A0A096MA29_POEFO Loading...

Sperm microtubule associated protein 2

AlphaFold DB , UniProt , Accession A0A096MA29, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 191 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
1K34.7Very low39.4Very low264 Ų264161.7 Ų161.7100%1.14882%0.823SS**  098.10-80.4173.6175.61710107.6S3K1-S3 PolarHBondContact O-N 3.15Å
2V31.7Very low40.2Very low141 Ų141158.2 Ų158.286%0.85582%0.815SS**  trans-83.3107.8-177.9-179.90000107.4L4V2-L4 PolarHBondContact O-N 3.04Å
3S30.5Very low41.7Very low101 Ų101155 Ų15571%0.70681%0.811SS**  trans-78.1107.2172.3171.90000107.8K1 S5K1-S3 PolarHBondContact O-N 3.15Å; S3-S5 VanDerWaalsContact C-N 3.29Å; S3-S5 PolarHBondContact O-N 3.43Å
4L42.3Very low43.3Very low155 Ų155156.2 Ų156.281%0.81282%0.816SS**  trans-66.792.1165.8-74.3165.8000108.1V2 F6V2-L4 PolarHBondContact O-N 3.04Å; L4-F6 PolarHBondContact O-N 3.04Å; L4-F6 VanDerWaalsContact O-N 3.11Å
5S40.2Very low44.9Very low99 Ų99152.1 Ų152.169%0.69281%0.805SS**  trans-67.5104.4166.938.30000108.1S3 L7S3-S5 VanDerWaalsContact C-N 3.29Å; S3-S5 PolarHBondContact O-N 3.43Å; S5-L7 PolarHBondContact O-N 3.31Å
6F36.8Very low47Very low207 Ų207155.8 Ų155.891%0.90881%0.812SS**  trans-47.9113.6164-98.2-105.2000108.8L4 S8L4-F6 PolarHBondContact O-N 3.04Å; L4-F6 VanDerWaalsContact O-N 3.11Å; F6-S8 VanDerWaalsContact C-N 3.31Å; F6-S8 PolarHBondContact O-N 3.08Å
7L39.5Very low49Very low151 Ų151153.1 Ų153.179%0.79180%0.798SS**  trans-67.193.6175.6-145.385.2000107.4S5 F9S5-L7 PolarHBondContact O-N 3.31Å; L7-F9 PolarHBondContact O-N 2.92Å
8S40.4Very low51.1Low84 Ų84148.4 Ų148.459%0.58778%0.78SS**  trans-57.9111.9164.8174.60000106.8F6 R10F6-S8 VanDerWaalsContact C-N 3.31Å; F6-S8 PolarHBondContact O-N 3.08Å; S8-R10 PolarHBondContact O-N 3.18Å
9F41.1Very low53Low193 Ų193149.4 Ų149.485%0.84678%0.778SS**  trans-59.687.1165.1-83.9-90.5000107.9L7 L11L7-F9 PolarHBondContact O-N 2.92Å; F9-L11 PolarHBondContact O-N 3.21Å; F9-L11 VanDerWaalsContact O-N 3.13Å
10R45.5Very low54.5Low210 Ų210153.4 Ų153.479%0.79278%0.782SS**  trans-62.4109.2163.8-67.9-81.1-161.6-142.81.5105.4S8 T12S8-R10 PolarHBondContact O-N 3.18Å; R10-T12 PolarHBondContact O-N 3.19Å
11L51.1Low55.9Low174 Ų174148.9 Ų148.991%0.91177%0.768SS**  trans-51.9111.1159.7-64.3170.4000106F9F9-L11 PolarHBondContact O-N 3.21Å; F9-L11 VanDerWaalsContact O-N 3.13Å
12T48.3Very low58.3Low119 Ų119142 Ų14273%0.7374%0.743SS**  trans-62.4148.8179.642.60000109.4R10 I14R10-T12 PolarHBondContact O-N 3.19Å; T12-I14 PolarHBondContact O-N 2.96Å
13P59.8Low60.9Low117 Ų117141.8 Ų141.876%0.7673%0.732SS**  trans-56.6136.9171.223.8-32.1000109.3S15P13-S15 PolarHBondContact O-N 3.24Å
14I64.3Low63.7Low172 Ų172140.4 Ų140.488%0.88273%0.727SS**  trans-52.3105.1177.8-62.5163000107.8T12T12-I14 PolarHBondContact O-N 2.96Å
15S67.1Low65.9Low94 Ų94142 Ų14266%0.65773%0.728SS**  trans-73140178.157.60000109.1P13 I17P13-S15 PolarHBondContact O-N 3.24Å; S15-I17 PolarHBondContact O-N 3.02Å; S15-I17 VanDerWaalsContact O-N 3.13Å
16K78.2Confident68.4Low211 Ų211141.2 Ų141.292%0.91772%0.72SS**  trans-68.7111.2174.1-68.9-177.5-179.7178.30108.4
17I80.8Confident71.1Confident111 Ų111134.6 Ų134.657%0.56970%0.7SS**  trans-69.4139.4176.1-57.2172.2000108.6S15 A21 L22S15-I17 PolarHBondContact O-N 3.02Å; S15-I17 VanDerWaalsContact O-N 3.13Å; I17-A21 HydrophobicContact CG2-CB 3.61Å; I17-L22 HydrophobicContact CB-CD2 4.38Å; I17-L22 HydrophobicContact CG2-CD2 3.98Å; I17-L22 HydrophobicContact CG2-CG 4.09Å
18S87.3Confident73.7Confident69 Ų69134.9 Ų134.948%0.48370%0.697SS.*  trans-69.315117870.80000111.2W20 A21 L22S18-W20 PolarHBondContact O-N 3.34Å; S18-A21 PolarHBondContact O-N 3.35Å; S18-A21 VanDerWaalsContact O-N 3.11Å; S18-A21 WeakPolarHBondContact OG-CB 3.35Å; S18-A21 PolarHBondContact OG-N 2.92Å; S18-L22 PolarHBondContact O-N 3.4Å
19K86.8Confident76.3Confident167 Ų167139.1 Ų139.173%0.72670%0.7SS**Hα-helixtrans-56.1-36.9177.8-63.9-174.5-177.6-179.30112L22 H23K19-L22 WeakPolarHBondContact O-CB 3.37Å; K19-L22 PolarHBondContact O-N 3.47Å; K19-H23 PolarHBondContact O-CD2 3.31Å; K19-H23 PolarHBondContact O-N 3.2Å
20W83.8Confident78.9Confident229 Ų229133.5 Ų133.587%0.86768%0.681SS**Hα-helixtrans-67.6-37.3178.8-63.9-13.9000113.4S18 L22 H23 A24S18-W20 PolarHBondContact O-N 3.34Å; W20-L22 VanDerWaalsContact C-N 3.26Å; W20-L22 PolarHBondContact O-N 3.4Å; W20-H23 CarbonylContact O-C 3.5Å; W20-H23 PolarHBondContact O-N 2.66Å; W20-A24 PolarHBondContact O-N 2.81Å; W20-A24 VanDerWaalsContact O-N 3.08Å
21A84.6Confident81.2Confident58 Ų58126.1 Ų126.148%0.47966%0.661SS.*Hα-helixtrans-66.9-29.9175.600000112I17 S18 H23I17-A21 HydrophobicContact CG2-CB 3.61Å; S18-A21 PolarHBondContact O-N 3.35Å; S18-A21 VanDerWaalsContact O-N 3.11Å; S18-A21 WeakPolarHBondContact OG-CB 3.35Å; S18-A21 PolarHBondContact OG-N 2.92Å; A21-H23 VanDerWaalsContact C-N 3.34Å
22L83.1Confident83.2Confident121 Ų121123.8 Ų123.863%0.63465%0.646SS**Hα-helixtrans-71.8-26.8173.5-63.1174.3000113.3I17 S18 K19 W20I17-L22 HydrophobicContact CB-CD2 4.38Å; I17-L22 HydrophobicContact CG2-CD2 3.98Å; I17-L22 HydrophobicContact CG2-CG 4.09Å; S18-L22 PolarHBondContact O-N 3.4Å; K19-L22 WeakPolarHBondContact O-CB 3.37Å; K19-L22 PolarHBondContact O-N 3.47Å; W20-L22 VanDerWaalsContact C-N 3.26Å; W20-L22 PolarHBondContact O-N 3.4Å
23H86.3Confident85.3Confident135 Ų135124.1 Ų124.163%0.62564%0.642SS**THydrogen-bonded Turntrans-99.64.6-179.9-66.4-60.7000113.6K19 W20 A21 F25K19-H23 PolarHBondContact O-CD2 3.31Å; K19-H23 PolarHBondContact O-N 3.2Å; W20-H23 CarbonylContact O-C 3.5Å; W20-H23 PolarHBondContact O-N 2.66Å; A21-H23 VanDerWaalsContact C-N 3.34Å; H23-F25 WeakPolarHBondContact O-CD2 3.49Å; H23-F25 PolarHBondContact O-N 3.09Å
24A90.1Very high86.9Confident72 Ų72122.3 Ų122.360%0.59564%0.637SS**PPolyproline II helixtrans-75125.5179.500000110.3W20W20-A24 PolarHBondContact O-N 2.81Å; W20-A24 VanDerWaalsContact O-N 3.08Å
25F89.6Confident88.3Confident189 Ų189120.4 Ų120.483%0.82963%0.625SS**PPolyproline II helixtrans-98.5136.7172.7-66.5-82000110.2H23H23-F25 WeakPolarHBondContact O-CD2 3.49Å; H23-F25 PolarHBondContact O-N 3.09Å
26P91.1Very high89.4Confident82 Ų82121.2 Ų121.253%0.53263%0.628SS.*PPolyproline II helixtrans-65.8144.8174.928.3-33.8000110.5V30 C31P26-V30 HydrophobicContact CB-CB 4.21Å; P26-V30 HydrophobicContact CB-CG1 3.95Å; P26-C31 VanDerWaalsContact CG-SG 3.58Å
27S94.3Very high89.9Confident68 Ų68122.3 Ų122.348%0.47663%0.626SS.*PPolyproline II helixtrans-71.4158.2169.866.30000110.7R29 V30 C31S27-R29 VanDerWaalsContact C-N 3.27Å; S27-R29 PolarHBondContact O-N 3.45Å; S27-V30 WeakPolarHBondContact O-CA 3.32Å; S27-V30 WeakPolarHBondContact O-CB 3.38Å; S27-V30 PolarHBondContact O-N 3.1Å; S27-V30 WeakPolarHBondContact OG-CG2 3.49Å; S27-C31 PolarHBondContact O-N 3Å
28E94.7Very high90.1Very high158 Ų158122.9 Ų122.974%0.73864%0.637SS**Hα-helixtrans-52-45.8179.1-174.1172.4-154.300112.2V30 C31 E32E28-V30 VanDerWaalsContact C-N 3.31Å; E28-V30 PolarHBondContact O-N 3.45Å; E28-C31 WeakPolarHBondContact O-CA 3.48Å; E28-C31 WeakPolarHBondContact O-CB 3.35Å; E28-C31 PolarHBondContact O-N 3.49Å; E28-C31 VanDerWaalsContact O-N 3.08Å; E28-E32 WeakPolarHBondContact O-CG 3.45Å; E28-E32 PolarHBondContact O-N 3.01Å
29R94.9Very high90.1Very high173 Ų173127.7 Ų127.765%0.65365%0.646SS**Hα-helixtrans-57.6-39.4174.1-177.7179.9179.985.5-0.4113.2S27 C31 E32 L33S27-R29 VanDerWaalsContact C-N 3.27Å; S27-R29 PolarHBondContact O-N 3.45Å; R29-C31 VanDerWaalsContact C-N 3.34Å; R29-E32 PolarHBondContact O-N 2.9Å; R29-L33 HydrophobicContact CG-CD1 4.12Å; R29-L33 WeakPolarHBondContact O-CB 3.45Å; R29-L33 VanDerWaalsContact O-CG 3.27Å; R29-L33 WeakPolarHBondContact O-CG 3.43Å; R29-L33 PolarHBondContact O-N 3.25Å
30V94.4Very high90.2Very high75 Ų75123.3 Ų123.346%0.45564%0.641SS.*Hα-helixtrans-68.8-38.6177.91720000110P26 S27 E28 L33 A34P26-V30 HydrophobicContact CB-CB 4.21Å; P26-V30 HydrophobicContact CB-CG1 3.95Å; S27-V30 WeakPolarHBondContact O-CA 3.32Å; S27-V30 WeakPolarHBondContact O-CB 3.38Å; S27-V30 PolarHBondContact O-N 3.1Å; S27-V30 WeakPolarHBondContact OG-CG2 3.49Å; E28-V30 VanDerWaalsContact C-N 3.31Å; E28-V30 PolarHBondContact O-N 3.45Å; V30-L33 PolarHBondContact O-N 3.2Å; V30-A34 VanDerWaalsContact O-CB 3.24Å; V30-A34 WeakPolarHBondContact O-CB 3.43Å; V30-A34 PolarHBondContact O-N 3.44Å
31C93.6Very high90.5Very high55 Ų55124.9 Ų124.937%0.37265%0.646SS.*Hα-helixtrans-61.8-42.9173.7-64.10000111.9P26 S27 E28 R29 A34 Q35P26-C31 VanDerWaalsContact CG-SG 3.58Å; S27-C31 PolarHBondContact O-N 3Å; E28-C31 WeakPolarHBondContact O-CA 3.48Å; E28-C31 WeakPolarHBondContact O-CB 3.35Å; E28-C31 PolarHBondContact O-N 3.49Å; E28-C31 VanDerWaalsContact O-N 3.08Å; R29-C31 VanDerWaalsContact C-N 3.34Å; C31-A34 PolarHBondContact O-N 3.42Å; C31-Q35 PolarHBondContact O-N 2.91Å
32E93.8Very high90.5Very high124 Ų124125.4 Ų125.458%0.57966%0.657SS**Hα-helixtrans-62.3-46.3175.5-70.3176.5169.800112E28 R29 A34 Q35E28-E32 WeakPolarHBondContact O-CG 3.45Å; E28-E32 PolarHBondContact O-N 3.01Å; R29-E32 PolarHBondContact O-N 2.9Å; E32-A34 VanDerWaalsContact C-N 3.29Å; E32-A34 PolarHBondContact O-N 3.41Å; E32-Q35 WeakPolarHBondContact O-CB 3.35Å; E32-Q35 PolarHBondContact O-N 3.4Å
33L92.1Very high90.7Very high126 Ų126125.7 Ų125.766%0.6665%0.65SS**Hα-helixtrans-70.2-25.8-180-70.3174.8000113.2R29 V30R29-L33 HydrophobicContact CG-CD1 4.12Å; R29-L33 WeakPolarHBondContact O-CB 3.45Å; R29-L33 VanDerWaalsContact O-CG 3.27Å; R29-L33 WeakPolarHBondContact O-CG 3.43Å; R29-L33 PolarHBondContact O-N 3.25Å; V30-L33 PolarHBondContact O-N 3.2Å
34A93.5Very high90.3Very high79 Ų79126.5 Ų126.565%0.65365%0.654SS**Hα-helixtrans-74.4-14.9175.200000112.6V30 C31 E32V30-A34 VanDerWaalsContact O-CB 3.24Å; V30-A34 WeakPolarHBondContact O-CB 3.43Å; V30-A34 PolarHBondContact O-N 3.44Å; C31-A34 PolarHBondContact O-N 3.42Å; E32-A34 VanDerWaalsContact C-N 3.29Å; E32-A34 PolarHBondContact O-N 3.41Å
35Q93.8Very high89.7Confident133 Ų133126.2 Ų126.262%0.62165%0.647SS**SBendtrans-64.3132.8174.2-63.1-62-22.300109.9C31 E32C31-Q35 PolarHBondContact O-N 2.91Å; E32-Q35 WeakPolarHBondContact O-CB 3.35Å; E32-Q35 PolarHBondContact O-N 3.4Å
36P90.8Very high88.8Confident110 Ų110126.8 Ų126.871%0.71465%0.652SS**PPolyproline II helixtrans-61.9146.9175.727.6-34000110
37R87.8Confident87.7Confident234 Ų234129.4 Ų129.488%0.88366%0.661SS**PPolyproline II helixtrans-62.7138.9173.4-69.4-174.9175.6-162.1-1.8109.5
38P86.4Confident86.4Confident124 Ų124131.5 Ų131.581%0.80567%0.673SS**PPolyproline II helixtrans-61144.2174.926.3-33.6000109.9
39Y87.1Confident85.1Confident170 Ų170131.6 Ų131.667%0.66768%0.677SS**PPolyproline II helixtrans-60.3148175.7-58.7-72.1000110.9W43Y39-W43 AromaticContact CD1-CD2 3.57Å; Y39-W43 HydrophobicContact CD1-CD2 3.57Å; Y39-W43 AromaticContact CD1-CE2 3.88Å; Y39-W43 AromaticContact CD1-CE3 3.52Å; Y39-W43 HydrophobicContact CD1-CE3 3.52Å; Y39-W43 HydrophobicContact CD1-CG 4.18Å; Y39-W43 HydrophobicContact CD1-CH2 4.08Å; Y39-W43 HydrophobicContact CD1-CZ2 4.13Å; Y39-W43 AromaticContact CD1-CZ3 3.78Å; Y39-W43 HydrophobicContact CD1-CZ3 3.78Å; Y39-W43 HydrophobicContact CD2-CE3 4.09Å; Y39-W43 HydrophobicContact CD2-CZ3 4.22Å; Y39-W43 HydrophobicContact CE1-CD2 4.2Å; Y39-W43 AromaticContact CE1-CE3 3.96Å; Y39-W43 HydrophobicContact CE1-CE3 3.96Å; Y39-W43 AromaticContact CE1-CH2 3.68Å; Y39-W43 HydrophobicContact CE1-CH2 3.68Å; Y39-W43 AromaticContact CE1-CZ2 3.93Å; Y39-W43 HydrophobicContact CE1-CZ2 3.93Å; Y39-W43 AromaticContact CE1-CZ3 3.69Å; Y39-W43 HydrophobicContact CE1-CZ3 3.69Å; Y39-W43 HydrophobicContact CE2-CE3 4.47Å; Y39-W43 HydrophobicContact CE2-CZ3 4.14Å; Y39-W43 AromaticContact CG-CD2 3.95Å; Y39-W43 HydrophobicContact CG-CD2 3.95Å; Y39-W43 AromaticContact CG-CE3 3.6Å; Y39-W43 HydrophobicContact CG-CE3 3.6Å; Y39-W43 HydrophobicContact CG-CG 4.43Å; Y39-W43 HydrophobicContact CG-CZ3 4.05Å; Y39-W43 AromaticContact CZ-CZ3 3.88Å
40A88.8Confident83.8Confident75 Ų75129 Ų12962%0.6268%0.683SS**PPolyproline II helixtrans-60.5149.4174.900000110.7G42 W43A40-G42 PolarHBondContact O-N 3.01Å; A40-G42 VanDerWaalsContact O-N 3.14Å; A40-W43 VanDerWaalsContact O-CB 3.25Å; A40-W43 WeakPolarHBondContact O-CB 3.35Å; A40-W43 PolarHBondContact O-N 2.79Å
41R88.9Confident82.8Confident261 Ų261132.4 Ų132.499%0.98570%0.697SS**THydrogen-bonded Turntrans-58.6120.1177.7-166.4-170.1-64.9-126.23.2109.3
42G86.1Confident81.9Confident69 Ų69135.7 Ų135.771%0.71172%0.718SS**THydrogen-bonded Turntrans89.34.3-17700000115.2A40 Q44A40-G42 PolarHBondContact O-N 3.01Å; A40-G42 VanDerWaalsContact O-N 3.14Å; G42-Q44 PolarHBondContact O-N 3.45Å
43W85.9Confident81.4Confident127 Ų127134.1 Ų134.148%0.48172%0.716SS.*  trans-63124.9169.5-175.286.4000109.9Y39 A40 P45Y39-W43 AromaticContact CD1-CD2 3.57Å; Y39-W43 HydrophobicContact CD1-CD2 3.57Å; Y39-W43 AromaticContact CD1-CE2 3.88Å; Y39-W43 AromaticContact CD1-CE3 3.52Å; Y39-W43 HydrophobicContact CD1-CE3 3.52Å; Y39-W43 HydrophobicContact CD1-CG 4.18Å; Y39-W43 HydrophobicContact CD1-CH2 4.08Å; Y39-W43 HydrophobicContact CD1-CZ2 4.13Å; Y39-W43 AromaticContact CD1-CZ3 3.78Å; Y39-W43 HydrophobicContact CD1-CZ3 3.78Å; Y39-W43 HydrophobicContact CD2-CE3 4.09Å; Y39-W43 HydrophobicContact CD2-CZ3 4.22Å; Y39-W43 HydrophobicContact CE1-CD2 4.2Å; Y39-W43 AromaticContact CE1-CE3 3.96Å; Y39-W43 HydrophobicContact CE1-CE3 3.96Å; Y39-W43 AromaticContact CE1-CH2 3.68Å; Y39-W43 HydrophobicContact CE1-CH2 3.68Å; Y39-W43 AromaticContact CE1-CZ2 3.93Å; Y39-W43 HydrophobicContact CE1-CZ2 3.93Å; Y39-W43 AromaticContact CE1-CZ3 3.69Å; Y39-W43 HydrophobicContact CE1-CZ3 3.69Å; Y39-W43 HydrophobicContact CE2-CE3 4.47Å; Y39-W43 HydrophobicContact CE2-CZ3 4.14Å; Y39-W43 AromaticContact CG-CD2 3.95Å; Y39-W43 HydrophobicContact CG-CD2 3.95Å; Y39-W43 AromaticContact CG-CE3 3.6Å; Y39-W43 HydrophobicContact CG-CE3 3.6Å; Y39-W43 HydrophobicContact CG-CG 4.43Å; Y39-W43 HydrophobicContact CG-CZ3 4.05Å; Y39-W43 AromaticContact CZ-CZ3 3.88Å; A40-W43 VanDerWaalsContact O-CB 3.25Å; A40-W43 WeakPolarHBondContact O-CB 3.35Å; A40-W43 PolarHBondContact O-N 2.79Å; W43-P45 HydrophobicContact CH2-CB 3.84Å; W43-P45 HydrophobicContact CH2-CG 4.5Å; W43-P45 HydrophobicContact CZ2-CB 4.44Å; W43-P45 HydrophobicContact CZ3-CB 4.21Å; W43-P45 HydrophobicContact CZ3-CG 4.38Å
44Q79.4Confident81.3Confident153 Ų153131.1 Ų131.172%0.71571%0.706SS**  trans-119.9136.5170.9-65.9-69.8-28.200106.7G42 E46G42-Q44 PolarHBondContact O-N 3.45Å; Q44-E46 PolarHBondContact O-N 3.4Å
45P76.6Confident81Confident66 Ų66137.8 Ų137.843%0.42971%0.714SS.*  trans-59.3134.9169.726-31.8000108.7W43 L47W43-P45 HydrophobicContact CH2-CB 3.84Å; W43-P45 HydrophobicContact CH2-CG 4.5Å; W43-P45 HydrophobicContact CZ2-CB 4.44Å; W43-P45 HydrophobicContact CZ3-CB 4.21Å; W43-P45 HydrophobicContact CZ3-CG 4.38Å; P45-L47 PolarHBondContact O-N 3.07Å
46E70.5Confident80.8Confident200 Ų200134.8 Ų134.894%0.93571%0.712SS**SBendtrans-55.5-22.5178.4-94.7-176.1159.200113Q44Q44-E46 PolarHBondContact O-N 3.4Å
47L67.9Low80.6Confident138 Ų138133.1 Ų133.172%0.72370%0.703SS**SBendtrans-123123.9-179.6-65.2164.6000108.4P45P45-L47 PolarHBondContact O-N 3.07Å
48P66.8Low80.6Confident112 Ų112128 Ų12873%0.72769%0.692SS**  trans-55.6147.3162.224.8-30.7000108.5
49L67.4Low80.9Confident160 Ų160127.2 Ų127.284%0.83869%0.685SS**SBendtrans-31.7148.9173.6-70.4167.9000113.1I51L49-I51 PolarHBondContact O-N 3.39Å
50P67.1Low81.1Confident119 Ų119122.8 Ų122.877%0.77368%0.684SS**SBendtrans-40.5125.4-163.213.9-30.8000112.7P52P50-P52 VanDerWaalsContact O-N 3.15Å
51I73.6Confident81.3Confident145 Ų145125.9 Ų125.974%0.74470%0.695SS**  trans-43.1123.5177-58.5164.5000107.5L49 V53L49-I51 PolarHBondContact O-N 3.39Å; I51-V53 PolarHBondContact O-N 3.13Å
52P76.1Confident81.5Confident125 Ų125116.4 Ų116.481%0.81267%0.673SS**  trans-58109.8-177.721.8-31.9000108.7P50P50-P52 VanDerWaalsContact O-N 3.15Å
53V81.9Confident82Confident90 Ų90115.8 Ų115.855%0.54566%0.657SS.*  trans-74.5140.3176.7-75.70000108.9I51 L58I51-V53 PolarHBondContact O-N 3.13Å; V53-L58 HydrophobicContact CG2-CD1 4.14Å; V53-L58 HydrophobicContact CG2-CD2 3.52Å; V53-L58 HydrophobicContact CG2-CG 3.73Å
54S89.7Confident82.4Confident63 Ų63115.4 Ų115.444%0.44167%0.671SS.*  trans-60150.5178.379.50000111A56 S57 L58S54-A56 PolarHBondContact O-N 3.14Å; S54-S57 WeakPolarHBondContact O-CB 3.46Å; S54-S57 PolarHBondContact O-N 3.14Å; S54-S57 PolarHBondContact OG-N 3.35Å; S54-S57 VanDerWaalsContact OG-N 3.15Å; S54-S57 PolarHBondContact OG-OG 3.03Å; S54-L58 PolarHBondContact O-N 3.25Å
55R88.9Confident83.2Confident220 Ų220117.1 Ų117.183%0.8367%0.671SS**Hα-helixtrans-54.6-38.1173.7-81.6-170.5171.3172.8-1.5112.1S57 L58 T59R55-S57 VanDerWaalsContact C-N 3.28Å; R55-S57 PolarHBondContact O-N 3.21Å; R55-L58 PolarHBondContact O-N 2.93Å; R55-L58 VanDerWaalsContact O-N 3.14Å; R55-T59 PolarHBondContact O-N 3.31Å; R55-T59 PolarHBondContact O-OG1 3.01Å; R55-T59 VanDerWaalsContact O-OG1 3.07Å
56A89.6Confident84.1Confident69 Ų69117.3 Ų117.357%0.5767%0.671SS**Hα-helixtrans-60.3-37.817700000112.5S54 A60S54-A56 PolarHBondContact O-N 3.14Å; A56-A60 WeakPolarHBondContact O-CB 3.24Å; A56-A60 PolarHBondContact O-N 3.13Å; A56-A60 VanDerWaalsContact O-N 3.07Å
57S86.8Confident85.2Confident76 Ų76111.1 Ų111.153%0.53165%0.649SS.*Hα-helixtrans-68.3-37.4175.5-53.50000112.2S54 R55S54-S57 WeakPolarHBondContact O-CB 3.46Å; S54-S57 PolarHBondContact O-N 3.14Å; S54-S57 PolarHBondContact OG-N 3.35Å; S54-S57 VanDerWaalsContact OG-N 3.15Å; S54-S57 PolarHBondContact OG-OG 3.03Å; R55-S57 VanDerWaalsContact C-N 3.28Å; R55-S57 PolarHBondContact O-N 3.21Å
58L87.3Confident86.5Confident125 Ų125112.1 Ų112.165%0.65465%0.648SS**Hα-helixtrans-70.1-31177.8-69172.8000112.9V53 S54 R55V53-L58 HydrophobicContact CG2-CD1 4.14Å; V53-L58 HydrophobicContact CG2-CD2 3.52Å; V53-L58 HydrophobicContact CG2-CG 3.73Å; S54-L58 PolarHBondContact O-N 3.25Å; R55-L58 PolarHBondContact O-N 2.93Å; R55-L58 VanDerWaalsContact O-N 3.14Å
59T92.5Very high87.7Confident108 Ų108112.7 Ų112.766%0.66364%0.644SS**THydrogen-bonded Turntrans-102.16.2-178.161.10000113.7R55 V61R55-T59 PolarHBondContact O-N 3.31Å; R55-T59 PolarHBondContact O-OG1 3.01Å; R55-T59 VanDerWaalsContact O-OG1 3.07Å; T59-V61 PolarHBondContact O-N 3.28Å
60A92.1Very high88.9Confident77 Ų77108.9 Ų108.964%0.63664%0.636SS**PPolyproline II helixtrans-66.2121.1-177.600000110.9A56A56-A60 WeakPolarHBondContact O-CB 3.24Å; A56-A60 PolarHBondContact O-N 3.13Å; A56-A60 VanDerWaalsContact O-N 3.07Å
61V93.1Very high90.1Very high141 Ų141109.8 Ų109.886%0.85563%0.629SS**PPolyproline II helixtrans-95132.8174.6-1790000109.3T59T59-V61 PolarHBondContact O-N 3.28Å
62A92.2Very high90.8Very high62 Ų62108.4 Ų108.451%0.51263%0.63SS.*PPolyproline II helixtrans-63.2136.517800000111.3
63S95.8Very high91.2Very high55 Ų55110.6 Ų110.639%0.38563%0.627SS.*PPolyproline II helixtrans-63.1155.4174.1770000112R65 T66 C67S63-R65 PolarHBondContact O-N 3.42Å; S63-R65 VanDerWaalsContact O-N 3.15Å; S63-T66 WeakPolarHBondContact CA-OG1 3.27Å; S63-T66 PolarHBondContact N-OG1 3.08Å; S63-T66 PolarHBondContact O-N 3.47Å; S63-T66 VanDerWaalsContact O-N 3.09Å; S63-T66 PolarHBondContact O-OG1 3.19Å; S63-T66 PolarHBondContact OG-N 3Å; S63-T66 PolarHBondContact OG-OG1 3.28Å; S63-C67 PolarHBondContact O-N 3.24Å; S63-C67 PolarHBondContact O-SG 3.2Å; S63-C67 VanDerWaalsContact O-SG 3.4Å
64P96Very high91.2Very high120 Ų120114.8 Ų114.878%0.77964%0.638SS**Hα-helixtrans-55-35.3174.9-2734.8000113.3C67 K68P64-C67 PolarHBondContact O-N 3.32Å; P64-K68 PolarHBondContact O-N 3.25Å
65R95.3Very high90.3Very high189 Ų189121.8 Ų121.871%0.71365%0.654SS**Hα-helixtrans-65.3-46.7177-178.3-176.817496.9-0.4111.8S63 C67 K68 L69S63-R65 PolarHBondContact O-N 3.42Å; S63-R65 VanDerWaalsContact O-N 3.15Å; R65-C67 VanDerWaalsContact C-N 3.32Å; R65-C67 PolarHBondContact O-N 3.11Å; R65-K68 PolarHBondContact O-N 3.39Å; R65-L69 HydrophobicContact CG-CD1 4.21Å; R65-L69 WeakPolarHBondContact O-CG 3.49Å; R65-L69 PolarHBondContact O-N 3.2Å
66T94.9Very high89.7Confident70 Ų70120.9 Ų120.943%0.42965%0.652SS.*Hα-helixtrans-61.2-41.3176.531.50000111.3S63 K68 L69 A70S63-T66 WeakPolarHBondContact CA-OG1 3.27Å; S63-T66 PolarHBondContact N-OG1 3.08Å; S63-T66 PolarHBondContact O-N 3.47Å; S63-T66 VanDerWaalsContact O-N 3.09Å; S63-T66 PolarHBondContact O-OG1 3.19Å; S63-T66 PolarHBondContact OG-N 3Å; S63-T66 PolarHBondContact OG-OG1 3.28Å; T66-K68 VanDerWaalsContact C-N 3.34Å; T66-K68 PolarHBondContact O-N 3.12Å; T66-L69 PolarHBondContact O-N 3.22Å; T66-A70 WeakPolarHBondContact O-CB 3.45Å; T66-A70 PolarHBondContact O-N 3.28Å
67C95.1Very high88.7Confident69 Ų69123.1 Ų123.147%0.46666%0.664SS.*Hα-helixtrans-61.9-40.3174.7-62.90000112.2S63 P64 R65 A70S63-C67 PolarHBondContact O-N 3.24Å; S63-C67 PolarHBondContact O-SG 3.2Å; S63-C67 VanDerWaalsContact O-SG 3.4Å; P64-C67 PolarHBondContact O-N 3.32Å; R65-C67 VanDerWaalsContact C-N 3.32Å; R65-C67 PolarHBondContact O-N 3.11Å; C67-A70 PolarHBondContact O-N 3.31Å
68K94.6Very high87.5Confident160 Ų160128.5 Ų128.570%0.69668%0.677SS**Hα-helixtrans-65.4-42.3176.4-174.2176.1-178.2175.50112.5P64 R65 T66 Q71P64-K68 PolarHBondContact O-N 3.25Å; R65-K68 PolarHBondContact O-N 3.39Å; T66-K68 VanDerWaalsContact C-N 3.34Å; T66-K68 PolarHBondContact O-N 3.12Å; K68-Q71 WeakPolarHBondContact O-CB 3.25Å; K68-Q71 PolarHBondContact O-N 3.37Å
69L92.1Very high86.3Confident123 Ų123128.2 Ų128.264%0.64468%0.683SS**Hα-helixtrans-72.3-29.5179.3-69.7175.8000112.9R65 T66 Q71R65-L69 HydrophobicContact CG-CD1 4.21Å; R65-L69 WeakPolarHBondContact O-CG 3.49Å; R65-L69 PolarHBondContact O-N 3.2Å; T66-L69 PolarHBondContact O-N 3.22Å; L69-Q71 PolarHBondContact O-N 3.03Å
70A92.5Very high84.6Confident81 Ų81131 Ų13167%0.66969%0.689SS**THydrogen-bonded Turntrans-68.8-12.7174.400000112.9T66 C67T66-A70 WeakPolarHBondContact O-CB 3.45Å; T66-A70 PolarHBondContact O-N 3.28Å; C67-A70 PolarHBondContact O-N 3.31Å
71Q92.4Very high82.7Confident137 Ų137132 Ų13264%0.6469%0.689SS**SBendtrans-65.7129.4175.6-63.7-173.23.500110.4K68 L69 K73K68-Q71 WeakPolarHBondContact O-CB 3.25Å; K68-Q71 PolarHBondContact O-N 3.37Å; L69-Q71 PolarHBondContact O-N 3.03Å; Q71-K73 PolarHBondContact O-N 3.14Å
72P88.2Confident80.9Confident116 Ų116129.6 Ų129.675%0.75368%0.678SS**  trans-62.9138.7178.726.6-34.2000110.2K74P72-K74 PolarHBondContact O-N 2.87Å
73K84.4Confident79.3Confident172 Ų172134.8 Ų134.875%0.74869%0.691SS**  trans-63.4113175.7-174.8171.8-178.8170.20109.3Q71 R75Q71-K73 PolarHBondContact O-N 3.14Å; K73-R75 PolarHBondContact O-N 3.13Å
74K82Confident77.3Confident178 Ų178139.9 Ų139.977%0.77471%0.714SS**  trans-61.1107.3172.3-65.3-175.8-178.7-178.20108.8P72P72-K74 PolarHBondContact O-N 2.87Å
75R71.6Confident75.2Confident210 Ų210139.4 Ų139.479%0.79271%0.713SS**  trans-82.9111.6168.1-62-78.9-157.4-164.71.4105.8K73K73-R75 PolarHBondContact O-N 3.13Å
76Y75.1Confident73.5Confident201 Ų201138.2 Ų138.279%0.78872%0.716SS**PPolyproline II helixtrans-62.2140.9161.9-64.5-79.3000107.9K78Y76-K78 PolarHBondContact O-N 3Å
77S67.9Low71.5Confident115 Ų115140.7 Ų140.780%0.80473%0.733SS**PPolyproline II helixtrans-51116171.349.10000107.4
78K62.9Low69.7Low189 Ų189148.4 Ų148.482%0.82275%0.752SS**PPolyproline II helixtrans-55.3134.2167.7-69.8-178.1175.7-176.80106.1Y76 E80Y76-K78 PolarHBondContact O-N 3Å; K78-E80 PolarHBondContact O-N 2.97Å
79P61.1Low67.8Low120 Ų120145.3 Ų145.378%0.77975%0.748SS**PPolyproline II helixtrans-50.3136162.5-18.829.9000107.5
80E57.9Low66.2Low167 Ų167146.6 Ų146.678%0.7875%0.753SS**  trans-40.1135.2171.6-78.6-66.2139.300109.6K78 S82K78-E80 PolarHBondContact O-N 2.97Å; E80-S82 PolarHBondContact O-N 3.01Å
81P52.2Low64.5Low98 Ų98147.8 Ų147.864%0.63675%0.752SS**  trans-68.987.4173.829.7-30.3000107.2H83P81-H83 PolarHBondContact O-N 3.07Å
82S55.4Low62.9Low90 Ų90148.9 Ų148.963%0.62976%0.757SS**  trans-59.598.8156.557.70000105.6E80 L84 S85E80-S82 PolarHBondContact O-N 3.01Å; S82-L84 PolarHBondContact O-N 2.91Å; S82-S85 PolarHBondContact O-N 3.01Å
83H57.9Low61.6Low171 Ų171146.2 Ų146.279%0.79274%0.736SS**SBendtrans-42.9125.9155.3-67.9-90.6000106.1P81P81-H83 PolarHBondContact O-N 3.07Å
84L54.8Low61Low162 Ų162141.9 Ų141.985%0.84872%0.724SS**  trans96.738.2-161.7-48.5178.8000115.4S82 E86S82-L84 PolarHBondContact O-N 2.91Å; L84-E86 PolarHBondContact O-N 3.27Å
85S51.3Low60.5Low110 Ų110138.2 Ų138.277%0.76972%0.721SS**  trans-66.694.1144.454.40000107S82S82-S85 PolarHBondContact O-N 3.01Å
86E59.6Low60.6Low164 Ų164131.5 Ų131.577%0.76671%0.71SS**  trans-46.1142.4163.4-70.6-167.115700108.6L84 R88L84-E86 PolarHBondContact O-N 3.27Å; E86-R88 VanDerWaalsContact C-N 3.33Å; E86-R88 PolarHBondContact O-N 3.15Å
87P53.2Low60.8Low122 Ų122126.7 Ų126.779%0.79270%0.695SS**  trans-57.1105.417223-29.4000106.8P89P87-P89 WeakPolarHBondContact O-CD 3.37Å
88R55.9Low61.4Low231 Ų231125.8 Ų125.887%0.87268%0.68SS**  trans-50.7117.6176.4-134.6-177.9-155.1-148.63.6105.6E86 M90E86-R88 VanDerWaalsContact C-N 3.33Å; E86-R88 PolarHBondContact O-N 3.15Å; R88-M90 PolarHBondContact O-N 3Å; R88-M90 VanDerWaalsContact O-N 3.14Å
89P56Low62.4Low95 Ų95120 Ų12062%0.61766%0.664SS**  trans-60.2128.8-178.724.5-32000106.5P87 T91P87-P89 WeakPolarHBondContact O-CD 3.37Å; P89-T91 HydrophobicContact CB-CG2 4.02Å; P89-T91 HydrophobicContact CG-CG2 4.2Å; P89-T91 PolarHBondContact O-N 3.07Å; P89-T91 PolarHBondContact O-OG1 3.19Å
90M57Low63.5Low150 Ų150120 Ų12074%0.73965%0.653SS**  trans-71.864.3-176.8-161.7101.1158.900108.8R88 H92 L93R88-M90 PolarHBondContact O-N 3Å; R88-M90 VanDerWaalsContact O-N 3.14Å; M90-H92 PolarHBondContact O-N 2.86Å; M90-L93 HydrophobicContact CE-CD1 3.84Å; M90-L93 HydrophobicContact CE-CD2 4.13Å; M90-L93 HydrophobicContact CE-CG 4.2Å; M90-L93 HydrophobicContact CG-CD1 3.74Å; M90-L93 HydrophobicContact CG-CG 3.82Å
91T57.6Low64.8Low106 Ų106116 Ų11665%0.6564%0.637SS**THydrogen-bonded Turntrans-807.2-172.646.40000113.8P89P89-T91 HydrophobicContact CB-CG2 4.02Å; P89-T91 HydrophobicContact CG-CG2 4.2Å; P89-T91 PolarHBondContact O-N 3.07Å; P89-T91 PolarHBondContact O-OG1 3.19Å
92H59.1Low66.4Low159 Ų159114.6 Ų114.674%0.73663%0.629SS**THydrogen-bonded Turntrans-117.514.7-174.4-65-70.8000114.8M90 T94M90-H92 PolarHBondContact O-N 2.86Å; H92-T94 PolarHBondContact O-N 2.87Å
93L60.2Low68Low61 Ų61116 Ų11632%0.31963%0.627SS.*  trans-8999.1171.1-60.5-178.1000109.1M90 H97 L98 L101M90-L93 HydrophobicContact CE-CD1 3.84Å; M90-L93 HydrophobicContact CE-CD2 4.13Å; M90-L93 HydrophobicContact CE-CG 4.2Å; M90-L93 HydrophobicContact CG-CD1 3.74Å; M90-L93 HydrophobicContact CG-CG 3.82Å; L93-H97 HydrophobicContact CB-CB 4.22Å; L93-H97 HydrophobicContact CD2-CB 3.87Å; L93-L98 HydrophobicContact CB-CD2 4.01Å; L93-L98 HydrophobicContact CB-CG 4.3Å; L93-L98 HydrophobicContact CD1-CD2 3.83Å; L93-L101 HydrophobicContact CD1-CD1 4.07Å; L93-L101 HydrophobicContact CD2-CD1 4.22Å
94T71.7Confident69.4Low80 Ų80113.7 Ų113.749%0.49162%0.62SS.*  trans-65.4160.7167.159.60000109.9H92 A96 H97 L98H92-T94 PolarHBondContact O-N 2.87Å; T94-A96 PolarHBondContact O-N 3.48Å; T94-A96 VanDerWaalsContact O-N 3.11Å; T94-H97 WeakPolarHBondContact O-CA 3.48Å; T94-H97 WeakPolarHBondContact O-CB 3.39Å; T94-H97 PolarHBondContact O-N 3.14Å; T94-H97 PolarHBondContact OG1-CD2 3.41Å; T94-L98 PolarHBondContact O-N 3.2Å; T94-L98 VanDerWaalsContact O-N 3.16Å
95S71Confident71Confident102 Ų102109.7 Ų109.771%0.71361%0.611SS**Hα-helixtrans-51.7-36.1175.5179.20000112.4H97 L98 S99S95-H97 PolarHBondContact O-N 2.92Å; S95-L98 PolarHBondContact O-N 2.97Å; S95-S99 PolarHBondContact O-N 3.46Å
96A75.8Confident72.8Confident69 Ų69109.4 Ų109.457%0.5760%0.599SS**Hα-helixtrans-62.3-37.8173.400000113.3T94 S99 H100T94-A96 PolarHBondContact O-N 3.48Å; T94-A96 VanDerWaalsContact O-N 3.11Å; A96-S99 PolarHBondContact O-N 3.41Å; A96-H100 WeakPolarHBondContact O-CB 3.5Å; A96-H100 PolarHBondContact O-N 3.4Å
97H78.5Confident74.1Confident100 Ų100107 Ų10746%0.46360%0.598SS.*Hα-helixtrans-67.5-38.7175.5-80.9-129.5000112.1L93 T94 S95 H100 L101L93-H97 HydrophobicContact CB-CB 4.22Å; L93-H97 HydrophobicContact CD2-CB 3.87Å; T94-H97 WeakPolarHBondContact O-CA 3.48Å; T94-H97 WeakPolarHBondContact O-CB 3.39Å; T94-H97 PolarHBondContact O-N 3.14Å; T94-H97 PolarHBondContact OG1-CD2 3.41Å; S95-H97 PolarHBondContact O-N 2.92Å; H97-H100 PolarHBondContact O-N 3.43Å; H97-L101 VanDerWaalsContact O-CB 3.28Å; H97-L101 WeakPolarHBondContact O-CB 3.33Å; H97-L101 WeakPolarHBondContact O-CG 3.38Å; H97-L101 PolarHBondContact O-N 2.93Å
98L81.4Confident75.7Confident95 Ų95111 Ų11150%0.49760%0.603SS.*Hα-helixtrans-67.5-38.5177-63.4178.5000111.5L93 T94 S95 L101 S102L93-L98 HydrophobicContact CB-CD2 4.01Å; L93-L98 HydrophobicContact CB-CG 4.3Å; L93-L98 HydrophobicContact CD1-CD2 3.83Å; T94-L98 PolarHBondContact O-N 3.2Å; T94-L98 VanDerWaalsContact O-N 3.16Å; S95-L98 PolarHBondContact O-N 2.97Å; L98-L101 PolarHBondContact O-N 3.24Å; L98-S102 PolarHBondContact O-N 3.09Å; L98-S102 PolarHBondContact O-OG 2.98Å
99S82Confident77.1Confident69 Ų69103.4 Ų103.448%0.48360%0.596SS.*Hα-helixtrans-65.1-42.4172.9173.20000112.5S95 A96 S102 M103S95-S99 PolarHBondContact O-N 3.46Å; A96-S99 PolarHBondContact O-N 3.41Å; S99-S102 PolarHBondContact O-N 3.36Å; S99-S102 PolarHBondContact O-OG 3.45Å; S99-M103 WeakPolarHBondContact O-CG 3.31Å; S99-M103 PolarHBondContact O-N 3Å
100H84.7Confident78.4Confident118 Ų118104.1 Ų104.155%0.54659%0.592SS.*Hα-helixtrans-68-37.9175.9-174.8-105.8000111.8A96 H97 M103 L104A96-H100 WeakPolarHBondContact O-CB 3.5Å; A96-H100 PolarHBondContact O-N 3.4Å; H97-H100 PolarHBondContact O-N 3.43Å; H100-M103 PolarHBondContact O-N 3.39Å; H100-L104 VanDerWaalsContact CE1-CD1 3.44Å; H100-L104 WeakPolarHBondContact CE1-CD1 3.49Å; H100-L104 WeakPolarHBondContact O-CG 3.47Å; H100-L104 PolarHBondContact O-N 3.41Å
101L85.9Confident79.8Confident85 Ų85102.8 Ų102.845%0.44558%0.583SS.*Hα-helixtrans-62.9-43174-87.5161.7000112.1L93 H97 L98 M103 L104 A105L93-L101 HydrophobicContact CD1-CD1 4.07Å; L93-L101 HydrophobicContact CD2-CD1 4.22Å; H97-L101 VanDerWaalsContact O-CB 3.28Å; H97-L101 WeakPolarHBondContact O-CB 3.33Å; H97-L101 WeakPolarHBondContact O-CG 3.38Å; H97-L101 PolarHBondContact O-N 2.93Å; L98-L101 PolarHBondContact O-N 3.24Å; L101-M103 VanDerWaalsContact C-N 3.32Å; L101-M103 PolarHBondContact O-N 2.91Å; L101-L104 PolarHBondContact O-N 2.75Å; L101-A105 WeakPolarHBondContact O-CB 3.39Å; L101-A105 PolarHBondContact O-N 3.13Å
102S86Confident81.2Confident68 Ų68103.7 Ų103.748%0.47659%0.591SS.*Hα-helixtrans-64.1-39.6176.767.50000111.3L98 S99 A105 I106L98-S102 PolarHBondContact O-N 3.09Å; L98-S102 PolarHBondContact O-OG 2.98Å; S99-S102 PolarHBondContact O-N 3.36Å; S99-S102 PolarHBondContact O-OG 3.45Å; S102-A105 PolarHBondContact O-N 2.75Å; S102-I106 WeakPolarHBondContact O-CG1 3.41Å; S102-I106 PolarHBondContact O-N 3.24Å
103M88.5Confident82.5Confident120 Ų120102.8 Ų102.859%0.59159%0.591SS**Hα-helixtrans-62-41.5173.5-74.3-63.1-60.800113S99 H100 L101 A105 I106S99-M103 WeakPolarHBondContact O-CG 3.31Å; S99-M103 PolarHBondContact O-N 3Å; H100-M103 PolarHBondContact O-N 3.39Å; L101-M103 VanDerWaalsContact C-N 3.32Å; L101-M103 PolarHBondContact O-N 2.91Å; M103-A105 VanDerWaalsContact C-N 3.32Å; M103-I106 PolarHBondContact O-N 3.4Å; M103-I106 HydrophobicContact SD-CD1 4.05Å
104L86.8Confident83.5Confident121 Ų121106 Ų10663%0.63460%0.6SS**Hα-helixtrans-72.1-25.8177.1-71.6178.8000113.3H100 L101 I106H100-L104 VanDerWaalsContact CE1-CD1 3.44Å; H100-L104 WeakPolarHBondContact CE1-CD1 3.49Å; H100-L104 WeakPolarHBondContact O-CG 3.47Å; H100-L104 PolarHBondContact O-N 3.41Å; L101-L104 PolarHBondContact O-N 2.75Å; L104-I106 VanDerWaalsContact C-N 3.26Å
105A89Confident83.9Confident79 Ų79110 Ų11065%0.65361%0.613SS**Hα-helixtrans-75.1-16.5176.900000112.7L101 S102 M103 P107L101-A105 WeakPolarHBondContact O-CB 3.39Å; L101-A105 PolarHBondContact O-N 3.13Å; S102-A105 PolarHBondContact O-N 2.75Å; M103-A105 VanDerWaalsContact C-N 3.32Å; A105-P107 WeakPolarHBondContact O-CD 3.42Å
106I89.5Confident84.1Confident104 Ų104113.7 Ų113.753%0.53361%0.611SS.*SBendtrans-68118.8173.1-61.3166.7000107.9S102 M103 L104 K108S102-I106 WeakPolarHBondContact O-CG1 3.41Å; S102-I106 PolarHBondContact O-N 3.24Å; M103-I106 PolarHBondContact O-N 3.4Å; M103-I106 HydrophobicContact SD-CD1 4.05Å; L104-I106 VanDerWaalsContact C-N 3.26Å; I106-K108 PolarHBondContact O-N 3.06Å
107P85.8Confident84.1Confident114 Ų114119.4 Ų119.474%0.7463%0.626SS**PPolyproline II helixtrans-61.8138.7176.626.6-33.5000109.4A105 G109A105-P107 WeakPolarHBondContact O-CD 3.42Å; P107-G109 PolarHBondContact O-N 2.87Å
108K86.9Confident83.5Confident204 Ų204125.1 Ų125.189%0.88764%0.644SS**PPolyproline II helixtrans-59.9139.7174.3-65.2-175.7178-177.20109.3I106I106-K108 PolarHBondContact O-N 3.06Å
109G85.4Confident82.9Confident72 Ų72125.9 Ų125.974%0.74266%0.657SS**PPolyproline II helixtrans-57.7148.6174.600000111.6P107 H111P107-G109 PolarHBondContact O-N 2.87Å; G109-H111 PolarHBondContact O-N 3.03Å
110E84.4Confident82.3Confident111 Ų111126.3 Ų126.352%0.51966%0.664SS.*PPolyproline II helixtrans-60.4134.7173-69.1-172.7166.500109.4Y114 R116E110-Y114 HydrophobicContact CB-CD1 3.91Å; E110-Y114 HydrophobicContact CB-CG 4.45Å; E110-Y114 VanDerWaalsContact CD-CD1 3.47Å; E110-Y114 HydrophobicContact CG-CD1 3.8Å; E110-Y114 HydrophobicContact CG-CE1 4.1Å; E110-Y114 WeakPolarHBondContact OE1-CE1 3.47Å; E110-R116 IonicContact OE1-CZ 3.2Å; E110-R116 IonicContact OE1-NE 2.97Å; E110-R116 PolarHBondContact OE1-NE 2.99Å; E110-R116 IonicContact OE1-NH2 2.7Å; E110-R116 PolarHBondContact OE1-NH2 3.44Å; E110-R116 IonicContact OE2-NE 3.86Å
111H85.4Confident81.5Confident121 Ų121131.2 Ų131.256%0.5668%0.678SS**PPolyproline II helixtrans-60.9143.7178.4-176.7-90.8000109.6G109 L113 Y114G109-H111 PolarHBondContact O-N 3.03Å; H111-L113 WeakPolarHBondContact ND1-CB 3.39Å; H111-L113 PolarHBondContact ND1-N 3.17Å; H111-L113 PolarHBondContact O-N 2.64Å; H111-Y114 WeakPolarHBondContact O-CA 3.4Å; H111-Y114 WeakPolarHBondContact O-CB 3.48Å; H111-Y114 PolarHBondContact O-N 3.08Å
112P88Confident81.1Confident126 Ų126137 Ų13782%0.81869%0.694SS**THydrogen-bonded Turntrans-56.2-25.4-178.5-27.434.8000114.7
113L85.3Confident80.9Confident139 Ų139139.3 Ų139.373%0.72871%0.708SS**THydrogen-bonded Turntrans-97.68.6175.5-53.9177.7000113.8H111 Q115H111-L113 WeakPolarHBondContact ND1-CB 3.39Å; H111-L113 PolarHBondContact ND1-N 3.17Å; H111-L113 PolarHBondContact O-N 2.64Å; L113-Q115 PolarHBondContact O-N 3.15Å
114Y82.3Confident80.8Confident129 Ų129138.2 Ų138.251%0.50671%0.707SS.*  trans-71.2112.6179.8179.5-113.5000110E110 H111 R116E110-Y114 HydrophobicContact CB-CD1 3.91Å; E110-Y114 HydrophobicContact CB-CG 4.45Å; E110-Y114 VanDerWaalsContact CD-CD1 3.47Å; E110-Y114 HydrophobicContact CG-CD1 3.8Å; E110-Y114 HydrophobicContact CG-CE1 4.1Å; E110-Y114 WeakPolarHBondContact OE1-CE1 3.47Å; H111-Y114 WeakPolarHBondContact O-CA 3.4Å; H111-Y114 WeakPolarHBondContact O-CB 3.48Å; H111-Y114 PolarHBondContact O-N 3.08Å; Y114-R116 HydrophobicContact CD1-CG 4.17Å; Y114-R116 HydrophobicContact CE1-CG 3.4Å; Y114-R116 VanDerWaalsContact CE1-CG 3.4Å
115Q79.1Confident81Confident164 Ų164135.7 Ų135.777%0.76670%0.7SS**  trans-100.8114172.4-65.8174.42.300108.1L113L113-Q115 PolarHBondContact O-N 3.15Å
116R75.7Confident81Confident179 Ų179134.4 Ų134.468%0.67569%0.689SS**  trans-60.6157.8172.8-79.3-176.2174.6176.4-5111E110 Y114 R118E110-R116 IonicContact OE1-CZ 3.2Å; E110-R116 IonicContact OE1-NE 2.97Å; E110-R116 PolarHBondContact OE1-NE 2.99Å; E110-R116 IonicContact OE1-NH2 2.7Å; E110-R116 PolarHBondContact OE1-NH2 3.44Å; E110-R116 IonicContact OE2-NE 3.86Å; Y114-R116 HydrophobicContact CD1-CG 4.17Å; Y114-R116 HydrophobicContact CE1-CG 3.4Å; Y114-R116 VanDerWaalsContact CE1-CG 3.4Å; R116-R118 PolarHBondContact O-N 3.45Å
117Q74.9Confident81.1Confident190 Ų190133 Ų13389%0.88869%0.694SS**SBendtrans4101.2-175.4-167.6146.2-41.800115.2S119Q117-S119 PolarHBondContact O-N 3.21Å
118R67.3Low81.3Confident220 Ų220130.4 Ų130.483%0.8368%0.682SS**  trans-50.9130167.5-65.7-172.8-172.5175.32.9108.1R116R116-R118 PolarHBondContact O-N 3.45Å
119S68.7Low81.5Confident110 Ų110129.1 Ų129.177%0.76967%0.671SS**  trans-48.6146.1166.448.90000108.8Q117 R121Q117-S119 PolarHBondContact O-N 3.21Å; S119-R121 PolarHBondContact O-N 3.05Å; S119-R121 VanDerWaalsContact O-N 3.09Å
120A67.8Low81.9Confident78 Ų78131.2 Ų131.265%0.64567%0.665SS**  trans-39.5123.9-174.700000109.6W122A120-W122 CarbonylContact O-C 3.57Å; A120-W122 PolarHBondContact O-N 3.09Å
121R68.9Low82.4Confident222 Ų222132.9 Ų132.984%0.83867%0.668SS**SBendtrans-50-21.5-170.1-171.1176.2176.2-178-1.2112.8S119S119-R121 PolarHBondContact O-N 3.05Å; S119-R121 VanDerWaalsContact O-N 3.09Å
122W76.9Confident82.8Confident205 Ų205135.7 Ų135.778%0.77768%0.679SS**SBendtrans-138.2107.6172.6-57.297.9000110A120 V124A120-W122 CarbonylContact O-C 3.57Å; A120-W122 PolarHBondContact O-N 3.09Å; W122-V124 PolarHBondContact O-N 2.69Å
123P81.3Confident83Confident117 Ų117132.5 Ų132.576%0.7666%0.658SS**PPolyproline II helixtrans-66.9127.9172.727-32.3000109.7
124V86.3Confident83.6Confident97 Ų97128.6 Ų128.659%0.58864%0.642SS**PPolyproline II helixtrans-76.9127.1174.2-175.30000108.6W122 A128 R129W122-V124 PolarHBondContact O-N 2.69Å; V124-A128 HydrophobicContact CG1-CB 3.69Å; V124-R129 HydrophobicContact CB-CG 4.28Å; V124-R129 HydrophobicContact CG1-CG 3.82Å
125S90.9Very high84.2Confident69 Ų69129.4 Ų129.448%0.48365%0.651SS.*PPolyproline II helixtrans-61.5153.4-179.470.50000111.6A127 A128 R129S125-A127 PolarHBondContact O-N 3.49Å; S125-A128 PolarHBondContact O-N 3.18Å; S125-A128 WeakPolarHBondContact OG-CB 3.44Å; S125-A128 PolarHBondContact OG-N 2.97Å; S125-R129 PolarHBondContact O-N 3.32Å; S125-R129 VanDerWaalsContact O-N 3.12Å
126A90.8Very high85Confident51 Ų51128.6 Ų128.642%0.42164%0.641SS.*Hα-helixtrans-58.7-37.1174.900000111.8A128 R129 N130A126-A128 PolarHBondContact O-N 3.32Å; A126-R129 PolarHBondContact O-N 3.11Å; A126-N130 WeakPolarHBondContact O-CB 3.34Å; A126-N130 PolarHBondContact O-N 2.94Å; A126-N130 PolarHBondContact O-ND2 3.48Å
127A91.9Very high85.9Confident76 Ų76123.3 Ų123.363%0.62863%0.628SS**Hα-helixtrans-60.4-44.2175.900000112.3S125 N130 Y131S125-A127 PolarHBondContact O-N 3.49Å; A127-N130 PolarHBondContact O-N 2.93Å; A127-Y131 WeakPolarHBondContact O-CB 3.43Å; A127-Y131 PolarHBondContact O-N 3.29Å
128A89.8Confident86.9Confident59 Ų59118.5 Ų118.549%0.48861%0.608SS.*Hα-helixtrans-68.4-35.2178.300000112.5V124 S125 A126 N130V124-A128 HydrophobicContact CG1-CB 3.69Å; S125-A128 PolarHBondContact O-N 3.18Å; S125-A128 WeakPolarHBondContact OG-CB 3.44Å; S125-A128 PolarHBondContact OG-N 2.97Å; A126-A128 PolarHBondContact O-N 3.32Å; A128-N130 VanDerWaalsContact C-N 3.34Å
129R89.2Confident88.1Confident176 Ų176112.9 Ų112.966%0.66459%0.591SS**Hα-helixtrans-69-31.6176.4-70.4-175.2-69.6156.31.4113.3V124 S125 A126V124-R129 HydrophobicContact CB-CG 4.28Å; V124-R129 HydrophobicContact CG1-CG 3.82Å; S125-R129 PolarHBondContact O-N 3.32Å; S125-R129 VanDerWaalsContact O-N 3.12Å; A126-R129 PolarHBondContact O-N 3.11Å
130N94.4Very high89.3Confident116 Ų116112.9 Ų112.962%0.6258%0.582SS**THydrogen-bonded Turntrans-102.511.9-177.4-60.6-25.1000112.7A126 A127 A128 F132A126-N130 WeakPolarHBondContact O-CB 3.34Å; A126-N130 PolarHBondContact O-N 2.94Å; A126-N130 PolarHBondContact O-ND2 3.48Å; A127-N130 PolarHBondContact O-N 2.93Å; A128-N130 VanDerWaalsContact C-N 3.34Å; N130-F132 WeakPolarHBondContact O-CD2 3.39Å
131Y94.7Very high90.5Very high147 Ų147113.2 Ų113.258%0.57658%0.579SS**PPolyproline II helixtrans-74130.8-177.8178.1-105.3000111A127 P133A127-Y131 WeakPolarHBondContact O-CB 3.43Å; A127-Y131 PolarHBondContact O-N 3.29Å; Y131-P133 HydrophobicContact CE1-CB 4.32Å
132F94.1Very high91.6Very high179 Ų179106.7 Ų106.779%0.78557%0.567SS**PPolyproline II helixtrans-101.3123.6171.6-69.4-86.5000109.6N130N130-F132 WeakPolarHBondContact O-CD2 3.39Å
133P93.2Very high92.2Very high59 Ų59102.4 Ų102.438%0.38357%0.566SS.*PPolyproline II helixtrans-67142.1-179.228.4-34.5000111Y131 V137 L138Y131-P133 HydrophobicContact CE1-CB 4.32Å; P133-V137 HydrophobicContact CB-CB 4.13Å; P133-V137 HydrophobicContact CB-CG1 3.84Å; P133-L138 HydrophobicContact CB-CD2 4.25Å; P133-L138 HydrophobicContact CB-CG 4.3Å; P133-L138 HydrophobicContact CG-CD2 3.7Å; P133-L138 HydrophobicContact CG-CG 4.07Å
134S96.4Very high92.4Very high57 Ų57106.7 Ų106.740%0.39957%0.567SS.*PPolyproline II helixtrans-66.8159.3170.868.10000111.4R136 V137 L138S134-R136 PolarHBondContact O-N 3.37Å; S134-V137 WeakPolarHBondContact O-CB 3.45Å; S134-V137 PolarHBondContact O-N 3.06Å; S134-V137 WeakPolarHBondContact OG-CG2 3.37Å; S134-V137 PolarHBondContact OG-N 3.46Å; S134-L138 PolarHBondContact O-N 3.37Å; S134-L138 VanDerWaalsContact O-N 3.08Å
135Q95.5Very high92.2Very high146 Ų146109.8 Ų109.868%0.68258%0.578SS**Hα-helixtrans-53.1-42.8176.4-176.6178.8-16.200112.3V137 L138 E139Q135-V137 VanDerWaalsContact C-N 3.32Å; Q135-V137 PolarHBondContact O-N 3Å; Q135-L138 WeakPolarHBondContact O-CB 3.45Å; Q135-L138 PolarHBondContact O-N 2.75Å; Q135-L138 VanDerWaalsContact O-N 3.17Å; Q135-E139 PolarHBondContact NE2-OE1 3.2Å; Q135-E139 WeakPolarHBondContact O-CG 3.44Å; Q135-E139 PolarHBondContact O-N 3.4Å
136R95.6Very high91.7Very high148 Ų148115.8 Ų115.856%0.55859%0.59SS**Hα-helixtrans-56.9-42.9175.3-176.585.7-174.8100.23.3112.4S134 L138 E139 L140S134-R136 PolarHBondContact O-N 3.37Å; R136-L138 VanDerWaalsContact C-N 3.34Å; R136-E139 PolarHBondContact O-N 3.07Å; R136-L140 HydrophobicContact CG-CD1 4.26Å; R136-L140 WeakPolarHBondContact O-CB 3.47Å; R136-L140 VanDerWaalsContact O-CG 3.31Å; R136-L140 WeakPolarHBondContact O-CG 3.42Å; R136-L140 PolarHBondContact O-N 3.4Å
137V95.9Very high91.3Very high67 Ų67121.9 Ų121.941%0.40661%0.607SS.*Hα-helixtrans-67.2-38.9179.5171.30000110.4P133 S134 Q135 L140 S141P133-V137 HydrophobicContact CB-CB 4.13Å; P133-V137 HydrophobicContact CB-CG1 3.84Å; S134-V137 WeakPolarHBondContact O-CB 3.45Å; S134-V137 PolarHBondContact O-N 3.06Å; S134-V137 WeakPolarHBondContact OG-CG2 3.37Å; S134-V137 PolarHBondContact OG-N 3.46Å; Q135-V137 VanDerWaalsContact C-N 3.32Å; Q135-V137 PolarHBondContact O-N 3Å; V137-L140 PolarHBondContact O-N 3.33Å; V137-S141 WeakPolarHBondContact O-CB 3.1Å; V137-S141 PolarHBondContact O-N 3.21Å
138L95.4Very high90.7Very high90 Ų90124.3 Ų124.347%0.47161%0.61SS.*Hα-helixtrans-63-46.8174.4-67.5173.5000111.3P133 S134 Q135 R136 L140 S141 C142P133-L138 HydrophobicContact CB-CD2 4.25Å; P133-L138 HydrophobicContact CB-CG 4.3Å; P133-L138 HydrophobicContact CG-CD2 3.7Å; P133-L138 HydrophobicContact CG-CG 4.07Å; S134-L138 PolarHBondContact O-N 3.37Å; S134-L138 VanDerWaalsContact O-N 3.08Å; Q135-L138 WeakPolarHBondContact O-CB 3.45Å; Q135-L138 PolarHBondContact O-N 2.75Å; Q135-L138 VanDerWaalsContact O-N 3.17Å; R136-L138 VanDerWaalsContact C-N 3.34Å; L138-L140 VanDerWaalsContact C-N 3.32Å; L138-L140 PolarHBondContact O-N 3.12Å; L138-S141 WeakPolarHBondContact O-CB 3.49Å; L138-S141 PolarHBondContact O-N 3.05Å; L138-S141 VanDerWaalsContact O-N 3.14Å; L138-S141 PolarHBondContact O-OG 3.3Å; L138-C142 PolarHBondContact O-N 3.48Å
139E93.4Very high90Very high101 Ų101127.7 Ų127.747%0.47262%0.624SS.*Hα-helixtrans-59-42.4176.3-71.3168.2-172.600112.5Q135 R136 S141 C142Q135-E139 PolarHBondContact NE2-OE1 3.2Å; Q135-E139 WeakPolarHBondContact O-CG 3.44Å; Q135-E139 PolarHBondContact O-N 3.4Å; R136-E139 PolarHBondContact O-N 3.07Å; E139-S141 VanDerWaalsContact C-N 3.32Å; E139-C142 WeakPolarHBondContact O-CB 3.37Å; E139-C142 PolarHBondContact O-N 3.32Å
140L92.9Very high89.1Confident111 Ų111127 Ų12758%0.58162%0.623SS**Hα-helixtrans-72.4-24.6178.1-71.5176000113.3R136 V137 L138 C142R136-L140 HydrophobicContact CG-CD1 4.26Å; R136-L140 WeakPolarHBondContact O-CB 3.47Å; R136-L140 VanDerWaalsContact O-CG 3.31Å; R136-L140 WeakPolarHBondContact O-CG 3.42Å; R136-L140 PolarHBondContact O-N 3.4Å; V137-L140 PolarHBondContact O-N 3.33Å; L138-L140 VanDerWaalsContact C-N 3.32Å; L138-L140 PolarHBondContact O-N 3.12Å; L140-C142 PolarHBondContact O-N 3Å
141S93.5Very high88.4Confident84 Ų84127.1 Ų127.159%0.58762%0.623SS**Hα-helixtrans-70.7-23.3176.277.40000112.5V137 L138 E139V137-S141 WeakPolarHBondContact O-CB 3.1Å; V137-S141 PolarHBondContact O-N 3.21Å; L138-S141 WeakPolarHBondContact O-CB 3.49Å; L138-S141 PolarHBondContact O-N 3.05Å; L138-S141 VanDerWaalsContact O-N 3.14Å; L138-S141 PolarHBondContact O-OG 3.3Å; E139-S141 VanDerWaalsContact C-N 3.32Å
142C91.4Very high87.6Confident85 Ų85124.1 Ų124.157%0.57464%0.637SS**SBendtrans-69.9125.9176-67.30000110.3L138 E139 L140 R144L138-C142 PolarHBondContact O-N 3.48Å; E139-C142 WeakPolarHBondContact O-CB 3.37Å; E139-C142 PolarHBondContact O-N 3.32Å; L140-C142 PolarHBondContact O-N 3Å; C142-R144 PolarHBondContact O-N 3.09Å
143P89.6Confident87Confident116 Ų116122.6 Ų122.675%0.75363%0.627SS**  trans-64.7137.6178.227.2-33.9000110.4I145P143-I145 PolarHBondContact O-N 3.41Å; P143-I145 VanDerWaalsContact O-N 3.09Å
144R85.4Confident86.6Confident207 Ų207123.8 Ų123.878%0.78163%0.63SS**  trans-69.3108.4175.3-163.1175.988.1-175.17.9109.5C142 R146C142-R144 PolarHBondContact O-N 3.09Å; R144-R146 PolarHBondContact O-N 3.32Å
145I83.1Confident85.9Confident161 Ų161125.2 Ų125.283%0.82664%0.638SS**PPolyproline II helixtrans-62.4118.8174.1-56.2173000107.9P143P143-I145 PolarHBondContact O-N 3.41Å; P143-I145 VanDerWaalsContact O-N 3.09Å
146R80.6Confident85.5Confident196 Ų196126.9 Ų126.974%0.7464%0.643SS**PPolyproline II helixtrans-94.6129.8171.8-61.7-175.1-179.5-164.10107R144R144-R146 PolarHBondContact O-N 3.32Å
147K81.1Confident85.3Confident179 Ų179124.6 Ų124.678%0.77865%0.646SS**PPolyproline II helixtrans-68139.8167.2-62.6-173.8179.1-174.40108D151K147-D151 HydrophobicContact CB-CB 4.4Å
148D80Confident84.9Confident126 Ų126125.5 Ų125.567%0.67465%0.651SS**PPolyproline II helixtrans-63.6148.6175.3-75.2-25.3000109.7Y150 D151D148-Y150 PolarHBondContact O-N 3.24Å; D148-D151 HydrophobicContact CB-CB 4.31Å; D148-D151 WeakPolarHBondContact O-CB 3.44Å; D148-D151 PolarHBondContact O-N 2.74Å
149V74.4Confident84.6Confident131 Ų131124.4 Ų124.479%0.79465%0.651SS**THydrogen-bonded Turntrans-57.1-22.2-177.3177.40000112.1
150Y70.1Confident84.6Confident162 Ų162126.8 Ų126.864%0.63566%0.662SS**THydrogen-bonded Turntrans-113.513.8-177.7-57.6-73.8000113.4D148 G152 Y153D148-Y150 PolarHBondContact O-N 3.24Å; Y150-G152 PolarHBondContact O-N 2.85Å; Y150-Y153 AromaticContact CD1-CD1 3.82Å; Y150-Y153 HydrophobicContact CD1-CD1 3.82Å; Y150-Y153 HydrophobicContact CD1-CE1 4.42Å; Y150-Y153 HydrophobicContact CD1-CG 4.01Å; Y150-Y153 WeakPolarHBondContact O-CB 3.36Å; Y150-Y153 PolarHBondContact O-N 3.22Å
151D79.2Confident84.5Confident118 Ų118125 Ų12563%0.63166%0.663SS**THydrogen-bonded Turntrans-67.1107.6-179.4-146.69.9000109.1K147 D148K147-D151 HydrophobicContact CB-CB 4.4Å; D148-D151 HydrophobicContact CB-CB 4.31Å; D148-D151 WeakPolarHBondContact O-CB 3.44Å; D148-D151 PolarHBondContact O-N 2.74Å
152G79.1Confident84.3Confident83 Ų83123.8 Ų123.886%0.85666%0.658SS**THydrogen-bonded Turntrans87.67.8-170.900000116.1Y150Y150-G152 PolarHBondContact O-N 2.85Å
153Y82.1Confident84.2Confident148 Ų148125.6 Ų125.658%0.5866%0.661SS**  trans-81.4118.2175.6-179.7-104.6000111.5Y150 P155Y150-Y153 AromaticContact CD1-CD1 3.82Å; Y150-Y153 HydrophobicContact CD1-CD1 3.82Å; Y150-Y153 HydrophobicContact CD1-CE1 4.42Å; Y150-Y153 HydrophobicContact CD1-CG 4.01Å; Y150-Y153 WeakPolarHBondContact O-CB 3.36Å; Y150-Y153 PolarHBondContact O-N 3.22Å; Y153-P155 HydrophobicContact CD1-CB 4.47Å; Y153-P155 HydrophobicContact CE1-CB 3.93Å
154N83Confident84.4Confident84 Ų84123.9 Ų123.945%0.44965%0.651SS.*  trans-94.9112170.5-178.8-10.4000109.7F156 V157N154-F156 PolarHBondContact O-N 3.33Å; N154-F156 VanDerWaalsContact O-N 3.12Å; N154-F156 PolarHBondContact OD1-N 3.2Å; N154-V157 HydrophobicContact CB-CG2 3.7Å; N154-V157 PolarHBondContact O-N 3.1Å
155P82.8Confident84.8Confident87 Ų87117.1 Ų117.157%0.56564%0.64SS**THydrogen-bonded Turntrans-67.7-12.2-175.928.8-35.7000114.1Y153Y153-P155 HydrophobicContact CD1-CB 4.47Å; Y153-P155 HydrophobicContact CE1-CB 3.93Å
156F87.4Confident85.3Confident180 Ų180116.8 Ų116.879%0.78964%0.639SS**THydrogen-bonded Turntrans-95.5-3.2-179.9-56.5-70.8000113.4N154 V158N154-F156 PolarHBondContact O-N 3.33Å; N154-F156 VanDerWaalsContact O-N 3.12Å; N154-F156 PolarHBondContact OD1-N 3.2Å; F156-V158 PolarHBondContact O-N 2.97Å
157V90.4Very high85.9Confident101 Ų101110.7 Ų110.761%0.61263%0.625SS**  trans-80.2111.2176.2176.60000109N154N154-V157 HydrophobicContact CB-CG2 3.7Å; N154-V157 PolarHBondContact O-N 3.1Å
158V88.3Confident86.6Confident85 Ų85104.9 Ų104.952%0.51561%0.607SS.*  trans-83.8130.9171.4-174.70000108.6F156 A162 L163F156-V158 PolarHBondContact O-N 2.97Å; V158-A162 HydrophobicContact CG1-CB 3.8Å; V158-L163 HydrophobicContact CB-CD2 4.18Å; V158-L163 HydrophobicContact CB-CG 4.3Å; V158-L163 HydrophobicContact CG1-CD2 3.82Å; V158-L163 HydrophobicContact CG1-CG 3.87Å
159S89.4Confident87.3Confident68 Ų68103.5 Ų103.548%0.47661%0.605SS.*  trans-63.2147.2176.873.70000111.4A161 A162 L163S159-A161 PolarHBondContact O-N 2.77Å; S159-A162 PolarHBondContact O-N 3.44Å; S159-A162 WeakPolarHBondContact OG-CB 3.38Å; S159-A162 PolarHBondContact OG-N 2.7Å; S159-L163 PolarHBondContact O-N 3.14Å; S159-L163 VanDerWaalsContact O-N 3.14Å
160H91.8Very high88.2Confident150 Ų150104.4 Ų104.469%0.69459%0.594SS**Hα-helixtrans-57.1-39.5177.7-173.562.5000112.3A162 L163 C164H160-A162 VanDerWaalsContact C-N 3.3Å; H160-A162 PolarHBondContact O-N 2.97Å; H160-L163 PolarHBondContact O-N 2.77Å; H160-L163 VanDerWaalsContact O-N 3.13Å; H160-C164 VanDerWaalsContact CE1-SG 3.55Å; H160-C164 PolarHBondContact O-N 3.26Å; H160-C164 PolarHBondContact O-SG 2.92Å
161A91.3Very high89.3Confident74 Ų74100.2 Ų100.261%0.61259%0.586SS**Hα-helixtrans-59.6-38.6175.800000112.8S159 C164 A165S159-A161 PolarHBondContact O-N 2.77Å; A161-C164 PolarHBondContact O-N 2.99Å; A161-A165 WeakPolarHBondContact O-CB 3.36Å; A161-A165 PolarHBondContact O-N 3.28Å; A161-A165 VanDerWaalsContact O-N 3.1Å
162A89.2Confident90.1Very high58 Ų5899 Ų9948%0.47958%0.579SS.*Hα-helixtrans-71.3-32.3176.900000112.5V158 S159 H160V158-A162 HydrophobicContact CG1-CB 3.8Å; S159-A162 PolarHBondContact O-N 3.44Å; S159-A162 WeakPolarHBondContact OG-CB 3.38Å; S159-A162 PolarHBondContact OG-N 2.7Å; H160-A162 VanDerWaalsContact C-N 3.3Å; H160-A162 PolarHBondContact O-N 2.97Å
163L90.8Very high90.7Very high124 Ų124100.8 Ų100.865%0.64957%0.565SS**Hα-helixtrans-70.1-32.6174.4-67.3174.1000112.6V158 S159 H160V158-L163 HydrophobicContact CB-CD2 4.18Å; V158-L163 HydrophobicContact CB-CG 4.3Å; V158-L163 HydrophobicContact CG1-CD2 3.82Å; V158-L163 HydrophobicContact CG1-CG 3.87Å; S159-L163 PolarHBondContact O-N 3.14Å; S159-L163 VanDerWaalsContact O-N 3.14Å; H160-L163 PolarHBondContact O-N 2.77Å; H160-L163 VanDerWaalsContact O-N 3.13Å
164C92.9Very high91.2Very high80 Ų8099.2 Ų99.254%0.54157%0.566SS.*THydrogen-bonded Turntrans-94.15.9179.1-61.60000113.6H160 A161 D166H160-C164 VanDerWaalsContact CE1-SG 3.55Å; H160-C164 PolarHBondContact O-N 3.26Å; H160-C164 PolarHBondContact O-SG 2.92Å; A161-C164 PolarHBondContact O-N 2.99Å; C164-D166 PolarHBondContact O-N 3.4Å
165A94.7Very high91.6Very high65 Ų6599.3 Ų99.354%0.53757%0.573SS.*PPolyproline II helixtrans-77.3122.2-177.300000111.1A161A161-A165 WeakPolarHBondContact O-CB 3.36Å; A161-A165 PolarHBondContact O-N 3.28Å; A161-A165 VanDerWaalsContact O-N 3.1Å
166D93.4Very high92Very high153 Ų15399.7 Ų99.782%0.81857%0.573SS**PPolyproline II helixtrans-75.1135173.4-71-40000111.3C164C164-D166 PolarHBondContact O-N 3.4Å
167P92.6Very high92Very high69 Ų6995 Ų9545%0.44856%0.561SS.*PPolyproline II helixtrans-70.1145.9178.929-35.2000111.7T171 L172P167-T171 HydrophobicContact CB-CG2 4.33Å; P167-L172 HydrophobicContact CB-CD2 4.29Å; P167-L172 HydrophobicContact CB-CG 4.28Å; P167-L172 HydrophobicContact CG-CD1 4.37Å; P167-L172 HydrophobicContact CG-CD2 3.6Å; P167-L172 HydrophobicContact CG-CG 3.91Å
168S95.3Very high91.8Very high56 Ų5694.6 Ų94.639%0.39256%0.555SS.*PPolyproline II helixtrans-63.4154.7175.283.80000112R170 T171 L172S168-R170 PolarHBondContact O-N 3.36Å; S168-R170 VanDerWaalsContact O-N 3.15Å; S168-T171 WeakPolarHBondContact O-CA 3.38Å; S168-T171 WeakPolarHBondContact O-CB 3.42Å; S168-T171 PolarHBondContact O-N 3.23Å; S168-T171 PolarHBondContact OG-N 3.39Å; S168-T171 PolarHBondContact OG-OG1 2.93Å; S168-L172 PolarHBondContact O-N 3.46Å
169P94.8Very high91.5Very high98 Ų9895.9 Ų95.964%0.63657%0.565SS**Hα-helixtrans-54.5-36.5176.4-26.734.4000113.4L172 Q173P169-L172 PolarHBondContact O-N 3.44Å; P169-Q173 WeakPolarHBondContact O-CG 3.34Å; P169-Q173 PolarHBondContact O-N 3.12Å
170R93.9Very high91.2Very high149 Ų149102.8 Ų102.856%0.56258%0.581SS**Hα-helixtrans-65.8-40.9176.7-174.173.9-173.8119.52.5111.7S168 L172 Q173 L174S168-R170 PolarHBondContact O-N 3.36Å; S168-R170 VanDerWaalsContact O-N 3.15Å; R170-L172 VanDerWaalsContact C-N 3.35Å; R170-Q173 PolarHBondContact O-N 3.44Å; R170-L174 HydrophobicContact CG-CD1 4.33Å; R170-L174 WeakPolarHBondContact O-CG 3.43Å; R170-L174 PolarHBondContact O-N 2.73Å
171T94.3Very high90.6Very high75 Ų75102.9 Ų102.946%0.4658%0.579SS.*Hα-helixtrans-64.1-42.9177.8-480000110.6P167 S168 L174 S175P167-T171 HydrophobicContact CB-CG2 4.33Å; S168-T171 WeakPolarHBondContact O-CA 3.38Å; S168-T171 WeakPolarHBondContact O-CB 3.42Å; S168-T171 PolarHBondContact O-N 3.23Å; S168-T171 PolarHBondContact OG-N 3.39Å; S168-T171 PolarHBondContact OG-OG1 2.93Å; T171-L174 PolarHBondContact O-N 3.42Å; T171-S175 PolarHBondContact O-N 3.46Å
172L94.2Very high90Very high93 Ų93102.5 Ų102.549%0.48757%0.572SS.*Hα-helixtrans-59.6-47.2174.6-70.8173.1000111.3P167 S168 P169 R170 L174 S175 V176P167-L172 HydrophobicContact CB-CD2 4.29Å; P167-L172 HydrophobicContact CB-CG 4.28Å; P167-L172 HydrophobicContact CG-CD1 4.37Å; P167-L172 HydrophobicContact CG-CD2 3.6Å; P167-L172 HydrophobicContact CG-CG 3.91Å; S168-L172 PolarHBondContact O-N 3.46Å; P169-L172 PolarHBondContact O-N 3.44Å; R170-L172 VanDerWaalsContact C-N 3.35Å; L172-L174 VanDerWaalsContact C-N 3.31Å; L172-L174 PolarHBondContact O-N 2.85Å; L172-S175 PolarHBondContact O-N 3.36Å; L172-S175 PolarHBondContact O-OG 2.83Å; L172-V176 PolarHBondContact O-N 2.96Å
173Q92.6Very high89.4Confident119 Ų119105.5 Ų105.556%0.55658%0.584SS**Hα-helixtrans-58.4-41.3175.9-72172.6-0.100112.9P169 R170 V176P169-Q173 WeakPolarHBondContact O-CG 3.34Å; P169-Q173 PolarHBondContact O-N 3.12Å; R170-Q173 PolarHBondContact O-N 3.44Å; Q173-V176 PolarHBondContact O-N 3.41Å
174L92.2Very high88.4Confident115 Ų115105.6 Ų105.660%0.60259%0.592SS**Hα-helixtrans-73.7-26.9-179.8-70.9175.1000113.2R170 T171 L172 V176R170-L174 HydrophobicContact CG-CD1 4.33Å; R170-L174 WeakPolarHBondContact O-CG 3.43Å; R170-L174 PolarHBondContact O-N 2.73Å; T171-L174 PolarHBondContact O-N 3.42Å; L172-L174 VanDerWaalsContact C-N 3.31Å; L172-L174 PolarHBondContact O-N 2.85Å; L174-V176 PolarHBondContact O-N 3.07Å
175S91.6Very high87.1Confident86 Ų86111.3 Ų111.360%0.60161%0.608SS**Hα-helixtrans-69.9-17.8174.768.40000113.3T171 L172T171-S175 PolarHBondContact O-N 3.46Å; L172-S175 PolarHBondContact O-N 3.36Å; L172-S175 PolarHBondContact O-OG 2.83Å
176V90.3Very high85.5Confident95 Ų95112.9 Ų112.958%0.57662%0.621SS**SBendtrans-68.6126.3174.4-178.70000108.8L172 Q173 L174L172-V176 PolarHBondContact O-N 2.96Å; Q173-V176 PolarHBondContact O-N 3.41Å; L174-V176 PolarHBondContact O-N 3.07Å
177P87.8Confident83.7Confident82 Ų82109.9 Ų109.953%0.53261%0.612SS.*PPolyproline II helixtrans-61142178.125-33.6000110.5
178L86.9Confident82.2Confident92 Ų92111.7 Ų111.748%0.48262%0.624SS.*PPolyproline II helixtrans-59137176.8-67.9172.4000109.7R180 K181 C182L178-R180 HydrophobicContact CB-CG 4.15Å; L178-R180 PolarHBondContact O-N 2.9Å; L178-K181 HydrophobicContact CB-CG 4.42Å; L178-K181 WeakPolarHBondContact O-CA 3.34Å; L178-K181 WeakPolarHBondContact O-CB 3.28Å; L178-K181 PolarHBondContact O-N 3.49Å; L178-C182 PolarHBondContact O-N 2.86Å
179P81Confident80.5Confident113 Ų113118.1 Ų118.173%0.73464%0.641SS**G310 helixtrans-52.6-38.3-176.7-28.333.5000113.6K181 C182P179-K181 PolarHBondContact O-N 3.42Å; P179-C182 PolarHBondContact O-N 3.47Å
180R83.3Confident78.4Confident212 Ų212121.8 Ų121.880%0.865%0.649SS**G310 helixtrans-65.5-14.6176.466.5178.1179.1142.7-3.5115.4L178L178-R180 HydrophobicContact CB-CG 4.15Å; L178-R180 PolarHBondContact O-N 2.9Å
181K80.6Confident76Confident152 Ų152127.2 Ų127.266%0.66168%0.684SS**G310 helixtrans-105.2-4.2178.5-64.2-159.9175.3-165.40112.5L178 P179 T183L178-K181 HydrophobicContact CB-CG 4.42Å; L178-K181 WeakPolarHBondContact O-CA 3.34Å; L178-K181 WeakPolarHBondContact O-CB 3.28Å; L178-K181 PolarHBondContact O-N 3.49Å; P179-K181 PolarHBondContact O-N 3.42Å; K181-T183 PolarHBondContact O-N 3.36Å
182C78.3Confident75.1Confident67 Ų67129.9 Ų129.945%0.45370%0.695SS.*  trans-81108.9172.1-60.10000108L178 P179L178-C182 PolarHBondContact O-N 2.86Å; P179-C182 PolarHBondContact O-N 3.47Å
183T75.5Confident74.1Confident121 Ų121131.8 Ų131.874%0.74271%0.706SS**  trans-78.1133.616549.80000108.4K181 K185K181-T183 PolarHBondContact O-N 3.36Å; T183-K185 PolarHBondContact O-N 2.99Å; T183-K185 VanDerWaalsContact O-N 3.13Å
184P71Confident73Confident126 Ų126132.5 Ų132.582%0.81871%0.714SS**  trans-62.6119.8174.324-30.1000108.5A186P184-A186 PolarHBondContact O-N 3.11Å
185K65.9Low71.9Confident199 Ų199133.5 Ų133.587%0.86572%0.721SS**  trans-68.3113165.3-77.9-177.1176.6179.50106.8T183 S187T183-K185 PolarHBondContact O-N 2.99Å; T183-K185 VanDerWaalsContact O-N 3.13Å; K185-S187 PolarHBondContact O-N 3.26Å; K185-S187 VanDerWaalsContact O-N 3.09Å
186A59.9Low70.7Confident98 Ų98136.5 Ų136.581%0.8173%0.729SS**  trans-61.7110.316500000107.5P184 P188P184-A186 PolarHBondContact O-N 3.11Å; A186-P188 WeakPolarHBondContact O-CD 3.48Å
187S55.5Low69.4Low90 Ų90139.3 Ų139.363%0.62974%0.739SS**  trans-77.9120.8170.3-1760000108K185 Y189K185-S187 PolarHBondContact O-N 3.26Å; K185-S187 VanDerWaalsContact O-N 3.09Å; S187-Y189 VanDerWaalsContact C-N 3.25Å; S187-Y189 PolarHBondContact O-N 3.16Å
188P61.8Low68.1Low107 Ų107143.4 Ų143.470%0.69575%0.753SS**SBendtrans-828.7-176.125.4-21.8000114.6A186A186-P188 WeakPolarHBondContact O-CD 3.48Å
189Y59.4Low66.6Low192 Ų192147.3 Ų147.375%0.75377%0.774SS**  trans-127.881.4-176-58-73.6000111.9S187S187-Y189 VanDerWaalsContact C-N 3.25Å; S187-Y189 PolarHBondContact O-N 3.16Å
190H51.2Low65.4Low174 Ų174150.2 Ų150.281%0.80678%0.778SS**  trans-148.791.1152.9-88.6-58.3000108
191M42.8Very low63.8Low264 Ų264144.5 Ų144.5100%1.378%0.776SS**  trans-137.70155.6-76.6-69.914300106.4

Retrieved 191 of 191 residues in 124.4 ms (Link to these results)