Confident84Confident106 Ų10664.3 Ų64.350%0.49531%0.312SS..  trans-123.7106-171.8-64-170.80.600112.9L404 K408 I409L404-Q406 WeakPolarHBondContact CD2-O 3.36Å; Q406-K408 PolarHBondContact O-N 3.41Å; Q406-K408 VanDerWaalsContact O-N 3.14Å; Q406-I409 HydrophobicContact CB-CD1 4.12Å; Q406-I409 HydrophobicContact CB-CG1 4.31Å; Q406-I409 PolarHBondContact O-N 3.31Å
407S75.7Confident84.7Confident60 Ų6062.2 Ų62.242%0.4230%0.299SS..Hα-helixtrans-61.9-21.3176.659.80000114.4I409 L410 K411S407-I409 PolarHBondContact O-N 3.19Å; S407-L410 PolarHBondContact O-N 3.18Å; S407-K411 PolarHBondContact O-N 3.46Å
408K84.8Confident85.5Confident163 Ų16361.9 Ų61.971%0.70930%0.298SS*.Hα-helixtrans-59.9-35.1176.5-70.2-176.4-178.8176.50112.6Q406 K411 V412Q406-K408 PolarHBondContact O-N 3.41Å; Q406-K408 VanDerWaalsContact O-N 3.14Å; K408-K411 PolarHBondContact O-N 2.99Å; K408-V412 PolarHBondContact O-N 3.42Å
409I86.5Confident86.2Confident27 Ų2765.3 Ų65.314%0.13831%0.311CS..Hα-helixtrans-67.8-41.6-179.8-62.5172.6000110.3L336 L395 P396 L404 Q406 S407 K411 V412 I413L336-I409 HydrophobicContact CD1-CG2 3.64Å; L336-I409 HydrophobicContact CD2-CG2 3.8Å; L336-I409 HydrophobicContact CG-CG2 4.37Å; L395-I409 HydrophobicContact CD2-CB 4.5Å; L395-I409 HydrophobicContact CD2-CD1 4.47Å; L395-I409 HydrophobicContact CD2-CG2 3.37Å; P396-I409 VanDerWaalsContact CD-CD1 3.44Å; P396-I409 HydrophobicContact CG-CD1 3.47Å; P396-I409 VanDerWaalsContact CG-CD1 3.47Å; L404-I409 HydrophobicContact CD2-CB 4.02Å; L404-I409 HydrophobicContact CD2-CG2 4.35Å; Q406-I409 HydrophobicContact CB-CD1 4.12Å; Q406-I409 HydrophobicContact CB-CG1 4.31Å; Q406-I409 PolarHBondContact O-N 3.31Å; S407-I409 PolarHBondContact O-N 3.19Å; I409-K411 VanDerWaalsContact C-N 3.25Å; I409-K411 PolarHBondContact O-N 2.79Å; I409-V412 WeakPolarHBondContact O-CB 3.38Å; I409-V412 PolarHBondContact O-N 3.34Å; I409-I413 HydrophobicContact CG2-CD1 4.16Å; I409-I413 HydrophobicContact CG2-CG1 4.45Å; I409-I413 PolarHBondContact O-N 3.37Å
410L87.3Confident87Confident13 Ų1364.3 Ų64.37%0.06830%0.304CS..Hα-helixtrans-58.4-37.8175.9-63.4172.1000112L364 C375 E377 L378 L404 S407 V412 I413 R414L364-L410 HydrophobicContact CD2-CD2 4.32Å; C375-L410 VanDerWaalsContact SG-CD1 3.6Å; E377-L410 HydrophobicContact CB-CB 4.31Å; E377-L410 HydrophobicContact CB-CD1 4.38Å; L378-L410 HydrophobicContact CD2-CD2 3.81Å; L378-L410 HydrophobicContact CG-CD2 4.2Å; L404-L410 HydrophobicContact CD2-CD1 4.35Å; L404-L410 HydrophobicContact CD2-CD2 3.9Å; L404-L410 HydrophobicContact CD2-CG 3.73Å; S407-L410 PolarHBondContact O-N 3.18Å; L410-V412 VanDerWaalsContact C-N 3.31Å; L410-V412 PolarHBondContact O-N 3.29Å; L410-I413 PolarHBondContact O-N 3.16Å; L410-R414 WeakPolarHBondContact O-CB 3.27Å; L410-R414 PolarHBondContact O-N 3.1Å
411K88.6Confident87.9Confident121 Ų12163.9 Ų63.953%0.52630%0.301SS..Hα-helixtrans-63.8-34.5175-66.1-179.3-179.3178.30113S407 K408 I409 K415S407-K411 PolarHBondContact O-N 3.46Å; K408-K411 PolarHBondContact O-N 2.99Å; I409-K411 VanDerWaalsContact C-N 3.25Å; I409-K411 PolarHBondContact O-N 2.79Å; K411-K415 WeakPolarHBondContact O-CG 3.49Å; K411-K415 PolarHBondContact O-N 2.71Å; K411-K415 VanDerWaalsContact O-N 3.16Å
412V91.2Very high88.7Confident72 Ų7263 Ų6344%0.43630%0.298SS..Hα-helixtrans-70.8-46.6175.91780000110.2L336 K408 I409 L410 R414 K415 N416L336-V412 HydrophobicContact CD2-CB 4.33Å; L336-V412 HydrophobicContact CD2-CG1 4.09Å; K408-V412 PolarHBondContact O-N 3.42Å; I409-V412 WeakPolarHBondContact O-CB 3.38Å; I409-V412 PolarHBondContact O-N 3.34Å; L410-V412 VanDerWaalsContact C-N 3.31Å; L410-V412 PolarHBondContact O-N 3.29Å; V412-R414 VanDerWaalsContact C-N 3.33Å; V412-R414 PolarHBondContact O-N 3.18Å; V412-K415 PolarHBondContact O-N 3.1Å; V412-N416 PolarHBondContact O-N 3.36Å; V412-N416 PolarHBondContact O-ND2 3.49Å
413I92.7Very high89.6Confident0 Ų063.4 Ų63.40%030%0.3CS..Hα-helixtrans-56.1-49.6174.2-61.6175.8000109.7L336 F338 L378 V390 L395 I409 L410 K415 N416 L417L336-I413 HydrophobicContact CD2-CD1 4.22Å; L336-I413 HydrophobicContact CD2-CG1 3.53Å; F338-I413 HydrophobicContact CD1-CG1 4.41Å; F338-I413 HydrophobicContact CE1-CG1 4.17Å; F338-I413 HydrophobicContact CE2-CG2 4.35Å; F338-I413 HydrophobicContact CZ-CG2 4.2Å; L378-I413 HydrophobicContact CD2-CB 4.02Å; L378-I413 HydrophobicContact CD2-CD1 4.47Å; L378-I413 HydrophobicContact CD2-CG2 3.57Å; V390-I413 HydrophobicContact CG1-CG2 4.16Å; L395-I413 HydrophobicContact CD1-CD1 4.44Å; L395-I413 HydrophobicContact CD2-CD1 4.41Å; I409-I413 HydrophobicContact CG2-CD1 4.16Å; I409-I413 HydrophobicContact CG2-CG1 4.45Å; I409-I413 PolarHBondContact O-N 3.37Å; L410-I413 PolarHBondContact O-N 3.16Å; I413-K415 VanDerWaalsContact C-N 3.34Å; I413-K415 PolarHBondContact O-N 3.11Å; I413-N416 PolarHBondContact O-N 3.32Å; I413-L417 HydrophobicContact CG2-CD1 3.68Å; I413-L417 HydrophobicContact CG2-CG 3.96Å; I413-L417 WeakPolarHBondContact O-CG 3.07Å; I413-L417 PolarHBondContact O-N 3.16Å
414R94Very high90.6Very high97 Ų9757.9 Ų57.937%0.36627%0.272SS..Hα-helixtrans-53.3-46.9177.7176.3172.5164.6-175.13112.9E377 L378 L410 V412 N416 L417 V418E377-R414 WeakPolarHBondContact O-CB 3.34Å; E377-R414 WeakPolarHBondContact O-CD 3.37Å; L378-R414 VanDerWaalsContact O-CA 3.22Å; L378-R414 WeakPolarHBondContact O-CA 3.42Å; L378-R414 WeakPolarHBondContact O-CB 3.45Å; L378-R414 WeakPolarHBondContact O-CG 3.42Å; L410-R414 WeakPolarHBondContact O-CB 3.27Å; L410-R414 PolarHBondContact O-N 3.1Å; V412-R414 VanDerWaalsContact C-N 3.33Å; V412-R414 PolarHBondContact O-N 3.18Å; R414-N416 VanDerWaalsContact C-N 3.3Å; R414-N416 PolarHBondContact O-N 3.3Å; R414-L417 PolarHBondContact O-N 3.16Å; R414-V418 HydrophobicContact CG-CG2 4.25Å; R414-V418 WeakPolarHBondContact O-CB 3.32Å; R414-V418 VanDerWaalsContact O-CG2 3.25Å; R414-V418 WeakPolarHBondContact O-CG2 3.48Å; R414-V418 PolarHBondContact O-N 2.74Å
415K94.3Very high91.5Very high145 Ų14556.9 Ų56.963%0.6327%0.267SS*.Hα-helixtrans-59.4-41.9178.4-77.7-179.2177.2-175.10112K411 V412 I413 K419K411-K415 WeakPolarHBondContact O-CG 3.49Å; K411-K415 PolarHBondContact O-N 2.71Å; K411-K415 VanDerWaalsContact O-N 3.16Å; V412-K415 PolarHBondContact O-N 3.1Å; I413-K415 VanDerWaalsContact C-N 3.34Å; I413-K415 PolarHBondContact O-N 3.11Å; K415-K419 WeakPolarHBondContact O-CB 3.48Å; K415-K419 PolarHBondContact O-N 2.89Å
416N95.7Very high92.5Very high44 Ų4454 Ų5424%0.23526%0.258CS..Hα-helixtrans-69.7-43.8178-75.5-38.7000112.1V332 F338 V412 I413 R414 K419 K420V332-N416 HydrophobicContact CG2-CB 4.27Å; F338-N416 HydrophobicContact CZ-CB 3.86Å; V412-N416 PolarHBondContact O-N 3.36Å; V412-N416 PolarHBondContact O-ND2 3.49Å; I413-N416 PolarHBondContact O-N 3.32Å; R414-N416 VanDerWaalsContact C-N 3.3Å; R414-N416 PolarHBondContact O-N 3.3Å; N416-K419 PolarHBondContact O-N 3.46Å; N416-K420 WeakPolarHBondContact O-CG 3.49Å; N416-K420 PolarHBondContact O-N 2.97Å
417L96.6Very high93.5Very high0 Ų053 Ų530%025%0.253CS..Hα-helixtrans-58.6-49.4175.3-65.9172.6000110.9F330 A340 L342 I362 L378 V390 I413 R414 K419 K420 C421F330-L417 HydrophobicContact CE1-CD2 4.26Å; F330-L417 HydrophobicContact CZ-CD2 3.7Å; A340-L417 HydrophobicContact CB-CD2 4.28Å; L342-L417 HydrophobicContact CD1-CD2 4.13Å; L342-L417 HydrophobicContact CD2-CD2 3.93Å; L342-L417 HydrophobicContact CG-CD2 4.43Å; I362-L417 HydrophobicContact CD1-CD1 4.46Å; L378-L417 HydrophobicContact CB-CD1 4.46Å; L378-L417 HydrophobicContact CD2-CD1 4.31Å; L378-L417 WeakPolarHBondContact O-CD1 3.24Å; V390-L417 HydrophobicContact CG2-CD1 4.18Å; V390-L417 HydrophobicContact CG2-CD2 3.79Å; I413-L417 HydrophobicContact CG2-CD1 3.68Å; I413-L417 HydrophobicContact CG2-CG 3.96Å; I413-L417 WeakPolarHBondContact O-CG 3.07Å; I413-L417 PolarHBondContact O-N 3.16Å; R414-L417 PolarHBondContact O-N 3.16Å; L417-K419 PolarHBondContact O-N 3.3Å; L417-K420 PolarHBondContact O-N 3.41Å; L417-C421 PolarHBondContact O-N 3.47Å; L417-C421 PolarHBondContact O-SG 2.82Å; L417-C421 VanDerWaalsContact O-SG 3.33Å
418V97.3Very high94.5Very high8 Ų850.9 Ų50.95%0.04824%0.238CC..Hα-helixtrans-59.1-46.71781720000111.1P380 Y382 L383 R414 K420 C421 L422 N456P380-V418 VanDerWaalsContact CD-CG2 3.43Å; P380-V418 HydrophobicContact CG-CG2 3.7Å; Y382-V418 WeakPolarHBondContact OH-CG1 3.2Å; L383-V418 HydrophobicContact CD1-CG2 4.04Å; R414-V418 HydrophobicContact CG-CG2 4.25Å; R414-V418 WeakPolarHBondContact O-CB 3.32Å; R414-V418 VanDerWaalsContact O-CG2 3.25Å; R414-V418 WeakPolarHBondContact O-CG2 3.48Å; R414-V418 PolarHBondContact O-N 2.74Å; V418-K420 VanDerWaalsContact C-N 3.3Å; V418-K420 PolarHBondContact O-N 2.91Å; V418-C421 PolarHBondContact O-N 2.86Å; V418-L422 HydrophobicContact CG1-CD1 4.07Å; V418-L422 HydrophobicContact CG1-CG 4.47Å; V418-L422 WeakPolarHBondContact O-CG 3.46Å; V418-L422 PolarHBondContact O-N 3.31Å; V418-N456 WeakPolarHBondContact CG1-ND2 3.21Å
419K97.2Very high95.1Very high103 Ų10344.5 Ų44.545%0.44822%0.215SC..Hα-helixtrans-56.1-46.1177-179.9-178173.4-174.10111.3K415 N416 L417 L422 E423K415-K419 WeakPolarHBondContact O-CB 3.48Å; K415-K419 PolarHBondContact O-N 2.89Å; N416-K419 PolarHBondContact O-N 3.46Å; L417-K419 PolarHBondContact O-N 3.3Å; K419-L422 PolarHBondContact O-N 3.48Å; K419-E423 WeakPolarHBondContact CE-OE1 3.48Å; K419-E423 WeakPolarHBondContact O-CG 3.27Å; K419-E423 PolarHBondContact O-N 2.81Å
420K97.8Very high95.5Very high52 Ų5251.1 Ų51.123%0.22625%0.245CC..Hα-helixtrans-72.4-33.9-178.5-68.7-73.1169.8-1620113.4F330 L342 N416 L417 V418 E423 L424F330-K420 HydrophobicContact CB-CD 4.05Å; F330-K420 HydrophobicContact CB-CG 4.47Å; F330-K420 HydrophobicContact CD1-CB 3.96Å; F330-K420 HydrophobicContact CD1-CD 4.24Å; F330-K420 HydrophobicContact CD1-CG 3.86Å; F330-K420 HydrophobicContact CD2-CD 4.15Å; F330-K420 HydrophobicContact CD2-CG 3.76Å; F330-K420 HydrophobicContact CE1-CB 3.8Å; F330-K420 HydrophobicContact CE1-CG 3.93Å; F330-K420 HydrophobicContact CE2-CG 3.83Å; F330-K420 HydrophobicContact CG-CB 4.37Å; F330-K420 HydrophobicContact CG-CD 3.88Å; F330-K420 HydrophobicContact CG-CG 3.76Å; F330-K420 HydrophobicContact CZ-CB 4.08Å; F330-K420 HydrophobicContact CZ-CG 3.91Å; L342-K420 HydrophobicContact CD1-CB 4.5Å; N416-K420 WeakPolarHBondContact O-CG 3.49Å; N416-K420 PolarHBondContact O-N 2.97Å; L417-K420 PolarHBondContact O-N 3.41Å; V418-K420 VanDerWaalsContact C-N 3.3Å; V418-K420 PolarHBondContact O-N 2.91Å; K420-E423 WeakPolarHBondContact CD-OE2 3.31Å; K420-E423 WeakPolarHBondContact CE-OE2 3.4Å; K420-E423 IonicContact NZ-OE1 3.62Å; K420-E423 IonicContact NZ-OE2 3.76Å; K420-E423 PolarHBondContact NZ-OE2 3.19Å; K420-E423 PolarHBondContact O-N 3.33Å; K420-L424 WeakPolarHBondContact O-CB 3.49Å; K420-L424 PolarHBondContact O-N 2.86Å
421C98.1Very high95.8Very high0 Ų053.8 Ų53.80%026%0.26CS..Hα-helixtrans-61.2-45169.6-71.90000111.8L383 L417 V418 L424 F425L383-C421 HydrophobicContact CD1-CB 3.92Å; L417-C421 PolarHBondContact O-N 3.47Å; L417-C421 PolarHBondContact O-SG 2.82Å; L417-C421 VanDerWaalsContact O-SG 3.33Å; V418-C421 PolarHBondContact O-N 2.86Å; C421-L424 WeakPolarHBondContact O-CB 3.34Å; C421-L424 PolarHBondContact O-N 3.49Å; C421-F425 HydrophobicContact CB-CE2 4.34Å; C421-F425 HydrophobicContact CB-CZ 4.27Å; C421-F425 WeakPolarHBondContact O-CD1 3.43Å; C421-F425 WeakPolarHBondContact O-CD2 3.43Å; C421-F425 WeakPolarHBondContact O-CG 3.47Å; C421-F425 PolarHBondContact O-N 3.12Å
422L98Very high96.1Very high2 Ų254.7 Ų54.71%0.0126%0.264CS..Hα-helixtrans-68.3-36.4179.6-64.2174.9000112.3V418 K419 F425 T426 N456 K459 L460V418-L422 HydrophobicContact CG1-CD1 4.07Å; V418-L422 HydrophobicContact CG1-CG 4.47Å; V418-L422 WeakPolarHBondContact O-CG 3.46Å; V418-L422 PolarHBondContact O-N 3.31Å; K419-L422 PolarHBondContact O-N 3.48Å; L422-F425 HydrophobicContact CD2-CD2 4.16Å; L422-F425 PolarHBondContact O-N 2.84Å; L422-T426 WeakPolarHBondContact O-CB 3.44Å; L422-T426 PolarHBondContact O-N 2.84Å; L422-T426 PolarHBondContact O-OG1 2.86Å; L422-N456 HydrophobicContact CD1-CB 3.65Å; L422-N456 WeakPolarHBondContact CD1-OD1 3.26Å; L422-K459 HydrophobicContact CD1-CB 4.4Å; L422-K459 HydrophobicContact CD1-CD 4.14Å; L422-L460 HydrophobicContact CD2-CD2 3.52Å; L422-L460 HydrophobicContact CD2-CG 4.08Å
423E97.9Very high96.3Very high49 Ų4957.4 Ų57.423%0.22927%0.272CS..Hα-helixtrans-59.4-48.1169.5-74.1170.6-162.200110.5K419 K420 F425 T426 E427K419-E423 WeakPolarHBondContact CE-OE1 3.48Å; K419-E423 WeakPolarHBondContact O-CG 3.27Å; K419-E423 PolarHBondContact O-N 2.81Å; K420-E423 WeakPolarHBondContact CD-OE2 3.31Å; K420-E423 WeakPolarHBondContact CE-OE2 3.4Å; K420-E423 IonicContact NZ-OE1 3.62Å; K420-E423 IonicContact NZ-OE2 3.76Å; K420-E423 PolarHBondContact NZ-OE2 3.19Å; K420-E423 PolarHBondContact O-N 3.33Å; E423-F425 VanDerWaalsContact C-N 3.34Å; E423-F425 PolarHBondContact O-N 3.46Å; E423-T426 WeakPolarHBondContact O-CB 3.37Å; E423-T426 PolarHBondContact O-N 3.33Å; E423-T426 VanDerWaalsContact O-N 3.11Å; E423-E427 WeakPolarHBondContact O-CG 3.26Å; E423-E427 PolarHBondContact O-N 3.08Å
424L98Very high96.4Very high6 Ų659.3 Ų59.33%0.03128%0.282CS..Hα-helixtrans-58.6-41.2176178.664.6000112.7A326 K328 V344 K420 C421 T426 E427 L428A326-L424 HydrophobicContact CB-CD1 3.98Å; A326-L424 HydrophobicContact CB-CD2 4.39Å; A326-L424 HydrophobicContact CB-CG 4.42Å; K328-L424 HydrophobicContact CB-CB 4.22Å; K328-L424 HydrophobicContact CB-CD1 4.17Å; K328-L424 HydrophobicContact CB-CD2 4.02Å; K328-L424 HydrophobicContact CB-CG 4.36Å; K328-L424 HydrophobicContact CD-CD1 4.47Å; K328-L424 HydrophobicContact CG-CB 4.46Å; V344-L424 HydrophobicContact CG2-CD2 3.67Å; K420-L424 WeakPolarHBondContact O-CB 3.49Å; K420-L424 PolarHBondContact O-N 2.86Å; C421-L424 WeakPolarHBondContact O-CB 3.34Å; C421-L424 PolarHBondContact O-N 3.49Å; L424-T426 VanDerWaalsContact C-N 3.32Å; L424-E427 PolarHBondContact O-N 3.26Å; L424-L428 HydrophobicContact CG-CD1 4.35Å; L424-L428 WeakPolarHBondContact O-CB 3.41Å; L424-L428 WeakPolarHBondContact O-CG 3.24Å; L424-L428 PolarHBondContact O-N 3.35Å
425F98.3Very high96.6Very high0 Ų055 Ų550%027%0.265CS..Hα-helixtrans-69.8-31.4177.4-58.2-24.2000112.8V344 L383 F385 I386 C421 L422 E423 L428 A429 F438 I446 L463V344-F425 HydrophobicContact CG2-CE1 3.88Å; L383-F425 HydrophobicContact CD2-CE2 3.51Å; L383-F425 HydrophobicContact CD2-CZ 3.76Å; F385-F425 HydrophobicContact CE2-CE1 4.33Å; F385-F425 HydrophobicContact CE2-CZ 4.15Å; F385-F425 HydrophobicContact CZ-CE1 4.16Å; F385-F425 HydrophobicContact CZ-CE2 4.41Å; F385-F425 AromaticContact CZ-CZ 3.59Å; F385-F425 HydrophobicContact CZ-CZ 3.59Å; I386-F425 HydrophobicContact CD1-CE1 4Å; I386-F425 HydrophobicContact CD1-CZ 3.96Å; C421-F425 HydrophobicContact CB-CE2 4.34Å; C421-F425 HydrophobicContact CB-CZ 4.27Å; C421-F425 WeakPolarHBondContact O-CD1 3.43Å; C421-F425 WeakPolarHBondContact O-CD2 3.43Å; C421-F425 WeakPolarHBondContact O-CG 3.47Å; C421-F425 PolarHBondContact O-N 3.12Å; L422-F425 HydrophobicContact CD2-CD2 4.16Å; L422-F425 PolarHBondContact O-N 2.84Å; E423-F425 VanDerWaalsContact C-N 3.34Å; E423-F425 PolarHBondContact O-N 3.46Å; F425-L428 HydrophobicContact CD1-CD1 4.32Å; F425-A429 WeakPolarHBondContact O-CB 3.42Å; F425-A429 PolarHBondContact O-N 3Å; F425-F438 HydrophobicContact CD1-CE1 4.19Å; F425-F438 HydrophobicContact CD1-CE2 4.07Å; F425-F438 AromaticContact CD1-CZ 3.59Å; F425-F438 HydrophobicContact CD1-CZ 3.59Å; F425-F438 HydrophobicContact CD2-CZ 4.35Å; F425-F438 AromaticContact CE1-CE2 3.86Å; F425-F438 HydrophobicContact CE1-CE2 3.86Å; F425-F438 AromaticContact CE1-CZ 3.66Å; F425-F438 HydrophobicContact CE1-CZ 3.66Å; F425-F438 HydrophobicContact CE2-CZ 4.4Å; F425-F438 HydrophobicContact CG-CE1 4.32Å; F425-F438 AromaticContact CG-CZ 3.98Å; F425-F438 HydrophobicContact CG-CZ 3.98Å; F425-F438 HydrophobicContact CZ-CE2 4.47Å; F425-F438 HydrophobicContact CZ-CZ 4.09Å; F425-I446 HydrophobicContact CD2-CD1 4.05Å; F425-I446 HydrophobicContact CE2-CD1 4.05Å; F425-L463 HydrophobicContact CB-CD1 3.65Å; F425-L463 HydrophobicContact CB-CD2 4.02Å; F425-L463 HydrophobicContact CD2-CD1 3.9Å; F425-L463 HydrophobicContact CG-CD1 4.25Å
426T97.3Very high96.7Very high66 Ų6655.3 Ų55.341%0.40527%0.267SS..Hα-helixtrans-68.2-44.7174.4-53.40000110.1L422 E423 L424 A429 E430L422-T426 WeakPolarHBondContact O-CB 3.44Å; L422-T426 PolarHBondContact O-N 2.84Å; L422-T426 PolarHBondContact O-OG1 2.86Å; E423-T426 WeakPolarHBondContact O-CB 3.37Å; E423-T426 PolarHBondContact O-N 3.33Å; E423-T426 VanDerWaalsContact O-N 3.11Å; L424-T426 VanDerWaalsContact C-N 3.32Å; T426-A429 WeakPolarHBondContact O-CB 3.45Å; T426-A429 PolarHBondContact O-N 3.35Å; T426-A429 VanDerWaalsContact O-N 3.11Å; T426-E430 PolarHBondContact O-N 2.96Å
427E96.8Very high96.8Very high84 Ų8457 Ų5739%0.39327%0.272SS..Hα-helixtrans-61.1-44.2173.6-70.7163.3-167.300111.2K328 E423 L424 A429 E430K328-E427 IonicContact NZ-OE1 3.86Å; K328-E427 PolarHBondContact NZ-OE1 3.33Å; K328-E427 IonicContact NZ-OE2 3.44Å; K328-E427 PolarHBondContact NZ-OE2 2.82Å; E423-E427 WeakPolarHBondContact O-CG 3.26Å; E423-E427 PolarHBondContact O-N 3.08Å; L424-E427 PolarHBondContact O-N 3.26Å; E427-A429 PolarHBondContact O-N 3.49Å; E427-E430 WeakPolarHBondContact O-CB 3.11Å; E427-E430 PolarHBondContact O-N 3.49Å; E427-E430 VanDerWaalsContact O-N 3.12Å
428L96.5Very high96.9Very high17 Ų1757 Ų579%0.08927%0.272CS..Hα-helixtrans-59.7-33.8173.8-84.1167.7000112.5A326 V344 L424 F425 E430 D431 Y435A326-L428 HydrophobicContact CB-CD1 3.65Å; A326-L428 HydrophobicContact CB-CD2 3.69Å; A326-L428 HydrophobicContact CB-CG 3.88Å; V344-L428 HydrophobicContact CG2-CD1 4.36Å; L424-L428 HydrophobicContact CG-CD1 4.35Å; L424-L428 WeakPolarHBondContact O-CB 3.41Å; L424-L428 WeakPolarHBondContact O-CG 3.24Å; L424-L428 PolarHBondContact O-N 3.35Å; F425-L428 HydrophobicContact CD1-CD1 4.32Å; L428-E430 PolarHBondContact O-N 3.24Å; L428-D431 CarbonylContact O-C 3.55Å; L428-D431 PolarHBondContact O-N 3.03Å; L428-D431 VanDerWaalsContact O-N 3.16Å; L428-D431 VanDerWaalsContact O-O 3.08Å; L428-Y435 HydrophobicContact CB-CD2 4.19Å; L428-Y435 WeakPolarHBondContact O-CB 3.05Å
429A96.4Very high96.9Very high29 Ų2957.1 Ų57.124%0.2427%0.272CS..Hα-helixtrans-68.7-17.5179.500000113.6F425 T426 E427 Y435 L463F425-A429 WeakPolarHBondContact O-CB 3.42Å; F425-A429 PolarHBondContact O-N 3Å; T426-A429 WeakPolarHBondContact O-CB 3.45Å; T426-A429 PolarHBondContact O-N 3.35Å; T426-A429 VanDerWaalsContact O-N 3.11Å; E427-A429 PolarHBondContact O-N 3.49Å; A429-Y435 HydrophobicContact CB-CD2 3.74Å; A429-Y435 HydrophobicContact CB-CE2 3.69Å; A429-Y435 HydrophobicContact CB-CG 4.25Å; A429-L463 HydrophobicContact CB-CD2 4.45Å
430E95.7Very high96.9Very high165 Ų16558.8 Ų58.877%0.77128%0.281SS*.Hα-helixtrans-73-30.4172.5-58-177.7168.400111.5T426 E427 L428 K432T426-E430 PolarHBondContact O-N 2.96Å; E427-E430 WeakPolarHBondContact O-CB 3.11Å; E427-E430 PolarHBondContact O-N 3.49Å; E427-E430 VanDerWaalsContact O-N 3.12Å; L428-E430 PolarHBondContact O-N 3.24Å; E430-K432 PolarHBondContact O-N 2.94Å
431D94.6Very high96.9Very high70 Ų7059.5 Ų59.537%0.37429%0.285SS..SBendtrans-91.394171.1-177-21.4000110.7L428 E433 N434 Y435L428-D431 CarbonylContact O-C 3.55Å; L428-D431 PolarHBondContact O-N 3.03Å; L428-D431 VanDerWaalsContact O-N 3.16Å; L428-D431 VanDerWaalsContact O-O 3.08Å; D431-E433 VanDerWaalsContact C-N 3.25Å; D431-E433 PolarHBondContact O-N 3.22Å; D431-E433 VanDerWaalsContact O-N 3.16Å; D431-E433 PolarHBondContact OD1-N 3.27Å; D431-E433 VanDerWaalsContact OD1-N 3.11Å; D431-N434 HydrophobicContact CB-CB 4.35Å; D431-N434 PolarHBondContact O-N 3.44Å; D431-N434 PolarHBondContact OD1-N 3.34Å; D431-N434 VanDerWaalsContact OD1-N 3.1Å; D431-N434 PolarHBondContact OD2-ND2 3.25Å; D431-Y435 WeakPolarHBondContact O-CB 3.45Å; D431-Y435 PolarHBondContact O-N 3.11Å
432K93.7Very high96.9Very high140 Ų14059.5 Ų59.561%0.60929%0.285SS*.Hα-helixtrans-56.9-34.1-175.5-164.9176.3-178.7-177.50113.9E430 K436 E474E430-K432 PolarHBondContact O-N 2.94Å; K432-K436 PolarHBondContact O-N 3Å; K432-K436 VanDerWaalsContact O-N 3.16Å; K432-E474 WeakPolarHBondContact CE-OE1 3.44Å; K432-E474 IonicContact NZ-OE1 2.84Å; K432-E474 PolarHBondContact NZ-OE1 2.62Å
433E95.2Very high96.9Very high128 Ų12859.9 Ų59.960%0.59829%0.289SS*.Hα-helixtrans-75.2-49.4-177.6-167.6-168142.700111D431 Y435 K436 K437D431-E433 VanDerWaalsContact C-N 3.25Å; D431-E433 PolarHBondContact O-N 3.22Å; D431-E433 VanDerWaalsContact O-N 3.16Å; D431-E433 PolarHBondContact OD1-N 3.27Å; D431-E433 VanDerWaalsContact OD1-N 3.11Å; E433-Y435 VanDerWaalsContact C-N 3.31Å; E433-Y435 PolarHBondContact O-N 3.3Å; E433-K436 PolarHBondContact O-N 3.14Å; E433-K437 PolarHBondContact O-N 3.46Å; E433-K437 IonicContact OE1-NZ 2.83Å; E433-K437 PolarHBondContact OE1-NZ 3.09Å
434N95.8Very high96.8Very high40 Ų4062.4 Ų62.421%0.21430%0.299CS..Hα-helixtrans-69.7-31.8178-75.7-40.3000111.8L325 D431 K436 K437 F438L325-N434 HydrophobicContact CD1-CB 4.28Å; D431-N434 HydrophobicContact CB-CB 4.35Å; D431-N434 PolarHBondContact O-N 3.44Å; D431-N434 PolarHBondContact OD1-N 3.34Å; D431-N434 VanDerWaalsContact OD1-N 3.1Å; D431-N434 PolarHBondContact OD2-ND2 3.25Å; N434-K436 VanDerWaalsContact C-N 3.34Å; N434-K436 PolarHBondContact O-N 3.13Å; N434-K437 PolarHBondContact O-N 2.74Å; N434-F438 WeakPolarHBondContact O-CB 3.38Å; N434-F438 PolarHBondContact O-N 2.89Å
435Y97.9Very high96.8Very high6 Ų662.2 Ų62.22%0.02430%0.298CS..Hα-helixtrans-63.1-39.9172.7-164.3-104.4000112.7L428 A429 D431 E433 K437 F438 Y439 L463 R465L428-Y435 HydrophobicContact CB-CD2 4.19Å; L428-Y435 WeakPolarHBondContact O-CB 3.05Å; A429-Y435 HydrophobicContact CB-CD2 3.74Å; A429-Y435 HydrophobicContact CB-CE2 3.69Å; A429-Y435 HydrophobicContact CB-CG 4.25Å; D431-Y435 WeakPolarHBondContact O-CB 3.45Å; D431-Y435 PolarHBondContact O-N 3.11Å; E433-Y435 VanDerWaalsContact C-N 3.31Å; E433-Y435 PolarHBondContact O-N 3.3Å; Y435-K437 VanDerWaalsContact C-N 3.32Å; Y435-K437 PolarHBondContact O-N 3.47Å; Y435-F438 AromaticContact CD2-CD1 4Å; Y435-F438 HydrophobicContact CD2-CD1 4Å; Y435-F438 AromaticContact CE2-CD1 3.72Å; Y435-F438 HydrophobicContact CE2-CD1 3.72Å; Y435-F438 HydrophobicContact CE2-CE1 4.09Å; Y435-F438 WeakPolarHBondContact O-CB 3.45Å; Y435-F438 PolarHBondContact O-N 2.8Å; Y435-Y439 HydrophobicContact CE1-CD2 4.23Å; Y435-Y439 VanDerWaalsContact O-CB 3.29Å; Y435-Y439 WeakPolarHBondContact O-CB 3Å; Y435-Y439 PolarHBondContact O-N 3.23Å; Y435-L463 HydrophobicContact CE2-CD2 4.33Å; Y435-L463 VanDerWaalsContact OH-C 3.24Å; Y435-L463 WeakPolarHBondContact OH-CA 3.36Å; Y435-L463 WeakPolarHBondContact OH-CB 3.46Å; Y435-L463 PolarHBondContact OH-O 2.76Å; Y435-R465 HydrophobicContact CD1-CG 4.31Å; Y435-R465 HydrophobicContact CE1-CG 3.67Å; Y435-R465 VanDerWaalsContact CE1-CZ 3.46Å
436K96.8Very high96.8Very high152 Ų15262.2 Ų62.266%0.66130%0.298SS*.Hα-helixtrans-59.8-45.2175.8-176.1-179.2176.9-178.10110.8K432 E433 N434 Y439 E440K432-K436 PolarHBondContact O-N 3Å; K432-K436 VanDerWaalsContact O-N 3.16Å; E433-K436 PolarHBondContact O-N 3.14Å; N434-K436 VanDerWaalsContact C-N 3.34Å; N434-K436 PolarHBondContact O-N 3.13Å; K436-Y439 PolarHBondContact O-N 3.32Å; K436-E440 WeakPolarHBondContact O-CB 3.29Å; K436-E440 PolarHBondContact O-N 3.12Å
437K96.9Very high96.9Very high81 Ų8159.3 Ų59.335%0.35228%0.28SS..Hα-helixtrans-62.6-45.3176.2-64171.7-170.3160.50111.4E433 N434 Y435 Q441E433-K437 PolarHBondContact O-N 3.46Å; E433-K437 IonicContact OE1-NZ 2.83Å; E433-K437 PolarHBondContact OE1-NZ 3.09Å; N434-K437 PolarHBondContact O-N 2.74Å; Y435-K437 VanDerWaalsContact C-N 3.32Å; Y435-K437 PolarHBondContact O-N 3.47Å; K437-Q441 WeakPolarHBondContact O-CG 3.31Å; K437-Q441 PolarHBondContact O-N 3.43Å
438F98.1Very high96.9Very high0 Ų056.9 Ų56.90%027%0.269CS..Hα-helixtrans-57.1-51.2174.7170.4-112.4000111.9L325 V344 F385 F425 N434 Y435 E440 Q441 F442 I446L325-F438 HydrophobicContact CD2-CB 3.62Å; L325-F438 HydrophobicContact CD2-CD2 4.33Å; L325-F438 HydrophobicContact CD2-CG 4.45Å; V344-F438 HydrophobicContact CG1-CD2 3.66Å; V344-F438 HydrophobicContact CG1-CE2 3.87Å; F385-F438 AromaticContact CE2-CE2 3.94Å; F385-F438 HydrophobicContact CE2-CE2 3.94Å; F385-F438 HydrophobicContact CZ-CE2 4.06Å; F385-F438 HydrophobicContact CZ-CZ 4.34Å; F425-F438 HydrophobicContact CD1-CE1 4.19Å; F425-F438 HydrophobicContact CD1-CE2 4.07Å; F425-F438 AromaticContact CD1-CZ 3.59Å; F425-F438 HydrophobicContact CD1-CZ 3.59Å; F425-F438 HydrophobicContact CD2-CZ 4.35Å; F425-F438 AromaticContact CE1-CE2 3.86Å; F425-F438 HydrophobicContact CE1-CE2 3.86Å; F425-F438 AromaticContact CE1-CZ 3.66Å; F425-F438 HydrophobicContact CE1-CZ 3.66Å; F425-F438 HydrophobicContact CE2-CZ 4.4Å; F425-F438 HydrophobicContact CG-CE1 4.32Å; F425-F438 AromaticContact CG-CZ 3.98Å; F425-F438 HydrophobicContact CG-CZ 3.98Å; F425-F438 HydrophobicContact CZ-CE2 4.47Å; F425-F438 HydrophobicContact CZ-CZ 4.09Å; N434-F438 WeakPolarHBondContact O-CB 3.38Å; N434-F438 PolarHBondContact O-N 2.89Å; Y435-F438 AromaticContact CD2-CD1 4Å; Y435-F438 HydrophobicContact CD2-CD1 4Å; Y435-F438 AromaticContact CE2-CD1 3.72Å; Y435-F438 HydrophobicContact CE2-CD1 3.72Å; Y435-F438 HydrophobicContact CE2-CE1 4.09Å; Y435-F438 WeakPolarHBondContact O-CB 3.45Å; Y435-F438 PolarHBondContact O-N 2.8Å; F438-E440 PolarHBondContact O-N 2.95Å; F438-Q441 PolarHBondContact O-N 2.9Å; F438-F442 HydrophobicContact CD2-CB 4.39Å; F438-F442 AromaticContact CD2-CD2 3.61Å; F438-F442 HydrophobicContact CD2-CD2 3.61Å; F438-F442 HydrophobicContact CD2-CE2 4.41Å; F438-F442 HydrophobicContact CD2-CG 4.42Å; F438-F442 HydrophobicContact CE2-CB 3.98Å; F438-F442 AromaticContact CE2-CD2 3.76Å; F438-F442 HydrophobicContact CE2-CD2 3.76Å; F438-F442 HydrophobicContact CE2-CG 4.19Å; F438-F442 HydrophobicContact CZ-CB 4.37Å; F438-F442 WeakPolarHBondContact O-CD2 3.27Å; F438-F442 PolarHBondContact O-N 2.74Å; F438-I446 HydrophobicContact CE1-CD1 4.34Å; F438-I446 HydrophobicContact CE1-CG1 4.38Å; F438-I446 HydrophobicContact CZ-CD1 4.13Å; F438-I446 HydrophobicContact CZ-CG1 4.44Å
439Y98Very high97Very high10 Ų1056 Ų564%0.03927%0.265CS..Hα-helixtrans-66.9-37.8-175.2-166.6-97.5000111.6Y435 K436 Q441 F442 S443 K447 L463 R465 M475Y435-Y439 HydrophobicContact CE1-CD2 4.23Å; Y435-Y439 VanDerWaalsContact O-CB 3.29Å; Y435-Y439 WeakPolarHBondContact O-CB 3Å; Y435-Y439 PolarHBondContact O-N 3.23Å; K436-Y439 PolarHBondContact O-N 3.32Å; Y439-Q441 VanDerWaalsContact C-N 3.25Å; Y439-Q441 PolarHBondContact O-N 3.33Å; Y439-F442 PolarHBondContact O-N 2.85Å; Y439-S443 WeakPolarHBondContact O-CA 3.47Å; Y439-S443 WeakPolarHBondContact O-CB 3.2Å; Y439-S443 PolarHBondContact O-N 2.98Å; Y439-S443 PolarHBondContact O-OG 2.88Å; Y439-K447 WeakPolarHBondContact OH-CE 3.27Å; Y439-L463 WeakPolarHBondContact CE2-O 3.28Å; Y439-R465 HydrophobicContact CD1-CB 3.96Å; Y439-R465 HydrophobicContact CD1-CG 4.45Å; Y439-R465 HydrophobicContact CD2-CB 4.42Å; Y439-R465 HydrophobicContact CD2-CG 4.28Å; Y439-R465 HydrophobicContact CE1-CB 3.66Å; Y439-R465 HydrophobicContact CE1-CG 4.49Å; Y439-R465 VanDerWaalsContact CE1-O 3.31Å; Y439-R465 WeakPolarHBondContact CE1-O 3.46Å; Y439-R465 HydrophobicContact CE2-CB 4.17Å; Y439-R465 HydrophobicContact CE2-CG 4.34Å; Y439-R465 HydrophobicContact CG-CB 4.32Å; Y439-R465 HydrophobicContact CG-CG 4.33Å; Y439-R465 VanDerWaalsContact CZ-N 3.29Å; Y439-R465 VanDerWaalsContact CZ-O 3.3Å; Y439-R465 PolarHBondContact OH-N 2.9Å; Y439-R465 PolarHBondContact OH-O 2.54Å; Y439-M475 HydrophobicContact CD1-SD 4.03Å; Y439-M475 HydrophobicContact CE1-SD 3.83Å
440E96.7Very high97.1Very high137 Ų13754.7 Ų54.764%0.6425%0.253SS*.Hα-helixtrans-58.8-37174.2-175.8175.1-174.900112.5K436 F438K436-E440 WeakPolarHBondContact O-CB 3.29Å; K436-E440 PolarHBondContact O-N 3.12Å; F438-E440 PolarHBondContact O-N 2.95Å
441Q97.5Very high97.1Very high67 Ų6749.7 Ų49.731%0.31323%0.23SC..Hα-helixtrans-85-35.3-178.4-62.3-62.8-52.600113.3R346 A348 K437 F438 Y439R346-Q441 WeakPolarHBondContact O-CG 3.38Å; A348-Q441 HydrophobicContact CB-CB 4.49Å; K437-Q441 WeakPolarHBondContact O-CG 3.31Å; K437-Q441 PolarHBondContact O-N 3.43Å; F438-Q441 PolarHBondContact O-N 2.9Å; Y439-Q441 VanDerWaalsContact C-N 3.25Å; Y439-Q441 PolarHBondContact O-N 3.33Å
442F98.2Very high97.2Very high0 Ų051.1 Ų51.10%023%0.234CC..Hα-helixtrans-126.115.1-167.9-55.3-70.5000114.5V344 P345 A348 L352 F385 F438 Y439 K444 N445 I446V344-F442 HydrophobicContact CG1-CD2 4.44Å; V344-F442 HydrophobicContact CG1-CE2 4.12Å; P345-F442 HydrophobicContact CB-CZ 4.37Å; P345-F442 WeakPolarHBondContact O-CE2 3.32Å; A348-F442 HydrophobicContact CB-CD1 4.41Å; A348-F442 HydrophobicContact CB-CE1 3.86Å; A348-F442 HydrophobicContact CB-CZ 4.36Å; L352-F442 HydrophobicContact CD2-CD1 4.26Å; L352-F442 HydrophobicContact CD2-CE1 4.29Å; F385-F442 HydrophobicContact CB-CD1 3.83Å; F385-F442 HydrophobicContact CB-CE1 3.46Å; F385-F442 VanDerWaalsContact CB-CE1 3.46Å; F385-F442 HydrophobicContact CB-CZ 4.3Å; F385-F442 AromaticContact CD1-CD1 3.9Å; F385-F442 HydrophobicContact CD1-CD1 3.9Å; F385-F442 HydrophobicContact CD1-CE1 4.39Å; F385-F442 HydrophobicContact CD1-CG 4.5Å; F385-F442 AromaticContact CD2-CD1 3.61Å; F385-F442 HydrophobicContact CD2-CD1 3.61Å; F385-F442 HydrophobicContact CD2-CD2 4.24Å; F385-F442 AromaticContact CD2-CE1 3.57Å; F385-F442 HydrophobicContact CD2-CE1 3.57Å; F385-F442 HydrophobicContact CD2-CE2 4.2Å; F385-F442 AromaticContact CD2-CG 3.95Å; F385-F442 HydrophobicContact CD2-CG 3.95Å; F385-F442 AromaticContact CD2-CZ 3.88Å; F385-F442 HydrophobicContact CD2-CZ 3.88Å; F385-F442 HydrophobicContact CE1-CB 4.44Å; F385-F442 HydrophobicContact CE1-CD1 4.34Å; F385-F442 HydrophobicContact CE2-CB 4.44Å; F385-F442 HydrophobicContact CE2-CD1 4.07Å; F385-F442 HydrophobicContact CE2-CD2 4.18Å; F385-F442 HydrophobicContact CE2-CE1 4.39Å; F385-F442 HydrophobicContact CE2-CE2 4.48Å; F385-F442 AromaticContact CE2-CG 3.96Å; F385-F442 HydrophobicContact CE2-CG 3.96Å; F385-F442 AromaticContact CG-CD1 3.5Å; F385-F442 HydrophobicContact CG-CD1 3.5Å; F385-F442 VanDerWaalsContact CG-CD1 3.5Å; F385-F442 AromaticContact CG-CE1 3.56Å; F385-F442 HydrophobicContact CG-CE1 3.56Å; F385-F442 HydrophobicContact CG-CG 4.22Å; F385-F442 HydrophobicContact CG-CZ 4.32Å; F385-F442 HydrophobicContact CZ-CB 4.24Å; F385-F442 HydrophobicContact CZ-CD1 4.41Å; F385-F442 HydrophobicContact CZ-CG 4.23Å; F438-F442 HydrophobicContact CD2-CB 4.39Å; F438-F442 AromaticContact CD2-CD2 3.61Å; F438-F442 HydrophobicContact CD2-CD2 3.61Å; F438-F442 HydrophobicContact CD2-CE2 4.41Å; F438-F442 HydrophobicContact CD2-CG 4.42Å; F438-F442 HydrophobicContact CE2-CB 3.98Å; F438-F442 AromaticContact CE2-CD2 3.76Å; F438-F442 HydrophobicContact CE2-CD2 3.76Å; F438-F442 HydrophobicContact CE2-CG 4.19Å; F438-F442 HydrophobicContact CZ-CB 4.37Å; F438-F442 WeakPolarHBondContact O-CD2 3.27Å; F438-F442 PolarHBondContact O-N 2.74Å; Y439-F442 PolarHBondContact O-N 2.85Å; F442-K444 PolarHBondContact O-N 3Å; F442-N445 HydrophobicContact CB-CB 4.38Å; F442-N445 WeakPolarHBondContact O-CB 3.41Å; F442-N445 PolarHBondContact O-N 2.98Å; F442-N445 VanDerWaalsContact O-N 3.08Å; F442-I446 PolarHBondContact O-N 3.3Å; F442-I446 VanDerWaalsContact O-N 3.11Å
443S97.9Very high97.3Very high11 Ų1145.5 Ų45.58%0.07721%0.211CC..Hα-helixtrans-53.8-42.2175.658.80000112.2Y439 N445 I446 K447Y439-S443 WeakPolarHBondContact O-CA 3.47Å; Y439-S443 WeakPolarHBondContact O-CB 3.2Å; Y439-S443 PolarHBondContact O-N 2.98Å; Y439-S443 PolarHBondContact O-OG 2.88Å; S443-N445 VanDerWaalsContact C-N 3.3Å; S443-N445 PolarHBondContact O-N 3.37Å; S443-I446 PolarHBondContact O-N 2.96Å; S443-K447 WeakPolarHBondContact O-CB 3.47Å; S443-K447 VanDerWaalsContact O-CG 3.26Å; S443-K447 WeakPolarHBondContact O-CG 3.2Å; S443-K447 PolarHBondContact O-N 2.77Å
444K97.8Very high97.4Very high101 Ų10143.2 Ų43.244%0.43921%0.209SC..Hα-helixtrans-60.1-40.3178.5-67.8176.5-177.4168.20111.7F353 F442 K447 L448 E524 I526F353-K444 HydrophobicContact CE2-CB 4.3Å; F353-K444 HydrophobicContact CE2-CD 4.15Å; F353-K444 HydrophobicContact CZ-CB 3.8Å; F353-K444 HydrophobicContact CZ-CD 4.47Å; F442-K444 PolarHBondContact O-N 3Å; K444-K447 PolarHBondContact O-N 3.08Å; K444-L448 VanDerWaalsContact O-CB 3.32Å; K444-L448 WeakPolarHBondContact O-CB 3.36Å; K444-L448 PolarHBondContact O-N 3.17Å; K444-E524 WeakPolarHBondContact CE-OE1 3.4Å; K444-I526 HydrophobicContact CG-CG2 4.48Å; K444-I526 WeakPolarHBondContact O-CD1 3.42Å
445N97.9Very high97.4Very high3 Ų348.9 Ų48.92%0.01623%0.234CC..Hα-helixtrans-65.2-45.2175.5-74.687.5000111.8L352 F353 Y382 F385 F442 S443 K447 L448 G449L352-N445 WeakPolarHBondContact CD2-OD1 3.44Å; F353-N445 WeakPolarHBondContact CZ-OD1 3.47Å; Y382-N445 WeakPolarHBondContact CB-O 3.47Å; Y382-N445 VanDerWaalsContact O-CB 3.25Å; Y382-N445 WeakPolarHBondContact O-CB 3.47Å; Y382-N445 PolarHBondContact O-ND2 2.9Å; Y382-N445 VanDerWaalsContact O-ND2 3.11Å; F385-N445 HydrophobicContact CD1-CB 3.96Å; F385-N445 HydrophobicContact CE1-CB 3.69Å; F442-N445 HydrophobicContact CB-CB 4.38Å; F442-N445 WeakPolarHBondContact O-CB 3.41Å; F442-N445 PolarHBondContact O-N 2.98Å; F442-N445 VanDerWaalsContact O-N 3.08Å; S443-N445 VanDerWaalsContact C-N 3.3Å; S443-N445 PolarHBondContact O-N 3.37Å; N445-K447 VanDerWaalsContact C-N 3.33Å; N445-K447 PolarHBondContact O-N 2.93Å; N445-L448 PolarHBondContact O-N 3.29Å; N445-G449 PolarHBondContact O-N 3.31Å
446I98.3Very high97.4Very high0 Ų050.2 Ų50.20%024%0.242CC..Hα-helixtrans-60.5-43.7175.6-60.3-57.4000111.2F425 F438 F442 S443 G449 I450 L460 L463 L464F425-I446 HydrophobicContact CD2-CD1 4.05Å; F425-I446 HydrophobicContact CE2-CD1 4.05Å; F438-I446 HydrophobicContact CE1-CD1 4.34Å; F438-I446 HydrophobicContact CE1-CG1 4.38Å; F438-I446 HydrophobicContact CZ-CD1 4.13Å; F438-I446 HydrophobicContact CZ-CG1 4.44Å; F442-I446 PolarHBondContact O-N 3.3Å; F442-I446 VanDerWaalsContact O-N 3.11Å; S443-I446 PolarHBondContact O-N 2.96Å; I446-G449 PolarHBondContact O-N 2.75Å; I446-I450 PolarHBondContact O-N 2.81Å; I446-I450 VanDerWaalsContact O-N 3.08Å; I446-L460 HydrophobicContact CD1-CD2 4.33Å; I446-L460 HydrophobicContact CG2-CD2 4.45Å; I446-L463 HydrophobicContact CD1-CD1 4.18Å; I446-L463 HydrophobicContact CG2-CB 4.06Å; I446-L464 HydrophobicContact CG2-CD2 4.22Å
447K98.5Very high97.4Very high5 Ų545.4 Ų45.42%0.02222%0.219CC..Hα-helixtrans-66.7-38.4178.4-67.4171.8-174.1-171.40112.4Y439 S443 K444 N445 G449 I450 H451 L464 E524 I526 D527 C530Y439-K447 WeakPolarHBondContact OH-CE 3.27Å; S443-K447 WeakPolarHBondContact O-CB 3.47Å; S443-K447 VanDerWaalsContact O-CG 3.26Å; S443-K447 WeakPolarHBondContact O-CG 3.2Å; S443-K447 PolarHBondContact O-N 2.77Å; K444-K447 PolarHBondContact O-N 3.08Å; N445-K447 VanDerWaalsContact C-N 3.33Å; N445-K447 PolarHBondContact O-N 2.93Å; K447-G449 VanDerWaalsContact C-N 3.32Å; K447-I450 PolarHBondContact O-N 3.42Å; K447-H451 PolarHBondContact O-N 3.21Å; K447-H451 VanDerWaalsContact O-N 3.15Å; K447-L464 HydrophobicContact CG-CD2 3.88Å; K447-E524 IonicContact NZ-OE2 3.54Å; K447-E524 PolarHBondContact NZ-OE2 3.1Å; K447-I526 HydrophobicContact CB-CD1 4.06Å; K447-I526 HydrophobicContact CB-CG1 4.06Å; K447-I526 HydrophobicContact CB-CG2 4.09Å; K447-I526 HydrophobicContact CD-CG2 3.62Å; K447-D527 VanDerWaalsContact CD-OD1 3.27Å; K447-D527 WeakPolarHBondContact CD-OD1 3.29Å; K447-D527 WeakPolarHBondContact CE-OD1 3.17Å; K447-D527 IonicContact NZ-OD1 3.97Å; K447-D527 PolarHBondContact NZ-OD1 3Å; K447-D527 IonicContact NZ-OD2 2.96Å; K447-C530 HydrophobicContact CB-CB 4.44Å
448L97Very high97.3Very high32 Ų3249.2 Ų49.217%0.16824%0.236CC..Hα-helixtrans-61.7-41.9171.3-175.962000111K444 N445 I450 H451 E452 I526K444-L448 VanDerWaalsContact O-CB 3.32Å; K444-L448 WeakPolarHBondContact O-CB 3.36Å; K444-L448 PolarHBondContact O-N 3.17Å; N445-L448 PolarHBondContact O-N 3.29Å; L448-I450 VanDerWaalsContact C-N 3.29Å; L448-I450 PolarHBondContact O-N 3.28Å; L448-H451 WeakPolarHBondContact O-CA 3.31Å; L448-H451 WeakPolarHBondContact O-CB 3.36Å; L448-H451 PolarHBondContact O-N 3.42Å; L448-E452 HydrophobicContact CD1-CG 4.05Å; L448-E452 WeakPolarHBondContact CD1-OE1 3.44Å; L448-E452 HydrophobicContact CG-CG 4.32Å; L448-E452 PolarHBondContact O-N 3.09Å; L448-I526 HydrophobicContact CB-CD1 4.13Å
449G97.7Very high97.3Very high0 Ų053.6 Ų53.60%026%0.255CS..Hα-helixtrans-59.1-38.3174.900000112.8N445 I446 K447 H451 E452 D453 L460N445-G449 PolarHBondContact O-N 3.31Å; I446-G449 PolarHBondContact O-N 2.75Å; K447-G449 VanDerWaalsContact C-N 3.32Å; G449-H451 VanDerWaalsContact C-N 3.3Å; G449-H451 PolarHBondContact O-N 3.06Å; G449-E452 PolarHBondContact O-N 3.4Å; G449-D453 WeakPolarHBondContact O-CA 3.31Å; G449-D453 VanDerWaalsContact O-CB 3.28Å; G449-D453 WeakPolarHBondContact O-CB 3.18Å; G449-D453 PolarHBondContact O-N 2.89Å; G449-L460 VanDerWaalsContact C-CD1 3.44Å; G449-L460 WeakPolarHBondContact O-CD1 3.34Å
450I98.2Very high97.3Very high0 Ų053.1 Ų53.10%025%0.253CS..Hα-helixtrans-66-36.6175-69.8175.7000111.5I446 K447 L448 R457 L460 L464 C530 L534I446-I450 PolarHBondContact O-N 2.81Å; I446-I450 VanDerWaalsContact O-N 3.08Å; K447-I450 PolarHBondContact O-N 3.42Å; L448-I450 VanDerWaalsContact C-N 3.29Å; L448-I450 PolarHBondContact O-N 3.28Å; I450-R457 HydrophobicContact CG2-CG 4.01Å; I450-R457 PolarHBondContact O-NE 2.74Å; I450-R457 PolarHBondContact O-NH2 3.39Å; I450-L460 HydrophobicContact CD1-CB 4.26Å; I450-L460 HydrophobicContact CG1-CB 3.61Å; I450-L460 HydrophobicContact CG1-CD1 4.48Å; I450-L464 HydrophobicContact CD1-CD1 3.38Å; I450-L464 HydrophobicContact CD1-CD2 3.69Å; I450-L464 HydrophobicContact CD1-CG 3.58Å; I450-C530 VanDerWaalsContact CG2-SG 3.58Å; I450-L534 HydrophobicContact CG2-CB 4.35Å
451H97.1Very high97.3Very high61 Ų6146.8 Ų46.828%0.28222%0.224SC..Hα-helixtrans-66.2-49176.7-171.372.9000111.6K447 L448 G449 Y529K447-H451 PolarHBondContact O-N 3.21Å; K447-H451 VanDerWaalsContact O-N 3.15Å; L448-H451 WeakPolarHBondContact O-CA 3.31Å; L448-H451 WeakPolarHBondContact O-CB 3.36Å; L448-H451 PolarHBondContact O-N 3.42Å; G449-H451 VanDerWaalsContact C-N 3.3Å; G449-H451 PolarHBondContact O-N 3.06Å; H451-Y529 AromaticContact CE1-CD1 3.94Å; H451-Y529 PolarHBondContact ND1-O 3.46Å; H451-Y529 VanDerWaalsContact ND1-O 3.17Å
452E95.7Very high97.3Very high99 Ų9947.9 Ų47.946%0.46323%0.229SC..Hα-helixtrans-89.5-41.4-171.1-63.5-177.8165.900114.6L448 G449 S454L448-E452 HydrophobicContact CD1-CG 4.05Å; L448-E452 WeakPolarHBondContact CD1-OE1 3.44Å; L448-E452 HydrophobicContact CG-CG 4.32Å; L448-E452 PolarHBondContact O-N 3.09Å; G449-E452 PolarHBondContact O-N 3.4Å; E452-S454 PolarHBondContact O-N 2.9Å
453D96.6Very high97.3Very high23 Ų2348.1 Ų48.112%0.12323%0.23CC..  trans-98.586.4-169.3-169-20.1000111.8Y382 G449 Q455 N456 R457 L460Y382-D453 HydrophobicContact CD1-CB 4.42Å; Y382-D453 HydrophobicContact CE1-CB 3.68Å; Y382-D453 WeakPolarHBondContact CE1-OD2 3.36Å; Y382-D453 PolarHBondContact OH-OD2 3.19Å; G449-D453 WeakPolarHBondContact O-CA 3.31Å; G449-D453 VanDerWaalsContact O-CB 3.28Å; G449-D453 WeakPolarHBondContact O-CB 3.18Å; G449-D453 PolarHBondContact O-N 2.89Å; D453-Q455 PolarHBondContact O-N 3.17Å; D453-Q455 PolarHBondContact OD1-N 3.24Å; D453-Q455 VanDerWaalsContact OD1-N 3.12Å; D453-N456 PolarHBondContact O-N 3.1Å; D453-N456 PolarHBondContact OD1-N 2.8Å; D453-N456 PolarHBondContact OD1-ND2 3.27Å; D453-N456 PolarHBondContact OD2-ND2 3.3Å; D453-R457 WeakPolarHBondContact O-CB 3.42Å; D453-R457 PolarHBondContact O-N 3.13Å; D453-L460 HydrophobicContact CB-CD1 4.36Å
454S96.6Very high97.3Very high79 Ų7947.6 Ų47.655%0.55223%0.227SC*.THydrogen-bonded Turntrans-61.7-27.6177.661.20000114.4E452E452-S454 PolarHBondContact O-N 2.9Å
455Q96.4Very high97.3Very high159 Ų15944.6 Ų44.674%0.74321%0.213SC*.THydrogen-bonded Turntrans-76.4-41.2-177.2-65.7-174.6-12.700111.4D453D453-Q455 PolarHBondContact O-N 3.17Å; D453-Q455 PolarHBondContact OD1-N 3.24Å; D453-Q455 VanDerWaalsContact OD1-N 3.12Å
456N97.2Very high97.3Very high34 Ų3444.8 Ų44.818%0.18221%0.213CC..THydrogen-bonded Turntrans-96.1-0.6-179-64.4-62.9000113.9V418 L422 D453 K458 K459 L460V418-N456 WeakPolarHBondContact CG1-ND2 3.21Å; L422-N456 HydrophobicContact CD1-CB 3.65Å; L422-N456 WeakPolarHBondContact CD1-OD1 3.26Å; D453-N456 PolarHBondContact O-N 3.1Å; D453-N456 PolarHBondContact OD1-N 2.8Å; D453-N456 PolarHBondContact OD1-ND2 3.27Å; D453-N456 PolarHBondContact OD2-ND2 3.3Å; N456-K458 PolarHBondContact O-N 2.85Å; N456-K458 VanDerWaalsContact O-N 3.09Å; N456-K459 PolarHBondContact O-N 2.89Å; N456-L460 HydrophobicContact CB-CD1 4.27Å; N456-L460 HydrophobicContact CB-CG 4.48Å; N456-L460 PolarHBondContact O-N 2.83Å
457R97.2Very high97.3Very high51 Ų5147.5 Ų47.519%0.19222%0.224CC..Hα-helixtrans-47.1-42.8-178.5-169.3173.4-63.2129.7-4.2114I450 D453 L460 S461I450-R457 HydrophobicContact CG2-CG 4.01Å; I450-R457 PolarHBondContact O-NE 2.74Å; I450-R457 PolarHBondContact O-NH2 3.39Å; D453-R457 WeakPolarHBondContact O-CB 3.42Å; D453-R457 PolarHBondContact O-N 3.13Å; R457-L460 PolarHBondContact O-N 3.46Å; R457-S461 WeakPolarHBondContact O-CB 3.37Å; R457-S461 PolarHBondContact O-N 3.33Å; R457-S461 PolarHBondContact O-OG 3.35Å
458K95.9Very high97.3Very high161 Ų16147.4 Ų47.470%0.722%0.224SC*.Hα-helixtrans-58.8-51.5178-175179.4177.6-179.60111.4N456 L460 S461N456-K458 PolarHBondContact O-N 2.85Å; N456-K458 VanDerWaalsContact O-N 3.09Å; K458-L460 PolarHBondContact O-N 3.44Å; K458-S461 PolarHBondContact O-N 2.82Å; K458-S461 PolarHBondContact O-OG 2.99Å
459K96.4Very high97.3Very high93 Ų9347.6 Ų47.640%0.40423%0.228SC..Hα-helixtrans-63.7-42.8178-68-173.7174.8-171.10111.9L422 N456 S461 E462L422-K459 HydrophobicContact CD1-CB 4.4Å; L422-K459 HydrophobicContact CD1-CD 4.14Å; N456-K459 PolarHBondContact O-N 2.89Å; K459-S461 VanDerWaalsContact C-N 3.28Å; K459-S461 PolarHBondContact O-N 2.75Å; K459-E462 PolarHBondContact O-N 2.95Å
460L98Very high97.1Very high0 Ų051 Ų510%026%0.256CS..Hα-helixtrans-62.7-34.5177.6-70.6168.3000112.3Y382 L422 I446 G449 I450 D453 N456 R457 K458 E462 L463Y382-L460 HydrophobicContact CE2-CD1 4.18Å; Y382-L460 HydrophobicContact CE2-CD2 4.09Å; L422-L460 HydrophobicContact CD2-CD2 3.52Å; L422-L460 HydrophobicContact CD2-CG 4.08Å; I446-L460 HydrophobicContact CD1-CD2 4.33Å; I446-L460 HydrophobicContact CG2-CD2 4.45Å; G449-L460 VanDerWaalsContact C-CD1 3.44Å; G449-L460 WeakPolarHBondContact O-CD1 3.34Å; I450-L460 HydrophobicContact CD1-CB 4.26Å; I450-L460 HydrophobicContact CG1-CB 3.61Å; I450-L460 HydrophobicContact CG1-CD1 4.48Å; D453-L460 HydrophobicContact CB-CD1 4.36Å; N456-L460 HydrophobicContact CB-CD1 4.27Å; N456-L460 HydrophobicContact CB-CG 4.48Å; N456-L460 PolarHBondContact O-N 2.83Å; R457-L460 PolarHBondContact O-N 3.46Å; K458-L460 PolarHBondContact O-N 3.44Å; L460-E462 VanDerWaalsContact C-N 3.27Å; L460-E462 PolarHBondContact O-N 3.01Å; L460-L463 HydrophobicContact CD2-CD1 4.32Å; L460-L463 WeakPolarHBondContact O-CB 3.02Å; L460-L463 PolarHBondContact O-N 3.26Å; L460-L463 VanDerWaalsContact O-N 3.11Å
461S97.8Very high96.9Very high4 Ų452.1 Ų52.13%0.02826%0.264CS..Hα-helixtrans-65.7-28.1178.671.70000113.6R457 K458 K459 L463 L464 F537R457-S461 WeakPolarHBondContact O-CB 3.37Å; R457-S461 PolarHBondContact O-N 3.33Å; R457-S461 PolarHBondContact O-OG 3.35Å; K458-S461 PolarHBondContact O-N 2.82Å; K458-S461 PolarHBondContact O-OG 2.99Å; K459-S461 VanDerWaalsContact C-N 3.28Å; K459-S461 PolarHBondContact O-N 2.75Å; S461-L463 PolarHBondContact O-N 3.47Å; S461-L464 WeakPolarHBondContact O-CB 3.48Å; S461-L464 PolarHBondContact O-N 2.75Å; S461-F537 WeakPolarHBondContact OG-CD2 3.41Å; S461-F537 WeakPolarHBondContact OG-CE2 3.46Å
462E97.3Very high96.6Very high89 Ų8951.3 Ų51.342%0.41627%0.271SS..Hα-helixtrans-70.5-22175.4-63.2172.2-161.700112.1K459 L460 R465 F537K459-E462 PolarHBondContact O-N 2.95Å; L460-E462 VanDerWaalsContact C-N 3.27Å; L460-E462 PolarHBondContact O-N 3.01Å; E462-R465 PolarHBondContact O-NH1 2.93Å; E462-F537 HydrophobicContact CG-CE2 4.16Å; E462-F537 HydrophobicContact CG-CZ 4.38Å
463L97.9Very high96.4Very high5 Ų553.2 Ų53.23%0.02629%0.285CS..THydrogen-bonded Turntrans-82.6-13.3177.5-59.6178.3000112.7F425 A429 Y435 Y439 I446 L460 S461 R465F425-L463 HydrophobicContact CB-CD1 3.65Å; F425-L463 HydrophobicContact CB-CD2 4.02Å; F425-L463 HydrophobicContact CD2-CD1 3.9Å; F425-L463 HydrophobicContact CG-CD1 4.25Å; A429-L463 HydrophobicContact CB-CD2 4.45Å; Y435-L463 HydrophobicContact CE2-CD2 4.33Å; Y435-L463 VanDerWaalsContact OH-C 3.24Å; Y435-L463 WeakPolarHBondContact OH-CA 3.36Å; Y435-L463 WeakPolarHBondContact OH-CB 3.46Å; Y435-L463 PolarHBondContact OH-O 2.76Å; Y439-L463 WeakPolarHBondContact CE2-O 3.28Å; I446-L463 HydrophobicContact CD1-CD1 4.18Å; I446-L463 HydrophobicContact CG2-CB 4.06Å; L460-L463 HydrophobicContact CD2-CD1 4.32Å; L460-L463 WeakPolarHBondContact O-CB 3.02Å; L460-L463 PolarHBondContact O-N 3.26Å; L460-L463 VanDerWaalsContact O-N 3.11Å; S461-L463 PolarHBondContact O-N 3.47Å; L463-R465 PolarHBondContact O-NH1 3.21Å
464L98.3Very high96.3Very high0 Ų056.6 Ų56.60%030%0.3CS..  trans-65.7142.9-179.6-69175.5000112.4I446 K447 I450 S461 Y466 S477 L478 L534I446-L464 HydrophobicContact CG2-CD2 4.22Å; K447-L464 HydrophobicContact CG-CD2 3.88Å; I450-L464 HydrophobicContact CD1-CD1 3.38Å; I450-L464 HydrophobicContact CD1-CD2 3.69Å; I450-L464 HydrophobicContact CD1-CG 3.58Å; S461-L464 WeakPolarHBondContact O-CB 3.48Å; S461-L464 PolarHBondContact O-N 2.75Å; L464-Y466 HydrophobicContact CB-CD2 4.34Å; L464-Y466 HydrophobicContact CB-CE2 3.65Å; L464-Y466 HydrophobicContact CD1-CE2 3.88Å; L464-Y466 HydrophobicContact CD2-CE2 4.4Å; L464-Y466 HydrophobicContact CG-CE2 4.2Å; L464-S477 WeakPolarHBondContact O-CA 3.45Å; L464-L478 HydrophobicContact CB-CD1 4.45Å; L464-L478 HydrophobicContact CB-CG 4.49Å; L464-L478 HydrophobicContact CD1-CD1 4.02Å; L464-L534 HydrophobicContact CD1-CD2 3.81Å
465R98.1Very high96.3Very high39 Ų3956.3 Ų56.315%0.14729%0.291CS..EExtended strand (participates in β ladder)trans-133.7134.2173.5-58.6-68.3-179.6-84.7-0.5109.8Y435 Y439 E462 L463 M475 V476Y435-R465 HydrophobicContact CD1-CG 4.31Å; Y435-R465 HydrophobicContact CE1-CG 3.67Å; Y435-R465 VanDerWaalsContact CE1-CZ 3.46Å; Y439-R465 HydrophobicContact CD1-CB 3.96Å; Y439-R465 HydrophobicContact CD1-CG 4.45Å; Y439-R465 HydrophobicContact CD2-CB 4.42Å; Y439-R465 HydrophobicContact CD2-CG 4.28Å; Y439-R465 HydrophobicContact CE1-CB 3.66Å; Y439-R465 HydrophobicContact CE1-CG 4.49Å; Y439-R465 VanDerWaalsContact CE1-O 3.31Å; Y439-R465 WeakPolarHBondContact CE1-O 3.46Å; Y439-R465 HydrophobicContact CE2-CB 4.17Å; Y439-R465 HydrophobicContact CE2-CG 4.34Å; Y439-R465 HydrophobicContact CG-CB 4.32Å; Y439-R465 HydrophobicContact CG-CG 4.33Å; Y439-R465 VanDerWaalsContact CZ-N 3.29Å; Y439-R465 VanDerWaalsContact CZ-O 3.3Å; Y439-R465 PolarHBondContact OH-N 2.9Å; Y439-R465 PolarHBondContact OH-O 2.54Å; E462-R465 PolarHBondContact O-NH1 2.93Å; L463-R465 PolarHBondContact O-NH1 3.21Å; R465-M475 HydrophobicContact CB-CB 3.85Å; R465-M475 HydrophobicContact CB-SD 4.19Å; R465-V476 WeakPolarHBondContact CA-O 3.46Å
466Y98.2Very high96.3Very high7 Ų749.7 Ų49.73%0.02726%0.261CS..EExtended strand (participates in β ladder)trans-140.6154-178.8-64.1-76.1000111.4L464 M475 V476 L478 I520 M522 D527L464-Y466 HydrophobicContact CB-CD2 4.34Å; L464-Y466 HydrophobicContact CB-CE2 3.65Å; L464-Y466 HydrophobicContact CD1-CE2 3.88Å; L464-Y466 HydrophobicContact CD2-CE2 4.4Å; L464-Y466 HydrophobicContact CG-CE2 4.2Å; Y466-M475 CarbonylContact O-C 3.53Å; Y466-M475 VanDerWaalsContact O-CA 3.25Å; Y466-M475 WeakPolarHBondContact O-CA 3.31Å; Y466-V476 PolarHBondContact N-O 3.1Å; Y466-V476 PolarHBondContact O-N 2.72Å; Y466-L478 HydrophobicContact CD2-CD2 4.16Å; Y466-L478 HydrophobicContact CE2-CD2 4.29Å; Y466-I520 VanDerWaalsContact CB-CG2 3.46Å; Y466-I520 HydrophobicContact CD1-CG2 4.25Å; Y466-I520 HydrophobicContact CD2-CG2 3.9Å; Y466-I520 HydrophobicContact CG-CG2 3.63Å; Y466-M522 HydrophobicContact CD1-CG 3.97Å; Y466-M522 HydrophobicContact CE1-CE 4.31Å; Y466-M522 HydrophobicContact CE1-CG 3.82Å; Y466-M522 HydrophobicContact CE2-CE 4.23Å; Y466-D527 WeakPolarHBondContact CE1-OD1 3.15Å
467Y97.8Very high96.3Very high56 Ų5648.5 Ų48.522%0.2226%0.256CS..EExtended strand (participates in β ladder)trans-70.9151.5162.8-60.4-69.2000109.7D473 M475 K500 Y521 I523Y467-D473 WeakPolarHBondContact CE1-O 3.29Å; Y467-M475 HydrophobicContact CD1-CG 3.88Å; Y467-M475 HydrophobicContact CD2-CE 4.04Å; Y467-M475 HydrophobicContact CD2-CG 4.29Å; Y467-M475 HydrophobicContact CE1-CE 4.4Å; Y467-M475 HydrophobicContact CE1-CG 3.63Å; Y467-M475 HydrophobicContact CE2-CE 3.33Å; Y467-M475 HydrophobicContact CE2-CG 4.09Å; Y467-M475 HydrophobicContact CG-CG 4.19Å; Y467-K500 HydrophobicContact CD2-CD 4.29Å; Y467-K500 HydrophobicContact CG-CD 4.24Å; Y467-Y521 PolarHBondContact O-N 3.18Å; Y467-I523 HydrophobicContact CD2-CD1 4.22Å; Y467-I523 HydrophobicContact CE2-CD1 4.19Å
468T97.7Very high96.3Very high4 Ų446.2 Ų46.23%0.02525%0.247CC..EExtended strand (participates in β ladder)trans-134.3167.7175.869.30000110.4A470 S471 V476 E518 V519 I520 Y521T468-A470 PolarHBondContact O-N 2.91Å; T468-A470 VanDerWaalsContact O-N 3.13Å; T468-A470 PolarHBondContact OG1-N 2.76Å; T468-S471 PolarHBondContact N-OG 3.08Å; T468-S471 PolarHBondContact O-N 2.95Å; T468-S471 WeakPolarHBondContact OG1-CB 3.21Å; T468-S471 PolarHBondContact OG1-N 2.84Å; T468-S471 PolarHBondContact OG1-OG 3.13Å; T468-V476 HydrophobicContact CG2-CG2 3.48Å; T468-V476 VanDerWaalsContact CG2-CG2 3.48Å; T468-E518 VanDerWaalsContact CB-OE1 3.25Å; T468-E518 WeakPolarHBondContact CB-OE1 3.37Å; T468-E518 HydrophobicContact CG2-CG 4.39Å; T468-E518 VanDerWaalsContact CG2-OE1 3.31Å; T468-E518 WeakPolarHBondContact CG2-OE1 3.32Å; T468-E518 PolarHBondContact OG1-OE1 3.04Å; T468-V519 CarbonylContact C-O 3.53Å; T468-V519 WeakPolarHBondContact CA-O 3.47Å; T468-I520 HydrophobicContact CG2-CG1 4.27Å; T468-Y521 VanDerWaalsContact C-CE2 3.4Å; T468-Y521 WeakPolarHBondContact O-CE2 3.27Å
469S96.5Very high96.3Very high36 Ų3644.4 Ų44.425%0.25224%0.239SC..THydrogen-bonded Turntrans-61.2-16.617363.40000114.2E518 V519 Y521S469-E518 WeakPolarHBondContact OG-CA 3.32Å; S469-V519 PolarHBondContact N-O 3.01Å; S469-V519 PolarHBondContact OG-N 3.46Å; S469-Y521 WeakPolarHBondContact CA-OH 3.34Å; S469-Y521 WeakPolarHBondContact CB-OH 3.48Å
470A94.7Very high96.3Very high71 Ų7143.1 Ų43.159%0.58724%0.237SC*.THydrogen-bonded Turntrans-108.6-17.7-177.800000113.8T468 E518T468-A470 PolarHBondContact O-N 2.91Å; T468-A470 VanDerWaalsContact O-N 3.13Å; T468-A470 PolarHBondContact OG1-N 2.76Å; A470-E518 HydrophobicContact CB-CG 3.92Å
471S93Very high96.2Very high24 Ų2443.2 Ų43.217%0.16824%0.237CC..THydrogen-bonded Turntrans-92.1-4-17168.90000115.3T468 D473 E474T468-S471 PolarHBondContact N-OG 3.08Å; T468-S471 PolarHBondContact O-N 2.95Å; T468-S471 WeakPolarHBondContact OG1-CB 3.21Å; T468-S471 PolarHBondContact OG1-N 2.84Å; T468-S471 PolarHBondContact OG1-OG 3.13Å; S471-D473 PolarHBondContact O-N 3.01Å; S471-E474 WeakPolarHBondContact CB-O 3.48Å; S471-E474 PolarHBondContact O-N 3.06Å; S471-E474 VanDerWaalsContact O-N 3.14Å; S471-E474 PolarHBondContact OG-O 3.09Å
472G91Very high96.1Very high43 Ų4344.1 Ų44.144%0.44324%0.243SC..THydrogen-bonded Turntrans59.9-124.7-177.300000111.4E474 K500G472-E474 VanDerWaalsContact C-N 3.35Å; G472-K500 PolarHBondContact O-NZ 2.83Å
473D92.2Very high96.1Very high139 Ų13945 Ų4574%0.74326%0.255SS*.THydrogen-bonded Turntrans-93.311.4-179.9-62.7-37.7000114.1Y467 S471 K500Y467-D473 WeakPolarHBondContact CE1-O 3.29Å; S471-D473 PolarHBondContact O-N 3.01Å; D473-K500 IonicContact OD1-NZ 3.33Å; D473-K500 PolarHBondContact OD1-NZ 3.31Å
474E94Very high95.9Very high95 Ų9549.9 Ų49.944%0.44427%0.273SS..SBendtrans-102.1136.1173.7-167.9171-165.800110.8K432 S471 G472K432-E474 WeakPolarHBondContact CE-OE1 3.44Å; K432-E474 IonicContact NZ-OE1 2.84Å; K432-E474 PolarHBondContact NZ-OE1 2.62Å; S471-E474 WeakPolarHBondContact CB-O 3.48Å; S471-E474 PolarHBondContact O-N 3.06Å; S471-E474 VanDerWaalsContact O-N 3.14Å; S471-E474 PolarHBondContact OG-O 3.09Å; G472-E474 VanDerWaalsContact C-N 3.35Å
475M95.9Very high95.7Very high73 Ų7351.4 Ų51.436%0.3628%0.28SS..  trans-84.7137.5170-62.8-173.7177.900110.3Y439 R465 Y466 Y467Y439-M475 HydrophobicContact CD1-SD 4.03Å; Y439-M475 HydrophobicContact CE1-SD 3.83Å; R465-M475 HydrophobicContact CB-CB 3.85Å; R465-M475 HydrophobicContact CB-SD 4.19Å; Y466-M475 CarbonylContact O-C 3.53Å; Y466-M475 VanDerWaalsContact O-CA 3.25Å; Y466-M475 WeakPolarHBondContact O-CA 3.31Å; Y467-M475 HydrophobicContact CD1-CG 3.88Å; Y467-M475 HydrophobicContact CD2-CE 4.04Å; Y467-M475 HydrophobicContact CD2-CG 4.29Å; Y467-M475 HydrophobicContact CE1-CE 4.4Å; Y467-M475 HydrophobicContact CE1-CG 3.63Å; Y467-M475 HydrophobicContact CE2-CE 3.33Å; Y467-M475 HydrophobicContact CE2-CG 4.09Å; Y467-M475 HydrophobicContact CG-CG 4.19Å
476V96.6Very high95.5Very high19 Ų1953.7 Ų53.712%0.11529%0.291CS..EExtended strand (participates in β ladder)trans-120.3158.4-179.2-58.20000110.6R465 Y466 T468 D480R465-V476 WeakPolarHBondContact CA-O 3.46Å; Y466-V476 PolarHBondContact N-O 3.1Å; Y466-V476 PolarHBondContact O-N 2.72Å; T468-V476 HydrophobicContact CG2-CG2 3.48Å; T468-V476 VanDerWaalsContact CG2-CG2 3.48Å; V476-D480 HydrophobicContact CB-CB 4.25Å
477S97.4Very high95Very high10 Ų1063.2 Ų63.27%0.0734%0.336CS..EExtended strand (participates in β ladder)trans-78.3161.7176.572.30000112.2L464 K479 D480 Y481L464-S477 WeakPolarHBondContact O-CA 3.45Å; S477-K479 PolarHBondContact O-N 3.41Å; S477-K479 PolarHBondContact OG-N 2.96Å; S477-D480 WeakPolarHBondContact CB-OD2 3.39Å; S477-D480 PolarHBondContact N-OD2 2.68Å; S477-D480 PolarHBondContact O-N 3.1Å; S477-D480 PolarHBondContact OG-N 3.39Å; S477-D480 PolarHBondContact OG-OD2 2.81Å; S477-Y481 PolarHBondContact O-N 2.92Å; S477-Y481 VanDerWaalsContact O-N 3.1Å
478L97.5Very high94.6Very high2 Ų265.3 Ų65.31%0.0135%0.351CS..Hα-helixtrans-61.6-32.5170.4-64.9-179.4000111.8L464 Y466 Y481 C482 I520 L534 F537L464-L478 HydrophobicContact CB-CD1 4.45Å; L464-L478 HydrophobicContact CB-CG 4.49Å; L464-L478 HydrophobicContact CD1-CD1 4.02Å; Y466-L478 HydrophobicContact CD2-CD2 4.16Å; Y466-L478 HydrophobicContact CE2-CD2 4.29Å; L478-Y481 WeakPolarHBondContact O-CB 3.31Å; L478-Y481 PolarHBondContact O-N 3.03Å; L478-C482 PolarHBondContact O-N 2.99Å; L478-C482 PolarHBondContact O-SG 3.02Å; L478-C482 VanDerWaalsContact O-SG 3.32Å; L478-I520 HydrophobicContact CD2-CD1 3.43Å; L478-I520 VanDerWaalsContact CD2-CD1 3.43Å; L478-L534 HydrophobicContact CD1-CD2 3.83Å; L478-F537 HydrophobicContact CB-CD1 3.69Å; L478-F537 HydrophobicContact CB-CD2 4.18Å; L478-F537 HydrophobicContact CB-CE1 3.49Å; L478-F537 VanDerWaalsContact CB-CE1 3.49Å; L478-F537 HydrophobicContact CB-CE2 3.99Å; L478-F537 HydrophobicContact CB-CG 4.04Å; L478-F537 HydrophobicContact CB-CZ 3.66Å; L478-F537 HydrophobicContact CD1-CB 4.42Å; L478-F537 HydrophobicContact CD1-CD1 4.45Å; L478-F537 HydrophobicContact CD1-CD2 3.75Å; L478-F537 HydrophobicContact CD1-CE2 4.11Å; L478-F537 HydrophobicContact CD1-CG 3.95Å
479K96.1Very high94.3Very high123 Ų12365.3 Ų65.354%0.53535%0.351SS..Hα-helixtrans-64.7-45.5174.9-170.3176.4-176.4177.80111.4S477 Y481 C482 T483 F537S477-K479 PolarHBondContact O-N 3.41Å; S477-K479 PolarHBondContact OG-N 2.96Å; K479-Y481 VanDerWaalsContact C-N 3.29Å; K479-Y481 PolarHBondContact O-N 3.2Å; K479-C482 WeakPolarHBondContact O-CB 3.46Å; K479-C482 PolarHBondContact O-N 3.12Å; K479-C482 VanDerWaalsContact O-N 3.11Å; K479-T483 WeakPolarHBondContact O-CG2 3.19Å; K479-T483 PolarHBondContact O-N 3Å; K479-F537 HydrophobicContact CB-CE1 4.47Å; K479-F537 HydrophobicContact CB-CZ 4.44Å
480D95.7Very high94.1Very high67 Ų6769.8 Ų69.836%0.35837%0.366SS..Hα-helixtrans-60.8-41176.5-59.1-43000111.1V476 S477 T483 R484V476-D480 HydrophobicContact CB-CB 4.25Å; S477-D480 WeakPolarHBondContact CB-OD2 3.39Å; S477-D480 PolarHBondContact N-OD2 2.68Å; S477-D480 PolarHBondContact O-N 3.1Å; S477-D480 PolarHBondContact OG-N 3.39Å; S477-D480 PolarHBondContact OG-OD2 2.81Å; D480-T483 PolarHBondContact O-N 3.26Å; D480-T483 PolarHBondContact O-OG1 2.88Å; D480-R484 PolarHBondContact O-N 3.39Å; D480-R484 PolarHBondContact O-NH1 2.67Å; D480-R484 VanDerWaalsContact O-NH1 3.13Å
481Y97.3Very high94.1Very high2 Ų268.1 Ų68.11%0.00835%0.346CS..Hα-helixtrans-57.1-49.6172.1179.3-78.8000111.3S477 L478 K479 T483 R484 M485 Q489 I492 Y493 E518 I520S477-Y481 PolarHBondContact O-N 2.92Å; S477-Y481 VanDerWaalsContact O-N 3.1Å; L478-Y481 WeakPolarHBondContact O-CB 3.31Å; L478-Y481 PolarHBondContact O-N 3.03Å; K479-Y481 VanDerWaalsContact C-N 3.29Å; K479-Y481 PolarHBondContact O-N 3.2Å; Y481-T483 VanDerWaalsContact C-N 3.26Å; Y481-T483 PolarHBondContact O-N 3.19Å; Y481-R484 CarbonylContact O-C 3.57Å; Y481-R484 PolarHBondContact O-N 2.8Å; Y481-M485 HydrophobicContact CD1-CG 3.91Å; Y481-M485 HydrophobicContact CD1-SD 4.23Å; Y481-M485 HydrophobicContact CE1-CG 3.67Å; Y481-M485 HydrophobicContact CE1-SD 4.03Å; Y481-M485 PolarHBondContact O-N 3.38Å; Y481-Q489 PolarHBondContact OH-NE2 2.87Å; Y481-I492 HydrophobicContact CD1-CB 4.47Å; Y481-I492 HydrophobicContact CD1-CG1 4.02Å; Y481-I492 HydrophobicContact CD1-CG2 4.01Å; Y481-I492 HydrophobicContact CE1-CB 3.93Å; Y481-I492 HydrophobicContact CE1-CG1 3.77Å; Y481-I492 HydrophobicContact CE1-CG2 3.69Å; Y481-Y493 PolarHBondContact OH-N 2.97Å; Y481-Y493 VanDerWaalsContact OH-N 3.1Å; Y481-E518 HydrophobicContact CD2-CB 4.16Å; Y481-E518 HydrophobicContact CD2-CG 3.83Å; Y481-E518 HydrophobicContact CE2-CB 3.63Å; Y481-E518 HydrophobicContact CE2-CG 3.7Å; Y481-E518 VanDerWaalsContact CE2-O 3.27Å; Y481-E518 WeakPolarHBondContact CE2-O 3.41Å; Y481-E518 PolarHBondContact OH-O 2.92Å; Y481-I520 HydrophobicContact CD2-CD1 4.01Å; Y481-I520 HydrophobicContact CD2-CG1 3.72Å; Y481-I520 HydrophobicContact CE2-CD1 4.29Å; Y481-I520 HydrophobicContact CE2-CG1 3.81Å; Y481-I520 HydrophobicContact CG-CD1 4.25Å; Y481-I520 HydrophobicContact CG-CG1 4.44Å
482C95.8Very high94.3Very high23 Ų2367 Ų6716%0.15534%0.338CS..Hα-helixtrans-56.5-38.4178.7-730000112.6L478 K479 R484 M485L478-C482 PolarHBondContact O-N 2.99Å; L478-C482 PolarHBondContact O-SG 3.02Å; L478-C482 VanDerWaalsContact O-SG 3.32Å; K479-C482 WeakPolarHBondContact O-CB 3.46Å; K479-C482 PolarHBondContact O-N 3.12Å; K479-C482 VanDerWaalsContact O-N 3.11Å; C482-R484 PolarHBondContact O-N 2.84Å; C482-M485 HydrophobicContact CB-SD 4.38Å; C482-M485 WeakPolarHBondContact O-CB 3.4Å; C482-M485 PolarHBondContact O-N 2.91Å
483T95.5Very high94.6Very high108 Ų10865.1 Ų65.166%0.66332%0.317SS*.Hα-helixtrans-66.8-20.9177.268.30000114.2K479 D480 Y481K479-T483 WeakPolarHBondContact O-CG2 3.19Å; K479-T483 PolarHBondContact O-N 3Å; D480-T483 PolarHBondContact O-N 3.26Å; D480-T483 PolarHBondContact O-OG1 2.88Å; Y481-T483 VanDerWaalsContact C-N 3.26Å; Y481-T483 PolarHBondContact O-N 3.19Å
484R94.8Very high94.9Very high107 Ų10759.3 Ų59.340%0.40429%0.285SS..Hα-helixtrans-101.1-0.7178.9-65.6-172.6-62.7-85.21113.5D480 Y481 C482 E518D480-R484 PolarHBondContact O-N 3.39Å; D480-R484 PolarHBondContact O-NH1 2.67Å; D480-R484 VanDerWaalsContact O-NH1 3.13Å; Y481-R484 CarbonylContact O-C 3.57Å; Y481-R484 PolarHBondContact O-N 2.8Å; C482-R484 PolarHBondContact O-N 2.84Å; R484-E518 IonicContact CZ-OE1 3.27Å; R484-E518 IonicContact CZ-OE2 3.1Å; R484-E518 IonicContact NE-OE1 3.73Å; R484-E518 IonicContact NE-OE2 3.31Å; R484-E518 PolarHBondContact NE-OE2 2.75Å; R484-E518 IonicContact NH2-OE1 3.59Å; R484-E518 PolarHBondContact NH2-OE1 2.84Å; R484-E518 IonicContact NH2-OE2 2.65Å
485M94.8Very high95.1Very high31 Ų3155 Ų5515%0.15327%0.265CS..  trans-61.6140.5176.4-71.8178.871.500110.7Y481 C482 Q489 H491 I492 K540Y481-M485 HydrophobicContact CD1-CG 3.91Å; Y481-M485 HydrophobicContact CD1-SD 4.23Å; Y481-M485 HydrophobicContact CE1-CG 3.67Å; Y481-M485 HydrophobicContact CE1-SD 4.03Å; Y481-M485 PolarHBondContact O-N 3.38Å; C482-M485 HydrophobicContact CB-SD 4.38Å; C482-M485 WeakPolarHBondContact O-CB 3.4Å; C482-M485 PolarHBondContact O-N 2.91Å; M485-Q489 HydrophobicContact CB-CB 4.5Å; M485-Q489 HydrophobicContact CE-CB 4.21Å; M485-Q489 HydrophobicContact CE-CG 3.71Å; M485-Q489 WeakPolarHBondContact CE-O 3.42Å; M485-H491 WeakPolarHBondContact CE-O 3.46Å; M485-I492 HydrophobicContact SD-CG1 4.23Å; M485-K540 HydrophobicContact CE-CB 4.46Å; M485-K540 HydrophobicContact CE-CD 3.95Å; M485-K540 HydrophobicContact CE-CG 4.04Å; M485-K540 HydrophobicContact SD-CD 4.46Å; M485-K540 HydrophobicContact SD-CG 4.04Å
486K92.4Very high95.2Very high87 Ų8752 Ų5238%0.37825%0.251SS..  trans-68.2153.4174.1-58.8-168.7173.9-164.10110.9N488 Q489 H515 G516 L517K486-N488 WeakPolarHBondContact CB-OD1 3.47Å; K486-N488 PolarHBondContact O-N 3.38Å; K486-Q489 HydrophobicContact CB-CB 4.08Å; K486-Q489 VanDerWaalsContact O-CB 3.24Å; K486-Q489 WeakPolarHBondContact O-CB 3.38Å; K486-Q489 PolarHBondContact O-N 3.45Å; K486-H515 WeakPolarHBondContact CE-O 3.43Å; K486-H515 PolarHBondContact NZ-O 2.84Å; K486-G516 WeakPolarHBondContact CE-O 3.3Å; K486-L517 HydrophobicContact CD-CD2 3.91Å; K486-L517 HydrophobicContact CG-CD2 4.29Å
487E89Confident95.1Very high208 Ų20851.3 Ų51.397%0.97225%0.248SC*.THydrogen-bonded Turntrans-57.3-35.6-179.7-65.2-176.8172.200113.2
488N88Confident94.9Very high99 Ų9955.5 Ų55.553%0.52927%0.266SS..THydrogen-bonded Turntrans-87.91.2177.465.5-14.9000114K486 P553K486-N488 WeakPolarHBondContact CB-OD1 3.47Å; K486-N488 PolarHBondContact O-N 3.38Å; N488-P553 HydrophobicContact CB-CB 4.38Å; N488-P553 WeakPolarHBondContact ND2-CB 3.46Å
489Q92.5Very high94.8Very high5 Ų558.8 Ų58.82%0.02329%0.287CS..  trans-86.1117.3-179.7-172.8-178.2-15.400111.1Y481 M485 K486 H491 Y493 L517Y481-Q489 PolarHBondContact OH-NE2 2.87Å; M485-Q489 HydrophobicContact CB-CB 4.5Å; M485-Q489 HydrophobicContact CE-CB 4.21Å; M485-Q489 HydrophobicContact CE-CG 3.71Å; M485-Q489 WeakPolarHBondContact CE-O 3.42Å; K486-Q489 HydrophobicContact CB-CB 4.08Å; K486-Q489 VanDerWaalsContact O-CB 3.24Å; K486-Q489 WeakPolarHBondContact O-CB 3.38Å; K486-Q489 PolarHBondContact O-N 3.45Å; Q489-H491 WeakPolarHBondContact CG-O 3.49Å; Q489-H491 PolarHBondContact NE2-O 3.48Å; Q489-Y493 HydrophobicContact CG-CE2 3.91Å; Q489-L517 HydrophobicContact CG-CD2 4.37Å
490K91Very high94.8Very high130 Ų13055 Ų5557%0.56527%0.27SS*.  trans-93.3-22179.7-64178.9-1751680114K540K490-K540 WeakPolarHBondContact O-CD 3.37Å
491H95.4Very high94.8Very high36 Ų3657.2 Ų57.217%0.16728%0.282CS..EExtended strand (participates in β ladder)trans-124.4149.2-166.9-55.1-55.1000112.1M485 Q489 Y493 T541 V543M485-H491 WeakPolarHBondContact CE-O 3.46Å; Q489-H491 WeakPolarHBondContact CG-O 3.49Å; Q489-H491 PolarHBondContact NE2-O 3.48Å; H491-Y493 HydrophobicContact CB-CE1 4.15Å; H491-T541 WeakPolarHBondContact CA-O 3.38Å; H491-T541 PolarHBondContact CE1-OG1 2.9Å; H491-T541 PolarHBondContact ND1-OG1 3.05Å; H491-V543 HydrophobicContact CB-CB 4.21Å; H491-V543 HydrophobicContact CB-CG2 3.71Å
492I97.2Very high94.7Very high0 Ų060.9 Ų60.90%030%0.299CS..EExtended strand (participates in β ladder)trans-87.6115167.6-62.6172.8000107.2Y481 M485 I520 F537 K540 T541 L542 V543Y481-I492 HydrophobicContact CD1-CB 4.47Å; Y481-I492 HydrophobicContact CD1-CG1 4.02Å; Y481-I492 HydrophobicContact CD1-CG2 4.01Å; Y481-I492 HydrophobicContact CE1-CB 3.93Å; Y481-I492 HydrophobicContact CE1-CG1 3.77Å; Y481-I492 HydrophobicContact CE1-CG2 3.69Å; M485-I492 HydrophobicContact SD-CG1 4.23Å; I492-I520 HydrophobicContact CG2-CD1 3.46Å; I492-I520 VanDerWaalsContact CG2-CD1 3.46Å; I492-I520 HydrophobicContact CG2-CG1 4.35Å; I492-F537 HydrophobicContact CD1-CB 3.95Å; I492-F537 HydrophobicContact CD1-CD1 4.24Å; I492-K540 HydrophobicContact CD1-CB 4.05Å; I492-K540 HydrophobicContact CG1-CB 3.95Å; I492-T541 PolarHBondContact N-O 3.16Å; I492-L542 HydrophobicContact CB-CG 4.21Å; I492-L542 HydrophobicContact CD1-CD1 4.31Å; I492-L542 HydrophobicContact CG2-CG 4.33Å; I492-L542 WeakPolarHBondContact O-CA 3.31Å; I492-V543 PolarHBondContact O-N 2.86Å
493Y97.6Very high94.7Very high3 Ų359.9 Ų59.91%0.01229%0.293CS..EExtended strand (participates in β ladder)trans-88.3130.5-178.6-59.5-71.3000110.7Y481 Q489 H491 L512 L517 V519 I520 V543 V545 L550 E551Y481-Y493 PolarHBondContact OH-N 2.97Å; Y481-Y493 VanDerWaalsContact OH-N 3.1Å; Q489-Y493 HydrophobicContact CG-CE2 3.91Å; H491-Y493 HydrophobicContact CB-CE1 4.15Å; Y493-L512 HydrophobicContact CD1-CD2 3.83Å; Y493-L512 HydrophobicContact CD2-CD2 3.89Å; Y493-L512 HydrophobicContact CE1-CD2 4.43Å; Y493-L512 HydrophobicContact CE2-CD2 4.48Å; Y493-L512 HydrophobicContact CG-CD2 3.51Å; Y493-L517 HydrophobicContact CD2-CB 4.44Å; Y493-L517 HydrophobicContact CE2-CD1 3.92Å; Y493-L517 HydrophobicContact CE2-CD2 4.41Å; Y493-V519 WeakPolarHBondContact O-CA 3.44Å; Y493-I520 PolarHBondContact O-N 3.23Å; Y493-V543 HydrophobicContact CD1-CB 4.44Å; Y493-V545 HydrophobicContact CD1-CG1 4.36Å; Y493-L550 HydrophobicContact CD1-CD1 3.78Å; Y493-L550 HydrophobicContact CE1-CD1 3.67Å; Y493-E551 PolarHBondContact OH-O 2.7Å
494Y97.9Very high94.7Very high18 Ų1855.4 Ų55.47%0.07127%0.267CS..EExtended strand (participates in β ladder)trans-138.1157.9177.675.1-87.7000112.2T496 I520 M522 V531 L542 V543 S544 V545Y494-T496 HydrophobicContact CD2-CG2 4.15Å; Y494-T496 HydrophobicContact CE2-CG2 4Å; Y494-I520 WeakPolarHBondContact CA-O 3.25Å; Y494-M522 HydrophobicContact CD2-CE 4.13Å; Y494-M522 HydrophobicContact CD2-SD 3.64Å; Y494-M522 HydrophobicContact CE2-SD 4.24Å; Y494-M522 HydrophobicContact CG-CE 4.1Å; Y494-M522 HydrophobicContact CG-SD 4.22Å; Y494-V531 HydrophobicContact CD2-CG1 4.36Å; Y494-V531 HydrophobicContact CE2-CB 4.13Å; Y494-V531 HydrophobicContact CE2-CG1 4.03Å; Y494-V531 HydrophobicContact CE2-CG2 3.9Å; Y494-L542 HydrophobicContact CD1-CB 4Å; Y494-L542 HydrophobicContact CE1-CB 3.84Å; Y494-V543 WeakPolarHBondContact CD1-O 3.27Å; Y494-V543 PolarHBondContact N-O 2.99Å; Y494-V543 VanDerWaalsContact N-O 3.09Å; Y494-S544 VanDerWaalsContact CE1-N 3.29Å; Y494-S544 WeakPolarHBondContact O-CA 3.47Å; Y494-V545 WeakPolarHBondContact O-CG2 3.18Å; Y494-V545 PolarHBondContact O-N 3.42Å
495I98Very high94.7Very high3 Ų356.5 Ų56.52%0.01528%0.281CS..EExtended strand (participates in β ladder)trans-133.6136.1172.3-175.9166.6000109.7V503 F508 V509 V519 I520 Y521 M522 V545 T546I495-V503 HydrophobicContact CD1-CB 4.08Å; I495-V503 HydrophobicContact CD1-CG1 4.31Å; I495-V503 HydrophobicContact CG1-CB 4.12Å; I495-V503 HydrophobicContact CG1-CG1 4.05Å; I495-V503 HydrophobicContact CG2-CB 3.73Å; I495-V503 HydrophobicContact CG2-CG1 4.34Å; I495-V503 HydrophobicContact CG2-CG2 4.23Å; I495-F508 HydrophobicContact CD1-CB 4.21Å; I495-F508 HydrophobicContact CD1-CD2 4.3Å; I495-V509 HydrophobicContact CB-CG1 4.49Å; I495-V509 HydrophobicContact CD1-CG1 4.14Å; I495-V509 HydrophobicContact CG2-CG1 4.13Å; I495-V519 HydrophobicContact CB-CG1 4.39Å; I495-V519 HydrophobicContact CG2-CG1 3.9Å; I495-I520 PolarHBondContact N-O 2.83Å; I495-Y521 HydrophobicContact CG2-CD1 3.46Å; I495-Y521 VanDerWaalsContact CG2-CD1 3.46Å; I495-Y521 HydrophobicContact CG2-CE1 3.84Å; I495-M522 PolarHBondContact O-N 3.43Å; I495-V545 HydrophobicContact CB-CG2 3.63Å; I495-V545 HydrophobicContact CD1-CG2 4.08Å; I495-V545 HydrophobicContact CG1-CG2 4.08Å; I495-T546 HydrophobicContact CD1-CG2 4.25Å; I495-T546 HydrophobicContact CG1-CG2 3.93Å
496T97.6Very high94.7Very high10 Ų1055.8 Ų55.86%0.06128%0.279CS..EExtended strand (participates in β ladder)trans-103.2145.2173.2540000110.4Y494 M522 E528Y494-T496 HydrophobicContact CD2-CG2 4.15Å; Y494-T496 HydrophobicContact CE2-CG2 4Å; T496-M522 CarbonylContact C-O 3.43Å; T496-M522 VanDerWaalsContact CA-O 3.3Å; T496-M522 WeakPolarHBondContact CA-O 3.16Å; T496-M522 HydrophobicContact CG2-CB 3.81Å; T496-M522 HydrophobicContact CG2-SD 4.08Å; T496-E528 WeakPolarHBondContact CB-OE1 3.31Å; T496-E528 HydrophobicContact CG2-CG 4.25Å; T496-E528 PolarHBondContact OG1-OE1 3.4Å
497G95.4Very high94.9Very high6 Ų652.2 Ų52.26%0.06227%0.265CS..  trans-172.8-167.4176.600000112.6M522G497-M522 PolarHBondContact N-O 3.28Å
498E93.5Very high95.2Very high97 Ų9742.5 Ų42.545%0.45322%0.22SC..SBendtrans-87.1-37.6-175.4-63.4-173.3-127.800113R613E498-R613 VanDerWaalsContact CG-CZ 3.49Å; E498-R613 VanDerWaalsContact OE1-CD 3.23Å; E498-R613 WeakPolarHBondContact OE1-CD 3.21Å; E498-R613 IonicContact OE1-NE 3.58Å; E498-R613 PolarHBondContact OE1-NE 3.1Å; E498-R613 IonicContact OE2-NH1 2.7Å
499T95.5Very high95.6Very high72 Ų7237.9 Ų37.944%0.44220%0.195SC..  trans-140.1157.2-177.672.10000111.3D501 Q502 V503T499-D501 VanDerWaalsContact C-N 3.29Å; T499-D501 PolarHBondContact O-N 2.7Å; T499-Q502 PolarHBondContact O-N 3.06Å; T499-Q502 WeakPolarHBondContact OG1-CB 3.29Å; T499-Q502 PolarHBondContact OG1-N 3.31Å; T499-Q502 VanDerWaalsContact OG1-N 3.16Å; T499-V503 WeakPolarHBondContact O-CG2 3.24Å; T499-V503 PolarHBondContact O-N 2.85Å
500K95.5Very high95.7Very high42 Ų4239.2 Ų39.218%0.18320%0.201CC..Hα-helixtrans-56.8-43.9175.6-176.7-177.8176.5178.90111.4Y467 G472 D473 V503 A504 I523Y467-K500 HydrophobicContact CD2-CD 4.29Å; Y467-K500 HydrophobicContact CG-CD 4.24Å; G472-K500 PolarHBondContact O-NZ 2.83Å; D473-K500 IonicContact OD1-NZ 3.33Å; D473-K500 PolarHBondContact OD1-NZ 3.31Å; K500-V503 VanDerWaalsContact O-CG2 3.32Å; K500-V503 WeakPolarHBondContact O-CG2 3.46Å; K500-V503 PolarHBondContact O-N 2.65Å; K500-A504 WeakPolarHBondContact O-CB 3.35Å; K500-A504 PolarHBondContact O-N 3.46Å; K500-I523 HydrophobicContact CB-CD1 4.5Å; K500-I523 HydrophobicContact CB-CG2 4.41Å
501D95.4Very high95.8Very high114 Ų11435 Ų3561%0.6118%0.182SC*.Hα-helixtrans-67.4-38.2-178.3-66.1-23.4000112.5T499 N505T499-D501 VanDerWaalsContact C-N 3.29Å; T499-D501 PolarHBondContact O-N 2.7Å; D501-N505 WeakPolarHBondContact O-CB 3.24Å; D501-N505 PolarHBondContact O-N 3.48Å; D501-N505 PolarHBondContact O-ND2 2.73Å
502Q95.2Very high95.8Very high79 Ų7933.3 Ų33.337%0.36917%0.174SC..Hα-helixtrans-61.3-50.5176.6-177-16943.300110.7T499 N505 S506T499-Q502 PolarHBondContact O-N 3.06Å; T499-Q502 WeakPolarHBondContact OG1-CB 3.29Å; T499-Q502 PolarHBondContact OG1-N 3.31Å; T499-Q502 VanDerWaalsContact OG1-N 3.16Å; Q502-N505 PolarHBondContact O-N 3.25Å; Q502-S506 PolarHBondContact O-N 2.98Å; Q502-S506 VanDerWaalsContact O-N 3.16Å
503V96.1Very high95.6Very high3 Ų338.1 Ų38.12%0.01819%0.192CC..Hα-helixtrans-74-31-177.8-600000112.6I495 T499 K500 N505 S506 Y521 I523I495-V503 HydrophobicContact CD1-CB 4.08Å; I495-V503 HydrophobicContact CD1-CG1 4.31Å; I495-V503 HydrophobicContact CG1-CB 4.12Å; I495-V503 HydrophobicContact CG1-CG1 4.05Å; I495-V503 HydrophobicContact CG2-CB 3.73Å; I495-V503 HydrophobicContact CG2-CG1 4.34Å; I495-V503 HydrophobicContact CG2-CG2 4.23Å; T499-V503 WeakPolarHBondContact O-CG2 3.24Å; T499-V503 PolarHBondContact O-N 2.85Å; K500-V503 VanDerWaalsContact O-CG2 3.32Å; K500-V503 WeakPolarHBondContact O-CG2 3.46Å; K500-V503 PolarHBondContact O-N 2.65Å; V503-N505 VanDerWaalsContact C-N 3.34Å; V503-S506 WeakPolarHBondContact O-CB 3.47Å; V503-S506 PolarHBondContact O-N 3.49Å; V503-Y521 HydrophobicContact CB-CD1 4.21Å; V503-Y521 HydrophobicContact CG2-CD1 3.51Å; V503-Y521 HydrophobicContact CG2-CE1 4.25Å; V503-Y521 HydrophobicContact CG2-CG 3.76Å; V503-I523 HydrophobicContact CG2-CG2 4.22Å
504A95.6Very high95.3Very high14 Ų1444.7 Ų44.712%0.11622%0.221CC..Hα-helixtrans-69.3-31.117500000112.3K500 R513 Y521K500-A504 WeakPolarHBondContact O-CB 3.35Å; K500-A504 PolarHBondContact O-N 3.46Å; A504-R513 VanDerWaalsContact CA-NH2 3.34Å; A504-R513 PolarHBondContact O-NH1 3.3Å; A504-R513 PolarHBondContact O-NH2 3.37Å; A504-Y521 HydrophobicContact CB-CE2 4.29Å
505N94.8Very high94.9Very high130 Ų13046 Ų4670%0.69523%0.228SC*.THydrogen-bonded Turntrans-97.28.5177-64.7-52.9000113.1D501 Q502 V503D501-N505 WeakPolarHBondContact O-CB 3.24Å; D501-N505 PolarHBondContact O-N 3.48Å; D501-N505 PolarHBondContact O-ND2 2.73Å; Q502-N505 PolarHBondContact O-N 3.25Å; V503-N505 VanDerWaalsContact C-N 3.34Å
506S96Very high94.6Very high16 Ų1648.2 Ų48.211%0.11225%0.251CS..  trans-69.5140.6-178.5-176.20000112.5Q502 V503 F508 V509Q502-S506 PolarHBondContact O-N 2.98Å; Q502-S506 VanDerWaalsContact O-N 3.16Å; V503-S506 WeakPolarHBondContact O-CB 3.47Å; V503-S506 PolarHBondContact O-N 3.49Å; S506-F508 PolarHBondContact O-N 3.02Å; S506-F508 VanDerWaalsContact O-N 3.1Å; S506-F508 WeakPolarHBondContact OG-CD2 3.43Å; S506-F508 PolarHBondContact OG-N 2.78Å; S506-V509 VanDerWaalsContact O-CG2 3.27Å; S506-V509 WeakPolarHBondContact O-CG2 3.47Å; S506-V509 PolarHBondContact O-N 3.13Å
507A95.4Very high94.5Very high11 Ų1148 Ų489%0.09125%0.249CC..G310 helixtrans-55.5-28.6173.400000113V509 E510 L593 S596A507-V509 VanDerWaalsContact C-N 3.26Å; A507-V509 PolarHBondContact O-N 3.35Å; A507-E510 PolarHBondContact O-N 3.05Å; A507-L593 HydrophobicContact CB-CD2 3.76Å; A507-S596 WeakPolarHBondContact CB-OG 3.44Å
508F96.6Very high94.6Very high5 Ų548.5 Ų48.52%0.02225%0.25CC..G310 helixtrans-66.8-21.7-178.2-62.9-60.7000114.3I495 S506 L512 V545 T546 C599 I600 V601I495-F508 HydrophobicContact CD1-CB 4.21Å; I495-F508 HydrophobicContact CD1-CD2 4.3Å; S506-F508 PolarHBondContact O-N 3.02Å; S506-F508 VanDerWaalsContact O-N 3.1Å; S506-F508 WeakPolarHBondContact OG-CD2 3.43Å; S506-F508 PolarHBondContact OG-N 2.78Å; F508-L512 WeakPolarHBondContact O-CD1 3.48Å; F508-V545 HydrophobicContact CB-CB 4.23Å; F508-V545 HydrophobicContact CB-CG2 3.72Å; F508-V545 VanDerWaalsContact CD1-O 3.27Å; F508-V545 WeakPolarHBondContact CD1-O 3.4Å; F508-T546 HydrophobicContact CD2-CG2 3.79Å; F508-T546 HydrophobicContact CE2-CG2 4.12Å; F508-T546 HydrophobicContact CG-CG2 4.24Å; F508-C599 HydrophobicContact CE1-CB 3.98Å; F508-C599 HydrophobicContact CZ-CB 4.17Å; F508-I600 VanDerWaalsContact CZ-O 3.31Å; F508-I600 WeakPolarHBondContact CZ-O 3.34Å; F508-V601 HydrophobicContact CD1-CG1 4.4Å; F508-V601 HydrophobicContact CE1-CG1 3.62Å; F508-V601 HydrophobicContact CZ-CG1 4.47Å
509V95.8Very high94.8Very high1 Ų143.9 Ų43.91%0.00623%0.228CC..G310 helixtrans-102.3-7.7-177.2-57.40000113.5I495 S506 A507 R511 L512 R513 V519 V545I495-V509 HydrophobicContact CB-CG1 4.49Å; I495-V509 HydrophobicContact CD1-CG1 4.14Å; I495-V509 HydrophobicContact CG2-CG1 4.13Å; S506-V509 VanDerWaalsContact O-CG2 3.27Å; S506-V509 WeakPolarHBondContact O-CG2 3.47Å; S506-V509 PolarHBondContact O-N 3.13Å; A507-V509 VanDerWaalsContact C-N 3.26Å; A507-V509 PolarHBondContact O-N 3.35Å; V509-R511 PolarHBondContact O-N 3.3Å; V509-L512 PolarHBondContact O-N 3.23Å; V509-R513 WeakPolarHBondContact O-CG 3.33Å; V509-R513 PolarHBondContact O-N 3Å; V509-V519 HydrophobicContact CB-CG2 4.41Å; V509-V519 HydrophobicContact CG1-CB 4.31Å; V509-V519 HydrophobicContact CG1-CG1 3.92Å; V509-V519 HydrophobicContact CG1-CG2 4.21Å; V509-V545 HydrophobicContact CG1-CG2 4.19Å
510E94.2Very high94.9Very high34 Ų3440.5 Ų40.516%0.15921%0.208CC..Hα-helixtrans-56.9-54.7-173.7-66.5174.7177.400112.1A507 R513 K514 V594 T595 S596A507-E510 PolarHBondContact O-N 3.05Å; E510-R513 PolarHBondContact O-N 3.07Å; E510-K514 PolarHBondContact O-N 3.18Å; E510-V594 HydrophobicContact CB-CB 3.88Å; E510-V594 HydrophobicContact CB-CG2 3.73Å; E510-V594 WeakPolarHBondContact OE2-CA 3.46Å; E510-V594 WeakPolarHBondContact OE2-CB 3.39Å; E510-V594 PolarHBondContact OE2-N 3.48Å; E510-T595 PolarHBondContact OE1-OG1 3.08Å; E510-T595 PolarHBondContact OE2-N 3.39Å; E510-T595 PolarHBondContact OE2-OG1 3.14Å; E510-S596 PolarHBondContact OE1-OG 3.35Å; E510-S596 PolarHBondContact OE2-N 2.99Å
511R93.7Very high95Very high42 Ų4238.8 Ų38.816%0.15820%0.2CC..Hα-helixtrans-69.9-35.3-178.3-175.17754.3174.73.3112.4V509 K514 H515 L552 N591 R592 L593 V594V509-R511 PolarHBondContact O-N 3.3Å; R511-K514 WeakPolarHBondContact O-CB 3.5Å; R511-K514 PolarHBondContact O-N 2.94Å; R511-H515 WeakPolarHBondContact CD-CE1 3.45Å; R511-H515 PolarHBondContact O-N 2.75Å; R511-H515 PolarHBondContact O-ND1 2.68Å; R511-L552 HydrophobicContact CB-CD1 4.27Å; R511-L552 HydrophobicContact CG-CD1 3.56Å; R511-N591 VanDerWaalsContact CG-O 3.29Å; R511-N591 WeakPolarHBondContact CG-O 3.45Å; R511-N591 PolarHBondContact NE-O 3.25Å; R511-R592 VanDerWaalsContact CB-C 3.45Å; R511-R592 WeakPolarHBondContact CB-O 3.49Å; R511-R592 PolarHBondContact N-O 2.98Å; R511-L593 PolarHBondContact NE-O 3.36Å; R511-L593 PolarHBondContact NH2-O 2.96Å; R511-V594 HydrophobicContact CB-CG2 3.95Å
512L94Very high95.1Very high0 Ų033.4 Ų33.40%017%0.171CC..Hα-helixtrans-60.7-48.5176.2-71.588.5000110.6Y493 F508 V509 K514 H515 G516 L517 V519 V545 L550 L552Y493-L512 HydrophobicContact CD1-CD2 3.83Å; Y493-L512 HydrophobicContact CD2-CD2 3.89Å; Y493-L512 HydrophobicContact CE1-CD2 4.43Å; Y493-L512 HydrophobicContact CE2-CD2 4.48Å; Y493-L512 HydrophobicContact CG-CD2 3.51Å; F508-L512 WeakPolarHBondContact O-CD1 3.48Å; V509-L512 PolarHBondContact O-N 3.23Å; L512-K514 VanDerWaalsContact C-N 3.33Å; L512-K514 PolarHBondContact O-N 2.95Å; L512-H515 CarbonylContact O-C 3.6Å; L512-H515 PolarHBondContact O-N 3.41Å; L512-H515 VanDerWaalsContact O-N 3.11Å; L512-G516 PolarHBondContact O-N 3.02Å; L512-G516 VanDerWaalsContact O-N 3.13Å; L512-L517 HydrophobicContact CB-CB 4.16Å; L512-L517 PolarHBondContact O-N 3.12Å; L512-V519 HydrophobicContact CB-CG2 3.86Å; L512-V519 HydrophobicContact CD2-CG2 3.74Å; L512-V519 HydrophobicContact CG-CG2 4.37Å; L512-V545 HydrophobicContact CD1-CG1 4.16Å; L512-V545 HydrophobicContact CD2-CG1 3.63Å; L512-L550 HydrophobicContact CD1-CD2 3.75Å; L512-L552 HydrophobicContact CD1-CD2 4.14Å; L512-L552 HydrophobicContact CD2-CD2 4.26Å; L512-L552 HydrophobicContact CG-CD2 3.79Å
513R93.1Very high95.2Very high100 Ų10032 Ų3238%0.37717%0.166SC..Hα-helixtrans-60.8-41.2174.6-73.8177.7172.3174.9-1.3112.3A504 V509 E510 H515 G516 Y521A504-R513 VanDerWaalsContact CA-NH2 3.34Å; A504-R513 PolarHBondContact O-NH1 3.3Å; A504-R513 PolarHBondContact O-NH2 3.37Å; V509-R513 WeakPolarHBondContact O-CG 3.33Å; V509-R513 PolarHBondContact O-N 3Å; E510-R513 PolarHBondContact O-N 3.07Å; R513-H515 PolarHBondContact O-N 3.41Å; R513-G516 WeakPolarHBondContact O-CA 3.39Å; R513-G516 PolarHBondContact O-N 3.3Å; R513-Y521 PolarHBondContact NE-OH 2.91Å; R513-Y521 PolarHBondContact NH2-OH 3.37Å
514K91.5Very high95.2Very high142 Ų14234.2 Ų34.262%0.61718%0.176SC*.Hα-helixtrans-60.6-34.8175.4-171175.5179.8177.50112.3E510 R511 L512 G516 V594E510-K514 PolarHBondContact O-N 3.18Å; R511-K514 WeakPolarHBondContact O-CB 3.5Å; R511-K514 PolarHBondContact O-N 2.94Å; L512-K514 VanDerWaalsContact C-N 3.33Å; L512-K514 PolarHBondContact O-N 2.95Å; K514-G516 PolarHBondContact O-N 3.22Å; K514-V594 HydrophobicContact CD-CG1 4.36Å; K514-V594 HydrophobicContact CD-CG2 4.26Å
515H90Very high95.2Very high46 Ų4637 Ų3721%0.21319%0.193CC..THydrogen-bonded Turntrans-82.94.4173.2-73.974.6000113.1K486 R511 L512 R513 L517 E558K486-H515 WeakPolarHBondContact CE-O 3.43Å; K486-H515 PolarHBondContact NZ-O 2.84Å; R511-H515 WeakPolarHBondContact CD-CE1 3.45Å; R511-H515 PolarHBondContact O-N 2.75Å; R511-H515 PolarHBondContact O-ND1 2.68Å; L512-H515 CarbonylContact O-C 3.6Å; L512-H515 PolarHBondContact O-N 3.41Å; L512-H515 VanDerWaalsContact O-N 3.11Å; R513-H515 PolarHBondContact O-N 3.41Å; H515-L517 HydrophobicContact CB-CD1 4.16Å; H515-L517 HydrophobicContact CB-CG 4.11Å; H515-L517 PolarHBondContact O-N 3.42Å; H515-E558 IonicContact NE2-OE1 2.62Å; H515-E558 IonicContact NE2-OE2 2.74Å
516G92.3Very high95.3Very high49 Ų4932.5 Ų32.551%0.50517%0.169SC..THydrogen-bonded Turntrans61.427.4-17600000114K486 L512 R513 K514K486-G516 WeakPolarHBondContact CE-O 3.3Å; L512-G516 PolarHBondContact O-N 3.02Å; L512-G516 VanDerWaalsContact O-N 3.13Å; R513-G516 WeakPolarHBondContact O-CA 3.39Å; R513-G516 PolarHBondContact O-N 3.3Å; K514-G516 PolarHBondContact O-N 3.22Å
517L94.9Very high95.3Very high4 Ų431.9 Ų31.92%0.02116%0.164CC..  trans-87.1133.1173-61.9170.5000109.4K486 Q489 Y493 L512 H515 L552 P553K486-L517 HydrophobicContact CD-CD2 3.91Å; K486-L517 HydrophobicContact CG-CD2 4.29Å; Q489-L517 HydrophobicContact CG-CD2 4.37Å; Y493-L517 HydrophobicContact CD2-CB 4.44Å; Y493-L517 HydrophobicContact CE2-CD1 3.92Å; Y493-L517 HydrophobicContact CE2-CD2 4.41Å; L512-L517 HydrophobicContact CB-CB 4.16Å; L512-L517 PolarHBondContact O-N 3.12Å; H515-L517 HydrophobicContact CB-CD1 4.16Å; H515-L517 HydrophobicContact CB-CG 4.11Å; H515-L517 PolarHBondContact O-N 3.42Å; L517-L552 HydrophobicContact CD1-CD2 4.1Å; L517-P553 HydrophobicContact CD1-CG 4.26Å; L517-P553 HydrophobicContact CD2-CG 4.26Å
518E96.8Very high95.3Very high17 Ų1731.7 Ų31.78%0.07916%0.161CC..  trans-79.1136.7179.1-168.7174.6160.800110.6T468 S469 A470 Y481 R484T468-E518 VanDerWaalsContact CB-OE1 3.25Å; T468-E518 WeakPolarHBondContact CB-OE1 3.37Å; T468-E518 HydrophobicContact CG2-CG 4.39Å; T468-E518 VanDerWaalsContact CG2-OE1 3.31Å; T468-E518 WeakPolarHBondContact CG2-OE1 3.32Å; T468-E518 PolarHBondContact OG1-OE1 3.04Å; S469-E518 WeakPolarHBondContact OG-CA 3.32Å; A470-E518 HydrophobicContact CB-CG 3.92Å; Y481-E518 HydrophobicContact CD2-CB 4.16Å; Y481-E518 HydrophobicContact CD2-CG 3.83Å; Y481-E518 HydrophobicContact CE2-CB 3.63Å; Y481-E518 HydrophobicContact CE2-CG 3.7Å; Y481-E518 VanDerWaalsContact CE2-O 3.27Å; Y481-E518 WeakPolarHBondContact CE2-O 3.41Å; Y481-E518 PolarHBondContact OH-O 2.92Å; R484-E518 IonicContact CZ-OE1 3.27Å; R484-E518 IonicContact CZ-OE2 3.1Å; R484-E518 IonicContact NE-OE1 3.73Å; R484-E518 IonicContact NE-OE2 3.31Å; R484-E518 PolarHBondContact NE-OE2 2.75Å; R484-E518 IonicContact NH2-OE1 3.59Å; R484-E518 PolarHBondContact NH2-OE1 2.84Å; R484-E518 IonicContact NH2-OE2 2.65Å
519V97.6Very high95.2Very high0 Ų033.8 Ų33.80%017%0.169CC..EExtended strand (participates in β ladder)trans-120.6131.4177.6-1720000110T468 S469 Y493 I495 V509 L512 Y521 V545T468-V519 CarbonylContact C-O 3.53Å; T468-V519 WeakPolarHBondContact CA-O 3.47Å; S469-V519 PolarHBondContact N-O 3.01Å; S469-V519 PolarHBondContact OG-N 3.46Å; Y493-V519 WeakPolarHBondContact O-CA 3.44Å; I495-V519 HydrophobicContact CB-CG1 4.39Å; I495-V519 HydrophobicContact CG2-CG1 3.9Å; V509-V519 HydrophobicContact CB-CG2 4.41Å; V509-V519 HydrophobicContact CG1-CB 4.31Å; V509-V519 HydrophobicContact CG1-CG1 3.92Å; V509-V519 HydrophobicContact CG1-CG2 4.21Å; L512-V519 HydrophobicContact CB-CG2 3.86Å; L512-V519 HydrophobicContact CD2-CG2 3.74Å; L512-V519 HydrophobicContact CG-CG2 4.37Å; V519-Y521 HydrophobicContact CB-CE1 4.37Å; V519-Y521 HydrophobicContact CG1-CE1 4.37Å; V519-V545 HydrophobicContact CG1-CG1 4.46Å
520I98.3Very high95.3Very high2 Ų233.7 Ų33.71%0.0117%0.169CC..EExtended strand (participates in β ladder)trans-80.4131.8175.5-59-179.7000110.3Y466 T468 L478 Y481 I492 Y493 Y494 I495 M522Y466-I520 VanDerWaalsContact CB-CG2 3.46Å; Y466-I520 HydrophobicContact CD1-CG2 4.25Å; Y466-I520 HydrophobicContact CD2-CG2 3.9Å; Y466-I520 HydrophobicContact CG-CG2 3.63Å; T468-I520 HydrophobicContact CG2-CG1 4.27Å; L478-I520 HydrophobicContact CD2-CD1 3.43Å; L478-I520 VanDerWaalsContact CD2-CD1 3.43Å; Y481-I520 HydrophobicContact CD2-CD1 4.01Å; Y481-I520 HydrophobicContact CD2-CG1 3.72Å; Y481-I520 HydrophobicContact CE2-CD1 4.29Å; Y481-I520 HydrophobicContact CE2-CG1 3.81Å; Y481-I520 HydrophobicContact CG-CD1 4.25Å; Y481-I520 HydrophobicContact CG-CG1 4.44Å; I492-I520 HydrophobicContact CG2-CD1 3.46Å; I492-I520 VanDerWaalsContact CG2-CD1 3.46Å; I492-I520 HydrophobicContact CG2-CG1 4.35Å; Y493-I520 PolarHBondContact O-N 3.23Å; Y494-I520 WeakPolarHBondContact CA-O 3.25Å; I495-I520 PolarHBondContact N-O 2.83Å; I520-M522 HydrophobicContact CG2-CE 3.96Å; I520-M522 HydrophobicContact CG2-CG 4.25Å
521Y98.1Very high95.3Very high6 Ų632.7 Ų32.72%0.02417%0.165CC..EExtended strand (participates in β ladder)trans-99.1118.1176.7-59.1-38.4000111.3Y467 T468 S469 I495 V503 A504 R513 V519Y467-Y521 PolarHBondContact O-N 3.18Å; T468-Y521 VanDerWaalsContact C-CE2 3.4Å; T468-Y521 WeakPolarHBondContact O-CE2 3.27Å; S469-Y521 WeakPolarHBondContact CA-OH 3.34Å; S469-Y521 WeakPolarHBondContact CB-OH 3.48Å; I495-Y521 HydrophobicContact CG2-CD1 3.46Å; I495-Y521 VanDerWaalsContact CG2-CD1 3.46Å; I495-Y521 HydrophobicContact CG2-CE1 3.84Å; V503-Y521 HydrophobicContact CB-CD1 4.21Å; V503-Y521 HydrophobicContact CG2-CD1 3.51Å; V503-Y521 HydrophobicContact CG2-CE1 4.25Å; V503-Y521 HydrophobicContact CG2-CG 3.76Å; A504-Y521 HydrophobicContact CB-CE2 4.29Å; R513-Y521 PolarHBondContact NE-OH 2.91Å; R513-Y521 PolarHBondContact NH2-OH 3.37Å; V519-Y521 HydrophobicContact CB-CE1 4.37Å; V519-Y521 HydrophobicContact CG1-CE1 4.37Å
522M98.2Very high95.3Very high1 Ų134.5 Ų34.51%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-114.2114.8178.5-69.4178.8-175.600109.1Y466 Y494 I495 T496 G497 I520 D527 V531Y466-M522 HydrophobicContact CD1-CG 3.97Å; Y466-M522 HydrophobicContact CE1-CE 4.31Å; Y466-M522 HydrophobicContact CE1-CG 3.82Å; Y466-M522 HydrophobicContact CE2-CE 4.23Å; Y494-M522 HydrophobicContact CD2-CE 4.13Å; Y494-M522 HydrophobicContact CD2-SD 3.64Å; Y494-M522 HydrophobicContact CE2-SD 4.24Å; Y494-M522 HydrophobicContact CG-CE 4.1Å; Y494-M522 HydrophobicContact CG-SD 4.22Å; I495-M522 PolarHBondContact O-N 3.43Å; T496-M522 CarbonylContact C-O 3.43Å; T496-M522 VanDerWaalsContact CA-O 3.3Å; T496-M522 WeakPolarHBondContact CA-O 3.16Å; T496-M522 HydrophobicContact CG2-CB 3.81Å; T496-M522 HydrophobicContact CG2-SD 4.08Å; G497-M522 PolarHBondContact N-O 3.28Å; I520-M522 HydrophobicContact CG2-CE 3.96Å; I520-M522 HydrophobicContact CG2-CG 4.25Å; M522-D527 WeakPolarHBondContact CA-OD2 3.44Å; M522-D527 HydrophobicContact CB-CB 3.69Å; M522-D527 HydrophobicContact CG-CB 4.16Å; M522-D527 HydrophobicContact SD-CB 4.3Å; M522-V531 HydrophobicContact CE-CG1 3.45Å; M522-V531 VanDerWaalsContact CE-CG1 3.45Å; M522-V531 HydrophobicContact SD-CG1 3.24Å; M522-V531 WeakPolarHBondContact SD-CG1 3.27Å
523I96.7Very high95.4Very high50 Ų5037.8 Ų37.826%0.25619%0.191SC..  trans-125.80.8-163.163.1171.6000112.7Y467 K500 V503 D527Y467-I523 HydrophobicContact CD2-CD1 4.22Å; Y467-I523 HydrophobicContact CE2-CD1 4.19Å; K500-I523 HydrophobicContact CB-CD1 4.5Å; K500-I523 HydrophobicContact CB-CG2 4.41Å; V503-I523 HydrophobicContact CG2-CG2 4.22Å; I523-D527 PolarHBondContact N-OD2 2.89Å
524E96.2Very high95.5Very high48 Ų4833.3 Ų33.322%0.22417%0.174CC..SBendtrans-104.7144.4174.9-63.4-171.297.600110.5K444 K447 I526 D527K444-E524 WeakPolarHBondContact CE-OE1 3.4Å; K447-E524 IonicContact NZ-OE2 3.54Å; K447-E524 PolarHBondContact NZ-OE2 3.1Å; E524-I526 HydrophobicContact CB-CG2 4.08Å; E524-I526 PolarHBondContact O-N 3.18Å; E524-I526 VanDerWaalsContact O-N 3.12Å; E524-D527 PolarHBondContact N-OD2 3.49Å; E524-D527 VanDerWaalsContact O-CB 3.26Å; E524-D527 WeakPolarHBondContact O-CB 3.43Å; E524-D527 PolarHBondContact O-N 3.31Å
525P95.3Very high95.6Very high73 Ų7334.1 Ų34.147%0.47418%0.177SC..Hα-helixtrans-55.4-31.8176.3-28.335.7000114.3D527 I614P525-D527 PolarHBondContact O-N 2.82Å; P525-I614 HydrophobicContact CB-CD1 3.9Å; P525-I614 HydrophobicContact CB-CG1 4.14Å
526I95.8Very high95.8Very high36 Ų3637.9 Ų37.919%0.18520%0.195CC..Hα-helixtrans-70.7-19.1178.3-164.9166.6000113K444 K447 L448 E524 E528 Y529 C530K444-I526 HydrophobicContact CG-CG2 4.48Å; K444-I526 WeakPolarHBondContact O-CD1 3.42Å; K447-I526 HydrophobicContact CB-CD1 4.06Å; K447-I526 HydrophobicContact CB-CG1 4.06Å; K447-I526 HydrophobicContact CB-CG2 4.09Å; K447-I526 HydrophobicContact CD-CG2 3.62Å; L448-I526 HydrophobicContact CB-CD1 4.13Å; E524-I526 HydrophobicContact CB-CG2 4.08Å; E524-I526 PolarHBondContact O-N 3.18Å; E524-I526 VanDerWaalsContact O-N 3.12Å; I526-E528 VanDerWaalsContact C-N 3.27Å; I526-E528 PolarHBondContact O-N 2.65Å; I526-Y529 PolarHBondContact O-N 3.36Å; I526-Y529 VanDerWaalsContact O-N 3.16Å; I526-C530 PolarHBondContact O-N 3.48Å
527D97.7Very high96Very high2 Ų235.9 Ų35.91%0.01117%0.173CC..Hα-helixtrans-63.5-36.4178.4-70.3-36.6000111.9K447 Y466 M522 I523 E524 P525 Y529 C530 V531K447-D527 VanDerWaalsContact CD-OD1 3.27Å; K447-D527 WeakPolarHBondContact CD-OD1 3.29Å; K447-D527 WeakPolarHBondContact CE-OD1 3.17Å; K447-D527 IonicContact NZ-OD1 3.97Å; K447-D527 PolarHBondContact NZ-OD1 3Å; K447-D527 IonicContact NZ-OD2 2.96Å; Y466-D527 WeakPolarHBondContact CE1-OD1 3.15Å; M522-D527 WeakPolarHBondContact CA-OD2 3.44Å; M522-D527 HydrophobicContact CB-CB 3.69Å; M522-D527 HydrophobicContact CG-CB 4.16Å; M522-D527 HydrophobicContact SD-CB 4.3Å; I523-D527 PolarHBondContact N-OD2 2.89Å; E524-D527 PolarHBondContact N-OD2 3.49Å; E524-D527 VanDerWaalsContact O-CB 3.26Å; E524-D527 WeakPolarHBondContact O-CB 3.43Å; E524-D527 PolarHBondContact O-N 3.31Å; P525-D527 PolarHBondContact O-N 2.82Å; D527-Y529 VanDerWaalsContact C-N 3.31Å; D527-Y529 PolarHBondContact O-N 3.37Å; D527-C530 WeakPolarHBondContact O-CB 3.23Å; D527-C530 PolarHBondContact O-N 3.05Å; D527-C530 VanDerWaalsContact O-N 3.12Å; D527-V531 WeakPolarHBondContact O-CG2 3.4Å; D527-V531 PolarHBondContact O-N 3.41Å
528E95.1Very high95.9Very high7 Ų741.1 Ų41.13%0.03320%0.197CC..Hα-helixtrans-58.7-41.1174.5-86.5-68.2-179.800112T496 I526 Q532 T608 N610 M611 I614T496-E528 WeakPolarHBondContact CB-OE1 3.31Å; T496-E528 HydrophobicContact CG2-CG 4.25Å; T496-E528 PolarHBondContact OG1-OE1 3.4Å; I526-E528 VanDerWaalsContact C-N 3.27Å; I526-E528 PolarHBondContact O-N 2.65Å; E528-Q532 WeakPolarHBondContact O-CG 3.42Å; E528-Q532 PolarHBondContact O-N 2.56Å; E528-T608 PolarHBondContact OE1-OG1 3.01Å; E528-T608 PolarHBondContact OE2-OG1 3.42Å; E528-N610 VanDerWaalsContact CG-ND2 3.25Å; E528-N610 WeakPolarHBondContact CG-ND2 3.07Å; E528-N610 WeakPolarHBondContact OE1-CB 3.43Å; E528-N610 PolarHBondContact OE1-ND2 2.92Å; E528-M611 HydrophobicContact CB-CE 3.51Å; E528-M611 HydrophobicContact CB-SD 4.37Å; E528-M611 HydrophobicContact CG-CE 4.16Å; E528-M611 WeakPolarHBondContact OE2-CE 3.3Å; E528-I614 HydrophobicContact CB-CD1 4.08Å; E528-I614 HydrophobicContact CG-CD1 3.82Å
529Y94.4Very high95.8Very high49 Ų4943.3 Ų43.319%0.19222%0.224CC..Hα-helixtrans-72.7-31.7174.7-66.9-86.7000112.8H451 I526 D527 I614 M615 Q618H451-Y529 AromaticContact CE1-CD1 3.94Å; H451-Y529 PolarHBondContact ND1-O 3.46Å; H451-Y529 VanDerWaalsContact ND1-O 3.17Å; I526-Y529 PolarHBondContact O-N 3.36Å; I526-Y529 VanDerWaalsContact O-N 3.16Å; D527-Y529 VanDerWaalsContact C-N 3.31Å; D527-Y529 PolarHBondContact O-N 3.37Å; Y529-I614 HydrophobicContact CE2-CG2 4.18Å; Y529-M615 HydrophobicContact CE1-CE 3.45Å; Y529-M615 VanDerWaalsContact CE1-CE 3.45Å; Y529-M615 VanDerWaalsContact CZ-CE 3.48Å; Y529-M615 WeakPolarHBondContact OH-CE 3.39Å; Y529-Q618 PolarHBondContact OH-OE1 3.28Å
530C96.5Very high95.6Very high0 Ų047 Ų470%024%0.24CC..Hα-helixtrans-67.6-50.5178-177.30000111.3K447 I450 I526 D527 Q532 Q533 L534K447-C530 HydrophobicContact CB-CB 4.44Å; I450-C530 VanDerWaalsContact CG2-SG 3.58Å; I526-C530 PolarHBondContact O-N 3.48Å; D527-C530 WeakPolarHBondContact O-CB 3.23Å; D527-C530 PolarHBondContact O-N 3.05Å; D527-C530 VanDerWaalsContact O-N 3.12Å; C530-Q532 VanDerWaalsContact C-N 3.28Å; C530-Q532 PolarHBondContact O-N 3.5Å; C530-Q533 PolarHBondContact O-N 3Å; C530-Q533 VanDerWaalsContact O-N 3.11Å; C530-L534 PolarHBondContact O-N 3.32Å
531V95.3Very high95.5Very high12 Ų1249.7 Ų49.77%0.07326%0.257CS..Hα-helixtrans-71.4-19.5-178.2-64.10000114.4Y494 M522 D527 Q533Y494-V531 HydrophobicContact CD2-CG1 4.36Å; Y494-V531 HydrophobicContact CE2-CB 4.13Å; Y494-V531 HydrophobicContact CE2-CG1 4.03Å; Y494-V531 HydrophobicContact CE2-CG2 3.9Å; M522-V531 HydrophobicContact CE-CG1 3.45Å; M522-V531 VanDerWaalsContact CE-CG1 3.45Å; M522-V531 HydrophobicContact SD-CG1 3.24Å; M522-V531 WeakPolarHBondContact SD-CG1 3.27Å; D527-V531 WeakPolarHBondContact O-CG2 3.4Å; D527-V531 PolarHBondContact O-N 3.41Å; V531-Q533 PolarHBondContact O-N 3.24Å
532Q92.8Very high95.5Very high81 Ų8150.4 Ų50.438%0.37926%0.261SS..Hα-helixtrans-61.2-34.5169.3-79.8179.7-5.700112.4E528 C530 M611E528-Q532 WeakPolarHBondContact O-CG 3.42Å; E528-Q532 PolarHBondContact O-N 2.56Å; C530-Q532 VanDerWaalsContact C-N 3.28Å; C530-Q532 PolarHBondContact O-N 3.5Å; Q532-M611 HydrophobicContact CG-CE 4.31Å
533Q95.9Very high95.4Very high69 Ų6952.2 Ų52.232%0.32227%0.271SS..Hα-helixtrans-95-32.6-178.9-58.6-55.9-36.900112.3C530 V531 K535C530-Q533 PolarHBondContact O-N 3Å; C530-Q533 VanDerWaalsContact O-N 3.11Å; V531-Q533 PolarHBondContact O-N 3.24Å; Q533-K535 PolarHBondContact O-N 3.11Å; Q533-K535 VanDerWaalsContact O-N 3.1Å
534L95.8Very high95.3Very high6 Ų650.1 Ų50.13%0.03126%0.261CS..  trans-83.976.5178.4-171.364.7000111.4I450 L464 L478 C530 L542I450-L534 HydrophobicContact CG2-CB 4.35Å; L464-L534 HydrophobicContact CD1-CD2 3.81Å; L478-L534 HydrophobicContact CD1-CD2 3.83Å; C530-L534 PolarHBondContact O-N 3.32Å; L534-L542 HydrophobicContact CD2-CD2 3.91Å; L534-L542 HydrophobicContact CG-CD1 4.33Å; L534-L542 HydrophobicContact CG-CD2 4.04Å
535K92.9Very high95.4Very high158 Ų15847.8 Ų47.869%0.68725%0.251SS*.  trans-74.3-33.1-178.8-62.8-176.4-179.5179.60113.7Q533 T541 L542Q533-K535 PolarHBondContact O-N 3.11Å; Q533-K535 VanDerWaalsContact O-N 3.1Å; K535-T541 WeakPolarHBondContact O-CA 3.35Å; K535-L542 PolarHBondContact O-N 2.92Å
536E95.2Very high95.4Very high126 Ų12645.1 Ų45.159%0.58923%0.233SC*.EExtended strand (participates in β ladder)trans-142.2152.5-178.764.1177.4-160.300111.4K540E536-K540 CarbonylContact C-O 3.42Å; E536-K540 VanDerWaalsContact CA-O 3.25Å; E536-K540 WeakPolarHBondContact CA-O 3.45Å
537F96.7Very high95.3Very high7 Ų746 Ų463%0.03124%0.235CC..EExtended strand (participates in β ladder)trans-139.9126.4172.2-177.6-94.1000108.5S461 E462 L478 K479 I492 G539 K540 L542S461-F537 WeakPolarHBondContact OG-CD2 3.41Å; S461-F537 WeakPolarHBondContact OG-CE2 3.46Å; E462-F537 HydrophobicContact CG-CE2 4.16Å; E462-F537 HydrophobicContact CG-CZ 4.38Å; L478-F537 HydrophobicContact CB-CD1 3.69Å; L478-F537 HydrophobicContact CB-CD2 4.18Å; L478-F537 HydrophobicContact CB-CE1 3.49Å; L478-F537 VanDerWaalsContact CB-CE1 3.49Å; L478-F537 HydrophobicContact CB-CE2 3.99Å; L478-F537 HydrophobicContact CB-CG 4.04Å; L478-F537 HydrophobicContact CB-CZ 3.66Å; L478-F537 HydrophobicContact CD1-CB 4.42Å; L478-F537 HydrophobicContact CD1-CD1 4.45Å; L478-F537 HydrophobicContact CD1-CD2 3.75Å; L478-F537 HydrophobicContact CD1-CE2 4.11Å; L478-F537 HydrophobicContact CD1-CG 3.95Å; K479-F537 HydrophobicContact CB-CE1 4.47Å; K479-F537 HydrophobicContact CB-CZ 4.44Å; I492-F537 HydrophobicContact CD1-CB 3.95Å; I492-F537 HydrophobicContact CD1-CD1 4.24Å; F537-G539 PolarHBondContact O-N 3.39Å; F537-G539 VanDerWaalsContact O-N 3.12Å; F537-K540 PolarHBondContact N-O 3.14Å; F537-K540 WeakPolarHBondContact O-CB 3.34Å; F537-K540 PolarHBondContact O-N 2.96Å; F537-L542 HydrophobicContact CB-CD1 4.04Å
538E93.5Very high95.1Very high114 Ų11448.4 Ų48.453%0.53325%0.247SC..THydrogen-bonded Turntrans49.237.3-175.8-64.4-174.7152.700114.3K540E538-K540 PolarHBondContact O-N 2.84Å
539G93.1Very high94.8Very high62 Ų6251.5 Ų51.564%0.63928%0.28SS*.THydrogen-bonded Turntrans75.93.7-17900000114.9F537F537-G539 PolarHBondContact O-N 3.39Å; F537-G539 VanDerWaalsContact O-N 3.12Å
540K95.2Very high94.7Very high77 Ų7749.4 Ų49.434%0.33527%0.272SS..EExtended strand (participates in β ladder)trans-98.8129.3173.6-54.8-63.2-174167.90109.4M485 K490 I492 E536 F537 E538M485-K540 HydrophobicContact CE-CB 4.46Å; M485-K540 HydrophobicContact CE-CD 3.95Å; M485-K540 HydrophobicContact CE-CG 4.04Å; M485-K540 HydrophobicContact SD-CD 4.46Å; M485-K540 HydrophobicContact SD-CG 4.04Å; K490-K540 WeakPolarHBondContact O-CD 3.37Å; I492-K540 HydrophobicContact CD1-CB 4.05Å; I492-K540 HydrophobicContact CG1-CB 3.95Å; E536-K540 CarbonylContact C-O 3.42Å; E536-K540 VanDerWaalsContact CA-O 3.25Å; E536-K540 WeakPolarHBondContact CA-O 3.45Å; F537-K540 PolarHBondContact N-O 3.14Å; F537-K540 WeakPolarHBondContact O-CB 3.34Å; F537-K540 PolarHBondContact O-N 2.96Å; E538-K540 PolarHBondContact O-N 2.84Å
541T96.1Very high94.3Very high60 Ų6054.5 Ų54.537%0.36830%0.296SS..EExtended strand (participates in β ladder)trans-78.4143177.657.10000110.9H491 I492 K535H491-T541 WeakPolarHBondContact CA-O 3.38Å; H491-T541 PolarHBondContact CE1-OG1 2.9Å; H491-T541 PolarHBondContact ND1-OG1 3.05Å; I492-T541 PolarHBondContact N-O 3.16Å; K535-T541 WeakPolarHBondContact O-CA 3.35Å
542L96.8Very high94Very high21 Ų2154.2 Ų54.211%0.1129%0.294CS..EExtended strand (participates in β ladder)trans-85.7126.6175-74.377000108.9I492 Y494 L534 K535 F537I492-L542 HydrophobicContact CB-CG 4.21Å; I492-L542 HydrophobicContact CD1-CD1 4.31Å; I492-L542 HydrophobicContact CG2-CG 4.33Å; I492-L542 WeakPolarHBondContact O-CA 3.31Å; Y494-L542 HydrophobicContact CD1-CB 4Å; Y494-L542 HydrophobicContact CE1-CB 3.84Å; L534-L542 HydrophobicContact CD2-CD2 3.91Å; L534-L542 HydrophobicContact CG-CD1 4.33Å; L534-L542 HydrophobicContact CG-CD2 4.04Å; K535-L542 PolarHBondContact O-N 2.92Å; F537-L542 HydrophobicContact CB-CD1 4.04Å
543V95.8Very high93.6Very high38 Ų3851.8 Ų51.823%0.2329%0.285CS..EExtended strand (participates in β ladder)trans-122.6121.1-177.7176.70000109.9H491 I492 Y493 Y494 V545 L550H491-V543 HydrophobicContact CB-CB 4.21Å; H491-V543 HydrophobicContact CB-CG2 3.71Å; I492-V543 PolarHBondContact O-N 2.86Å; Y493-V543 HydrophobicContact CD1-CB 4.44Å; Y494-V543 WeakPolarHBondContact CD1-O 3.27Å; Y494-V543 PolarHBondContact N-O 2.99Å; Y494-V543 VanDerWaalsContact N-O 3.09Å; V543-V545 PolarHBondContact O-N 3.32Å; V543-L550 HydrophobicContact CG1-CD1 4.02Å
544S96.3Very high92.9Very high6 Ų650.8 Ų50.84%0.04228%0.281CS..EExtended strand (participates in β ladder)trans-72.6127.1172.8-1780000110.3Y494 T546 K547Y494-S544 VanDerWaalsContact CE1-N 3.29Å; Y494-S544 WeakPolarHBondContact O-CA 3.47Å; S544-T546 PolarHBondContact O-N 3.25Å; S544-T546 PolarHBondContact OG-N 3.12Å; S544-T546 PolarHBondContact OG-OG1 2.78Å; S544-K547 PolarHBondContact O-N 3.24Å
545V96.3Very high92.1Very high0 Ų054.5 Ų54.50%030%0.3CS..THydrogen-bonded Turntrans-72.6-3.4174.3-56.70000113.3Y493 Y494 I495 F508 V509 L512 V519 V543 L550 R592Y493-V545 HydrophobicContact CD1-CG1 4.36Å; Y494-V545 WeakPolarHBondContact O-CG2 3.18Å; Y494-V545 PolarHBondContact O-N 3.42Å; I495-V545 HydrophobicContact CB-CG2 3.63Å; I495-V545 HydrophobicContact CD1-CG2 4.08Å; I495-V545 HydrophobicContact CG1-CG2 4.08Å; F508-V545 HydrophobicContact CB-CB 4.23Å; F508-V545 HydrophobicContact CB-CG2 3.72Å; F508-V545 VanDerWaalsContact CD1-O 3.27Å; F508-V545 WeakPolarHBondContact CD1-O 3.4Å; V509-V545 HydrophobicContact CG1-CG2 4.19Å; L512-V545 HydrophobicContact CD1-CG1 4.16Å; L512-V545 HydrophobicContact CD2-CG1 3.63Å; V519-V545 HydrophobicContact CG1-CG1 4.46Å; V543-V545 PolarHBondContact O-N 3.32Å; V545-L550 HydrophobicContact CB-CD2 4.27Å; V545-L550 HydrophobicContact CG1-CD1 4.25Å; V545-L550 HydrophobicContact CG1-CD2 4.35Å; V545-R592 PolarHBondContact O-NH1 3.2Å
546T95.8Very high91.8Very high16 Ų1655.4 Ų55.410%0.09831%0.307CS..THydrogen-bonded Turntrans-94.1-11.5177.765.90000113.5I495 F508 S544 V601 T602I495-T546 HydrophobicContact CD1-CG2 4.25Å; I495-T546 HydrophobicContact CG1-CG2 3.93Å; F508-T546 HydrophobicContact CD2-CG2 3.79Å; F508-T546 HydrophobicContact CE2-CG2 4.12Å; F508-T546 HydrophobicContact CG-CG2 4.24Å; S544-T546 PolarHBondContact O-N 3.25Å; S544-T546 PolarHBondContact OG-N 3.12Å; S544-T546 PolarHBondContact OG-OG1 2.78Å; T546-V601 WeakPolarHBondContact O-CA 3.29Å; T546-V601 WeakPolarHBondContact O-CB 3.4Å; T546-T602 PolarHBondContact O-N 3.3Å; T546-T602 VanDerWaalsContact O-N 3.15Å
547K94.1Very high91.4Very high55 Ų5555 Ų5524%0.23931%0.305CS..BIsolated β-bridgetrans-89.5155178.3-69.9-175.4172.3-165.20111.7S544 R592 T602 T604S544-K547 PolarHBondContact O-N 3.24Å; K547-R592 PolarHBondContact O-NH1 2.7Å; K547-R592 PolarHBondContact O-NH2 2.69Å; K547-T602 CarbonylContact C-O 3.48Å; K547-T602 WeakPolarHBondContact CA-O 3.34Å; K547-T604 PolarHBondContact NZ-O 2.62Å
548E93.6Very high90.8Very high53 Ų5358.2 Ų58.225%0.24832%0.32CS..SBendtrans-59.7157.8171.572.3177.2147.900111.7V601 T602 S603 T604 H634E548-V601 HydrophobicContact CB-CG2 4.06Å; E548-T602 PolarHBondContact N-O 3.45Å; E548-S603 VanDerWaalsContact OE1-CA 3.31Å; E548-S603 WeakPolarHBondContact OE1-CA 3.49Å; E548-T604 PolarHBondContact OE1-N 3.42Å; E548-H634 IonicContact OE1-NE2 2.84Å; E548-H634 IonicContact OE2-CD2 2.68Å; E548-H634 PolarHBondContact OE2-CD2 2.89Å; E548-H634 IonicContact OE2-NE2 3.39Å; E548-H634 PolarHBondContact OE2-NE2 2.62Å
549G89Confident90.5Very high71 Ų7157.9 Ų57.973%0.73232%0.317SS*.  trans74.931.4174.300000114.8E551G549-E551 PolarHBondContact O-N 2.96Å
550L92.2Very high90.3Very high5 Ų561.5 Ų61.53%0.02632%0.315CS..  trans-66.2105.3175.6-178.765.1000110.7Y493 L512 V543 V545 L552 N591 R592Y493-L550 HydrophobicContact CD1-CD1 3.78Å; Y493-L550 HydrophobicContact CE1-CD1 3.67Å; L512-L550 HydrophobicContact CD1-CD2 3.75Å; V543-L550 HydrophobicContact CG1-CD1 4.02Å; V545-L550 HydrophobicContact CB-CD2 4.27Å; V545-L550 HydrophobicContact CG1-CD1 4.25Å; V545-L550 HydrophobicContact CG1-CD2 4.35Å; L550-L552 HydrophobicContact CD2-CD2 4.03Å; L550-L552 HydrophobicContact CG-CD2 4Å; L550-L552 HydrophobicContact CG-CG 4.36Å; L550-L552 PolarHBondContact O-N 3.21Å; L550-N591 PolarHBondContact O-ND2 2.82Å; L550-R592 VanDerWaalsContact CB-CZ 3.48Å; L550-R592 HydrophobicContact CD2-CB 3.92Å
551E88.3Confident90.1Very high107 Ų10762.4 Ų62.450%0.532%0.319SS..  trans-80.7114.5173.7-166.5-179.817200109.7Y493 G549Y493-E551 PolarHBondContact OH-O 2.7Å; G549-E551 PolarHBondContact O-N 2.96Å
552L88.2Confident89.7Confident7 Ų760.7 Ų60.74%0.03731%0.307CS..  trans-98.9148.6172.2-61.1179.4000109.5R511 L512 L517 L550 E554R511-L552 HydrophobicContact CB-CD1 4.27Å; R511-L552 HydrophobicContact CG-CD1 3.56Å; L512-L552 HydrophobicContact CD1-CD2 4.14Å; L512-L552 HydrophobicContact CD2-CD2 4.26Å; L512-L552 HydrophobicContact CG-CD2 3.79Å; L517-L552 HydrophobicContact CD1-CD2 4.1Å; L550-L552 HydrophobicContact CD2-CD2 4.03Å; L550-L552 HydrophobicContact CG-CD2 4Å; L550-L552 HydrophobicContact CG-CG 4.36Å; L550-L552 PolarHBondContact O-N 3.21Å; L552-E554 HydrophobicContact CB-CG 4.21Å; L552-E554 PolarHBondContact O-N 3.03Å
553P84.8Confident89.4Confident29 Ų2964.6 Ų64.619%0.18833%0.325CS..  trans-67.993.4171.7-15.430.8000110.3N488 L517N488-P553 HydrophobicContact CB-CB 4.38Å; N488-P553 WeakPolarHBondContact ND2-CB 3.46Å; L517-P553 HydrophobicContact CD1-CG 4.26Å; L517-P553 HydrophobicContact CD2-CG 4.26Å
554E80.9Confident89.2Confident49 Ų4968.1 Ų68.123%0.22934%0.339CS..  trans-108.2144.7-179.2-65.9170-170.200110.5L552 E558 K559 N591L552-E554 HydrophobicContact CB-CG 4.21Å; L552-E554 PolarHBondContact O-N 3.03Å; E554-E558 HydrophobicContact CB-CB 4.31Å; E554-K559 HydrophobicContact CB-CG 4.09Å; E554-N591 PolarHBondContact OE1-ND2 3.42Å
555D80.2Confident89.1Confident84 Ų8470.4 Ų70.445%0.44935%0.348SS..  trans-79.6170.817071.835.9000112.3E557 E558 K559D555-E557 VanDerWaalsContact C-N 3.25Å; D555-E557 PolarHBondContact O-N 3.33Å; D555-E557 WeakPolarHBondContact OD1-CA 3.19Å; D555-E557 WeakPolarHBondContact OD1-CB 3.42Å; D555-E557 PolarHBondContact OD1-N 3.4Å; D555-E558 PolarHBondContact O-N 3.09Å; D555-E558 WeakPolarHBondContact OD1-CG 3.4Å; D555-E558 PolarHBondContact OD1-N 2.94Å; D555-K559 WeakPolarHBondContact O-CG 3.49Å; D555-K559 PolarHBondContact O-N 3.24Å; D555-K559 VanDerWaalsContact O-N 3.09Å
556E84.8Confident89Confident177 Ų17774.5 Ų74.583%0.82737%0.366SS*.Hα-helixtrans-64.8-28.1-179.5-71.6-169.9162.400113.2K560E556-K560 WeakPolarHBondContact O-CB 3.42Å; E556-K560 PolarHBondContact O-N 3.31Å; E556-K560 VanDerWaalsContact O-N 3.08Å
557E88Confident88.9Confident117 Ų11778.4 Ų78.455%0.54739%0.39SS..Hα-helixtrans-74.4-42.3179.9-163.7-169.5146.500111D555 K560 K561D555-E557 VanDerWaalsContact C-N 3.25Å; D555-E557 PolarHBondContact O-N 3.33Å; D555-E557 WeakPolarHBondContact OD1-CA 3.19Å; D555-E557 WeakPolarHBondContact OD1-CB 3.42Å; D555-E557 PolarHBondContact OD1-N 3.4Å; E557-K560 PolarHBondContact O-N 3.29Å; E557-K561 WeakPolarHBondContact O-CG 3.49Å; E557-K561 PolarHBondContact O-N 3.32Å; E557-K561 WeakPolarHBondContact OE1-CE 3.25Å; E557-K561 IonicContact OE1-NZ 2.64Å; E557-K561 PolarHBondContact OE1-NZ 2.94Å
558E84.5Confident88.9Confident74 Ų7480.6 Ų80.635%0.34640%0.399SS..Hα-helixtrans-62.3-44.7173.9-72.4-173.5152.300111.3H515 E554 D555 K560 K561 Q562H515-E558 IonicContact NE2-OE1 2.62Å; H515-E558 IonicContact NE2-OE2 2.74Å; E554-E558 HydrophobicContact CB-CB 4.31Å; D555-E558 PolarHBondContact O-N 3.09Å; D555-E558 WeakPolarHBondContact OD1-CG 3.4Å; D555-E558 PolarHBondContact OD1-N 2.94Å; E558-K560 VanDerWaalsContact C-N 3.31Å; E558-K560 PolarHBondContact O-N 2.91Å; E558-K561 PolarHBondContact O-N 3.31Å; E558-Q562 WeakPolarHBondContact O-CB 3.35Å; E558-Q562 PolarHBondContact O-N 3.49Å
559K85.5Confident88.9Confident107 Ų10778.2 Ų78.247%0.46539%0.388SS..Hα-helixtrans-57.9-44.5174.1-75.3178.9-178.9-178.60111.8E554 D555 Q562 E563E554-K559 HydrophobicContact CB-CG 4.09Å; D555-K559 WeakPolarHBondContact O-CG 3.49Å; D555-K559 PolarHBondContact O-N 3.24Å; D555-K559 VanDerWaalsContact O-N 3.09Å; K559-Q562 PolarHBondContact O-N 2.9Å; K559-E563 PolarHBondContact O-N 3.25Å
560K90.7Very high89.2Confident138 Ų13879.4 Ų79.460%0.637%0.374SS*.Hα-helixtrans-63.6-45.4177.8-172.6-179.7174.7-174.40112E556 E557 E558 Q562 E563 E564E556-K560 WeakPolarHBondContact O-CB 3.42Å; E556-K560 PolarHBondContact O-N 3.31Å; E556-K560 VanDerWaalsContact O-N 3.08Å; E557-K560 PolarHBondContact O-N 3.29Å; E558-K560 VanDerWaalsContact C-N 3.31Å; E558-K560 PolarHBondContact O-N 2.91Å; K560-Q562 PolarHBondContact O-N 3.16Å; K560-E563 PolarHBondContact O-N 3.42Å; K560-E564 WeakPolarHBondContact O-CG 3.31Å; K560-E564 PolarHBondContact O-N 3.18Å
561K90Very high89.2Confident96 Ų9683.1 Ų83.142%0.41739%0.394SS..Hα-helixtrans-60-36.7174.7-74.2172.7-174.9161.90111.8E557 E558 E564 K565E557-K561 WeakPolarHBondContact O-CG 3.49Å; E557-K561 PolarHBondContact O-N 3.32Å; E557-K561 WeakPolarHBondContact OE1-CE 3.25Å; E557-K561 IonicContact OE1-NZ 2.64Å; E557-K561 PolarHBondContact OE1-NZ 2.94Å; E558-K561 PolarHBondContact O-N 3.31Å; K561-E564 PolarHBondContact O-N 3.46Å; K561-K565 VanDerWaalsContact O-CG 3.29Å; K561-K565 WeakPolarHBondContact O-CG 3.5Å; K561-K565 PolarHBondContact O-N 3.18Å
562Q87Confident89.5Confident25 Ų2578.1 Ų78.112%0.11737%0.371CS..Hα-helixtrans-68.6-39.6178.3-168.364.26.500111.9E558 K559 K560 K565 K566 S590E558-Q562 WeakPolarHBondContact O-CB 3.35Å; E558-Q562 PolarHBondContact O-N 3.49Å; K559-Q562 PolarHBondContact O-N 2.9Å; K560-Q562 PolarHBondContact O-N 3.16Å; Q562-K565 PolarHBondContact O-N 3.11Å; Q562-K566 WeakPolarHBondContact O-CG 3.25Å; Q562-K566 PolarHBondContact O-N 3.45Å; Q562-S590 VanDerWaalsContact NE2-C 3.28Å; Q562-S590 PolarHBondContact NE2-O 3.23Å
563E90.6Very high89.8Confident103 Ų10378.4 Ų78.448%0.48137%0.373SS..Hα-helixtrans-64.6-42.2172.8-69.7-55.6133.800112.2K559 K560 K565 K566 T567K559-E563 PolarHBondContact O-N 3.25Å; K560-E563 PolarHBondContact O-N 3.42Å; E563-K565 VanDerWaalsContact C-N 3.31Å; E563-K565 PolarHBondContact O-N 2.8Å; E563-K566 WeakPolarHBondContact O-CB 3.48Å; E563-K566 PolarHBondContact O-N 3.09Å; E563-K566 VanDerWaalsContact O-N 3.16Å; E563-K566 IonicContact OE1-NZ 3.72Å; E563-K566 PolarHBondContact OE1-NZ 3.2Å; E563-T567 PolarHBondContact O-N 2.89Å; E563-T567 PolarHBondContact O-OG1 2.96Å
564E93.2Very high90.3Very high112 Ų11282.2 Ų82.252%0.52339%0.387SS..Hα-helixtrans-59.7-41.9174.4-71.3172.9-17300111.8K560 K561 T567 K568K560-E564 WeakPolarHBondContact O-CG 3.31Å; K560-E564 PolarHBondContact O-N 3.18Å; K561-E564 PolarHBondContact O-N 3.46Å; E564-T567 PolarHBondContact O-N 2.61Å; E564-K568 WeakPolarHBondContact O-CB 3.42Å; E564-K568 PolarHBondContact O-N 3.5Å
565K93.3Very high90.8Very high54 Ų5480.8 Ų80.824%0.23538%0.381CS..Hα-helixtrans-65.3-41.7174.4-72.4172.5179.2-169.40111.8K561 Q562 E563 T567 K568 F569 V589 P639 D640K561-K565 VanDerWaalsContact O-CG 3.29Å; K561-K565 WeakPolarHBondContact O-CG 3.5Å; K561-K565 PolarHBondContact O-N 3.18Å; Q562-K565 PolarHBondContact O-N 3.11Å; E563-K565 VanDerWaalsContact C-N 3.31Å; E563-K565 PolarHBondContact O-N 2.8Å; K565-T567 VanDerWaalsContact C-N 3.34Å; K565-T567 PolarHBondContact O-N 3.1Å; K565-K568 PolarHBondContact O-N 2.93Å; K565-F569 WeakPolarHBondContact O-CD2 3.25Å; K565-F569 PolarHBondContact O-N 3.06Å; K565-V589 HydrophobicContact CB-CG1 4.41Å; K565-P639 HydrophobicContact CB-CB 4.18Å; K565-P639 HydrophobicContact CB-CG 4.17Å; K565-P639 HydrophobicContact CD-CB 4.19Å; K565-P639 HydrophobicContact CD-CG 3.67Å; K565-P639 HydrophobicContact CG-CB 4.32Å; K565-P639 HydrophobicContact CG-CG 4.28Å; K565-D640 VanDerWaalsContact CE-OD1 3.24Å; K565-D640 WeakPolarHBondContact CE-OD1 3.21Å; K565-D640 IonicContact NZ-OD1 2.74Å; K565-D640 PolarHBondContact NZ-OD1 2.93Å; K565-D640 IonicContact NZ-OD2 3.71Å; K565-D640 PolarHBondContact NZ-OD2 2.9Å
566K93.6Very high91.5Very high86 Ų8676.8 Ų76.837%0.37436%0.359SS..Hα-helixtrans-56.6-47.8174.5-76.6173-174.3173.50111.4Q562 E563 F569 E570 V589Q562-K566 WeakPolarHBondContact O-CG 3.25Å; Q562-K566 PolarHBondContact O-N 3.45Å; E563-K566 WeakPolarHBondContact O-CB 3.48Å; E563-K566 PolarHBondContact O-N 3.09Å; E563-K566 VanDerWaalsContact O-N 3.16Å; E563-K566 IonicContact OE1-NZ 3.72Å; E563-K566 PolarHBondContact OE1-NZ 3.2Å; K566-F569 PolarHBondContact O-N 3.44Å; K566-E570 PolarHBondContact O-N 3.35Å; K566-V589 HydrophobicContact CG-CB 4Å; K566-V589 HydrophobicContact CG-CG1 4.5Å; K566-V589 HydrophobicContact CG-CG2 4.47Å
567T93.6Very high92Very high98 Ų9871.2 Ų71.260%0.60133%0.332SS*.Hα-helixtrans-62.6-45.4177-54.50000111.7E563 E564 K565 F569 E570E563-T567 PolarHBondContact O-N 2.89Å; E563-T567 PolarHBondContact O-OG1 2.96Å; E564-T567 PolarHBondContact O-N 2.61Å; K565-T567 VanDerWaalsContact C-N 3.34Å; K565-T567 PolarHBondContact O-N 3.1Å; T567-F569 VanDerWaalsContact C-N 3.28Å; T567-F569 PolarHBondContact O-N 2.89Å; T567-E570 PolarHBondContact O-N 3.08Å
568K94Very high92.2Very high101 Ų10171.5 Ų71.544%0.43934%0.337SS..Hα-helixtrans-59.3-36.9-179.8-176.8-178.5170.8-162.50112.9E564 K565 E645E564-K568 WeakPolarHBondContact O-CB 3.42Å; E564-K568 PolarHBondContact O-N 3.5Å; K565-K568 PolarHBondContact O-N 2.93Å; K568-E645 WeakPolarHBondContact CE-OE2 3.45Å; K568-E645 IonicContact NZ-OE1 2.7Å; K568-E645 IonicContact NZ-OE2 2.65Å; K568-E645 PolarHBondContact NZ-OE2 3.3Å
569F95.3Very high92.6Very high2 Ų269.8 Ų69.81%0.00933%0.33CS..Hα-helixtrans-102.44.5-176-71.7-88.5000114K565 K566 T567 N571 L572 C573 V589 I637 P639 I644 E645 R648K565-F569 WeakPolarHBondContact O-CD2 3.25Å; K565-F569 PolarHBondContact O-N 3.06Å; K566-F569 PolarHBondContact O-N 3.44Å; T567-F569 VanDerWaalsContact C-N 3.28Å; T567-F569 PolarHBondContact O-N 2.89Å; F569-N571 VanDerWaalsContact C-N 3.31Å; F569-N571 PolarHBondContact O-N 3.43Å; F569-L572 HydrophobicContact CD1-CD2 3.89Å; F569-L572 HydrophobicContact CE1-CD2 4.43Å; F569-L572 PolarHBondContact O-N 2.8Å; F569-L572 VanDerWaalsContact O-N 3.12Å; F569-C573 PolarHBondContact O-N 2.77Å; F569-C573 PolarHBondContact O-SG 2.91Å; F569-V589 HydrophobicContact CB-CG2 3.78Å; F569-I637 HydrophobicContact CB-CD1 4.3Å; F569-P639 HydrophobicContact CD2-CB 3.61Å; F569-P639 HydrophobicContact CE2-CB 3.38Å; F569-P639 HydrophobicContact CG-CB 4.39Å; F569-P639 HydrophobicContact CZ-CB 4Å; F569-P639 VanDerWaalsContact CZ-O 3.27Å; F569-P639 WeakPolarHBondContact CZ-O 3.24Å; F569-I644 HydrophobicContact CD1-CG2 4.02Å; F569-I644 HydrophobicContact CE1-CG2 3.74Å; F569-E645 WeakPolarHBondContact CZ-OE2 3.38Å; F569-R648 HydrophobicContact CD1-CB 4.11Å; F569-R648 HydrophobicContact CD1-CG 4.14Å; F569-R648 HydrophobicContact CE1-CB 3.88Å; F569-R648 HydrophobicContact CE1-CG 4.22Å
570E93.9Very high92.9Very high97 Ų9764.7 Ų64.745%0.45331%0.308SS..Hα-helixtrans-56.1-44.2-176.6-169.5-170.6156.500112.3K566 T567 C573 K574K566-E570 PolarHBondContact O-N 3.35Å; T567-E570 PolarHBondContact O-N 3.08Å; E570-C573 PolarHBondContact O-N 3.13Å; E570-K574 WeakPolarHBondContact O-CG 3.27Å; E570-K574 PolarHBondContact O-N 3.03Å; E570-K574 VanDerWaalsContact O-N 3.12Å; E570-K574 VanDerWaalsContact OE1-CE 3.31Å; E570-K574 WeakPolarHBondContact OE1-CE 3.49Å; E570-K574 IonicContact OE1-NZ 3.48Å; E570-K574 PolarHBondContact OE1-NZ 3.33Å
571N93.1Very high92.6Very high82 Ų8264.7 Ų64.744%0.43931%0.311SS..Hα-helixtrans-67-40179.3-169.345.9000112.1F569 C573 K574 I575F569-N571 VanDerWaalsContact C-N 3.31Å; F569-N571 PolarHBondContact O-N 3.43Å; N571-C573 VanDerWaalsContact C-N 3.35Å; N571-C573 PolarHBondContact O-N 3.27Å; N571-K574 PolarHBondContact O-N 3.04Å; N571-I575 WeakPolarHBondContact O-CG1 3.5Å; N571-I575 PolarHBondContact O-N 3.24Å
572L94.5Very high92.4Very high2 Ų269.9 Ų69.91%0.0133%0.333CS..Hα-helixtrans-61.8-44.3175178.165000110.8F569 K574 I575 M576 I637 I644 L647 R648 A651F569-L572 HydrophobicContact CD1-CD2 3.89Å; F569-L572 HydrophobicContact CE1-CD2 4.43Å; F569-L572 PolarHBondContact O-N 2.8Å; F569-L572 VanDerWaalsContact O-N 3.12Å; L572-K574 VanDerWaalsContact C-N 3.3Å; L572-K574 PolarHBondContact O-N 2.65Å; L572-I575 PolarHBondContact O-N 3.04Å; L572-M576 HydrophobicContact CD1-CG 4.08Å; L572-M576 HydrophobicContact CD1-SD 4.21Å; L572-M576 HydrophobicContact CD2-SD 4.3Å; L572-M576 HydrophobicContact CG-CG 4.25Å; L572-M576 HydrophobicContact CG-SD 3.92Å; L572-M576 WeakPolarHBondContact O-CB 3.35Å; L572-M576 VanDerWaalsContact O-CG 3.31Å; L572-M576 WeakPolarHBondContact O-CG 3.46Å; L572-M576 PolarHBondContact O-N 2.86Å; L572-I637 HydrophobicContact CD2-CD1 4.23Å; L572-I644 HydrophobicContact CD2-CG2 3.96Å; L572-L647 HydrophobicContact CD1-CB 4.19Å; L572-L647 HydrophobicContact CD2-CB 4.3Å; L572-R648 HydrophobicContact CB-CG 4.41Å; L572-R648 HydrophobicContact CD2-CB 4.07Å; L572-A651 HydrophobicContact CD1-CB 4.04Å
573C95Very high92.5Very high13 Ų1372.3 Ų72.39%0.08834%0.343CS..Hα-helixtrans-57.7-42.2176.7-70.10000112.1F569 E570 N571 M576 K577 V587 I637F569-C573 PolarHBondContact O-N 2.77Å; F569-C573 PolarHBondContact O-SG 2.91Å; E570-C573 PolarHBondContact O-N 3.13Å; N571-C573 VanDerWaalsContact C-N 3.35Å; N571-C573 PolarHBondContact O-N 3.27Å; C573-M576 PolarHBondContact O-N 3.25Å; C573-K577 VanDerWaalsContact O-CB 3.31Å; C573-K577 WeakPolarHBondContact O-CB 3.48Å; C573-K577 PolarHBondContact O-N 3.44Å; C573-V587 HydrophobicContact CB-CB 4.25Å; C573-V587 HydrophobicContact CB-CG1 4.12Å; C573-I637 VanDerWaalsContact SG-CD1 3.55Å
574K94Very high92.6Very high110 Ų11067.7 Ų67.748%0.47832%0.322SS..Hα-helixtrans-62.2-48.9175.7-70.8174.5-173.6167.20111.5E570 N571 L572 M576 K577 D578E570-K574 WeakPolarHBondContact O-CG 3.27Å; E570-K574 PolarHBondContact O-N 3.03Å; E570-K574 VanDerWaalsContact O-N 3.12Å; E570-K574 VanDerWaalsContact OE1-CE 3.31Å; E570-K574 WeakPolarHBondContact OE1-CE 3.49Å; E570-K574 IonicContact OE1-NZ 3.48Å; E570-K574 PolarHBondContact OE1-NZ 3.33Å; N571-K574 PolarHBondContact O-N 3.04Å; L572-K574 VanDerWaalsContact C-N 3.3Å; L572-K574 PolarHBondContact O-N 2.65Å; K574-M576 VanDerWaalsContact C-N 3.35Å; K574-M576 PolarHBondContact O-N 2.92Å; K574-K577 WeakPolarHBondContact O-CB 3.27Å; K574-K577 PolarHBondContact O-N 2.96Å; K574-K577 VanDerWaalsContact O-N 3.12Å; K574-D578 VanDerWaalsContact O-CG 3.3Å; K574-D578 PolarHBondContact O-N 3.42Å
575I92.6Very high92.6Very high19 Ų1965.7 Ų65.710%0.09731%0.313CS..Hα-helixtrans-60.1-44.5178.4-66.9168.9000111.3N571 L572 K577 D578 I579 A651 K655N571-I575 WeakPolarHBondContact O-CG1 3.5Å; N571-I575 PolarHBondContact O-N 3.24Å; L572-I575 PolarHBondContact O-N 3.04Å; I575-K577 VanDerWaalsContact C-N 3.33Å; I575-K577 PolarHBondContact O-N 2.9Å; I575-D578 PolarHBondContact O-N 2.76Å; I575-I579 HydrophobicContact CG2-CD1 3.87Å; I575-I579 VanDerWaalsContact O-CG1 3.32Å; I575-I579 WeakPolarHBondContact O-CG1 3.26Å; I575-I579 PolarHBondContact O-N 3.25Å; I575-A651 HydrophobicContact CD1-CB 3.77Å; I575-K655 HydrophobicContact CD1-CB 4.2Å
576M94.6Very high92.6Very high0 Ų067.9 Ų67.90%032%0.322CS..Hα-helixtrans-64.1-38.9176.5-69.6-179.679.300111.9L572 C573 K574 D578 I579 L580 V587 L635 I637 V664L572-M576 HydrophobicContact CD1-CG 4.08Å; L572-M576 HydrophobicContact CD1-SD 4.21Å; L572-M576 HydrophobicContact CD2-SD 4.3Å; L572-M576 HydrophobicContact CG-CG 4.25Å; L572-M576 HydrophobicContact CG-SD 3.92Å; L572-M576 WeakPolarHBondContact O-CB 3.35Å; L572-M576 VanDerWaalsContact O-CG 3.31Å; L572-M576 WeakPolarHBondContact O-CG 3.46Å; L572-M576 PolarHBondContact O-N 2.86Å; C573-M576 PolarHBondContact O-N 3.25Å; K574-M576 VanDerWaalsContact C-N 3.35Å; K574-M576 PolarHBondContact O-N 2.92Å; M576-D578 VanDerWaalsContact C-N 3.34Å; M576-I579 PolarHBondContact O-N 3.37Å; M576-L580 VanDerWaalsContact O-CB 3.28Å; M576-L580 WeakPolarHBondContact O-CB 3.28Å; M576-L580 VanDerWaalsContact O-CG 3.25Å; M576-L580 WeakPolarHBondContact O-CG 3.41Å; M576-L580 PolarHBondContact O-N 3.06Å; M576-V587 HydrophobicContact CB-CG1 4.08Å; M576-V587 HydrophobicContact CB-CG2 4.15Å; M576-V587 HydrophobicContact SD-CG1 4.29Å; M576-L635 HydrophobicContact CE-CD2 3.46Å; M576-L635 VanDerWaalsContact CE-CD2 3.46Å; M576-I637 HydrophobicContact CE-CG2 4.05Å; M576-I637 HydrophobicContact SD-CG2 4.03Å; M576-V664 HydrophobicContact CB-CG1 4.26Å; M576-V664 HydrophobicContact CE-CG1 4.09Å; M576-V664 HydrophobicContact CE-CG2 4.42Å; M576-V664 HydrophobicContact CG-CG1 4.06Å; M576-V664 HydrophobicContact CG-CG2 4.03Å
577K94.9Very high92.7Very high60 Ų6064.4 Ų64.426%0.26131%0.308SS..Hα-helixtrans-64.2-39.6176175.355.4-175147.50111.6C573 K574 I575 L580 E581 V584 E585 V587C573-K577 VanDerWaalsContact O-CB 3.31Å; C573-K577 WeakPolarHBondContact O-CB 3.48Å; C573-K577 PolarHBondContact O-N 3.44Å; K574-K577 WeakPolarHBondContact O-CB 3.27Å; K574-K577 PolarHBondContact O-N 2.96Å; K574-K577 VanDerWaalsContact O-N 3.12Å; I575-K577 VanDerWaalsContact C-N 3.33Å; I575-K577 PolarHBondContact O-N 2.9Å; K577-L580 CarbonylContact O-C 3.38Å; K577-L580 PolarHBondContact O-N 2.94Å; K577-E581 PolarHBondContact NZ-O 3.4Å; K577-E581 VanDerWaalsContact O-CA 3.25Å; K577-E581 WeakPolarHBondContact O-CA 3.16Å; K577-E581 PolarHBondContact O-N 2.94Å; K577-V584 HydrophobicContact CD-CG2 4.2Å; K577-V584 PolarHBondContact NZ-O 3.35Å; K577-E585 WeakPolarHBondContact CE-O 3.34Å; K577-E585 PolarHBondContact NZ-O 3Å; K577-V587 HydrophobicContact CB-CB 4.44Å; K577-V587 HydrophobicContact CB-CG2 3.85Å
578D92.9Very high92.8Very high122 Ų12262.6 Ų62.665%0.65230%0.297SS*.Hα-helixtrans-66.9-41.5176.3-64.7-16.2000111.4K574 I575 M576 L580K574-D578 VanDerWaalsContact O-CG 3.3Å; K574-D578 PolarHBondContact O-N 3.42Å; I575-D578 PolarHBondContact O-N 2.76Å; M576-D578 VanDerWaalsContact C-N 3.34Å; D578-L580 VanDerWaalsContact C-N 3.29Å; D578-L580 PolarHBondContact O-N 3.11Å
579I92.3Very high92.8Very high38 Ų3858.5 Ų58.520%0.19528%0.28CS..Hα-helixtrans-63.4-36.6175.2-69162.2000111.6I575 M576 K661 V664 I665I575-I579 HydrophobicContact CG2-CD1 3.87Å; I575-I579 VanDerWaalsContact O-CG1 3.32Å; I575-I579 WeakPolarHBondContact O-CG1 3.26Å; I575-I579 PolarHBondContact O-N 3.25Å; M576-I579 PolarHBondContact O-N 3.37Å; I579-K661 HydrophobicContact CG1-CG 4.28Å; I579-K661 HydrophobicContact CG2-CG 3.87Å; I579-V664 HydrophobicContact CB-CG1 4.16Å; I579-V664 HydrophobicContact CD1-CB 4.15Å; I579-V664 HydrophobicContact CD1-CG1 4.2Å; I579-V664 HydrophobicContact CD1-CG2 4.09Å; I579-V664 HydrophobicContact CG2-CB 4.2Å; I579-V664 HydrophobicContact CG2-CG1 3.79Å; I579-I665 HydrophobicContact CG2-CD1 4.44Å; I579-I665 HydrophobicContact CG2-CG1 3.96Å
580L92.4Very high92.6Very high1 Ų158.6 Ų58.61%0.00528%0.281CS..THydrogen-bonded Turntrans-102.923.2-174.7-59.5174.2000112.9M576 K577 D578 K582 K583 V584 L635 V664 I665 Y668M576-L580 VanDerWaalsContact O-CB 3.28Å; M576-L580 WeakPolarHBondContact O-CB 3.28Å; M576-L580 VanDerWaalsContact O-CG 3.25Å; M576-L580 WeakPolarHBondContact O-CG 3.41Å; M576-L580 PolarHBondContact O-N 3.06Å; K577-L580 CarbonylContact O-C 3.38Å; K577-L580 PolarHBondContact O-N 2.94Å; D578-L580 VanDerWaalsContact C-N 3.29Å; D578-L580 PolarHBondContact O-N 3.11Å; L580-K582 PolarHBondContact O-N 3.22Å; L580-K582 VanDerWaalsContact O-N 3.08Å; L580-K583 HydrophobicContact CB-CB 4.35Å; L580-K583 HydrophobicContact CD2-CD 4.32Å; L580-K583 WeakPolarHBondContact O-CA 3.26Å; L580-K583 WeakPolarHBondContact O-CB 2.94Å; L580-K583 PolarHBondContact O-N 3.04Å; L580-V584 HydrophobicContact CB-CG2 3.73Å; L580-V584 HydrophobicContact CD1-CG2 4.22Å; L580-V584 PolarHBondContact O-N 3.43Å; L580-L635 HydrophobicContact CD1-CD2 3.72Å; L580-V664 HydrophobicContact CD1-CG1 4.11Å; L580-V664 HydrophobicContact CD2-CG1 4.34Å; L580-V664 HydrophobicContact CG-CG1 4.06Å; L580-I665 HydrophobicContact CD2-CG1 4.46Å; L580-Y668 HydrophobicContact CD1-CD2 3.95Å; L580-Y668 HydrophobicContact CD1-CG 4.04Å; L580-Y668 HydrophobicContact CD2-CD1 4.01Å; L580-Y668 HydrophobicContact CD2-CD2 4.34Å; L580-Y668 HydrophobicContact CD2-CG 3.74Å
581E83.8Confident92.3Very high138 Ų13855.7 Ų55.765%0.64527%0.269SS*.THydrogen-bonded Turntrans-40.8-54.9-164.3-172.2-179.2-167.800114.8K577K577-E581 PolarHBondContact NZ-O 3.4Å; K577-E581 VanDerWaalsContact O-CA 3.25Å; K577-E581 WeakPolarHBondContact O-CA 3.16Å; K577-E581 PolarHBondContact O-N 2.94Å
582K86.5Confident92.2Very high205 Ų20551.8 Ų51.889%0.89125%0.248SC*.THydrogen-bonded Turntrans-87.5-4.8-178.3-62-173.2179.7-177.90114.5L580L580-K582 PolarHBondContact O-N 3.22Å; L580-K582 VanDerWaalsContact O-N 3.08Å
583K89Confident92.2Very high75 Ų7551.8 Ų51.833%0.32625%0.248SC..THydrogen-bonded Turntrans-98.9-34.5-171.7-65.7-171.3169.4-161.50113.3L580 Y668 E669L580-K583 HydrophobicContact CB-CB 4.35Å; L580-K583 HydrophobicContact CD2-CD 4.32Å; L580-K583 WeakPolarHBondContact O-CA 3.26Å; L580-K583 WeakPolarHBondContact O-CB 2.94Å; L580-K583 PolarHBondContact O-N 3.04Å; K583-Y668 HydrophobicContact CB-CE1 3.85Å; K583-Y668 HydrophobicContact CB-CE2 4.4Å; K583-Y668 HydrophobicContact CD-CD1 4.01Å; K583-Y668 HydrophobicContact CD-CE1 3.63Å; K583-Y668 HydrophobicContact CG-CE1 4.23Å; K583-Y668 PolarHBondContact O-OH 2.81Å; K583-Y668 VanDerWaalsContact O-OH 3.12Å; K583-E669 IonicContact NZ-OE1 3.43Å
584V92.8Very high92.1Very high6 Ų653.3 Ų53.34%0.03626%0.256CS..  trans-130.6149.8178.2-62.10000110.9K577 L580 V587 I600 K633 L635 Y668K577-V584 HydrophobicContact CD-CG2 4.2Å; K577-V584 PolarHBondContact NZ-O 3.35Å; L580-V584 HydrophobicContact CB-CG2 3.73Å; L580-V584 HydrophobicContact CD1-CG2 4.22Å; L580-V584 PolarHBondContact O-N 3.43Å; V584-V587 HydrophobicContact CG2-CG2 3.9Å; V584-I600 HydrophobicContact CG1-CD1 4.45Å; V584-K633 CarbonylContact C-O 3.52Å; V584-K633 WeakPolarHBondContact CA-O 3.46Å; V584-L635 HydrophobicContact CG1-CB 4.25Å; V584-Y668 HydrophobicContact CG1-CD2 3.75Å; V584-Y668 HydrophobicContact CG1-CE2 3.22Å
585E92.2Very high92.1Very high70 Ų7052.7 Ų52.733%0.32726%0.262SS..SBendtrans-81.9-39.7175.1-176178.9-151.700111.9K577 K632 K633 H634K577-E585 WeakPolarHBondContact CE-O 3.34Å; K577-E585 PolarHBondContact NZ-O 3Å; E585-K632 HydrophobicContact CB-CB 4.21Å; E585-K632 HydrophobicContact CB-CD 4.44Å; E585-K632 HydrophobicContact CG-CD 4.21Å; E585-K632 WeakPolarHBondContact OE1-CD 3.38Å; E585-K632 IonicContact OE1-NZ 2.82Å; E585-K632 PolarHBondContact OE1-NZ 2.96Å; E585-K632 WeakPolarHBondContact OE2-CB 3.22Å; E585-K632 WeakPolarHBondContact OE2-CD 3.35Å; E585-K632 IonicContact OE2-NZ 2.67Å; E585-K633 PolarHBondContact N-O 3.42Å; E585-H634 IonicContact OE2-CE1 2.69Å; E585-H634 PolarHBondContact OE2-CE1 3.07Å; E585-H634 IonicContact OE2-NE2 3.89Å
586K94.1Very high92.3Very high101 Ų10153.2 Ų53.244%0.43927%0.267SS..EExtended strand (participates in β ladder)trans-140.2151.5179.9-56.1175.3-172.5159.10110.8V588 H634 L635K586-V588 HydrophobicContact CB-CG1 4.27Å; K586-H634 HydrophobicContact CB-CB 4.44Å; K586-H634 WeakPolarHBondContact CB-ND1 3.03Å; K586-H634 PolarHBondContact N-ND1 3.4Å; K586-H634 CarbonylContact O-C 3.6Å; K586-H634 WeakPolarHBondContact O-CA 3.28Å; K586-L635 PolarHBondContact O-N 3.38Å
587V96.2Very high92.3Very high13 Ų1354.6 Ų54.68%0.07928%0.276CS..EExtended strand (participates in β ladder)trans-119.1123.2166-174.60000107.5C573 M576 K577 V584 L635 I637C573-V587 HydrophobicContact CB-CB 4.25Å; C573-V587 HydrophobicContact CB-CG1 4.12Å; M576-V587 HydrophobicContact CB-CG1 4.08Å; M576-V587 HydrophobicContact CB-CG2 4.15Å; M576-V587 HydrophobicContact SD-CG1 4.29Å; K577-V587 HydrophobicContact CB-CB 4.44Å; K577-V587 HydrophobicContact CB-CG2 3.85Å; V584-V587 HydrophobicContact CG2-CG2 3.9Å; V587-L635 CarbonylContact C-O 3.56Å; V587-L635 VanDerWaalsContact CA-O 3.29Å; V587-L635 WeakPolarHBondContact CA-O 3.12Å; V587-L635 HydrophobicContact CG1-CB 4.32Å; V587-L635 HydrophobicContact CG1-CD2 4.13Å; V587-L635 HydrophobicContact CG1-CG 4.35Å; V587-L635 HydrophobicContact CG2-CB 4.17Å; V587-L635 HydrophobicContact CG2-CD2 4.31Å; V587-I637 HydrophobicContact CG1-CG2 4.12Å
588V95.1Very high92.4Very high60 Ų6052 Ų5236%0.36427%0.266SS..EExtended strand (participates in β ladder)trans-138.3155.5-174.2-59.90000111.5K586 S590 L635 E636 I637K586-V588 HydrophobicContact CB-CG1 4.27Å; V588-S590 PolarHBondContact O-N 2.94Å; V588-L635 PolarHBondContact N-O 3.39Å; V588-E636 HydrophobicContact CG2-CG 3.73Å; V588-E636 CarbonylContact O-C 3.55Å; V588-E636 WeakPolarHBondContact O-CA 3.17Å; V588-I637 PolarHBondContact O-N 3.03Å
589V94.8Very high92.6Very high14 Ų1446.2 Ų46.29%0.08524%0.235CC..EExtended strand (participates in β ladder)trans-74.6125173.6176.60000109.2K565 K566 F569 I637 P639K565-V589 HydrophobicContact CB-CG1 4.41Å; K566-V589 HydrophobicContact CG-CB 4Å; K566-V589 HydrophobicContact CG-CG1 4.5Å; K566-V589 HydrophobicContact CG-CG2 4.47Å; F569-V589 HydrophobicContact CB-CG2 3.78Å; V589-I637 HydrophobicContact CG2-CD1 4.28Å; V589-I637 HydrophobicContact CG2-CG1 4.18Å; V589-P639 HydrophobicContact CG1-CB 4.08Å; V589-P639 HydrophobicContact CG1-CG 3.64Å
590S90.9Very high92.8Very high5 Ų544.5 Ų44.54%0.03523%0.226CC..  trans-78.6144.4-178.9-168.60000112.1Q562 V588 R592 L593 E636 I637Q562-S590 VanDerWaalsContact NE2-C 3.28Å; Q562-S590 PolarHBondContact NE2-O 3.23Å; V588-S590 PolarHBondContact O-N 2.94Å; S590-R592 WeakPolarHBondContact OG-CG 3.25Å; S590-R592 PolarHBondContact OG-N 3.16Å; S590-L593 WeakPolarHBondContact OG-CG 3.45Å; S590-L593 PolarHBondContact OG-N 3.22Å; S590-E636 WeakPolarHBondContact CB-OE2 3.31Å; S590-E636 PolarHBondContact OG-OE2 3.41Å; S590-I637 WeakPolarHBondContact CB-O 3.39Å; S590-I637 PolarHBondContact N-O 3.08Å
591N86.3Confident93Very high35 Ų3544.4 Ų44.419%0.18723%0.226CC..SBendtrans-97.6-12.1162.665.7-19.2000112.7R511 L550 E554R511-N591 VanDerWaalsContact CG-O 3.29Å; R511-N591 WeakPolarHBondContact CG-O 3.45Å; R511-N591 PolarHBondContact NE-O 3.25Å; L550-N591 PolarHBondContact O-ND2 2.82Å; E554-N591 PolarHBondContact OE1-ND2 3.42Å
592R92.2Very high93.4Very high1 Ų138 Ų380%0.00420%0.196CC..SBendtrans-98.6-15-170.483.1-172.371.5-158.54.2115.6R511 V545 K547 L550 S590 E636R511-R592 VanDerWaalsContact CB-C 3.45Å; R511-R592 WeakPolarHBondContact CB-O 3.49Å; R511-R592 PolarHBondContact N-O 2.98Å; V545-R592 PolarHBondContact O-NH1 3.2Å; K547-R592 PolarHBondContact O-NH1 2.7Å; K547-R592 PolarHBondContact O-NH2 2.69Å; L550-R592 VanDerWaalsContact CB-CZ 3.48Å; L550-R592 HydrophobicContact CD2-CB 3.92Å; S590-R592 WeakPolarHBondContact OG-CG 3.25Å; S590-R592 PolarHBondContact OG-N 3.16Å; R592-E636 IonicContact CZ-OE1 3.33Å; R592-E636 IonicContact CZ-OE2 3.43Å; R592-E636 IonicContact NE-OE1 3.89Å; R592-E636 PolarHBondContact NE-OE1 2.88Å; R592-E636 IonicContact NE-OE2 2.73Å; R592-E636 PolarHBondContact NE-OE2 3.07Å; R592-E636 IonicContact NH2-OE1 2.72Å; R592-E636 PolarHBondContact NH2-OE1 3.25Å; R592-E636 IonicContact NH2-OE2 3.22Å
593L94Very high93.6Very high2 Ų228.9 Ų28.91%0.0116%0.158CC..  trans-85.6148.5-177.8-64-179.3000112.1A507 R511 S590 C599 E636 N638A507-L593 HydrophobicContact CB-CD2 3.76Å; R511-L593 PolarHBondContact NE-O 3.36Å; R511-L593 PolarHBondContact NH2-O 2.96Å; S590-L593 WeakPolarHBondContact OG-CG 3.45Å; S590-L593 PolarHBondContact OG-N 3.22Å; L593-C599 HydrophobicContact CD1-CB 4.38Å; L593-C599 HydrophobicContact CD2-CB 3.95Å; L593-E636 WeakPolarHBondContact CD1-O 3.31Å; L593-N638 HydrophobicContact CB-CB 3.85Å; L593-N638 HydrophobicContact CD1-CB 4.03Å
594V93.8Very high93.5Very high44 Ų4428.6 Ų28.627%0.26716%0.163SC..SBendtrans-127.5-63.8175.7-177.10000111.1E510 R511 K514 N638E510-V594 HydrophobicContact CB-CB 3.88Å; E510-V594 HydrophobicContact CB-CG2 3.73Å; E510-V594 WeakPolarHBondContact OE2-CA 3.46Å; E510-V594 WeakPolarHBondContact OE2-CB 3.39Å; E510-V594 PolarHBondContact OE2-N 3.48Å; R511-V594 HydrophobicContact CB-CG2 3.95Å; K514-V594 HydrophobicContact CD-CG1 4.36Å; K514-V594 HydrophobicContact CD-CG2 4.26Å; V594-N638 PolarHBondContact O-ND2 2.85Å
595T93.8Very high93.1Very high97 Ų9737.6 Ų37.660%0.59520%0.197SC*.SBendtrans-96.4-26.1-176.734.80000112.5E510 H641E510-T595 PolarHBondContact OE1-OG1 3.08Å; E510-T595 PolarHBondContact OE2-N 3.39Å; E510-T595 PolarHBondContact OE2-OG1 3.14Å; T595-H641 PolarHBondContact O-CD2 3.23Å; T595-H641 PolarHBondContact O-NE2 2.76Å
596S95.2Very high92.8Very high30 Ų3036.2 Ų36.221%0.2120%0.202CC..  trans-82.9140.4-177.4-60.70000111.1A507 E510 N638A507-S596 WeakPolarHBondContact CB-OG 3.44Å; E510-S596 PolarHBondContact OE1-OG 3.35Å; E510-S596 PolarHBondContact OE2-N 2.99Å; S596-N638 WeakPolarHBondContact O-CB 3.47Å; S596-N638 PolarHBondContact O-ND2 3.08Å
597P96.4Very high92.6Very high29 Ų2932.2 Ų32.219%0.18818%0.184CC..SBendtrans-71.7-35-179.425.8-33000112.9N638 H641 I644 L667P597-N638 WeakPolarHBondContact O-CB 3.45Å; P597-N638 PolarHBondContact O-N 3.35Å; P597-H641 HydrophobicContact CB-CB 4.36Å; P597-I644 HydrophobicContact CB-CD1 4.22Å; P597-I644 HydrophobicContact CB-CG1 4.11Å; P597-I644 WeakPolarHBondContact O-CD1 3.35Å; P597-I644 VanDerWaalsContact O-CG1 3.28Å; P597-I644 WeakPolarHBondContact O-CG1 3.34Å; P597-L667 HydrophobicContact CB-CD2 4.45Å; P597-L667 HydrophobicContact CG-CD2 4.1Å
598C96.6Very high92.4Very high6 Ų632 Ų324%0.04118%0.183CC..EExtended strand (participates in β ladder)trans-158.7164.7176.559.70000110.9L635 E636 I637C598-L635 HydrophobicContact CB-CD1 3.8Å; C598-L635 HydrophobicContact CB-CG 4.49Å; C598-E636 CarbonylContact C-O 3.56Å; C598-E636 WeakPolarHBondContact CA-O 3.46Å; C598-E636 WeakPolarHBondContact CB-O 3.4Å; C598-I637 HydrophobicContact CB-CG2 4.18Å
599C96.9Very high92.3Very high0 Ų029.8 Ų29.80%017%0.171CC..EExtended strand (participates in β ladder)trans-145162.1172.767.20000111.3F508 L593 E636F508-C599 HydrophobicContact CE1-CB 3.98Å; F508-C599 HydrophobicContact CZ-CB 4.17Å; L593-C599 HydrophobicContact CD1-CB 4.38Å; L593-C599 HydrophobicContact CD2-CB 3.95Å; C599-E636 PolarHBondContact N-O 2.69Å; C599-E636 PolarHBondContact O-N 3.08Å
600I96.3Very high92.2Very high2 Ų229.7 Ų29.71%0.0117%0.17CC..EExtended strand (participates in β ladder)trans-104.7115.1175.4-57.2-63.9000109.5F508 V584 K633 H634 L635 Y668 A671 L672 S675 F677F508-I600 VanDerWaalsContact CZ-O 3.31Å; F508-I600 WeakPolarHBondContact CZ-O 3.34Å; V584-I600 HydrophobicContact CG1-CD1 4.45Å; I600-K633 HydrophobicContact CG2-CB 3.84Å; I600-K633 HydrophobicContact CG2-CD 4.26Å; I600-K633 HydrophobicContact CG2-CG 4.18Å; I600-H634 CarbonylContact C-O 3.54Å; I600-H634 WeakPolarHBondContact CA-O 3.32Å; I600-L635 HydrophobicContact CD1-CB 4.13Å; I600-L635 HydrophobicContact CD1-CD1 3.51Å; I600-L635 HydrophobicContact CD1-CG 4.42Å; I600-Y668 HydrophobicContact CD1-CD2 3.67Å; I600-Y668 HydrophobicContact CD1-CE2 3.6Å; I600-Y668 HydrophobicContact CG1-CE2 4.46Å; I600-A671 HydrophobicContact CD1-CB 4.36Å; I600-A671 HydrophobicContact CG1-CB 3.95Å; I600-L672 HydrophobicContact CB-CD2 4.47Å; I600-L672 HydrophobicContact CG1-CD2 3.98Å; I600-L672 HydrophobicContact CG1-CG 4.15Å; I600-L672 HydrophobicContact CG2-CD2 4.16Å; I600-S675 PolarHBondContact N-OG 3.19Å; I600-S675 WeakPolarHBondContact O-CB 3.36Å; I600-S675 PolarHBondContact O-OG 3.03Å; I600-F677 HydrophobicContact CB-CD2 4.29Å; I600-F677 HydrophobicContact CB-CE2 3.99Å; I600-F677 HydrophobicContact CG2-CD2 4.01Å; I600-F677 HydrophobicContact CG2-CE2 3.48Å; I600-F677 VanDerWaalsContact CG2-CE2 3.48Å; I600-F677 HydrophobicContact CG2-CZ 4.15Å
601V95.7Very high92.2Very high0 Ų029.6 Ų29.60%017%0.169CC..EExtended strand (participates in β ladder)trans-97.3152.5173-63.80000110.8F508 T546 E548 H634 E636F508-V601 HydrophobicContact CD1-CG1 4.4Å; F508-V601 HydrophobicContact CE1-CG1 3.62Å; F508-V601 HydrophobicContact CZ-CG1 4.47Å; T546-V601 WeakPolarHBondContact O-CA 3.29Å; T546-V601 WeakPolarHBondContact O-CB 3.4Å; E548-V601 HydrophobicContact CB-CG2 4.06Å; V601-H634 HydrophobicContact CG2-CB 3.72Å; V601-H634 PolarHBondContact N-O 3.2Å; V601-H634 PolarHBondContact O-N 2.96Å; V601-E636 HydrophobicContact CG1-CG 4.37Å; V601-E636 HydrophobicContact CG2-CG 4.21Å
602T92.7Very high92.4Very high3 Ų328.7 Ų28.72%0.01816%0.163CC..EExtended strand (participates in β ladder)trans-87.8152.6168.749.80000111.4T546 K547 E548 W607 A631 F677T546-T602 PolarHBondContact O-N 3.3Å; T546-T602 VanDerWaalsContact O-N 3.15Å; K547-T602 CarbonylContact C-O 3.48Å; K547-T602 WeakPolarHBondContact CA-O 3.34Å; E548-T602 PolarHBondContact N-O 3.45Å; T602-W607 WeakPolarHBondContact CG2-O 3.38Å; T602-A631 HydrophobicContact CG2-CB 4.05Å; T602-F677 HydrophobicContact CG2-CE1 4.06Å; T602-F677 HydrophobicContact CG2-CZ 3.47Å; T602-F677 VanDerWaalsContact CG2-CZ 3.47Å
603S90.9Very high92.3Very high14 Ų1432 Ų3210%0.09818%0.176CC..PPolyproline II helixtrans-57.2160168520000112.1E548 Y605 K632E548-S603 VanDerWaalsContact OE1-CA 3.31Å; E548-S603 WeakPolarHBondContact OE1-CA 3.49Å; S603-Y605 PolarHBondContact O-N 3.12Å; S603-Y605 PolarHBondContact OG-O 3.17Å; S603-K632 PolarHBondContact N-O 3.07Å; S603-K632 PolarHBondContact OG-N 3.37Å
604T87.4Confident92.2Very high69 Ų6932.8 Ų32.842%0.42318%0.18SC..SBendtrans-58.3-34.3178.2-48.10000112.1K547 E548K547-T604 PolarHBondContact NZ-O 2.62Å; E548-T604 PolarHBondContact OE1-N 3.42Å
605Y84.7Confident91.9Very high194 Ų19431.8 Ų31.876%0.76117%0.172SC*.SBendtrans-100.9154.5176.6-55.7-78.6000111.6S603S603-Y605 PolarHBondContact O-N 3.12Å; S603-Y605 PolarHBondContact OG-O 3.17Å
606G85.5Confident91.5Very high41 Ų4131.2 Ų31.242%0.42316%0.162SC..SBendtrans90.3-176-177.500000113.7M629G606-M629 WeakPolarHBondContact CA-O 3.39Å
607W89Confident91.2Very high18 Ų1833.8 Ų33.87%0.06819%0.185CC..  trans-75139-177.6-69-17.7000113.2T602 M611 E612 M615 M626 M629 A631T602-W607 WeakPolarHBondContact CG2-O 3.38Å; W607-M611 HydrophobicContact CB-CB 3.98Å; W607-M611 HydrophobicContact CB-CG 3.86Å; W607-M611 VanDerWaalsContact CD1-CG 3.42Å; W607-M611 HydrophobicContact CD2-CG 4.2Å; W607-M611 HydrophobicContact CG-CB 4.23Å; W607-M611 HydrophobicContact CG-CG 3.54Å; W607-E612 HydrophobicContact CB-CB 4.37Å; W607-E612 HydrophobicContact CE3-CB 4.45Å; W607-E612 HydrophobicContact CE3-CG 4.49Å; W607-M615 HydrophobicContact CD2-CG 4.49Å; W607-M615 HydrophobicContact CE3-CB 4.46Å; W607-M615 HydrophobicContact CH2-CB 4.08Å; W607-M615 HydrophobicContact CH2-CG 4.41Å; W607-M615 HydrophobicContact CZ2-CB 4.26Å; W607-M615 HydrophobicContact CZ2-CG 4.08Å; W607-M615 HydrophobicContact CZ2-SD 4.46Å; W607-M615 HydrophobicContact CZ3-CB 4.16Å; W607-M626 HydrophobicContact CZ3-CB 4.38Å; W607-M626 HydrophobicContact CZ3-CG 3.91Å; W607-M629 HydrophobicContact CD2-CB 3.7Å; W607-M629 VanDerWaalsContact CE2-CB 3.44Å; W607-M629 HydrophobicContact CE3-CB 4.09Å; W607-M629 HydrophobicContact CG-CB 4.22Å; W607-M629 HydrophobicContact CH2-CB 3.93Å; W607-M629 HydrophobicContact CH2-CG 4.5Å; W607-M629 HydrophobicContact CH2-SD 4.34Å; W607-M629 HydrophobicContact CZ2-CB 3.6Å; W607-M629 HydrophobicContact CZ2-CG 3.95Å; W607-M629 HydrophobicContact CZ2-SD 3.34Å; W607-M629 WeakPolarHBondContact CZ2-SD 3.45Å; W607-M629 HydrophobicContact CZ3-CB 4.18Å; W607-M629 PolarHBondContact N-O 2.89Å; W607-M629 PolarHBondContact NE1-SD 3.18Å; W607-M629 VanDerWaalsContact NE1-SD 3.36Å; W607-A631 WeakPolarHBondContact O-CB 3.41Å
608T92.5Very high90.7Very high9 Ų936.9 Ų36.96%0.05520%0.197CC..  trans-65.9164.3163.661.50000109.8E528 N610 M611 E612E528-T608 PolarHBondContact OE1-OG1 3.01Å; E528-T608 PolarHBondContact OE2-OG1 3.42Å; T608-N610 PolarHBondContact O-N 3.04Å; T608-M611 PolarHBondContact O-N 2.84Å; T608-M611 WeakPolarHBondContact OG1-CB 3.16Å; T608-M611 PolarHBondContact OG1-N 3.49Å; T608-E612 WeakPolarHBondContact O-CB 3.25Å; T608-E612 PolarHBondContact O-N 3.34Å
609A92.6Very high89.8Confident13 Ų1341.6 Ų41.611%0.10724%0.236CC..Hα-helixtrans-54.9-43.4173.200000112E612 R613 S675 F677A609-E612 PolarHBondContact O-N 2.98Å; A609-R613 WeakPolarHBondContact O-CB 3.43Å; A609-R613 PolarHBondContact O-N 3.18Å; A609-S675 WeakPolarHBondContact CB-O 2.89Å; A609-F677 HydrophobicContact CB-CD1 3.79Å; A609-F677 HydrophobicContact CB-CD2 3.9Å; A609-F677 HydrophobicContact CB-CE1 3.67Å; A609-F677 HydrophobicContact CB-CE2 3.78Å; A609-F677 HydrophobicContact CB-CG 3.93Å; A609-F677 HydrophobicContact CB-CZ 3.7Å
610N93Very high89Confident11 Ų1149.9 Ų49.96%0.05928%0.279CS..Hα-helixtrans-69.5-38.8179.3-175.552000112.6E528 T608 R613 I614E528-N610 VanDerWaalsContact CG-ND2 3.25Å; E528-N610 WeakPolarHBondContact CG-ND2 3.07Å; E528-N610 WeakPolarHBondContact OE1-CB 3.43Å; E528-N610 PolarHBondContact OE1-ND2 2.92Å; T608-N610 PolarHBondContact O-N 3.04Å; N610-R613 WeakPolarHBondContact O-CB 3.5Å; N610-R613 PolarHBondContact O-N 3.47Å; N610-R613 PolarHBondContact OD1-NE 2.99Å; N610-R613 PolarHBondContact OD1-NH2 3.44Å; N610-I614 WeakPolarHBondContact O-CD1 3.3Å; N610-I614 VanDerWaalsContact O-CG1 3.26Å; N610-I614 WeakPolarHBondContact O-CG1 3.4Å; N610-I614 PolarHBondContact O-N 3.17Å
611M91.6Very high88Confident3 Ų351.7 Ų51.72%0.01529%0.286CS..Hα-helixtrans-62.8-44.5172-177.666.968.900111.9E528 Q532 W607 T608 R613 I614 M615E528-M611 HydrophobicContact CB-CE 3.51Å; E528-M611 HydrophobicContact CB-SD 4.37Å; E528-M611 HydrophobicContact CG-CE 4.16Å; E528-M611 WeakPolarHBondContact OE2-CE 3.3Å; Q532-M611 HydrophobicContact CG-CE 4.31Å; W607-M611 HydrophobicContact CB-CB 3.98Å; W607-M611 HydrophobicContact CB-CG 3.86Å; W607-M611 VanDerWaalsContact CD1-CG 3.42Å; W607-M611 HydrophobicContact CD2-CG 4.2Å; W607-M611 HydrophobicContact CG-CB 4.23Å; W607-M611 HydrophobicContact CG-CG 3.54Å; T608-M611 PolarHBondContact O-N 2.84Å; T608-M611 WeakPolarHBondContact OG1-CB 3.16Å; T608-M611 PolarHBondContact OG1-N 3.49Å; M611-R613 VanDerWaalsContact C-N 3.29Å; M611-R613 PolarHBondContact O-N 2.82Å; M611-I614 PolarHBondContact O-N 3.1Å; M611-M615 HydrophobicContact CG-CG 4.04Å; M611-M615 WeakPolarHBondContact O-CB 3.4Å; M611-M615 WeakPolarHBondContact O-CG 3.33Å; M611-M615 PolarHBondContact O-N 3.09Å; M611-M615 HydrophobicContact SD-CE 3.45Å; M611-M615 WeakPolarHBondContact SD-CE 3.4Å; M611-M615 HydrophobicContact SD-CG 3.81Å
612E90.1Very high87.1Confident16 Ų1656.6 Ų56.68%0.07531%0.312CS..Hα-helixtrans-58.5-44.4177.7-174.9-178163.700110.6W607 T608 A609 K616W607-E612 HydrophobicContact CB-CB 4.37Å; W607-E612 HydrophobicContact CE3-CB 4.45Å; W607-E612 HydrophobicContact CE3-CG 4.49Å; T608-E612 WeakPolarHBondContact O-CB 3.25Å; T608-E612 PolarHBondContact O-N 3.34Å; A609-E612 PolarHBondContact O-N 2.98Å; E612-K616 HydrophobicContact CG-CD 4.15Å; E612-K616 VanDerWaalsContact O-CB 3.31Å; E612-K616 WeakPolarHBondContact O-CB 3.49Å; E612-K616 VanDerWaalsContact O-CG 3.26Å; E612-K616 WeakPolarHBondContact O-CG 3.23Å; E612-K616 PolarHBondContact O-N 3.23Å; E612-K616 WeakPolarHBondContact OE1-CE 3.36Å; E612-K616 IonicContact OE1-NZ 3.77Å; E612-K616 PolarHBondContact OE1-NZ 3.09Å
613R90.3Very high86.3Confident70 Ų7062.1 Ų62.126%0.26434%0.342SS..Hα-helixtrans-59.3-50.4174.7-176-168.965.480.54.8112.2E498 A609 N610 M611 M615 K616 A617E498-R613 VanDerWaalsContact CG-CZ 3.49Å; E498-R613 VanDerWaalsContact OE1-CD 3.23Å; E498-R613 WeakPolarHBondContact OE1-CD 3.21Å; E498-R613 IonicContact OE1-NE 3.58Å; E498-R613 PolarHBondContact OE1-NE 3.1Å; E498-R613 IonicContact OE2-NH1 2.7Å; A609-R613 WeakPolarHBondContact O-CB 3.43Å; A609-R613 PolarHBondContact O-N 3.18Å; N610-R613 WeakPolarHBondContact O-CB 3.5Å; N610-R613 PolarHBondContact O-N 3.47Å; N610-R613 PolarHBondContact OD1-NE 2.99Å; N610-R613 PolarHBondContact OD1-NH2 3.44Å; M611-R613 VanDerWaalsContact C-N 3.29Å; M611-R613 PolarHBondContact O-N 2.82Å; R613-M615 PolarHBondContact O-N 3.18Å; R613-K616 PolarHBondContact O-N 3.01Å; R613-A617 PolarHBondContact O-N 2.78Å
614I91Very high85.6Confident20 Ų2065 Ų6510%0.10336%0.362CS..Hα-helixtrans-59.9-48.6179.6-69.4162000110.6P525 E528 Y529 N610 M611 K616 A617 Q618P525-I614 HydrophobicContact CB-CD1 3.9Å; P525-I614 HydrophobicContact CB-CG1 4.14Å; E528-I614 HydrophobicContact CB-CD1 4.08Å; E528-I614 HydrophobicContact CG-CD1 3.82Å; Y529-I614 HydrophobicContact CE2-CG2 4.18Å; N610-I614 WeakPolarHBondContact O-CD1 3.3Å; N610-I614 VanDerWaalsContact O-CG1 3.26Å; N610-I614 WeakPolarHBondContact O-CG1 3.4Å; N610-I614 PolarHBondContact O-N 3.17Å; M611-I614 PolarHBondContact O-N 3.1Å; I614-K616 PolarHBondContact O-N 2.84Å; I614-A617 PolarHBondContact O-N 3.31Å; I614-Q618 PolarHBondContact O-N 2.94Å
615M88Confident85Confident22 Ų2264.4 Ų64.411%0.10836%0.358CS..Hα-helixtrans-70.2-34.9-174.8-66.9-77.4-178.600111.9Y529 W607 M611 R613 A617 Q618 R621Y529-M615 HydrophobicContact CE1-CE 3.45Å; Y529-M615 VanDerWaalsContact CE1-CE 3.45Å; Y529-M615 VanDerWaalsContact CZ-CE 3.48Å; Y529-M615 WeakPolarHBondContact OH-CE 3.39Å; W607-M615 HydrophobicContact CD2-CG 4.49Å; W607-M615 HydrophobicContact CE3-CB 4.46Å; W607-M615 HydrophobicContact CH2-CB 4.08Å; W607-M615 HydrophobicContact CH2-CG 4.41Å; W607-M615 HydrophobicContact CZ2-CB 4.26Å; W607-M615 HydrophobicContact CZ2-CG 4.08Å; W607-M615 HydrophobicContact CZ2-SD 4.46Å; W607-M615 HydrophobicContact CZ3-CB 4.16Å; M611-M615 HydrophobicContact CG-CG 4.04Å; M611-M615 WeakPolarHBondContact O-CB 3.4Å; M611-M615 WeakPolarHBondContact O-CG 3.33Å; M611-M615 PolarHBondContact O-N 3.09Å; M611-M615 HydrophobicContact SD-CE 3.45Å; M611-M615 WeakPolarHBondContact SD-CE 3.4Å; M611-M615 HydrophobicContact SD-CG 3.81Å; R613-M615 PolarHBondContact O-N 3.18Å; M615-A617 VanDerWaalsContact C-N 3.28Å; M615-A617 PolarHBondContact O-N 2.95Å; M615-Q618 PolarHBondContact O-N 3.39Å; M615-R621 VanDerWaalsContact C-CZ 3.46Å; M615-R621 VanDerWaalsContact C-NH1 3.25Å; M615-R621 PolarHBondContact O-NE 2.92Å; M615-R621 PolarHBondContact O-NH1 2.86Å
616K86.2Confident84.4Confident86 Ų8657.7 Ų57.737%0.37433%0.334SS..Hα-helixtrans-65.6-29.7172.5-78.8178.7-179.11770113E612 R613 I614 Q618 M626E612-K616 HydrophobicContact CG-CD 4.15Å; E612-K616 VanDerWaalsContact O-CB 3.31Å; E612-K616 WeakPolarHBondContact O-CB 3.49Å; E612-K616 VanDerWaalsContact O-CG 3.26Å; E612-K616 WeakPolarHBondContact O-CG 3.23Å; E612-K616 PolarHBondContact O-N 3.23Å; E612-K616 WeakPolarHBondContact OE1-CE 3.36Å; E612-K616 IonicContact OE1-NZ 3.77Å; E612-K616 PolarHBondContact OE1-NZ 3.09Å; R613-K616 PolarHBondContact O-N 3.01Å; I614-K616 PolarHBondContact O-N 2.84Å; K616-Q618 VanDerWaalsContact C-N 3.28Å; K616-M626 HydrophobicContact CD-SD 4.26Å; K616-M626 VanDerWaalsContact CE-SD 3.52Å; K616-M626 HydrophobicContact CG-SD 3.76Å
617A87.8Confident83.7Confident83 Ų8358.9 Ų58.969%0.68635%0.346SS*.THydrogen-bonded Turntrans-80.6-6.8178.300000113.4R613 I614 M615 A619R613-A617 PolarHBondContact O-N 2.78Å; I614-A617 PolarHBondContact O-N 3.31Å; M615-A617 VanDerWaalsContact C-N 3.28Å; M615-A617 PolarHBondContact O-N 2.95Å; A617-A619 PolarHBondContact O-N 3.29Å
618Q85.5Confident82.9Confident95 Ų9568.3 Ų68.344%0.44438%0.383SS..  trans-86.6110.6-175.1-163.5171.4-10.100111.6Y529 I614 M615 K616 L620 R621Y529-Q618 PolarHBondContact OH-OE1 3.28Å; I614-Q618 PolarHBondContact O-N 2.94Å; M615-Q618 PolarHBondContact O-N 3.39Å; K616-Q618 VanDerWaalsContact C-N 3.28Å; Q618-L620 VanDerWaalsContact C-N 3.31Å; Q618-L620 PolarHBondContact O-N 2.95Å; Q618-R621 HydrophobicContact CB-CB 4.48Å; Q618-R621 PolarHBondContact O-N 3.37Å
619A78.9Confident82.3Confident104 Ų10472.1 Ų72.186%0.8640%0.401SS*.THydrogen-bonded Turntrans-61.7-27-168.900000116.2A617A617-A619 PolarHBondContact O-N 3.29Å
620L79.8Confident81.6Confident174 Ų17473.6 Ų73.691%0.91141%0.414SS*.THydrogen-bonded Turntrans-96.96.6-175.2-62.7177.8000113.7Q618Q618-L620 VanDerWaalsContact C-N 3.31Å; Q618-L620 PolarHBondContact O-N 2.95Å
621R75.3Confident80.8Confident41 Ų4173.4 Ų73.416%0.15541%0.414CS..  trans-85.9136.5-175.5-167.1-167.366.4169.9-2.9111.1M615 Q618 N623 M626M615-R621 VanDerWaalsContact C-CZ 3.46Å; M615-R621 VanDerWaalsContact C-NH1 3.25Å; M615-R621 PolarHBondContact O-NE 2.92Å; M615-R621 PolarHBondContact O-NH1 2.86Å; Q618-R621 HydrophobicContact CB-CB 4.48Å; Q618-R621 PolarHBondContact O-N 3.37Å; R621-N623 PolarHBondContact O-N 3.29Å; R621-M626 PolarHBondContact NH2-SD 2.93Å; R621-M626 VanDerWaalsContact NH2-SD 3.39Å
622D75.9Confident80.6Confident103 Ų10379 Ų7955%0.55144%0.438SS*.  trans-72.7122.7169.3-176.24000111.1S624 T625D622-S624 PolarHBondContact O-N 2.9Å; D622-S624 WeakPolarHBondContact OD1-CB 3.4Å; D622-S624 PolarHBondContact OD1-N 2.87Å; D622-S624 PolarHBondContact OD1-OG 2.83Å; D622-S624 PolarHBondContact OD2-OG 3.37Å; D622-T625 PolarHBondContact O-OG1 3.1Å
623N75.7Confident80.8Confident119 Ų11980.3 Ų80.364%0.63644%0.444SS*.G310 helixtrans-68.8-19.4179.7-74.3-28.2000113.4R621 T625 M626R621-N623 PolarHBondContact O-N 3.29Å; N623-T625 PolarHBondContact O-N 3.22Å; N623-M626 WeakPolarHBondContact O-CB 3.48Å; N623-M626 PolarHBondContact O-N 3.17Å; N623-M626 VanDerWaalsContact O-N 3.16Å
624S77.2Confident81Confident75 Ų7577.1 Ų77.152%0.52443%0.432SS..G310 helixtrans-59.1-33.5179.773.30000112.6D622 M626D622-S624 PolarHBondContact O-N 2.9Å; D622-S624 WeakPolarHBondContact OD1-CB 3.4Å; D622-S624 PolarHBondContact OD1-N 2.87Å; D622-S624 PolarHBondContact OD1-OG 2.83Å; D622-S624 PolarHBondContact OD2-OG 3.37Å; S624-M626 VanDerWaalsContact C-N 3.29Å; S624-M626 PolarHBondContact O-N 3.39Å
625T73.4Confident81.3Confident55 Ų5576.2 Ų76.234%0.33743%0.427SS..G310 helixtrans-75.4-15.4-177.861.50000113.8D622 N623 G627 Y628 M629D622-T625 PolarHBondContact O-OG1 3.1Å; N623-T625 PolarHBondContact O-N 3.22Å; T625-G627 VanDerWaalsContact C-N 3.33Å; T625-G627 PolarHBondContact O-N 3.23Å; T625-Y628 PolarHBondContact O-N 2.88Å; T625-M629 PolarHBondContact O-N 3.43Å
626M72.4Confident81.7Confident54 Ų5475.6 Ų75.627%0.26642%0.424SS..Hα-helixtrans-66-34.5-173.8-173.8161.4109.200112.5W607 K616 R621 N623 S624 Y628 M629 A630W607-M626 HydrophobicContact CZ3-CB 4.38Å; W607-M626 HydrophobicContact CZ3-CG 3.91Å; K616-M626 HydrophobicContact CD-SD 4.26Å; K616-M626 VanDerWaalsContact CE-SD 3.52Å; K616-M626 HydrophobicContact CG-SD 3.76Å; R621-M626 PolarHBondContact NH2-SD 2.93Å; R621-M626 VanDerWaalsContact NH2-SD 3.39Å; N623-M626 WeakPolarHBondContact O-CB 3.48Å; N623-M626 PolarHBondContact O-N 3.17Å; N623-M626 VanDerWaalsContact O-N 3.16Å; S624-M626 VanDerWaalsContact C-N 3.29Å; S624-M626 PolarHBondContact O-N 3.39Å; M626-Y628 VanDerWaalsContact C-N 3.3Å; M626-Y628 PolarHBondContact O-N 3.47Å; M626-M629 PolarHBondContact O-N 3.12Å; M626-A630 WeakPolarHBondContact O-CB 3.4Å; M626-A630 PolarHBondContact O-N 2.92Å
627G71.6Confident82.2Confident65 Ų6571.5 Ų71.567%0.6741%0.406SS*.Hα-helixtrans-62.4-36.1179.400000113.3T625T625-G627 VanDerWaalsContact C-N 3.33Å; T625-G627 PolarHBondContact O-N 3.23Å
628Y71.5Confident82.6Confident216 Ų21667.7 Ų67.785%0.84737%0.374SS*.Hα-helixtrans-78.9-26.3-179.8-63.4-78.2000113.4T625 M626T625-Y628 PolarHBondContact O-N 2.88Å; M626-Y628 VanDerWaalsContact C-N 3.3Å; M626-Y628 PolarHBondContact O-N 3.47Å
629M81Confident83Confident89 Ų8963.6 Ų63.644%0.43836%0.355SS..Hα-helixtrans-101.5-12.1-177.4-60.7-154-166.800114.2G606 W607 T625 M626 A631G606-M629 WeakPolarHBondContact CA-O 3.39Å; W607-M629 HydrophobicContact CD2-CB 3.7Å; W607-M629 VanDerWaalsContact CE2-CB 3.44Å; W607-M629 HydrophobicContact CE3-CB 4.09Å; W607-M629 HydrophobicContact CG-CB 4.22Å; W607-M629 HydrophobicContact CH2-CB 3.93Å; W607-M629 HydrophobicContact CH2-CG 4.5Å; W607-M629 HydrophobicContact CH2-SD 4.34Å; W607-M629 HydrophobicContact CZ2-CB 3.6Å; W607-M629 HydrophobicContact CZ2-CG 3.95Å; W607-M629 HydrophobicContact CZ2-SD 3.34Å; W607-M629 WeakPolarHBondContact CZ2-SD 3.45Å; W607-M629 HydrophobicContact CZ3-CB 4.18Å; W607-M629 PolarHBondContact N-O 2.89Å; W607-M629 PolarHBondContact NE1-SD 3.18Å; W607-M629 VanDerWaalsContact NE1-SD 3.36Å; T625-M629 PolarHBondContact O-N 3.43Å; M626-M629 PolarHBondContact O-N 3.12Å; M629-A631 PolarHBondContact O-N 3.39Å
630A77.1Confident83.7Confident44 Ų4463 Ų6336%0.36434%0.338SS..  trans-58.6109.9173.600000109.5M626M626-A630 WeakPolarHBondContact O-CB 3.4Å; M626-A630 PolarHBondContact O-N 2.92Å
631A77.4Confident84.5Confident7 Ų756.5 Ų56.56%0.05830%0.303CS..PPolyproline II helixtrans-64.6143.417700000109.8T602 W607 M629T602-A631 HydrophobicContact CG2-CB 4.05Å; W607-A631 WeakPolarHBondContact O-CB 3.41Å; M629-A631 PolarHBondContact O-N 3.39Å
632K87.1Confident85.5Confident121 Ų12158.5 Ų58.553%0.52632%0.323SS..PPolyproline II helixtrans-69.5143170.4-61.7-174.3180173.80108.5E585 S603E585-K632 HydrophobicContact CB-CB 4.21Å; E585-K632 HydrophobicContact CB-CD 4.44Å; E585-K632 HydrophobicContact CG-CD 4.21Å; E585-K632 WeakPolarHBondContact OE1-CD 3.38Å; E585-K632 IonicContact OE1-NZ 2.82Å; E585-K632 PolarHBondContact OE1-NZ 2.96Å; E585-K632 WeakPolarHBondContact OE2-CB 3.22Å; E585-K632 WeakPolarHBondContact OE2-CD 3.35Å; E585-K632 IonicContact OE2-NZ 2.67Å; S603-K632 PolarHBondContact N-O 3.07Å; S603-K632 PolarHBondContact OG-N 3.37Å
633K93.1Very high86.4Confident44 Ų4456.6 Ų56.619%0.19131%0.312CS..EExtended strand (participates in β ladder)trans-101.7134.4-175.3-61.9-179.7-179.673.90109.4V584 E585 I600 L672 F677V584-K633 CarbonylContact C-O 3.52Å; V584-K633 WeakPolarHBondContact CA-O 3.46Å; E585-K633 PolarHBondContact N-O 3.42Å; I600-K633 HydrophobicContact CG2-CB 3.84Å; I600-K633 HydrophobicContact CG2-CD 4.26Å; I600-K633 HydrophobicContact CG2-CG 4.18Å; K633-L672 HydrophobicContact CD-CD2 3.83Å; K633-F677 HydrophobicContact CD-CD1 4.38Å; K633-F677 HydrophobicContact CD-CE1 4.23Å; K633-F677 HydrophobicContact CD-CZ 4.35Å; K633-F677 VanDerWaalsContact CE-CE1 3.47Å; K633-F677 HydrophobicContact CG-CE1 4.31Å; K633-F677 HydrophobicContact CG-CZ 4.19Å
634H94.7Very high87.3Confident3 Ų350.9 Ų50.91%0.01428%0.282CS..EExtended strand (participates in β ladder)trans-118.4141171.5-48.8-70.9000110.1E548 E585 K586 I600 V601E548-H634 IonicContact OE1-NE2 2.84Å; E548-H634 IonicContact OE2-CD2 2.68Å; E548-H634 PolarHBondContact OE2-CD2 2.89Å; E548-H634 IonicContact OE2-NE2 3.39Å; E548-H634 PolarHBondContact OE2-NE2 2.62Å; E585-H634 IonicContact OE2-CE1 2.69Å; E585-H634 PolarHBondContact OE2-CE1 3.07Å; E585-H634 IonicContact OE2-NE2 3.89Å; K586-H634 HydrophobicContact CB-CB 4.44Å; K586-H634 WeakPolarHBondContact CB-ND1 3.03Å; K586-H634 PolarHBondContact N-ND1 3.4Å; K586-H634 CarbonylContact O-C 3.6Å; K586-H634 WeakPolarHBondContact O-CA 3.28Å; I600-H634 CarbonylContact C-O 3.54Å; I600-H634 WeakPolarHBondContact CA-O 3.32Å; V601-H634 HydrophobicContact CG2-CB 3.72Å; V601-H634 PolarHBondContact N-O 3.2Å; V601-H634 PolarHBondContact O-N 2.96Å
635L96.8Very high88.1Confident0 Ų049.2 Ų49.20%027%0.266CS..EExtended strand (participates in β ladder)trans-93.6118.7173.8-178.768.2000109.3M576 L580 V584 K586 V587 V588 C598 I600 I637 A671M576-L635 HydrophobicContact CE-CD2 3.46Å; M576-L635 VanDerWaalsContact CE-CD2 3.46Å; L580-L635 HydrophobicContact CD1-CD2 3.72Å; V584-L635 HydrophobicContact CG1-CB 4.25Å; K586-L635 PolarHBondContact O-N 3.38Å; V587-L635 CarbonylContact C-O 3.56Å; V587-L635 VanDerWaalsContact CA-O 3.29Å; V587-L635 WeakPolarHBondContact CA-O 3.12Å; V587-L635 HydrophobicContact CG1-CB 4.32Å; V587-L635 HydrophobicContact CG1-CD2 4.13Å; V587-L635 HydrophobicContact CG1-CG 4.35Å; V587-L635 HydrophobicContact CG2-CB 4.17Å; V587-L635 HydrophobicContact CG2-CD2 4.31Å; V588-L635 PolarHBondContact N-O 3.39Å; C598-L635 HydrophobicContact CB-CD1 3.8Å; C598-L635 HydrophobicContact CB-CG 4.49Å; I600-L635 HydrophobicContact CD1-CB 4.13Å; I600-L635 HydrophobicContact CD1-CD1 3.51Å; I600-L635 HydrophobicContact CD1-CG 4.42Å; L635-I637 HydrophobicContact CD2-CG2 4.43Å; L635-I637 HydrophobicContact CG-CG2 4.27Å; L635-A671 HydrophobicContact CD1-CB 4.37Å
636E96.7Very high89.1Confident10 Ų1050 Ų505%0.04727%0.271CS..EExtended strand (participates in β ladder)trans-99.2124.6174.1-93-168.5-149.700109.1V588 S590 R592 L593 C598 C599 V601V588-E636 HydrophobicContact CG2-CG 3.73Å; V588-E636 CarbonylContact O-C 3.55Å; V588-E636 WeakPolarHBondContact O-CA 3.17Å; S590-E636 WeakPolarHBondContact CB-OE2 3.31Å; S590-E636 PolarHBondContact OG-OE2 3.41Å; R592-E636 IonicContact CZ-OE1 3.33Å; R592-E636 IonicContact CZ-OE2 3.43Å; R592-E636 IonicContact NE-OE1 3.89Å; R592-E636 PolarHBondContact NE-OE1 2.88Å; R592-E636 IonicContact NE-OE2 2.73Å; R592-E636 PolarHBondContact NE-OE2 3.07Å; R592-E636 IonicContact NH2-OE1 2.72Å; R592-E636 PolarHBondContact NH2-OE1 3.25Å; R592-E636 IonicContact NH2-OE2 3.22Å; L593-E636 WeakPolarHBondContact CD1-O 3.31Å; C598-E636 CarbonylContact C-O 3.56Å; C598-E636 WeakPolarHBondContact CA-O 3.46Å; C598-E636 WeakPolarHBondContact CB-O 3.4Å; C599-E636 PolarHBondContact N-O 2.69Å; C599-E636 PolarHBondContact O-N 3.08Å; V601-E636 HydrophobicContact CG1-CG 4.37Å; V601-E636 HydrophobicContact CG2-CG 4.21Å
637I97Very high90.1Very high0 Ų047.5 Ų47.50%026%0.258CS..EExtended strand (participates in β ladder)trans-106.6144.3-178.765.5170.9000112F569 L572 C573 M576 V587 V588 V589 S590 C598 L635 P639 I644F569-I637 HydrophobicContact CB-CD1 4.3Å; L572-I637 HydrophobicContact CD2-CD1 4.23Å; C573-I637 VanDerWaalsContact SG-CD1 3.55Å; M576-I637 HydrophobicContact CE-CG2 4.05Å; M576-I637 HydrophobicContact SD-CG2 4.03Å; V587-I637 HydrophobicContact CG1-CG2 4.12Å; V588-I637 PolarHBondContact O-N 3.03Å; V589-I637 HydrophobicContact CG2-CD1 4.28Å; V589-I637 HydrophobicContact CG2-CG1 4.18Å; S590-I637 WeakPolarHBondContact CB-O 3.39Å; S590-I637 PolarHBondContact N-O 3.08Å; C598-I637 HydrophobicContact CB-CG2 4.18Å; L635-I637 HydrophobicContact CD2-CG2 4.43Å; L635-I637 HydrophobicContact CG-CG2 4.27Å; I637-P639 WeakPolarHBondContact O-CD 3.45Å; I637-I644 HydrophobicContact CB-CD1 4.34Å; I637-I644 HydrophobicContact CB-CG2 4.39Å; I637-I644 HydrophobicContact CD1-CG2 4.09Å; I637-I644 HydrophobicContact CG2-CD1 4.46Å
638N96.2Very high91.2Very high2 Ų246.1 Ų46.11%0.01123%0.233CC..  trans-92.8106.9176.5-178.5-2.4000110.6L593 V594 S596 P597 D640 H641 I644L593-N638 HydrophobicContact CB-CB 3.85Å; L593-N638 HydrophobicContact CD1-CB 4.03Å; V594-N638 PolarHBondContact O-ND2 2.85Å; S596-N638 WeakPolarHBondContact O-CB 3.47Å; S596-N638 PolarHBondContact O-ND2 3.08Å; P597-N638 WeakPolarHBondContact O-CB 3.45Å; P597-N638 PolarHBondContact O-N 3.35Å; N638-D640 PolarHBondContact O-N 3.29Å; N638-D640 VanDerWaalsContact O-N 3.17Å; N638-D640 PolarHBondContact OD1-N 3.43Å; N638-D640 VanDerWaalsContact OD1-N 3.09Å; N638-H641 HydrophobicContact CB-CB 4.09Å; N638-H641 PolarHBondContact O-N 3.26Å; N638-I644 VanDerWaalsContact O-CB 3.28Å; N638-I644 WeakPolarHBondContact O-CB 3.31Å; N638-I644 WeakPolarHBondContact O-CG1 3.25Å; N638-I644 WeakPolarHBondContact O-CG2 3.46Å
639P94.5Very high92.2Very high9 Ų940.7 Ų40.76%0.05822%0.215CC..THydrogen-bonded Turntrans-68-16.5-175.530.5-36.3000113.3K565 F569 V589 I637K565-P639 HydrophobicContact CB-CB 4.18Å; K565-P639 HydrophobicContact CB-CG 4.17Å; K565-P639 HydrophobicContact CD-CB 4.19Å; K565-P639 HydrophobicContact CD-CG 3.67Å; K565-P639 HydrophobicContact CG-CB 4.32Å; K565-P639 HydrophobicContact CG-CG 4.28Å; F569-P639 HydrophobicContact CD2-CB 3.61Å; F569-P639 HydrophobicContact CE2-CB 3.38Å; F569-P639 HydrophobicContact CG-CB 4.39Å; F569-P639 HydrophobicContact CZ-CB 4Å; F569-P639 VanDerWaalsContact CZ-O 3.27Å; F569-P639 WeakPolarHBondContact CZ-O 3.24Å; V589-P639 HydrophobicContact CG1-CB 4.08Å; V589-P639 HydrophobicContact CG1-CG 3.64Å; I637-P639 WeakPolarHBondContact O-CD 3.45Å
640D93.4Very high92.6Very high93 Ų9340.7 Ų40.750%0.49721%0.213SC..THydrogen-bonded Turntrans-91.3-5.9-179.3-60.1-33.1000112.5K565 N638K565-D640 VanDerWaalsContact CE-OD1 3.24Å; K565-D640 WeakPolarHBondContact CE-OD1 3.21Å; K565-D640 IonicContact NZ-OD1 2.74Å; K565-D640 PolarHBondContact NZ-OD1 2.93Å; K565-D640 IonicContact NZ-OD2 3.71Å; K565-D640 PolarHBondContact NZ-OD2 2.9Å; N638-D640 PolarHBondContact O-N 3.29Å; N638-D640 VanDerWaalsContact O-N 3.17Å; N638-D640 PolarHBondContact OD1-N 3.43Å; N638-D640 VanDerWaalsContact OD1-N 3.09Å
641H96.4Very high93.1Very high37 Ų3738.8 Ų38.817%0.17120%0.197CC..SBendtrans-82.7134-177.7-165.1-71.8000111.4T595 P597 N638 I643 I644 E645T595-H641 PolarHBondContact O-CD2 3.23Å; T595-H641 PolarHBondContact O-NE2 2.76Å; P597-H641 HydrophobicContact CB-CB 4.36Å; N638-H641 HydrophobicContact CB-CB 4.09Å; N638-H641 PolarHBondContact O-N 3.26Å; H641-I643 VanDerWaalsContact C-N 3.32Å; H641-I643 VanDerWaalsContact CE1-CD1 3.49Å; H641-I643 WeakPolarHBondContact CE1-CD1 3.44Å; H641-I643 WeakPolarHBondContact ND1-CB 3.29Å; H641-I643 PolarHBondContact ND1-N 3.12Å; H641-I643 VanDerWaalsContact ND1-N 3.14Å; H641-I643 PolarHBondContact O-N 3.49Å; H641-I644 HydrophobicContact CB-CB 4.41Å; H641-I644 HydrophobicContact CB-CG1 4.08Å; H641-I644 PolarHBondContact O-N 2.88Å; H641-E645 PolarHBondContact O-N 3.43Å
642S95.8Very high93.6Very high83 Ų8343.5 Ų43.558%0.5822%0.218SC*.Hα-helixtrans-55.6-42.2-177.357.80000113.5I644 E645 T646S642-I644 VanDerWaalsContact C-N 3.35Å; S642-I644 PolarHBondContact O-N 3.04Å; S642-E645 PolarHBondContact O-N 3.46Å; S642-T646 WeakPolarHBondContact O-CB 3.35Å; S642-T646 PolarHBondContact O-N 2.68Å; S642-T646 PolarHBondContact O-OG1 2.65Å
643I94.8Very high93.7Very high62 Ų6242 Ų4232%0.31823%0.228SC..Hα-helixtrans-57.4-44.6173.9-62.4173.5000111.7H641 T646 L647 L667H641-I643 VanDerWaalsContact C-N 3.32Å; H641-I643 VanDerWaalsContact CE1-CD1 3.49Å; H641-I643 WeakPolarHBondContact CE1-CD1 3.44Å; H641-I643 WeakPolarHBondContact ND1-CB 3.29Å; H641-I643 PolarHBondContact ND1-N 3.12Å; H641-I643 VanDerWaalsContact ND1-N 3.14Å; H641-I643 PolarHBondContact O-N 3.49Å; I643-T646 PolarHBondContact O-N 3.08Å; I643-L647 HydrophobicContact CG2-CD1 4.02Å; I643-L647 HydrophobicContact CG2-CG 4.48Å; I643-L647 WeakPolarHBondContact O-CB 3.4Å; I643-L647 WeakPolarHBondContact O-CG 3.48Å; I643-L647 PolarHBondContact O-N 2.83Å; I643-L667 HydrophobicContact CG2-CD1 3.9Å; I643-L667 HydrophobicContact CG2-CD2 4.32Å
644I96Very high93.5Very high0 Ų043.6 Ų43.60%024%0.239CC..Hα-helixtrans-71.4-39.8-176.8-60.1-60.3000111F569 L572 P597 I637 N638 H641 S642 L647 R648F569-I644 HydrophobicContact CD1-CG2 4.02Å; F569-I644 HydrophobicContact CE1-CG2 3.74Å; L572-I644 HydrophobicContact CD2-CG2 3.96Å; P597-I644 HydrophobicContact CB-CD1 4.22Å; P597-I644 HydrophobicContact CB-CG1 4.11Å; P597-I644 WeakPolarHBondContact O-CD1 3.35Å; P597-I644 VanDerWaalsContact O-CG1 3.28Å; P597-I644 WeakPolarHBondContact O-CG1 3.34Å; I637-I644 HydrophobicContact CB-CD1 4.34Å; I637-I644 HydrophobicContact CB-CG2 4.39Å; I637-I644 HydrophobicContact CD1-CG2 4.09Å; I637-I644 HydrophobicContact CG2-CD1 4.46Å; N638-I644 VanDerWaalsContact O-CB 3.28Å; N638-I644 WeakPolarHBondContact O-CB 3.31Å; N638-I644 WeakPolarHBondContact O-CG1 3.25Å; N638-I644 WeakPolarHBondContact O-CG2 3.46Å; H641-I644 HydrophobicContact CB-CB 4.41Å; H641-I644 HydrophobicContact CB-CG1 4.08Å; H641-I644 PolarHBondContact O-N 2.88Å; S642-I644 VanDerWaalsContact C-N 3.35Å; S642-I644 PolarHBondContact O-N 3.04Å; I644-L647 HydrophobicContact CD1-CD1 4.33Å; I644-L647 PolarHBondContact O-N 3.07Å; I644-R648 PolarHBondContact O-N 3.25Å
645E94.4Very high92.8Very high39 Ų3950.3 Ų50.318%0.18227%0.268CS..Hα-helixtrans-64.1-40.8173178.458.4-147.500111.7K568 F569 H641 S642 R648 Q649K568-E645 WeakPolarHBondContact CE-OE2 3.45Å; K568-E645 IonicContact NZ-OE1 2.7Å; K568-E645 IonicContact NZ-OE2 2.65Å; K568-E645 PolarHBondContact NZ-OE2 3.3Å; F569-E645 WeakPolarHBondContact CZ-OE2 3.38Å; H641-E645 PolarHBondContact O-N 3.43Å; S642-E645 PolarHBondContact O-N 3.46Å; E645-R648 WeakPolarHBondContact O-CB 3.34Å; E645-R648 PolarHBondContact O-N 2.97Å; E645-R648 IonicContact OE1-CZ 2.7Å; E645-R648 IonicContact OE1-NE 2.69Å; E645-R648 PolarHBondContact OE1-NE 3.46Å; E645-R648 IonicContact OE1-NH2 2.72Å; E645-R648 PolarHBondContact OE1-NH2 2.75Å; E645-R648 IonicContact OE2-NE 2.74Å; E645-R648 PolarHBondContact OE2-NE 2.61Å; E645-Q649 WeakPolarHBondContact O-CG 3.49Å; E645-Q649 PolarHBondContact O-N 3.5Å; E645-Q649 VanDerWaalsContact O-N 3.14Å; E645-Q649 PolarHBondContact OE1-NE2 3.05Å
646T93.8Very high92Very high72 Ų7256.4 Ų56.444%0.44230%0.3SS..Hα-helixtrans-65.4-41.1176.4-54.90000111.3S642 I643 R648 Q649 K650S642-T646 WeakPolarHBondContact O-CB 3.35Å; S642-T646 PolarHBondContact O-N 2.68Å; S642-T646 PolarHBondContact O-OG1 2.65Å; I643-T646 PolarHBondContact O-N 3.08Å; T646-R648 VanDerWaalsContact C-N 3.34Å; T646-R648 PolarHBondContact O-N 3.28Å; T646-Q649 PolarHBondContact O-N 3.32Å; T646-K650 PolarHBondContact O-N 2.82Å
647L93Very high91.3Very high2 Ų258 Ų581%0.0131%0.309CS..Hα-helixtrans-61.4-41.4174.8-84170.9000112.1L572 I643 I644 Q649 K650 A651 V660 L663 V664 L667L572-L647 HydrophobicContact CD1-CB 4.19Å; L572-L647 HydrophobicContact CD2-CB 4.3Å; I643-L647 HydrophobicContact CG2-CD1 4.02Å; I643-L647 HydrophobicContact CG2-CG 4.48Å; I643-L647 WeakPolarHBondContact O-CB 3.4Å; I643-L647 WeakPolarHBondContact O-CG 3.48Å; I643-L647 PolarHBondContact O-N 2.83Å; I644-L647 HydrophobicContact CD1-CD1 4.33Å; I644-L647 PolarHBondContact O-N 3.07Å; L647-Q649 PolarHBondContact O-N 2.96Å; L647-K650 PolarHBondContact O-N 2.79Å; L647-A651 WeakPolarHBondContact O-CB 3.37Å; L647-A651 PolarHBondContact O-N 3.04Å; L647-V660 HydrophobicContact CD2-CG1 4.14Å; L647-L663 HydrophobicContact CD2-CB 4.47Å; L647-L663 HydrophobicContact CD2-CD2 3.73Å; L647-L663 HydrophobicContact CD2-CG 4.16Å; L647-L663 HydrophobicContact CG-CD2 4.15Å; L647-V664 HydrophobicContact CD2-CG2 4.23Å; L647-L667 HydrophobicContact CD1-CD1 3.33Å
648R94.1Very high90.5Very high35 Ų3565.7 Ų65.713%0.13234%0.343CS..Hα-helixtrans-57.6-50174.6-169.9-167.564.375.39.5111F569 L572 I644 E645 T646 A651 E652F569-R648 HydrophobicContact CD1-CB 4.11Å; F569-R648 HydrophobicContact CD1-CG 4.14Å; F569-R648 HydrophobicContact CE1-CB 3.88Å; F569-R648 HydrophobicContact CE1-CG 4.22Å; L572-R648 HydrophobicContact CB-CG 4.41Å; L572-R648 HydrophobicContact CD2-CB 4.07Å; I644-R648 PolarHBondContact O-N 3.25Å; E645-R648 WeakPolarHBondContact O-CB 3.34Å; E645-R648 PolarHBondContact O-N 2.97Å; E645-R648 IonicContact OE1-CZ 2.7Å; E645-R648 IonicContact OE1-NE 2.69Å; E645-R648 PolarHBondContact OE1-NE 3.46Å; E645-R648 IonicContact OE1-NH2 2.72Å; E645-R648 PolarHBondContact OE1-NH2 2.75Å; E645-R648 IonicContact OE2-NE 2.74Å; E645-R648 PolarHBondContact OE2-NE 2.61Å; T646-R648 VanDerWaalsContact C-N 3.34Å; T646-R648 PolarHBondContact O-N 3.28Å; R648-A651 PolarHBondContact O-N 2.88Å; R648-E652 IonicContact CZ-OE1 2.66Å; R648-E652 IonicContact CZ-OE2 3.76Å; R648-E652 IonicContact NH1-OE1 3.46Å; R648-E652 PolarHBondContact NH1-OE1 2.63Å; R648-E652 IonicContact NH1-OE2 3.66Å; R648-E652 PolarHBondContact NH1-OE2 2.63Å; R648-E652 WeakPolarHBondContact O-CB 3.4Å; R648-E652 WeakPolarHBondContact O-CG 3.34Å; R648-E652 PolarHBondContact O-N 2.99Å
649Q92.8Very high89.8Confident102 Ų10268 Ų6848%0.47736%0.359SS..Hα-helixtrans-63.2-43.4-179.4-67.5172.814.600112.2E645 T646 L647 E652 A653E645-Q649 WeakPolarHBondContact O-CG 3.49Å; E645-Q649 PolarHBondContact O-N 3.5Å; E645-Q649 VanDerWaalsContact O-N 3.14Å; E645-Q649 PolarHBondContact OE1-NE2 3.05Å; T646-Q649 PolarHBondContact O-N 3.32Å; L647-Q649 PolarHBondContact O-N 2.96Å; Q649-E652 PolarHBondContact O-N 3.11Å; Q649-A653 PolarHBondContact O-N 3.05Å
650K90.7Very high89.4Confident90 Ų9067.7 Ų67.739%0.39136%0.357SS..Hα-helixtrans-64.7-44.1176.1-81.3-160.6163.1-153.30112.5T646 L647 E652 A653 D654 D657 S659 V660T646-K650 PolarHBondContact O-N 2.82Å; L647-K650 PolarHBondContact O-N 2.79Å; K650-E652 VanDerWaalsContact C-N 3.28Å; K650-E652 PolarHBondContact O-N 2.84Å; K650-A653 PolarHBondContact O-N 2.84Å; K650-A653 VanDerWaalsContact O-N 3.15Å; K650-D654 PolarHBondContact O-N 3.05Å; K650-D657 IonicContact NZ-OD2 3.91Å; K650-S659 PolarHBondContact NZ-OG 2.92Å; K650-V660 HydrophobicContact CB-CG2 3.65Å; K650-V660 HydrophobicContact CD-CG2 4Å; K650-V660 HydrophobicContact CG-CG2 4.5Å
651A87.7Confident89Confident4 Ų468.6 Ų68.63%0.03336%0.357CS..Hα-helixtrans-66.9-30.1179.600000112.5L572 I575 L647 R648 K655L572-A651 HydrophobicContact CD1-CB 4.04Å; I575-A651 HydrophobicContact CD1-CB 3.77Å; L647-A651 WeakPolarHBondContact O-CB 3.37Å; L647-A651 PolarHBondContact O-N 3.04Å; R648-A651 PolarHBondContact O-N 2.88Å; A651-K655 PolarHBondContact O-N 2.86Å
652E86.9Confident88.5Confident105 Ų10570.2 Ų70.249%0.49137%0.366SS..Hα-helixtrans-72.2-34170.8-77.1172.7-177.200113R648 Q649 K650R648-E652 IonicContact CZ-OE1 2.66Å; R648-E652 IonicContact CZ-OE2 3.76Å; R648-E652 IonicContact NH1-OE1 3.46Å; R648-E652 PolarHBondContact NH1-OE1 2.63Å; R648-E652 IonicContact NH1-OE2 3.66Å; R648-E652 PolarHBondContact NH1-OE2 2.63Å; R648-E652 WeakPolarHBondContact O-CB 3.4Å; R648-E652 WeakPolarHBondContact O-CG 3.34Å; R648-E652 PolarHBondContact O-N 2.99Å; Q649-E652 PolarHBondContact O-N 3.11Å; K650-E652 VanDerWaalsContact C-N 3.28Å; K650-E652 PolarHBondContact O-N 2.84Å
653A90Very high88.2Confident89 Ų8969.4 Ų69.474%0.73636%0.355SS*.Hα-helixtrans-72.5-46.9176.500000112Q649 K650Q649-A653 PolarHBondContact O-N 3.05Å; K650-A653 PolarHBondContact O-N 2.84Å; K650-A653 VanDerWaalsContact O-N 3.15Å
654D87.3Confident88.1Confident79 Ų7966.5 Ų66.542%0.42234%0.34SS..  trans-151.7108.1173.9-175.84.6000111.2K650 N656 D657K650-D654 PolarHBondContact O-N 3.05Å; D654-N656 PolarHBondContact O-N 2.97Å; D654-N656 PolarHBondContact OD1-N 2.87Å; D654-D657 HydrophobicContact CB-CB 4.27Å; D654-D657 WeakPolarHBondContact O-CB 3.4Å; D654-D657 PolarHBondContact O-N 2.81Å
655K79.8Confident87.9Confident144 Ų14467.6 Ų67.663%0.62635%0.346SS*.THydrogen-bonded Turntrans-64.7-18.2176.866.5177.8-176.7175.60113.9I575 A651I575-K655 HydrophobicContact CD1-CB 4.2Å; A651-K655 PolarHBondContact O-N 2.86Å
656N81.5Confident87.8Confident127 Ų12766.8 Ų66.868%0.67934%0.343SS*.THydrogen-bonded Turntrans-103.18.8-178-65.1-35.9000112.7D654 K658D654-N656 PolarHBondContact O-N 2.97Å; D654-N656 PolarHBondContact OD1-N 2.87Å; N656-K658 PolarHBondContact O-N 2.82Å; N656-K658 VanDerWaalsContact O-N 3.11Å
657D81.8Confident87.8Confident45 Ų4564.1 Ų64.124%0.24133%0.326CS..  trans-59.8115.3176.7-178.8-13.3000110.1K650 D654 S659 V660 K661K650-D657 IonicContact NZ-OD2 3.91Å; D654-D657 HydrophobicContact CB-CB 4.27Å; D654-D657 WeakPolarHBondContact O-CB 3.4Å; D654-D657 PolarHBondContact O-N 2.81Å; D657-S659 PolarHBondContact O-N 2.75Å; D657-S659 WeakPolarHBondContact OD1-CA 3.43Å; D657-S659 VanDerWaalsContact OD1-CB 3.25Å; D657-S659 WeakPolarHBondContact OD1-CB 3.29Å; D657-S659 PolarHBondContact OD1-N 2.86Å; D657-S659 PolarHBondContact OD1-OG 2.9Å; D657-S659 PolarHBondContact OD2-OG 3.27Å; D657-V660 HydrophobicContact CB-CB 4.19Å; D657-V660 HydrophobicContact CB-CG2 3.77Å; D657-V660 WeakPolarHBondContact O-CB 3.4Å; D657-V660 PolarHBondContact O-N 2.79Å; D657-K661 PolarHBondContact O-N 2.86Å; D657-K661 VanDerWaalsContact O-N 3.16Å
658K80.6Confident87.9Confident160 Ų16064.3 Ų64.370%0.69633%0.326SS*.Hα-helixtrans-56.7-35.2179.5-172-178.8176-171.70111.7N656 V660 K661 D662N656-K658 PolarHBondContact O-N 2.82Å; N656-K658 VanDerWaalsContact O-N 3.11Å; K658-V660 VanDerWaalsContact C-N 3.32Å; K658-V660 PolarHBondContact O-N 2.79Å; K658-K661 PolarHBondContact O-N 2.98Å; K658-D662 PolarHBondContact O-N 3Å
659S80.9Confident87.9Confident51 Ų5163.3 Ų63.336%0.35732%0.323SS..Hα-helixtrans-66.2-34177.476.70000112.4K650 D657 L663K650-S659 PolarHBondContact NZ-OG 2.92Å; D657-S659 PolarHBondContact O-N 2.75Å; D657-S659 WeakPolarHBondContact OD1-CA 3.43Å; D657-S659 VanDerWaalsContact OD1-CB 3.25Å; D657-S659 WeakPolarHBondContact OD1-CB 3.29Å; D657-S659 PolarHBondContact OD1-N 2.86Å; D657-S659 PolarHBondContact OD1-OG 2.9Å; D657-S659 PolarHBondContact OD2-OG 3.27Å; S659-L663 VanDerWaalsContact O-CB 3.25Å; S659-L663 WeakPolarHBondContact O-CB 3.43Å; S659-L663 PolarHBondContact O-N 3.09Å
660V85.4Confident88Confident2 Ų261.8 Ų61.81%0.01232%0.321CS..Hα-helixtrans-66.7-45.4173.9174.30000109.8L647 K650 D657 K658 D662 L663 V664L647-V660 HydrophobicContact CD2-CG1 4.14Å; K650-V660 HydrophobicContact CB-CG2 3.65Å; K650-V660 HydrophobicContact CD-CG2 4Å; K650-V660 HydrophobicContact CG-CG2 4.5Å; D657-V660 HydrophobicContact CB-CB 4.19Å; D657-V660 HydrophobicContact CB-CG2 3.77Å; D657-V660 WeakPolarHBondContact O-CB 3.4Å; D657-V660 PolarHBondContact O-N 2.79Å; K658-V660 VanDerWaalsContact C-N 3.32Å; K658-V660 PolarHBondContact O-N 2.79Å; V660-D662 PolarHBondContact O-N 2.79Å; V660-L663 PolarHBondContact O-N 3.24Å; V660-V664 HydrophobicContact CG1-CG2 4.27Å; V660-V664 WeakPolarHBondContact O-CB 3.35Å; V660-V664 VanDerWaalsContact O-CG2 3.25Å; V660-V664 WeakPolarHBondContact O-CG2 3.38Å; V660-V664 PolarHBondContact O-N 3.3Å
661K86.3Confident88.2Confident113 Ų11357.6 Ų57.649%0.49130%0.303SS..Hα-helixtrans-59-48.5177.6-172174.7-179.6176.30112I579 D657 K658 V664 I665I579-K661 HydrophobicContact CG1-CG 4.28Å; I579-K661 HydrophobicContact CG2-CG 3.87Å; D657-K661 PolarHBondContact O-N 2.86Å; D657-K661 VanDerWaalsContact O-N 3.16Å; K658-K661 PolarHBondContact O-N 2.98Å; K661-V664 PolarHBondContact O-N 2.96Å; K661-I665 HydrophobicContact CG-CD1 4.12Å; K661-I665 VanDerWaalsContact O-CG1 3.31Å; K661-I665 WeakPolarHBondContact O-CG1 3.44Å; K661-I665 PolarHBondContact O-N 3.44Å
662D84.8Confident88.4Confident71 Ų7157.9 Ų57.938%0.3830%0.304SS..Hα-helixtrans-65.1-39.6179.9-73.1-29.5000112.1K658 V660 I665 L666K658-D662 PolarHBondContact O-N 3Å; V660-D662 PolarHBondContact O-N 2.79Å; D662-I665 PolarHBondContact O-N 2.94Å; D662-L666 WeakPolarHBondContact O-CB 3.37Å; D662-L666 PolarHBondContact O-N 3.3Å
663L89.8Confident88.7Confident66 Ų6657.7 Ų57.735%0.34631%0.306SS..Hα-helixtrans-68.1-39.2177-176.858.5000112.4L647 S659 V660 L666 L667L647-L663 HydrophobicContact CD2-CB 4.47Å; L647-L663 HydrophobicContact CD2-CD2 3.73Å; L647-L663 HydrophobicContact CD2-CG 4.16Å; L647-L663 HydrophobicContact CG-CD2 4.15Å; S659-L663 VanDerWaalsContact O-CB 3.25Å; S659-L663 WeakPolarHBondContact O-CB 3.43Å; S659-L663 PolarHBondContact O-N 3.09Å; V660-L663 PolarHBondContact O-N 3.24Å; L663-L666 HydrophobicContact CD1-CD2 4.23Å; L663-L666 PolarHBondContact O-N 2.98Å; L663-L667 HydrophobicContact CD1-CG 4.43Å; L663-L667 HydrophobicContact CG-CD1 4.28Å; L663-L667 WeakPolarHBondContact O-CB 3.42Å; L663-L667 WeakPolarHBondContact O-CG 3.37Å; L663-L667 PolarHBondContact O-N 3.13Å
664V92.6Very high88.9Confident1 Ų157 Ų571%0.00630%0.296CS..Hα-helixtrans-63.9-43175.3168.40000110.9M576 I579 L580 L647 V660 K661 L667 Y668M576-V664 HydrophobicContact CB-CG1 4.26Å; M576-V664 HydrophobicContact CE-CG1 4.09Å; M576-V664 HydrophobicContact CE-CG2 4.42Å; M576-V664 HydrophobicContact CG-CG1 4.06Å; M576-V664 HydrophobicContact CG-CG2 4.03Å; I579-V664 HydrophobicContact CB-CG1 4.16Å; I579-V664 HydrophobicContact CD1-CB 4.15Å; I579-V664 HydrophobicContact CD1-CG1 4.2Å; I579-V664 HydrophobicContact CD1-CG2 4.09Å; I579-V664 HydrophobicContact CG2-CB 4.2Å; I579-V664 HydrophobicContact CG2-CG1 3.79Å; L580-V664 HydrophobicContact CD1-CG1 4.11Å; L580-V664 HydrophobicContact CD2-CG1 4.34Å; L580-V664 HydrophobicContact CG-CG1 4.06Å; L647-V664 HydrophobicContact CD2-CG2 4.23Å; V660-V664 HydrophobicContact CG1-CG2 4.27Å; V660-V664 WeakPolarHBondContact O-CB 3.35Å; V660-V664 VanDerWaalsContact O-CG2 3.25Å; V660-V664 WeakPolarHBondContact O-CG2 3.38Å; V660-V664 PolarHBondContact O-N 3.3Å; K661-V664 PolarHBondContact O-N 2.96Å; V664-L667 PolarHBondContact O-N 3.1Å; V664-Y668 WeakPolarHBondContact O-CB 3.16Å; V664-Y668 PolarHBondContact O-N 2.94Å
665I91.3Very high89.2Confident22 Ų2254 Ų5411%0.11328%0.28CS..Hα-helixtrans-63.9-43.5176.8-67.2166.9000110.8I579 L580 K661 D662 Y668 E669I579-I665 HydrophobicContact CG2-CD1 4.44Å; I579-I665 HydrophobicContact CG2-CG1 3.96Å; L580-I665 HydrophobicContact CD2-CG1 4.46Å; K661-I665 HydrophobicContact CG-CD1 4.12Å; K661-I665 VanDerWaalsContact O-CG1 3.31Å; K661-I665 WeakPolarHBondContact O-CG1 3.44Å; K661-I665 PolarHBondContact O-N 3.44Å; D662-I665 PolarHBondContact O-N 2.94Å; I665-Y668 WeakPolarHBondContact O-CB 3.47Å; I665-Y668 PolarHBondContact O-N 2.98Å; I665-E669 WeakPolarHBondContact CG2-OE1 3.42Å; I665-E669 WeakPolarHBondContact O-CG 3.42Å; I665-E669 PolarHBondContact O-N 2.9Å
666L92.2Very high89.7Confident22 Ų2248.3 Ų48.312%0.11526%0.263CS..Hα-helixtrans-60.2-50.4175.9176.672.4000111.7D662 L663 Y668 E669 T670 M692D662-L666 WeakPolarHBondContact O-CB 3.37Å; D662-L666 PolarHBondContact O-N 3.3Å; L663-L666 HydrophobicContact CD1-CD2 4.23Å; L663-L666 PolarHBondContact O-N 2.98Å; L666-Y668 PolarHBondContact O-N 2.86Å; L666-E669 PolarHBondContact O-N 3.24Å; L666-T670 WeakPolarHBondContact O-CB 3.31Å; L666-T670 PolarHBondContact O-N 2.71Å; L666-T670 PolarHBondContact O-OG1 3.13Å; L666-T670 VanDerWaalsContact O-OG1 3.09Å; L666-M692 HydrophobicContact CD1-CE 3.5Å; L666-M692 HydrophobicContact CD1-SD 4.46Å; L666-M692 HydrophobicContact CD2-CE 3.4Å; L666-M692 VanDerWaalsContact CD2-CE 3.4Å; L666-M692 HydrophobicContact CD2-SD 3.31Å; L666-M692 WeakPolarHBondContact CD2-SD 3.3Å; L666-M692 HydrophobicContact CG-CE 4.05Å; L666-M692 HydrophobicContact CG-SD 4.43Å
667L94.5Very high90.2Very high17 Ų1742.7 Ų42.79%0.08923%0.233CC..Hα-helixtrans-57.2-42178.5-78.3170.9000111.5P597 I643 L647 L663 V664 A671P597-L667 HydrophobicContact CB-CD2 4.45Å; P597-L667 HydrophobicContact CG-CD2 4.1Å; I643-L667 HydrophobicContact CG2-CD1 3.9Å; I643-L667 HydrophobicContact CG2-CD2 4.32Å; L647-L667 HydrophobicContact CD1-CD1 3.33Å; L663-L667 HydrophobicContact CD1-CG 4.43Å; L663-L667 HydrophobicContact CG-CD1 4.28Å; L663-L667 WeakPolarHBondContact O-CB 3.42Å; L663-L667 WeakPolarHBondContact O-CG 3.37Å; L663-L667 PolarHBondContact O-N 3.13Å; V664-L667 PolarHBondContact O-N 3.1Å; L667-A671 WeakPolarHBondContact O-CB 3.23Å; L667-A671 PolarHBondContact O-N 2.94Å
668Y95.1Very high90.4Very high6 Ų644.1 Ų44.12%0.02425%0.246CC..Hα-helixtrans-60.6-49.8175.8169.3-101.7000112.4L580 K583 V584 I600 V664 I665 L666 A671 L672L580-Y668 HydrophobicContact CD1-CD2 3.95Å; L580-Y668 HydrophobicContact CD1-CG 4.04Å; L580-Y668 HydrophobicContact CD2-CD1 4.01Å; L580-Y668 HydrophobicContact CD2-CD2 4.34Å; L580-Y668 HydrophobicContact CD2-CG 3.74Å; K583-Y668 HydrophobicContact CB-CE1 3.85Å; K583-Y668 HydrophobicContact CB-CE2 4.4Å; K583-Y668 HydrophobicContact CD-CD1 4.01Å; K583-Y668 HydrophobicContact CD-CE1 3.63Å; K583-Y668 HydrophobicContact CG-CE1 4.23Å; K583-Y668 PolarHBondContact O-OH 2.81Å; K583-Y668 VanDerWaalsContact O-OH 3.12Å; V584-Y668 HydrophobicContact CG1-CD2 3.75Å; V584-Y668 HydrophobicContact CG1-CE2 3.22Å; I600-Y668 HydrophobicContact CD1-CD2 3.67Å; I600-Y668 HydrophobicContact CD1-CE2 3.6Å; I600-Y668 HydrophobicContact CG1-CE2 4.46Å; V664-Y668 WeakPolarHBondContact O-CB 3.16Å; V664-Y668 PolarHBondContact O-N 2.94Å; I665-Y668 WeakPolarHBondContact O-CB 3.47Å; I665-Y668 PolarHBondContact O-N 2.98Å; L666-Y668 PolarHBondContact O-N 2.86Å; Y668-A671 PolarHBondContact O-N 2.83Å; Y668-L672 HydrophobicContact CD1-CD1 4.05Å; Y668-L672 HydrophobicContact CE1-CD1 3.27Å; Y668-L672 HydrophobicContact CE1-CG 3.93Å; Y668-L672 HydrophobicContact CE2-CD1 4.18Å; Y668-L672 HydrophobicContact CE2-CD2 4.19Å; Y668-L672 HydrophobicContact CE2-CG 3.94Å; Y668-L672 PolarHBondContact O-N 3.33Å; Y668-L672 WeakPolarHBondContact OH-CD1 3.23Å
669E93.9Very high90.8Very high14 Ų1438.1 Ų38.17%0.06522%0.221CC..Hα-helixtrans-67.5-38.7-178.8-70.3172.4-172.500112.4K583 I665 L666 A671 L672 L673 L679 H685 R688K583-E669 IonicContact NZ-OE1 3.43Å; I665-E669 WeakPolarHBondContact CG2-OE1 3.42Å; I665-E669 WeakPolarHBondContact O-CG 3.42Å; I665-E669 PolarHBondContact O-N 2.9Å; L666-E669 PolarHBondContact O-N 3.24Å; E669-A671 VanDerWaalsContact C-N 3.32Å; E669-L672 WeakPolarHBondContact O-CB 3.16Å; E669-L672 PolarHBondContact O-N 2.94Å; E669-L673 PolarHBondContact O-N 2.71Å; E669-L673 VanDerWaalsContact O-N 3.14Å; E669-L679 HydrophobicContact CB-CD2 4.23Å; E669-H685 WeakPolarHBondContact CB-ND1 3.48Å; E669-H685 IonicContact OE2-CE1 3.05Å; E669-H685 IonicContact OE2-CG 2.73Å; E669-H685 IonicContact OE2-ND1 3.98Å; E669-H685 PolarHBondContact OE2-ND1 2.98Å; E669-R688 IonicContact OE1-CZ 2.68Å; E669-R688 IonicContact OE1-NH1 2.78Å; E669-R688 PolarHBondContact OE1-NH1 2.91Å; E669-R688 IonicContact OE1-NH2 3.02Å; E669-R688 IonicContact OE2-CZ 3.49Å; E669-R688 IonicContact OE2-NH1 3.67Å; E669-R688 PolarHBondContact OE2-NH1 2.92Å
670T94.3Very high91.1Very high69 Ų6943.7 Ų43.742%0.42324%0.242SC..Hα-helixtrans-63.9-39.6172.6-580000111.2L666 L673 S674L666-T670 WeakPolarHBondContact O-CB 3.31Å; L666-T670 PolarHBondContact O-N 2.71Å; L666-T670 PolarHBondContact O-OG1 3.13Å; L666-T670 VanDerWaalsContact O-OG1 3.09Å; T670-L673 PolarHBondContact O-N 2.96Å; T670-S674 PolarHBondContact O-N 2.78Å; T670-S674 PolarHBondContact O-OG 2.84Å
671A95.1Very high91.3Very high2 Ų247.1 Ų47.12%0.01726%0.26CS..Hα-helixtrans-68.4-35.117600000112.9I600 L635 L667 Y668 E669 S674 S675I600-A671 HydrophobicContact CD1-CB 4.36Å; I600-A671 HydrophobicContact CG1-CB 3.95Å; L635-A671 HydrophobicContact CD1-CB 4.37Å; L667-A671 WeakPolarHBondContact O-CB 3.23Å; L667-A671 PolarHBondContact O-N 2.94Å; Y668-A671 PolarHBondContact O-N 2.83Å; E669-A671 VanDerWaalsContact C-N 3.32Å; A671-S674 WeakPolarHBondContact CA-OG 3.49Å; A671-S674 PolarHBondContact O-OG 3.36Å; A671-S675 WeakPolarHBondContact O-CB 3.46Å; A671-S675 PolarHBondContact O-N 2.68Å; A671-S675 PolarHBondContact O-OG 2.95Å
672L93.3Very high91.6Very high11 Ų1145.7 Ų45.76%0.05826%0.262CS..Hα-helixtrans-58.5-51172.1-83.1175.2000110.8I600 K633 Y668 E669 S675 G676 F677 L679I600-L672 HydrophobicContact CB-CD2 4.47Å; I600-L672 HydrophobicContact CG1-CD2 3.98Å; I600-L672 HydrophobicContact CG1-CG 4.15Å; I600-L672 HydrophobicContact CG2-CD2 4.16Å; K633-L672 HydrophobicContact CD-CD2 3.83Å; Y668-L672 HydrophobicContact CD1-CD1 4.05Å; Y668-L672 HydrophobicContact CE1-CD1 3.27Å; Y668-L672 HydrophobicContact CE1-CG 3.93Å; Y668-L672 HydrophobicContact CE2-CD1 4.18Å; Y668-L672 HydrophobicContact CE2-CD2 4.19Å; Y668-L672 HydrophobicContact CE2-CG 3.94Å; Y668-L672 PolarHBondContact O-N 3.33Å; Y668-L672 WeakPolarHBondContact OH-CD1 3.23Å; E669-L672 WeakPolarHBondContact O-CB 3.16Å; E669-L672 PolarHBondContact O-N 2.94Å; L672-S675 PolarHBondContact O-N 3.33Å; L672-G676 PolarHBondContact O-N 3.1Å; L672-F677 HydrophobicContact CB-CB 4.39Å; L672-F677 HydrophobicContact CD2-CB 3.92Å; L672-F677 HydrophobicContact CD2-CD2 4.02Å; L672-F677 HydrophobicContact CD2-CG 4.08Å; L672-F677 PolarHBondContact O-N 3.31Å; L672-L679 HydrophobicContact CB-CD2 4.3Å; L672-L679 HydrophobicContact CD1-CD2 4.36Å
673L92.6Very high92Very high100 Ų10047.6 Ų47.652%0.52427%0.269SS..Hα-helixtrans-62.6-48-179.3-178.964.2000111.4E669 T670 S675 G676E669-L673 PolarHBondContact O-N 2.71Å; E669-L673 VanDerWaalsContact O-N 3.14Å; T670-L673 PolarHBondContact O-N 2.96Å; L673-S675 PolarHBondContact O-N 2.94Å; L673-G676 PolarHBondContact O-N 2.77Å
674S93.1Very high92.1Very high75 Ų7547.2 Ų47.252%0.52427%0.269SS..Hα-helixtrans-66.7-21.8179.768.90000113.5T670 A671T670-S674 PolarHBondContact O-N 2.78Å; T670-S674 PolarHBondContact O-OG 2.84Å; A671-S674 WeakPolarHBondContact CA-OG 3.49Å; A671-S674 PolarHBondContact O-OG 3.36Å
675S93.8Very high92Very high15 Ų1548.1 Ų48.111%0.10527%0.273CS..THydrogen-bonded Turntrans-90.12.1174.7-50.80000113.3I600 A609 A671 L672 L673I600-S675 PolarHBondContact N-OG 3.19Å; I600-S675 WeakPolarHBondContact O-CB 3.36Å; I600-S675 PolarHBondContact O-OG 3.03Å; A609-S675 WeakPolarHBondContact CB-O 2.89Å; A671-S675 WeakPolarHBondContact O-CB 3.46Å; A671-S675 PolarHBondContact O-N 2.68Å; A671-S675 PolarHBondContact O-OG 2.95Å; L672-S675 PolarHBondContact O-N 3.33Å; L673-S675 PolarHBondContact O-N 2.94Å
676G91.1Very high92Very high25 Ų2548.1 Ų48.126%0.25828%0.277SS..THydrogen-bonded Turntrans87.212.717400000115.6L672 L673L672-G676 PolarHBondContact O-N 3.1Å; L673-G676 PolarHBondContact O-N 2.77Å
677F91.3Very high91.9Very high10 Ų1050 Ų504%0.04429%0.287CS..PPolyproline II helixtrans-85.5147.6174.8-66.7-83.3000111.8I600 T602 A609 K633 L672I600-F677 HydrophobicContact CB-CD2 4.29Å; I600-F677 HydrophobicContact CB-CE2 3.99Å; I600-F677 HydrophobicContact CG2-CD2 4.01Å; I600-F677 HydrophobicContact CG2-CE2 3.48Å; I600-F677 VanDerWaalsContact CG2-CE2 3.48Å; I600-F677 HydrophobicContact CG2-CZ 4.15Å; T602-F677 HydrophobicContact CG2-CE1 4.06Å; T602-F677 HydrophobicContact CG2-CZ 3.47Å; T602-F677 VanDerWaalsContact CG2-CZ 3.47Å; A609-F677 HydrophobicContact CB-CD1 3.79Å; A609-F677 HydrophobicContact CB-CD2 3.9Å; A609-F677 HydrophobicContact CB-CE1 3.67Å; A609-F677 HydrophobicContact CB-CE2 3.78Å; A609-F677 HydrophobicContact CB-CG 3.93Å; A609-F677 HydrophobicContact CB-CZ 3.7Å; K633-F677 HydrophobicContact CD-CD1 4.38Å; K633-F677 HydrophobicContact CD-CE1 4.23Å; K633-F677 HydrophobicContact CD-CZ 4.35Å; K633-F677 VanDerWaalsContact CE-CE1 3.47Å; K633-F677 HydrophobicContact CG-CE1 4.31Å; K633-F677 HydrophobicContact CG-CZ 4.19Å; L672-F677 HydrophobicContact CB-CB 4.39Å; L672-F677 HydrophobicContact CD2-CB 3.92Å; L672-F677 HydrophobicContact CD2-CD2 4.02Å; L672-F677 HydrophobicContact CD2-CG 4.08Å; L672-F677 PolarHBondContact O-N 3.31Å
678S87.5Confident91.6Very high74 Ų7451.2 Ų51.252%0.51729%0.29SS..PPolyproline II helixtrans-69.8137168.3-49.70000110.6
679L88.7Confident91.3Very high34 Ų3453.8 Ų53.818%0.17830%0.304CS..PPolyproline II helixtrans-71.5137.3168.9-63.7174.4000109.6E669 L672 D681 P682 H685E669-L679 HydrophobicContact CB-CD2 4.23Å; L672-L679 HydrophobicContact CB-CD2 4.3Å; L672-L679 HydrophobicContact CD1-CD2 4.36Å; L679-D681 VanDerWaalsContact C-N 3.34Å; L679-P682 HydrophobicContact CB-CG 4.26Å; L679-H685 HydrophobicContact CD1-CB 3.95Å
680E85.8Confident91.1Very high168 Ų16859.3 Ų59.379%0.78533%0.325SS*.SBendtrans-64-41.8175.8-68.3171.6-179.500111.3
681D90.6Very high90.6Very high75 Ų7563 Ų6340%0.40133%0.331SS..  trans-137.395.1175.6-179.7-1.6000110.2L679 Q683 T684 H685L679-D681 VanDerWaalsContact C-N 3.34Å; D681-Q683 PolarHBondContact O-N 2.83Å; D681-Q683 WeakPolarHBondContact OD1-CA 3.34Å; D681-Q683 VanDerWaalsContact OD1-CB 3.3Å; D681-Q683 WeakPolarHBondContact OD1-CB 3.42Å; D681-Q683 PolarHBondContact OD1-N 2.84Å; D681-T684 PolarHBondContact O-N 3.09Å; D681-T684 PolarHBondContact OD1-N 2.79Å; D681-T684 VanDerWaalsContact OD1-N 3.08Å; D681-T684 WeakPolarHBondContact OD2-CB 3.44Å; D681-T684 PolarHBondContact OD2-OG1 3.01Å; D681-H685 PolarHBondContact O-N 2.73Å
682P92.7Very high90Very high83 Ų8366.5 Ų66.554%0.53935%0.348SS..Hα-helixtrans-59.2-29.3175-24.233.9000113.7L679 H685 A686L679-P682 HydrophobicContact CB-CG 4.26Å; P682-H685 PolarHBondContact O-N 2.92Å; P682-A686 WeakPolarHBondContact O-CB 3.28Å; P682-A686 PolarHBondContact O-N 2.64Å
683Q93.3Very high89.7Confident111 Ų11170.1 Ų70.152%0.51937%0.367SS..Hα-helixtrans-72.5-42.1-178-173.362.352.900111D681 H685 A686 N687D681-Q683 PolarHBondContact O-N 2.83Å; D681-Q683 WeakPolarHBondContact OD1-CA 3.34Å; D681-Q683 VanDerWaalsContact OD1-CB 3.3Å; D681-Q683 WeakPolarHBondContact OD1-CB 3.42Å; D681-Q683 PolarHBondContact OD1-N 2.84Å; Q683-H685 VanDerWaalsContact C-N 3.3Å; Q683-H685 PolarHBondContact O-N 3.28Å; Q683-A686 PolarHBondContact O-N 2.77Å; Q683-N687 PolarHBondContact NE2-OD1 2.85Å; Q683-N687 WeakPolarHBondContact O-CB 3.27Å; Q683-N687 PolarHBondContact O-N 3.02Å; Q683-N687 PolarHBondContact O-ND2 2.94Å; Q683-N687 PolarHBondContact O-OD1 3.37Å
684T91.1Very high89.4Confident58 Ų5869.4 Ų69.436%0.35636%0.36SS..Hα-helixtrans-62-39.1174.2-73.10000111.8D681 N687 R688D681-T684 PolarHBondContact O-N 3.09Å; D681-T684 PolarHBondContact OD1-N 2.79Å; D681-T684 VanDerWaalsContact OD1-N 3.08Å; D681-T684 WeakPolarHBondContact OD2-CB 3.44Å; D681-T684 PolarHBondContact OD2-OG1 3.01Å; T684-N687 PolarHBondContact O-N 3.18Å; T684-R688 PolarHBondContact O-N 3.3Å; T684-R688 VanDerWaalsContact O-N 3.14Å
685H91.3Very high88.9Confident19 Ų1972.1 Ų72.19%0.08837%0.367CS..Hα-helixtrans-61.6-49.1173.9-176.465.7000111.7E669 L679 D681 P682 Q683 N687 R688 I689E669-H685 WeakPolarHBondContact CB-ND1 3.48Å; E669-H685 IonicContact OE2-CE1 3.05Å; E669-H685 IonicContact OE2-CG 2.73Å; E669-H685 IonicContact OE2-ND1 3.98Å; E669-H685 PolarHBondContact OE2-ND1 2.98Å; L679-H685 HydrophobicContact CD1-CB 3.95Å; D681-H685 PolarHBondContact O-N 2.73Å; P682-H685 PolarHBondContact O-N 2.92Å; Q683-H685 VanDerWaalsContact C-N 3.3Å; Q683-H685 PolarHBondContact O-N 3.28Å; H685-N687 PolarHBondContact O-N 2.83Å; H685-R688 WeakPolarHBondContact O-CB 3.49Å; H685-R688 PolarHBondContact O-N 2.86Å; H685-I689 PolarHBondContact O-N 3.29Å; H685-I689 VanDerWaalsContact O-N 3.14Å
686A91.9Very high88.5Confident22 Ų2274.8 Ų74.818%0.18240%0.397CS..Hα-helixtrans-60.3-43.2177.800000112P682 Q683 R688 I689 Y690P682-A686 WeakPolarHBondContact O-CB 3.28Å; P682-A686 PolarHBondContact O-N 2.64Å; Q683-A686 PolarHBondContact O-N 2.77Å; A686-R688 VanDerWaalsContact C-N 3.27Å; A686-R688 PolarHBondContact O-N 2.8Å; A686-I689 WeakPolarHBondContact O-CA 3.13Å; A686-I689 WeakPolarHBondContact O-CB 3.09Å; A686-I689 PolarHBondContact O-N 3.31Å; A686-I689 VanDerWaalsContact O-N 3.08Å; A686-Y690 HydrophobicContact CB-CE2 3.95Å; A686-Y690 VanDerWaalsContact O-CD2 3.26Å; A686-Y690 WeakPolarHBondContact O-CD2 3.39Å; A686-Y690 VanDerWaalsContact O-CG 3.26Å; A686-Y690 PolarHBondContact O-N 2.8Å
687N89.5Confident88.5Confident63 Ų6379.4 Ų79.434%0.33742%0.415SS..Hα-helixtrans-59.2-37.8176.9-71.4-15.1000112.2Q683 T684 H685 Y690 R691Q683-N687 PolarHBondContact NE2-OD1 2.85Å; Q683-N687 WeakPolarHBondContact O-CB 3.27Å; Q683-N687 PolarHBondContact O-N 3.02Å; Q683-N687 PolarHBondContact O-ND2 2.94Å; Q683-N687 PolarHBondContact O-OD1 3.37Å; T684-N687 PolarHBondContact O-N 3.18Å; H685-N687 PolarHBondContact O-N 2.83Å; N687-Y690 PolarHBondContact O-N 2.97Å; N687-R691 WeakPolarHBondContact O-CG 3.46Å; N687-R691 PolarHBondContact O-N 3.03Å
688R87.6Confident88.3Confident41 Ų4182.2 Ų82.216%0.15545%0.447CS..Hα-helixtrans-67-39.3175.2-168.1173.2-63.7102.3-0.9111.9E669 T684 H685 A686 R691 M692E669-R688 IonicContact OE1-CZ 2.68Å; E669-R688 IonicContact OE1-NH1 2.78Å; E669-R688 PolarHBondContact OE1-NH1 2.91Å; E669-R688 IonicContact OE1-NH2 3.02Å; E669-R688 IonicContact OE2-CZ 3.49Å; E669-R688 IonicContact OE2-NH1 3.67Å; E669-R688 PolarHBondContact OE2-NH1 2.92Å; T684-R688 PolarHBondContact O-N 3.3Å; T684-R688 VanDerWaalsContact O-N 3.14Å; H685-R688 WeakPolarHBondContact O-CB 3.49Å; H685-R688 PolarHBondContact O-N 2.86Å; A686-R688 VanDerWaalsContact C-N 3.27Å; A686-R688 PolarHBondContact O-N 2.8Å; R688-R691 PolarHBondContact O-N 3.2Å; R688-M692 WeakPolarHBondContact O-CG 3.4Å; R688-M692 PolarHBondContact O-N 2.92Å; R688-M692 VanDerWaalsContact O-N 3.09Å
689I89.6Confident88Confident60 Ų6081.6 Ų81.631%0.30844%0.437SS..Hα-helixtrans-62.3-46.9172.4-65.2170.8000110.5H685 A686 R691 M692 I693H685-I689 PolarHBondContact O-N 3.29Å; H685-I689 VanDerWaalsContact O-N 3.14Å; A686-I689 WeakPolarHBondContact O-CA 3.13Å; A686-I689 WeakPolarHBondContact O-CB 3.09Å; A686-I689 PolarHBondContact O-N 3.31Å; A686-I689 VanDerWaalsContact O-N 3.08Å; I689-R691 VanDerWaalsContact C-N 3.31Å; I689-R691 PolarHBondContact O-N 3.27Å; I689-M692 HydrophobicContact CB-CE 4.42Å; I689-M692 HydrophobicContact CG1-CE 4.1Å; I689-M692 PolarHBondContact O-N 3.45Å; I689-M692 VanDerWaalsContact O-N 3.1Å; I689-I693 HydrophobicContact CG2-CD1 3.71Å; I689-I693 HydrophobicContact CG2-CG1 4.24Å; I689-I693 WeakPolarHBondContact O-CG1 3.3Å; I689-I693 PolarHBondContact O-N 3.37Å
690Y89.3Confident86.9Confident131 Ų13186 Ų8651%0.51446%0.461SS..Hα-helixtrans-59.3-40.7177.8-59.4-36.4000112.3A686 N687 I693 K694A686-Y690 HydrophobicContact CB-CE2 3.95Å; A686-Y690 VanDerWaalsContact O-CD2 3.26Å; A686-Y690 WeakPolarHBondContact O-CD2 3.39Å; A686-Y690 VanDerWaalsContact O-CG 3.26Å; A686-Y690 PolarHBondContact O-N 2.8Å; N687-Y690 PolarHBondContact O-N 2.97Å; Y690-I693 PolarHBondContact O-N 2.95Å; Y690-K694 WeakPolarHBondContact O-CB 3.33Å; Y690-K694 WeakPolarHBondContact O-CG 3.43Å; Y690-K694 PolarHBondContact O-N 3.34Å
691R82.8Confident85.6Confident146 Ų14684.2 Ų84.255%0.55145%0.453SS*.Hα-helixtrans-61.5-42.6173.4-73.1-178.7-170.8157.53.2112.5N687 R688 I689 K694 L695 E701N687-R691 WeakPolarHBondContact O-CG 3.46Å; N687-R691 PolarHBondContact O-N 3.03Å; R688-R691 PolarHBondContact O-N 3.2Å; I689-R691 VanDerWaalsContact C-N 3.31Å; I689-R691 PolarHBondContact O-N 3.27Å; R691-K694 WeakPolarHBondContact O-CB 3.4Å; R691-K694 PolarHBondContact O-N 3.33Å; R691-L695 WeakPolarHBondContact O-CG 3.43Å; R691-L695 PolarHBondContact O-N 2.79Å; R691-E701 IonicContact NE-OE1 3.34Å
692M83Confident83.8Confident76 Ų7687.3 Ų87.337%0.37447%0.469SS..Hα-helixtrans-67.1-37.1176.1-70.3-173-65.600113.1L666 R688 I689 L695 G696L666-M692 HydrophobicContact CD1-CE 3.5Å; L666-M692 HydrophobicContact CD1-SD 4.46Å; L666-M692 HydrophobicContact CD2-CE 3.4Å; L666-M692 VanDerWaalsContact CD2-CE 3.4Å; L666-M692 HydrophobicContact CD2-SD 3.31Å; L666-M692 WeakPolarHBondContact CD2-SD 3.3Å; L666-M692 HydrophobicContact CG-CE 4.05Å; L666-M692 HydrophobicContact CG-SD 4.43Å; R688-M692 WeakPolarHBondContact O-CG 3.4Å; R688-M692 PolarHBondContact O-N 2.92Å; R688-M692 VanDerWaalsContact O-N 3.09Å; I689-M692 HydrophobicContact CB-CE 4.42Å; I689-M692 HydrophobicContact CG1-CE 4.1Å; I689-M692 PolarHBondContact O-N 3.45Å; I689-M692 VanDerWaalsContact O-N 3.1Å; M692-L695 PolarHBondContact O-N 3.29Å; M692-G696 PolarHBondContact O-N 3.23Å
693I87.8Confident81.7Confident87 Ų8787.1 Ų87.145%0.44646%0.463SS..Hα-helixtrans-64.2-45.4174.2-68.3170.3000109.6I689 Y690 L695 G696 L697I689-I693 HydrophobicContact CG2-CD1 3.71Å; I689-I693 HydrophobicContact CG2-CG1 4.24Å; I689-I693 WeakPolarHBondContact O-CG1 3.3Å; I689-I693 PolarHBondContact O-N 3.37Å; Y690-I693 PolarHBondContact O-N 2.95Å; I693-L695 PolarHBondContact O-N 3.46Å; I693-G696 PolarHBondContact O-N 3.2Å; I693-L697 HydrophobicContact CG2-CD1 3.65Å; I693-L697 HydrophobicContact CG2-CG 4.23Å; I693-L697 WeakPolarHBondContact O-CB 3.44Å; I693-L697 VanDerWaalsContact O-CG 3.28Å; I693-L697 WeakPolarHBondContact O-CG 3.49Å; I693-L697 PolarHBondContact O-N 3.16Å
694K86.3Confident79.5Confident85 Ų8587.7 Ų87.737%0.3748%0.477SS..Hα-helixtrans-55.4-49.4174.1-76-176.6177.3-164.60111.4Y690 R691 G696 L697 G698 I699Y690-K694 WeakPolarHBondContact O-CB 3.33Å; Y690-K694 WeakPolarHBondContact O-CG 3.43Å; Y690-K694 PolarHBondContact O-N 3.34Å; R691-K694 WeakPolarHBondContact O-CB 3.4Å; R691-K694 PolarHBondContact O-N 3.33Å; K694-G696 PolarHBondContact O-N 3.49Å; K694-L697 CarbonylContact O-C 3.56Å; K694-L697 PolarHBondContact O-N 2.94Å; K694-G698 PolarHBondContact O-N 3.02Å; K694-I699 HydrophobicContact CB-CB 4.03Å; K694-I699 HydrophobicContact CB-CG2 4.47Å; K694-I699 HydrophobicContact CD-CG2 4.39Å; K694-I699 HydrophobicContact CG-CB 4.14Å; K694-I699 HydrophobicContact CG-CD1 4.45Å; K694-I699 HydrophobicContact CG-CG2 4.15Å; K694-I699 PolarHBondContact O-N 3.02Å
695L81.1Confident77.5Confident132 Ų13290.5 Ų90.569%0.69149%0.494SS*.Hα-helixtrans-59.8-43.4176.1-71.4170000112.7R691 M692 I693 L697 G698R691-L695 WeakPolarHBondContact O-CG 3.43Å; R691-L695 PolarHBondContact O-N 2.79Å; M692-L695 PolarHBondContact O-N 3.29Å; I693-L695 PolarHBondContact O-N 3.46Å; L695-L697 VanDerWaalsContact C-N 3.29Å; L695-L697 PolarHBondContact O-N 3.39Å; L695-G698 PolarHBondContact O-N 3.35Å
696G87.2Confident74.9Confident71 Ų7193.9 Ų93.973%0.73253%0.526SS*.Hα-helixtrans-68.8-25.7178.500000114M692 I693 K694M692-G696 PolarHBondContact O-N 3.23Å; I693-G696 PolarHBondContact O-N 3.2Å; K694-G696 PolarHBondContact O-N 3.49Å
697L90.6Very high72.1Confident122 Ų122100.2 Ų100.264%0.63956%0.556SS**Hα-helixtrans-93.7-3176-65.4177.8000113.3I693 K694 L695 I699I693-L697 HydrophobicContact CG2-CD1 3.65Å; I693-L697 HydrophobicContact CG2-CG 4.23Å; I693-L697 WeakPolarHBondContact O-CB 3.44Å; I693-L697 VanDerWaalsContact O-CG 3.28Å; I693-L697 WeakPolarHBondContact O-CG 3.49Å; I693-L697 PolarHBondContact O-N 3.16Å; K694-L697 CarbonylContact O-C 3.56Å; K694-L697 PolarHBondContact O-N 2.94Å; L695-L697 VanDerWaalsContact C-N 3.29Å; L695-L697 PolarHBondContact O-N 3.39Å; L697-I699 VanDerWaalsContact C-N 3.29Å; L697-I699 HydrophobicContact CB-CD1 3.97Å; L697-I699 HydrophobicContact CB-CG1 3.98Å; L697-I699 HydrophobicContact CD1-CD1 4.05Å; L697-I699 PolarHBondContact O-N 3.36Å
698G85.9Confident69.3Low68 Ų68104.4 Ų104.470%0.70158%0.578SS**THydrogen-bonded Turntrans68.924.8-176.500000114.1K694 L695 D700K694-G698 PolarHBondContact O-N 3.02Å; L695-G698 PolarHBondContact O-N 3.35Å; G698-D700 PolarHBondContact O-N 3.06Å
699I81.2Confident66.7Low61 Ų61109.1 Ų109.131%0.31361%0.612SS.*  trans-83.4108.7174-56.8170.7000106.9K694 L697 D703K694-I699 HydrophobicContact CB-CB 4.03Å; K694-I699 HydrophobicContact CB-CG2 4.47Å; K694-I699 HydrophobicContact CD-CG2 4.39Å; K694-I699 HydrophobicContact CG-CB 4.14Å; K694-I699 HydrophobicContact CG-CD1 4.45Å; K694-I699 HydrophobicContact CG-CG2 4.15Å; K694-I699 PolarHBondContact O-N 3.02Å; L697-I699 VanDerWaalsContact C-N 3.29Å; L697-I699 HydrophobicContact CB-CD1 3.97Å; L697-I699 HydrophobicContact CB-CG1 3.98Å; L697-I699 HydrophobicContact CD1-CD1 4.05Å; L697-I699 PolarHBondContact O-N 3.36Å; I699-D703 HydrophobicContact CG2-CB 4.33Å
700D66.6Low64Low128 Ų128112.1 Ų112.168%0.68464%0.638SS**  trans-60.6145.9175-112.8-28.4000110.3G698 D702 D703G698-D700 PolarHBondContact O-N 3.06Å; D700-D702 PolarHBondContact O-N 3.2Å; D700-D703 PolarHBondContact O-N 3.2Å
701E57.9Low61.1Low130 Ų130110.6 Ų110.661%0.60765%0.653SS**THydrogen-bonded Turntrans-61.5-13.5177.9-72.5-163.814500112.5R691R691-E701 IonicContact NE-OE1 3.34Å
702D53.7Low58.6Low140 Ų140107.6 Ų107.675%0.74966%0.66SS**THydrogen-bonded Turntrans-95.220.5-179.7-65.2-38.6000114.8D700 P704D700-D702 PolarHBondContact O-N 3.2Å; D702-P704 WeakPolarHBondContact O-CD 3.42Å; D702-P704 VanDerWaalsContact O-N 3.14Å
703D47.3Very low56.2Low78 Ų78110 Ų11042%0.41768%0.678SS.*  trans-59.5113.7173.8-168.8-17000111.1I699 D700 T705I699-D703 HydrophobicContact CG2-CB 4.33Å; D700-D703 PolarHBondContact O-N 3.2Å; D703-T705 VanDerWaalsContact CG-OG1 3.23Å; D703-T705 PolarHBondContact O-N 3.18Å; D703-T705 PolarHBondContact OD1-N 3.2Å; D703-T705 PolarHBondContact OD1-OG1 2.93Å; D703-T705 PolarHBondContact OD2-OG1 3.16Å
704P48.3Very low53.4Low123 Ų123112.1 Ų112.180%0.79970%0.695SS**THydrogen-bonded Turntrans-72.48.3-173.2-13.228.5000115D702D702-P704 WeakPolarHBondContact O-CD 3.42Å; D702-P704 VanDerWaalsContact O-N 3.14Å
705T48.9Very low50.9Low118 Ų118115.9 Ų115.972%0.72471%0.714SS**THydrogen-bonded Turntrans-92.44.9-173.555.10000114.7D703D703-T705 VanDerWaalsContact CG-OG1 3.23Å; D703-T705 PolarHBondContact O-N 3.18Å; D703-T705 PolarHBondContact OD1-N 3.2Å; D703-T705 PolarHBondContact OD1-OG1 2.93Å; D703-T705 PolarHBondContact OD2-OG1 3.16Å
706A37.3Very low48.4Very low90 Ų90118.4 Ų118.474%0.74472%0.723SS**SBendtrans-97.996.1167.600000110.4
707D32.4Very low45.9Very low155 Ų155122.2 Ų122.283%0.82972%0.723SS**  trans-50.5148.1171.3-120.7-20.3000112.5T709D707-T709 PolarHBondContact O-N 3.35Å
708D31.6Very low43.3Very low150 Ų150121.3 Ų121.380%0.80272%0.724SS**SBendtrans-28.5119.2167.6-94.1-43.3000114.3
709T31.2Very low40.9Very low140 Ų140123.6 Ų123.686%0.85973%0.727SS**  trans168.670.4142.334.80000112D707D707-T709 PolarHBondContact O-N 3.35Å
710S33.7Very low39Very low123 Ų123128.6 Ų128.686%0.8675%0.754SS**  trans-16555.8146.953.10000111.2
711A29.2Very low37.5Very low99 Ų99131.2 Ų131.282%0.81876%0.761SS**  trans-69.9131.6156.700000108.8
712A29.3Very low36.3Very low84 Ų84128.4 Ų128.469%0.69477%0.767SS**  trans72.996.1163.500000118.5
713V32.4Very low35.4Very low126 Ų126129.3 Ų129.376%0.76477%0.772SS**  -140.373127.9-168.60000108.2E715V713-E715 VanDerWaalsContact C-N 3.31Å; V713-E715 HydrophobicContact CG1-CB 4.26Å; V713-E715 HydrophobicContact CG1-CG 3.72Å; V713-E715 PolarHBondContact O-N 2.95Å
714T30.3Very low34.6Very low132 Ų132132.6 Ų132.681%0.8179%0.79SS**  trans-76.690.7149.339.80000106.3E716T714-E716 VanDerWaalsContact C-N 3.34Å; T714-E716 PolarHBondContact O-N 3.5Å
715E32.4Very low34.2Very low163 Ų163133.3 Ų133.376%0.76279%0.787SS**  trans-8092.2162.3-89.9-175.3-175.200107.9V713 M717V713-E715 VanDerWaalsContact C-N 3.31Å; V713-E715 HydrophobicContact CG1-CB 4.26Å; V713-E715 HydrophobicContact CG1-CG 3.72Å; V713-E715 PolarHBondContact O-N 2.95Å; E715-M717 PolarHBondContact O-N 2.91Å
716E30Very low33.4Very low186 Ų186133.7 Ų133.787%0.86979%0.789SS**  trans-55.597.6144.8-79.1-176148.100107T714 P718T714-E716 VanDerWaalsContact C-N 3.34Å; T714-E716 PolarHBondContact O-N 3.5Å; E716-P718 WeakPolarHBondContact O-CD 3.34Å
717M34.2Very low33.5Very low151 Ų151133.6 Ų133.674%0.74478%0.783SS**PPolyproline II helixtrans-60.9123.5158.1-87178.756.100107.1E715E715-M717 PolarHBondContact O-N 2.91Å
718P36.6Very low33.8Very low102 Ų102136.9 Ų136.966%0.66278%0.784SS**PPolyproline II helixtrans-63148.9172.422.9-23.3000108.5E716 L720E716-P718 WeakPolarHBondContact O-CD 3.34Å; P718-L720 PolarHBondContact O-N 2.98Å
719P35.5Very low34.1Very low116 Ų116137.5 Ų137.575%0.75378%0.784SS**PPolyproline II helixtrans-61117.3171.426.6-29.1000106.7E721P719-E721 VanDerWaalsContact C-N 3.29Å; P719-E721 PolarHBondContact O-N 2.97Å
720L41Very low34.6Very low167 Ų167139.8 Ų139.887%0.87479%0.785SS**  trans-63.7102164.8-93.3157.8000106.1P718P718-L720 PolarHBondContact O-N 2.98Å
721E34.9Very low34.9Very low182 Ų182142.6 Ų142.685%0.8579%0.785SS**  trans-51.3145.7167.7-68.9-175.6148.900109.6P719P719-E721 VanDerWaalsContact C-N 3.29Å; P719-E721 PolarHBondContact O-N 2.97Å
722G31.5Very low35.7Very low71 Ų71144 Ų14473%0.73278%0.783SS**  trans-60.8147.5-168.900000114.5
723D35.2Very low36.4Very low160 Ų160151 Ų15186%0.85681%0.809SS**  trans-108.299.6139.7-89.9-31.6000107.1D725D723-D725 PolarHBondContact O-N 3.2Å
724D31.9Very low36.6Very low146 Ų146152.3 Ų152.378%0.78181%0.811SS**  trans-55.8103.3146.7-106.9-31.2000106.8
725D38.9Very low36.9Very low138 Ų138153.4 Ų153.474%0.73881%0.811SS**  trans-130.174.4157.4-123.1-20.4000110.4D723 S727D723-D725 PolarHBondContact O-N 3.2Å; D725-S727 PolarHBondContact O-N 3.42Å
726T32.9Very low37.2Very low126 Ų126152.8 Ų152.877%0.77381%0.814SS**  trans-81.189.915937.50000109
727S38.8Very low37.6Very low89 Ų89150.9 Ų150.962%0.62281%0.811SS**  trans-155.9106.6156.859.90000110.9D725D725-S727 PolarHBondContact O-N 3.42Å
728R39.2Very low37.8Very low223 Ų223150.9 Ų150.984%0.84282%0.815SS**  67.1113113.2-90.7177.6136.1152.9-5.1114.4
729M37.4Very low37.9Very low163 Ų163154.1 Ų154.180%0.80383%0.825SS**  55.7119.3106.6-72.4-176.9177.600111.8
730E41Very low38Very low188 Ų188156.9 Ų156.988%0.87983%0.83SS**  -162152.864-78.4176.115100111.5
731E39.9Very low37.8Very low183 Ų183156.1 Ų156.186%0.85583%0.827SS**  trans-51.3147.3160.6-58.9167.8148.100111.6
732V46.1Very low38.1Very low128 Ų128153.9 Ų153.978%0.77683%0.825SS**  -163.5126.3124.9-174.20000109.6
733D44Very low38.7Very low232 Ų232161.5 Ų161.5100%1.24183%0.833SS**  trans61.50162-64.3-21.1000122.7

Retrieved 733 of 733 residues in 1701.1 ms (Link to these results)

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