A0A087Y3P3_POEFO Loading...

Serotonin N-acetyltransferase

AlphaFold DB , UniProt , Accession A0A087Y3P3, Species POEFO (Poecilia formosa, Amazon molly), Gene AANAT, Length 203 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	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
1	M	41.6	Very low	41.3	Very low	250 Å²	250	153.2 Å²	153.2	100%	1.232	87%	0.867	S	S	*	*				0	112.7	0	-64.6	-162.7	-159.9	0	0	108.4
2	S	36.9	Very low	41.1	Very low	115 Å²	115	149.3 Å²	149.3	80%	0.804	85%	0.852	S	S	*	*			trans	-172.8	130.6	146.8	-163.8	0	0	0	0	108.2
3	V	38.3	Very low	41.2	Very low	138 Å²	138	151 Å²	151	84%	0.836	86%	0.856	S	S	*	*			trans	-96.7	129.8	-176	-167.7	0	0	0	0	107
4	L	38.5	Very low	41.7	Very low	170 Å²	170	152.9 Å²	152.9	89%	0.89	85%	0.853	S	S	*	*			trans	-139.1	109.3	164.2	-93.3	161.2	0	0	0	108.4
5	G	37.6	Very low	41.9	Very low	75 Å²	75	154.1 Å²	154.1	77%	0.773	85%	0.849	S	S	*	*			trans	-75.6	152.3	176.9	0	0	0	0	0	112.4
6	A	40.8	Very low	42.3	Very low	105 Å²	105	151.9 Å²	151.9	87%	0.868	84%	0.841	S	S	*	*			trans	-138.1	131	162.6	0	0	0	0	0	108.8
7	L	44.5	Very low	42.4	Very low	169 Å²	169	156.2 Å²	156.2	89%	0.885	84%	0.842	S	S	*	*			trans	-64.5	151.4	-173.6	-69	151.1	0	0	0	112.6	F9	L7-F9 PolarHBondContact O-N 3.2Å
8	P	41.7	Very low	42.8	Very low	119 Å²	119	153 Å²	153	77%	0.773	83%	0.833	S	S	*	*			trans	-73.9	128.1	174.9	29.1	-31.4	0	0	0	111.6	M10	P8-M10 PolarHBondContact O-N 3.11Å
9	F	43.6	Very low	43.1	Very low	190 Å²	190	151.6 Å²	151.6	83%	0.833	83%	0.832	S	S	*	*			trans	-58.5	111.7	172.2	-176.1	-98.5	0	0	0	110.8	L7 K11	L7-F9 PolarHBondContact O-N 3.2Å; F9-K11 PolarHBondContact O-N 3.06Å
10	M	42.9	Very low	43.8	Very low	174 Å²	174	150.1 Å²	150.1	86%	0.857	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-66.9	119.7	174.3	-67.1	-168	78	0	0	110.2	P8	P8-M10 PolarHBondContact O-N 3.11Å
11	K	47.4	Very low	44.3	Very low	180 Å²	180	148.6 Å²	148.6	78%	0.783	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-73.1	138.9	167.8	-74.8	175.3	176.1	176.3	0	109.5	F9 L13	F9-K11 PolarHBondContact O-N 3.06Å; K11-L13 PolarHBondContact O-N 2.56Å
12	P	39.6	Very low	45.1	Very low	107 Å²	107	145.6 Å²	145.6	70%	0.695	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-69.3	127.6	172	1.5	10.8	0	0	0	109.7	H14	P12-H14 PolarHBondContact O-N 2.94Å
13	L	42.2	Very low	46	Very low	171 Å²	171	143.3 Å²	143.3	90%	0.895	80%	0.802	S	S	*	*			trans	-64.4	114.7	165.7	-95.7	92.9	0	0	0	108.4	K11 H15	K11-L13 PolarHBondContact O-N 2.56Å; L13-H15 PolarHBondContact O-N 3.44Å
14	H	48.3	Very low	47	Very low	178 Å²	178	147.1 Å²	147.1	82%	0.824	80%	0.802	S	S	*	*			trans	-63.4	107.6	160.7	-73.5	-75.4	0	0	0	108	P12 V16	P12-H14 PolarHBondContact O-N 2.94Å; H14-V16 VanDerWaalsContact C-N 3.32Å; H14-V16 PolarHBondContact O-N 3.14Å
15	H	44.8	Very low	48.1	Very low	171 Å²	171	150.8 Å²	150.8	79%	0.792	80%	0.804	S	S	*	*			trans	-68.1	94.1	171.5	-160.8	-8.1	0	0	0	107.9	L13 R17	L13-H15 PolarHBondContact O-N 3.44Å; H15-R17 PolarHBondContact O-N 3.35Å
16	V	47.5	Very low	49.9	Very low	118 Å²	118	155.6 Å²	155.6	72%	0.715	81%	0.806	S	S	*	*			trans	-63.3	105.1	164.3	178.8	0	0	0	0	105.6	H14 S18	H14-V16 VanDerWaalsContact C-N 3.32Å; H14-V16 PolarHBondContact O-N 3.14Å; V16-S18 PolarHBondContact O-N 3.31Å; V16-S18 VanDerWaalsContact O-N 3.08Å
17	R	45.3	Very low	51.9	Low	226 Å²	226	156.7 Å²	156.7	85%	0.853	80%	0.802	S	S	*	*			trans	-66	104.4	167.3	-91	-179.6	171.5	176.3	-2.2	106.8	H15	H15-R17 PolarHBondContact O-N 3.35Å
18	S	49.8	Very low	53.8	Low	98 Å²	98	154.7 Å²	154.7	69%	0.685	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-54.7	129.2	164.5	-52.6	0	0	0	0	108.3	V16 V20	V16-S18 PolarHBondContact O-N 3.31Å; V16-S18 VanDerWaalsContact O-N 3.08Å; S18-V20 PolarHBondContact O-N 3.07Å; S18-V20 VanDerWaalsContact O-N 3.11Å
19	P	47.2	Very low	56.2	Low	126 Å²	126	151.9 Å²	151.9	82%	0.818	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-63.8	119	174.8	25.2	-30.2	0	0	0	107.9
20	V	58.5	Low	58.6	Low	122 Å²	122	146.5 Å²	146.5	74%	0.739	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-53.5	127.6	169	-179.7	0	0	0	0	107	S18 Q22	S18-V20 PolarHBondContact O-N 3.07Å; S18-V20 VanDerWaalsContact O-N 3.11Å; V20-Q22 PolarHBondContact O-N 3.12Å
21	P	52.7	Low	61.1	Low	119 Å²	119	141 Å²	141	77%	0.773	74%	0.743	S	S	*	*			trans	-63.3	108.2	173.9	-0.2	11.3	0	0	0	106.6	G23	P21-G23 PolarHBondContact O-N 3.45Å
22	Q	59.2	Low	63.5	Low	186 Å²	186	135.9 Å²	135.9	87%	0.869	72%	0.721	S	S	*	*			trans	-59.6	108	168	-75.8	177.7	-15.8	0	0	106.2	V20 R24	V20-Q22 PolarHBondContact O-N 3.12Å; Q22-R24 PolarHBondContact O-N 3.15Å; Q22-R24 VanDerWaalsContact O-N 3.12Å
23	G	55.4	Low	66.3	Low	67 Å²	67	133.2 Å²	133.2	69%	0.691	70%	0.699	S	S	*	*			trans	-50.3	122.1	177.5	0	0	0	0	0	109	P21 R25	P21-G23 PolarHBondContact O-N 3.45Å; G23-R25 PolarHBondContact O-N 3.39Å; G23-R25 VanDerWaalsContact O-N 3.07Å
24	R	59.1	Low	69	Low	219 Å²	219	128.6 Å²	128.6	83%	0.826	67%	0.669	S	S	*	*			trans	-54.3	118.9	172.4	-85.1	176.9	171	168.6	-3.2	106.9	Q22 H26	Q22-R24 PolarHBondContact O-N 3.15Å; Q22-R24 VanDerWaalsContact O-N 3.12Å; R24-H26 PolarHBondContact O-CD2 2.98Å; R24-H26 PolarHBondContact O-N 2.92Å
25	R	62.1	Low	71.4	Confident	247 Å²	247	122.6 Å²	122.6	93%	0.932	65%	0.648	S	S	*	*			trans	-63.5	104.4	168.2	-71.2	-178.4	178.5	-177.8	-0.9	106.6	G23 T27	G23-R25 PolarHBondContact O-N 3.39Å; G23-R25 VanDerWaalsContact O-N 3.07Å; R25-T27 PolarHBondContact O-N 3.32Å
26	H	74.8	Confident	73.9	Confident	176 Å²	176	114.6 Å²	114.6	82%	0.815	61%	0.611	S	S	*	*			trans	-75	110.9	174.6	-69.5	-86	0	0	0	107.8	R24	R24-H26 PolarHBondContact O-CD2 2.98Å; R24-H26 PolarHBondContact O-N 2.92Å
27	T	82.4	Confident	76.3	Confident	127 Å²	127	110.6 Å²	110.6	78%	0.779	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-84.2	142.5	166.1	53.4	0	0	0	0	108.8	R25	R25-T27 PolarHBondContact O-N 3.32Å
28	L	85.4	Confident	78.9	Confident	127 Å²	127	102.7 Å²	102.7	67%	0.665	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-63.8	137.5	176.9	-64.5	173.9	0	0	0	110
29	P	91.5	Very high	81.1	Confident	61 Å²	61	106.3 Å²	106.3	40%	0.396	57%	0.572	S	S	.	*	P	Polyproline II helix	trans	-59.8	142.8	172.7	-21.2	32.4	0	0	0	111.1	S31 E32 E83	P29-S31 VanDerWaalsContact C-N 3.28Å; P29-S31 PolarHBondContact O-N 3.35Å; P29-E32 HydrophobicContact CB-CB 4.27Å; P29-E32 HydrophobicContact CG-CB 4.48Å; P29-E83 WeakPolarHBondContact O-CA 3.47Å; P29-E83 PolarHBondContact O-N 3.14Å
30	A	93.7	Very high	83.6	Confident	77 Å²	77	100.9 Å²	100.9	64%	0.636	54%	0.536	S	S	*	.	S	Bend	trans	-62.7	-37.8	173	0	0	0	0	0	111.6	E82 E83	A30-E82 WeakPolarHBondContact O-CA 3.07Å; A30-E83 PolarHBondContact O-N 3.45Å; A30-E83 VanDerWaalsContact O-N 3.14Å
31	S	96.8	Very high	85.5	Confident	59 Å²	59	95.1 Å²	95.1	41%	0.413	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	137.6	174	-178.3	0	0	0	0	110.1	P29 W80 F81	P29-S31 VanDerWaalsContact C-N 3.28Å; P29-S31 PolarHBondContact O-N 3.35Å; S31-W80 PolarHBondContact OG-NE1 3.27Å; S31-F81 CarbonylContact C-O 3.59Å; S31-F81 VanDerWaalsContact CA-O 3.31Å; S31-F81 WeakPolarHBondContact CA-O 3.31Å
32	E	97.3	Very high	87.6	Confident	71 Å²	71	93.9 Å²	93.9	33%	0.332	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	144.5	-179.7	178	178.6	-168.2	0	0	110.8	P29 R34 W80 F81	P29-E32 HydrophobicContact CB-CB 4.27Å; P29-E32 HydrophobicContact CG-CB 4.48Å; E32-R34 HydrophobicContact CG-CG 4.43Å; E32-W80 WeakPolarHBondContact O-CA 3.24Å; E32-F81 HydrophobicContact CB-CB 4.31Å; E32-F81 PolarHBondContact N-O 3.39Å; E32-F81 PolarHBondContact O-N 2.81Å
33	F	98.4	Very high	89.5	Confident	51 Å²	51	87.2 Å²	87.2	22%	0.224	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	124	168.9	-64.5	-91.8	0	0	0	108.6	L78 G79 W80 I134 L135	F33-L78 HydrophobicContact CB-CD1 4.41Å; F33-G79 WeakPolarHBondContact CA-O 3.35Å; F33-W80 HydrophobicContact CD1-CB 3.96Å; F33-W80 HydrophobicContact CD1-CD2 4.4Å; F33-W80 HydrophobicContact CD1-CG 4.04Å; F33-W80 HydrophobicContact CE1-CB 3.77Å; F33-W80 AromaticContact CE1-CD2 3.42Å; F33-W80 HydrophobicContact CE1-CD2 3.42Å; F33-W80 VanDerWaalsContact CE1-CD2 3.42Å; F33-W80 AromaticContact CE1-CE3 3.56Å; F33-W80 HydrophobicContact CE1-CE3 3.56Å; F33-W80 AromaticContact CE1-CG 3.51Å; F33-W80 HydrophobicContact CE1-CG 3.51Å; F33-W80 HydrophobicContact CE1-CZ3 4.21Å; F33-W80 HydrophobicContact CE2-CD2 4.47Å; F33-W80 AromaticContact CZ-CD2 3.46Å; F33-W80 HydrophobicContact CZ-CD2 3.46Å; F33-W80 VanDerWaalsContact CZ-CD2 3.46Å; F33-W80 AromaticContact CZ-CE2 3.55Å; F33-W80 AromaticContact CZ-CE3 3.73Å; F33-W80 HydrophobicContact CZ-CE3 3.73Å; F33-W80 AromaticContact CZ-CG 3.83Å; F33-W80 HydrophobicContact CZ-CG 3.83Å; F33-W80 HydrophobicContact CZ-CH2 4.15Å; F33-W80 AromaticContact CZ-CZ2 3.93Å; F33-W80 HydrophobicContact CZ-CZ2 3.93Å; F33-W80 HydrophobicContact CZ-CZ3 4.03Å; F33-W80 AromaticContact CZ-NE1 3.93Å; F33-I134 HydrophobicContact CZ-CG2 4.25Å; F33-L135 HydrophobicContact CD1-CD1 4.06Å; F33-L135 HydrophobicContact CE1-CD1 4.15Å
34	R	98.1	Very high	91.5	Very high	74 Å²	74	84 Å²	84	28%	0.279	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	161.4	178.9	60.7	169.1	-178.3	80.6	-4.9	111.5	E32 D40 G79 F81	E32-R34 HydrophobicContact CG-CG 4.43Å; R34-D40 IonicContact CZ-OD1 3.7Å; R34-D40 IonicContact CZ-OD2 3.46Å; R34-D40 IonicContact NH1-OD1 2.87Å; R34-D40 IonicContact NH1-OD2 3.47Å; R34-D40 PolarHBondContact NH1-OD2 2.88Å; R34-D40 IonicContact NH2-OD1 2.77Å; R34-D40 PolarHBondContact NH2-OD1 3.18Å; R34-D40 IonicContact NH2-OD2 3.29Å; R34-D40 PolarHBondContact NH2-OD2 2.88Å; R34-G79 PolarHBondContact N-O 2.88Å; R34-G79 VanDerWaalsContact N-O 3.13Å; R34-G79 PolarHBondContact O-N 3.45Å; R34-F81 HydrophobicContact CG-CD2 3.92Å; R34-F81 HydrophobicContact CG-CE2 3.59Å; R34-F81 VanDerWaalsContact NH2-CE1 3.27Å
35	S	98.4	Very high	93.3	Very high	53 Å²	53	75.9 Å²	75.9	37%	0.371	40%	0.399	S	S	.	.			trans	-59.6	146.4	164.2	-64	0	0	0	0	110	P74 S77	S35-P74 WeakPolarHBondContact CB-O 3.37Å; S35-S77 PolarHBondContact OG-O 3.37Å
36	L	98.7	Very high	94.9	Very high	3 Å²	3	69 Å²	69	2%	0.016	38%	0.377	C	S	.	.			trans	-80.3	154.7	175.4	-55.2	172.7	0	0	0	109.8	D40 V44 L70 P74 S77 F81 L86 F89 I91	L36-D40 VanDerWaalsContact CA-OD2 3.31Å; L36-D40 WeakPolarHBondContact CA-OD2 3.32Å; L36-D40 HydrophobicContact CB-CB 4.34Å; L36-D40 HydrophobicContact CD2-CB 4.17Å; L36-V44 HydrophobicContact CD1-CG2 3.91Å; L36-L70 HydrophobicContact CB-CD1 3.95Å; L36-L70 HydrophobicContact CB-CD2 3.66Å; L36-L70 HydrophobicContact CB-CG 4.44Å; L36-L70 HydrophobicContact CD1-CD1 4.49Å; L36-L70 HydrophobicContact CD1-CD2 4.16Å; L36-P74 WeakPolarHBondContact O-CB 3.4Å; L36-S77 WeakPolarHBondContact CB-OG 3.49Å; L36-S77 PolarHBondContact N-OG 3.33Å; L36-F81 HydrophobicContact CD2-CE2 4.08Å; L36-F81 HydrophobicContact CD2-CZ 3.84Å; L36-L86 HydrophobicContact CD2-CD1 3.97Å; L36-F89 HydrophobicContact CD1-CB 4.01Å; L36-F89 HydrophobicContact CD1-CD2 4.48Å; L36-I91 HydrophobicContact CD1-CD1 4.45Å; L36-I91 HydrophobicContact CD1-CG1 4.03Å
37	S	98.2	Very high	96	Very high	34 Å²	34	61 Å²	61	24%	0.238	34%	0.34	C	S	.	.			trans	-118	167.7	171.1	77.2	0	0	0	0	110.1	E39 D40 L70	S37-E39 PolarHBondContact O-N 3.12Å; S37-E39 WeakPolarHBondContact OG-CB 3.42Å; S37-E39 PolarHBondContact OG-N 3.5Å; S37-D40 PolarHBondContact N-OD2 3.26Å; S37-D40 WeakPolarHBondContact O-CB 3.31Å; S37-D40 PolarHBondContact O-N 3.38Å; S37-L70 VanDerWaalsContact O-CD1 3.26Å; S37-L70 WeakPolarHBondContact O-CD1 3.41Å
38	P	98.3	Very high	96.5	Very high	59 Å²	59	54.9 Å²	54.9	38%	0.383	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-55.5	-21.8	174	-27.8	36.8	0	0	0	114.5	D40 A41 L70	P38-D40 VanDerWaalsContact C-N 3.29Å; P38-D40 PolarHBondContact O-N 2.96Å; P38-A41 VanDerWaalsContact O-CB 3.23Å; P38-A41 WeakPolarHBondContact O-CB 3.5Å; P38-A41 PolarHBondContact O-N 2.87Å; P38-L70 HydrophobicContact CG-CB 4.36Å
39	E	97.9	Very high	96.9	Very high	174 Å²	174	55 Å²	55	81%	0.813	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-69.8	-26.8	176	-59.5	173.1	177.9	0	0	112.1	S37 A41	S37-E39 PolarHBondContact O-N 3.12Å; S37-E39 WeakPolarHBondContact OG-CB 3.42Å; S37-E39 PolarHBondContact OG-N 3.5Å; E39-A41 VanDerWaalsContact C-N 3.26Å; E39-A41 PolarHBondContact O-N 2.89Å
40	D	98.4	Very high	96.9	Very high	13 Å²	13	54.4 Å²	54.4	7%	0.07	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-78.5	-9.8	177.3	-59.1	-55	0	0	0	112.8	R34 L36 S37 P38 I42 S43 V44	R34-D40 IonicContact CZ-OD1 3.7Å; R34-D40 IonicContact CZ-OD2 3.46Å; R34-D40 IonicContact NH1-OD1 2.87Å; R34-D40 IonicContact NH1-OD2 3.47Å; R34-D40 PolarHBondContact NH1-OD2 2.88Å; R34-D40 IonicContact NH2-OD1 2.77Å; R34-D40 PolarHBondContact NH2-OD1 3.18Å; R34-D40 IonicContact NH2-OD2 3.29Å; R34-D40 PolarHBondContact NH2-OD2 2.88Å; L36-D40 VanDerWaalsContact CA-OD2 3.31Å; L36-D40 WeakPolarHBondContact CA-OD2 3.32Å; L36-D40 HydrophobicContact CB-CB 4.34Å; L36-D40 HydrophobicContact CD2-CB 4.17Å; S37-D40 PolarHBondContact N-OD2 3.26Å; S37-D40 WeakPolarHBondContact O-CB 3.31Å; S37-D40 PolarHBondContact O-N 3.38Å; P38-D40 VanDerWaalsContact C-N 3.29Å; P38-D40 PolarHBondContact O-N 2.96Å; D40-I42 VanDerWaalsContact C-N 3.27Å; D40-I42 PolarHBondContact O-N 3.31Å; D40-S43 WeakPolarHBondContact O-CB 3.35Å; D40-S43 PolarHBondContact O-N 3.32Å; D40-V44 PolarHBondContact O-N 2.85Å
41	A	98.2	Very high	96.8	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-58.8	-35.3	-169.7	0	0	0	0	0	113.7	P38 E39 F45 L63 V66 R67 L70	P38-A41 VanDerWaalsContact O-CB 3.23Å; P38-A41 WeakPolarHBondContact O-CB 3.5Å; P38-A41 PolarHBondContact O-N 2.87Å; E39-A41 VanDerWaalsContact C-N 3.26Å; E39-A41 PolarHBondContact O-N 2.89Å; A41-F45 WeakPolarHBondContact O-CB 3.48Å; A41-F45 PolarHBondContact O-N 3.13Å; A41-L63 HydrophobicContact CB-CD1 3.99Å; A41-V66 HydrophobicContact CB-CG1 3.68Å; A41-R67 HydrophobicContact CB-CG 3.63Å; A41-L70 HydrophobicContact CB-CD1 4.47Å
42	I	97.9	Very high	96.4	Very high	93 Å²	93	51.4 Å²	51.4	48%	0.477	26%	0.255	S	S	.	.	H	α-helix	trans	-66.1	-46.7	176.3	-63.3	174.2	0	0	0	110	D40 V44 F45 E46 L63	D40-I42 VanDerWaalsContact C-N 3.27Å; D40-I42 PolarHBondContact O-N 3.31Å; I42-V44 VanDerWaalsContact C-N 3.31Å; I42-V44 PolarHBondContact O-N 3.43Å; I42-F45 PolarHBondContact O-N 2.81Å; I42-E46 WeakPolarHBondContact O-CG 3.43Å; I42-E46 PolarHBondContact O-N 3.08Å; I42-L63 HydrophobicContact CG1-CD1 4.46Å
43	S	97.8	Very high	96	Very high	47 Å²	47	50.6 Å²	50.6	33%	0.329	25%	0.253	S	S	.	.	H	α-helix	trans	-62.8	-39	179	-56.3	0	0	0	0	111.8	D40 I47	D40-S43 WeakPolarHBondContact O-CB 3.35Å; D40-S43 PolarHBondContact O-N 3.32Å; S43-I47 WeakPolarHBondContact O-CG1 3.5Å; S43-I47 PolarHBondContact O-N 2.96Å
44	V	98.3	Very high	95.3	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-58.8	-54.8	172.8	166.1	0	0	0	0	110.3	L36 D40 I42 E46 I47 E48 V66 L86 F89 I91	L36-V44 HydrophobicContact CD1-CG2 3.91Å; D40-V44 PolarHBondContact O-N 2.85Å; I42-V44 VanDerWaalsContact C-N 3.31Å; I42-V44 PolarHBondContact O-N 3.43Å; V44-E46 VanDerWaalsContact C-N 3.29Å; V44-E46 PolarHBondContact O-N 2.89Å; V44-I47 PolarHBondContact O-N 2.94Å; V44-I47 VanDerWaalsContact O-N 3.1Å; V44-E48 PolarHBondContact O-N 3.08Å; V44-V66 HydrophobicContact CB-CG1 3.98Å; V44-V66 HydrophobicContact CG1-CB 4.41Å; V44-V66 HydrophobicContact CG1-CG1 3.67Å; V44-V66 HydrophobicContact CG1-CG2 3.76Å; V44-V66 HydrophobicContact CG2-CG1 4.48Å; V44-L86 HydrophobicContact CG2-CD2 3.7Å; V44-F89 HydrophobicContact CB-CE1 4.46Å; V44-F89 HydrophobicContact CB-CZ 4.46Å; V44-F89 HydrophobicContact CG1-CD2 4.15Å; V44-F89 HydrophobicContact CG1-CE1 4.06Å; V44-F89 HydrophobicContact CG1-CE2 3.62Å; V44-F89 HydrophobicContact CG1-CZ 3.61Å; V44-F89 HydrophobicContact CG2-CD1 4.35Å; V44-F89 HydrophobicContact CG2-CD2 4.33Å; V44-F89 HydrophobicContact CG2-CG 4.22Å; V44-I91 HydrophobicContact CG1-CD1 3.77Å; V44-I91 HydrophobicContact CG2-CD1 4.48Å
45	F	96.8	Very high	94.6	Very high	47 Å²	47	54.8 Å²	54.8	21%	0.206	29%	0.294	C	S	.	.	H	α-helix	trans	-63.4	-33.8	-176.5	-175.6	-109.9	0	0	0	112.7	A41 I42 E48 R49 I53 L63	A41-F45 WeakPolarHBondContact O-CB 3.48Å; A41-F45 PolarHBondContact O-N 3.13Å; I42-F45 PolarHBondContact O-N 2.81Å; F45-E48 PolarHBondContact O-N 3Å; F45-R49 WeakPolarHBondContact O-CB 3.49Å; F45-R49 PolarHBondContact O-N 3.4Å; F45-I53 HydrophobicContact CE2-CD1 4.27Å; F45-I53 HydrophobicContact CZ-CD1 4.22Å; F45-L63 HydrophobicContact CB-CD1 4.04Å; F45-L63 HydrophobicContact CD1-CB 4.41Å; F45-L63 HydrophobicContact CD2-CB 4.28Å; F45-L63 HydrophobicContact CG-CB 4.14Å; F45-L63 HydrophobicContact CG-CD1 4.49Å
46	E	96.2	Very high	93.9	Very high	104 Å²	104	54.3 Å²	54.3	49%	0.486	29%	0.291	S	S	.	.	H	α-helix	trans	-62.7	-41.3	173.9	-76.1	-176	163.1	0	0	112.7	I42 V44 E50	I42-E46 WeakPolarHBondContact O-CG 3.43Å; I42-E46 PolarHBondContact O-N 3.08Å; V44-E46 VanDerWaalsContact C-N 3.29Å; V44-E46 PolarHBondContact O-N 2.89Å; E46-E50 PolarHBondContact O-N 2.91Å
47	I	96.6	Very high	93.4	Very high	6 Å²	6	56.6 Å²	56.6	3%	0.031	32%	0.315	C	S	.	.	H	α-helix	trans	-68.2	-41.7	174.9	-65.5	169.3	0	0	0	110.3	S43 V44 E50 A51 L86 F89 A121 H123	S43-I47 WeakPolarHBondContact O-CG1 3.5Å; S43-I47 PolarHBondContact O-N 2.96Å; V44-I47 PolarHBondContact O-N 2.94Å; V44-I47 VanDerWaalsContact O-N 3.1Å; I47-E50 PolarHBondContact O-N 2.9Å; I47-A51 VanDerWaalsContact O-CB 3.23Å; I47-A51 WeakPolarHBondContact O-CB 3.36Å; I47-A51 PolarHBondContact O-N 3.11Å; I47-L86 HydrophobicContact CD1-CB 4.45Å; I47-L86 HydrophobicContact CD1-CD2 4.06Å; I47-L86 HydrophobicContact CD1-CG 3.98Å; I47-F89 HydrophobicContact CB-CD1 4.49Å; I47-F89 HydrophobicContact CB-CE1 3.85Å; I47-F89 HydrophobicContact CD1-CD1 4.15Å; I47-F89 HydrophobicContact CD1-CE1 4.35Å; I47-F89 HydrophobicContact CG2-CD1 4.33Å; I47-F89 HydrophobicContact CG2-CE1 3.72Å; I47-A121 HydrophobicContact CG2-CB 3.78Å; I47-H123 HydrophobicContact CD1-CB 4.25Å; I47-H123 HydrophobicContact CG1-CB 4.25Å
48	E	94.4	Very high	92.9	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-62.5	-43.3	177.1	-69.6	-159	-149.8	0	0	112.5	V44 F45 E50 A51 F52 C59 P60 L61 F89 V119	V44-E48 PolarHBondContact O-N 3.08Å; F45-E48 PolarHBondContact O-N 3Å; E48-E50 VanDerWaalsContact C-N 3.27Å; E48-E50 PolarHBondContact O-N 2.92Å; E48-A51 PolarHBondContact O-N 3.05Å; E48-A51 VanDerWaalsContact O-N 3.15Å; E48-F52 HydrophobicContact CB-CD2 4.32Å; E48-F52 HydrophobicContact CG-CD2 4.48Å; E48-F52 PolarHBondContact O-N 3.28Å; E48-C59 PolarHBondContact OE2-SG 3.29Å; E48-P60 WeakPolarHBondContact OE2-CD 3.34Å; E48-L61 PolarHBondContact OE2-N 3.19Å; E48-F89 HydrophobicContact CG-CE1 4.36Å; E48-F89 HydrophobicContact CG-CE2 4.48Å; E48-F89 HydrophobicContact CG-CZ 3.58Å; E48-V119 HydrophobicContact CG-CG2 4.43Å
49	R	92.6	Very high	92.4	Very high	128 Å²	128	55.8 Å²	55.8	48%	0.483	30%	0.303	S	S	.	.	I	π-helix	trans	-58.3	-40.5	178.3	-177.1	-177.7	65.1	-173.2	-5.3	112	F45 I53 S54	F45-R49 WeakPolarHBondContact O-CB 3.49Å; F45-R49 PolarHBondContact O-N 3.4Å; R49-I53 HydrophobicContact CB-CD1 4.11Å; R49-I53 HydrophobicContact CG-CB 4.28Å; R49-I53 HydrophobicContact CG-CD1 4.11Å; R49-I53 WeakPolarHBondContact O-CB 3.24Å; R49-S54 PolarHBondContact O-N 2.92Å; R49-S54 PolarHBondContact O-OG 3.34Å
50	E	92.9	Very high	91.9	Very high	49 Å²	49	49.7 Å²	49.7	23%	0.229	28%	0.279	C	S	.	.	I	π-helix	trans	-75	-38.3	175.9	-174	-81.3	152.9	0	0	112.3	E46 I47 E48 R124 R127	E46-E50 PolarHBondContact O-N 2.91Å; I47-E50 PolarHBondContact O-N 2.9Å; E48-E50 VanDerWaalsContact C-N 3.27Å; E48-E50 PolarHBondContact O-N 2.92Å; E50-R124 WeakPolarHBondContact OE1-CB 3.24Å; E50-R124 VanDerWaalsContact OE1-CD 3.24Å; E50-R124 WeakPolarHBondContact OE1-CD 3.49Å; E50-R124 WeakPolarHBondContact OE1-CG 3.22Å; E50-R127 IonicContact OE1-CZ 3.91Å; E50-R127 IonicContact OE1-NH1 3.2Å; E50-R127 PolarHBondContact OE1-NH1 2.71Å; E50-R127 IonicContact OE1-NH2 3.86Å; E50-R127 IonicContact OE2-CZ 3.33Å; E50-R127 IonicContact OE2-NH1 3.4Å; E50-R127 PolarHBondContact OE2-NH1 3.5Å; E50-R127 IonicContact OE2-NH2 2.64Å; E50-R127 PolarHBondContact OE2-NH2 2.8Å
51	A	90.1	Very high	91.6	Very high	19 Å²	19	49.1 Å²	49.1	16%	0.157	28%	0.276	C	S	.	.	I	π-helix	trans	-76.6	-36.2	-175	0	0	0	0	0	114.1	I47 E48 A121 R127	I47-A51 VanDerWaalsContact O-CB 3.23Å; I47-A51 WeakPolarHBondContact O-CB 3.36Å; I47-A51 PolarHBondContact O-N 3.11Å; E48-A51 PolarHBondContact O-N 3.05Å; E48-A51 VanDerWaalsContact O-N 3.15Å; A51-A121 HydrophobicContact CB-CB 4.45Å; A51-R127 VanDerWaalsContact CB-NH2 3.28Å
52	F	89.6	Confident	91.4	Very high	55 Å²	55	53.8 Å²	53.8	24%	0.241	30%	0.297	C	S	.	.	I	π-helix	trans	-120.9	-59.2	-170.6	-59	-82.8	0	0	0	112	E48 S54 V55 S56 E58 P60 V119 A121	E48-F52 HydrophobicContact CB-CD2 4.32Å; E48-F52 HydrophobicContact CG-CD2 4.48Å; E48-F52 PolarHBondContact O-N 3.28Å; F52-S54 VanDerWaalsContact C-N 3.25Å; F52-S54 PolarHBondContact O-N 3.26Å; F52-V55 WeakPolarHBondContact O-CA 3.42Å; F52-V55 PolarHBondContact O-N 3.2Å; F52-S56 PolarHBondContact O-N 2.96Å; F52-S56 PolarHBondContact O-OG 3Å; F52-E58 CarbonylContact C-O 3.5Å; F52-E58 VanDerWaalsContact CB-O 3.24Å; F52-E58 WeakPolarHBondContact CB-O 3.41Å; F52-P60 HydrophobicContact CB-CG 4.48Å; F52-P60 HydrophobicContact CD1-CG 3.83Å; F52-P60 HydrophobicContact CD2-CG 3.77Å; F52-P60 HydrophobicContact CE1-CG 3.91Å; F52-P60 HydrophobicContact CE2-CG 3.84Å; F52-P60 VanDerWaalsContact CG-CD 3.48Å; F52-P60 HydrophobicContact CG-CG 3.77Å; F52-P60 HydrophobicContact CZ-CG 3.92Å; F52-V119 HydrophobicContact CE2-CG2 3.8Å; F52-V119 HydrophobicContact CZ-CG2 4.11Å; F52-A121 HydrophobicContact CE2-CB 4.04Å
53	I	87.4	Confident	91.3	Very high	54 Å²	54	51.4 Å²	51.4	28%	0.277	29%	0.285	S	S	.	.	I	π-helix	trans	-57.9	-40	-175.5	-58.6	178.7	0	0	0	111.4	F45 R49 V55 G57 E58 C59	F45-I53 HydrophobicContact CE2-CD1 4.27Å; F45-I53 HydrophobicContact CZ-CD1 4.22Å; R49-I53 HydrophobicContact CB-CD1 4.11Å; R49-I53 HydrophobicContact CG-CB 4.28Å; R49-I53 HydrophobicContact CG-CD1 4.11Å; R49-I53 WeakPolarHBondContact O-CB 3.24Å; I53-V55 PolarHBondContact O-N 3.28Å; I53-G57 VanDerWaalsContact O-CA 3.22Å; I53-G57 WeakPolarHBondContact O-CA 3.39Å; I53-G57 PolarHBondContact O-N 3.33Å; I53-E58 PolarHBondContact N-O 3.02Å; I53-C59 HydrophobicContact CD1-CB 3.81Å; I53-C59 HydrophobicContact CG1-CB 3.68Å
54	S	84	Confident	91.2	Very high	91 Å²	91	54.8 Å²	54.8	64%	0.636	30%	0.3	S	S	*	.	H	α-helix	trans	-69.6	-12.8	179.2	-57.1	0	0	0	0	114	R49 F52	R49-S54 PolarHBondContact O-N 2.92Å; R49-S54 PolarHBondContact O-OG 3.34Å; F52-S54 VanDerWaalsContact C-N 3.25Å; F52-S54 PolarHBondContact O-N 3.26Å
55	V	84.3	Confident	91.2	Very high	121 Å²	121	57.3 Å²	57.3	73%	0.733	31%	0.312	S	S	*	.	H	α-helix	trans	-108.1	-51.4	-176.1	-178	0	0	0	0	111.2	F52 I53	F52-V55 WeakPolarHBondContact O-CA 3.42Å; F52-V55 PolarHBondContact O-N 3.2Å; I53-V55 PolarHBondContact O-N 3.28Å
56	S	83.2	Confident	91.2	Very high	43 Å²	43	55.1 Å²	55.1	30%	0.301	30%	0.302	S	S	.	.	H	α-helix	trans	-110.1	-12	-174.8	60.7	0	0	0	0	114.1	F52 E58	F52-S56 PolarHBondContact O-N 2.96Å; F52-S56 PolarHBondContact O-OG 3Å; S56-E58 PolarHBondContact O-N 2.95Å; S56-E58 PolarHBondContact OG-N 3.2Å; S56-E58 PolarHBondContact OG-O 3.33Å
57	G	87.7	Confident	91.3	Very high	51 Å²	51	54.9 Å²	54.9	53%	0.526	30%	0.297	S	S	.	.	S	Bend	trans	78.6	-8.2	-169	0	0	0	0	0	114.1	I53	I53-G57 VanDerWaalsContact O-CA 3.22Å; I53-G57 WeakPolarHBondContact O-CA 3.39Å; I53-G57 PolarHBondContact O-N 3.33Å
58	E	88.1	Confident	91.4	Very high	69 Å²	69	58.7 Å²	58.7	32%	0.322	31%	0.314	S	S	.	.			trans	-108.1	148.2	-175.9	-61.6	-61.4	157.4	0	0	111	F52 I53 S56 V179 L182	F52-E58 CarbonylContact C-O 3.5Å; F52-E58 VanDerWaalsContact CB-O 3.24Å; F52-E58 WeakPolarHBondContact CB-O 3.41Å; I53-E58 PolarHBondContact N-O 3.02Å; S56-E58 PolarHBondContact O-N 2.95Å; S56-E58 PolarHBondContact OG-N 3.2Å; S56-E58 PolarHBondContact OG-O 3.33Å; E58-V179 HydrophobicContact CB-CG1 4.06Å; E58-V179 HydrophobicContact CG-CG1 4.16Å; E58-L182 HydrophobicContact CB-CD1 4.34Å
59	C	86.9	Confident	91.6	Very high	8 Å²	8	58.8 Å²	58.8	5%	0.054	31%	0.314	C	S	.	.			trans	-118.3	130.5	177.4	-153.9	0	0	0	0	109.6	E48 I53 L61	E48-C59 PolarHBondContact OE2-SG 3.29Å; I53-C59 HydrophobicContact CD1-CB 3.81Å; I53-C59 HydrophobicContact CG1-CB 3.68Å; C59-L61 VanDerWaalsContact C-N 3.3Å; C59-L61 PolarHBondContact O-N 3.46Å; C59-L61 PolarHBondContact SG-O 3.48Å
60	P	88	Confident	91.9	Very high	46 Å²	46	52.8 Å²	52.8	30%	0.299	29%	0.292	S	S	.	.	S	Bend	trans	-56.9	-43.7	172.2	-26	34.3	0	0	0	112.6	E48 F52 V119	E48-P60 WeakPolarHBondContact OE2-CD 3.34Å; F52-P60 HydrophobicContact CB-CG 4.48Å; F52-P60 HydrophobicContact CD1-CG 3.83Å; F52-P60 HydrophobicContact CD2-CG 3.77Å; F52-P60 HydrophobicContact CE1-CG 3.91Å; F52-P60 HydrophobicContact CE2-CG 3.84Å; F52-P60 VanDerWaalsContact CG-CD 3.48Å; F52-P60 HydrophobicContact CG-CG 3.77Å; F52-P60 HydrophobicContact CZ-CG 3.92Å; P60-V119 HydrophobicContact CB-CB 4.03Å; P60-V119 HydrophobicContact CB-CG2 4.24Å; P60-V119 HydrophobicContact CG-CG2 4.25Å
61	L	92.8	Very high	92.1	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	31%	0.308	C	S	.	.	S	Bend	trans	-136.7	123.5	175.5	-61.7	175.6	0	0	0	111	E48 C59 E65 V66 F69 I91 H118 V119	E48-L61 PolarHBondContact OE2-N 3.19Å; C59-L61 VanDerWaalsContact C-N 3.3Å; C59-L61 PolarHBondContact O-N 3.46Å; C59-L61 PolarHBondContact SG-O 3.48Å; L61-E65 HydrophobicContact CB-CB 4.29Å; L61-E65 HydrophobicContact CD2-CB 3.99Å; L61-V66 HydrophobicContact CB-CG2 3.66Å; L61-V66 HydrophobicContact CD1-CG2 4.34Å; L61-F69 HydrophobicContact CD1-CD2 4.14Å; L61-F69 HydrophobicContact CD2-CD2 4Å; L61-F69 HydrophobicContact CD2-CE2 3.65Å; L61-I91 HydrophobicContact CD1-CB 4.04Å; L61-I91 HydrophobicContact CD1-CD1 4.1Å; L61-I91 HydrophobicContact CD1-CG2 3.74Å; L61-H118 HydrophobicContact CD1-CB 3.9Å; L61-H118 HydrophobicContact CD2-CB 4.21Å; L61-H118 HydrophobicContact CG-CB 4.19Å; L61-V119 HydrophobicContact CD1-CG1 3.71Å; L61-V119 HydrophobicContact CG-CG1 4.33Å
62	H	93.8	Very high	92.5	Very high	98 Å²	98	58.2 Å²	58.2	45%	0.454	32%	0.323	S	S	.	.			trans	-72.5	164.1	166.9	-62.9	82.5	0	0	0	110.9	D64 E65 V66	H62-D64 PolarHBondContact O-N 3.21Å; H62-D64 VanDerWaalsContact O-N 3.11Å; H62-E65 WeakPolarHBondContact CA-OE2 3.44Å; H62-E65 VanDerWaalsContact CB-OE2 3.28Å; H62-E65 WeakPolarHBondContact CB-OE2 3.33Å; H62-E65 IonicContact CG-OE2 3.53Å; H62-E65 PolarHBondContact N-OE2 3.49Å; H62-E65 IonicContact ND1-OE2 2.76Å; H62-E65 PolarHBondContact ND1-OE2 2.81Å; H62-E65 WeakPolarHBondContact O-CA 3.16Å; H62-E65 WeakPolarHBondContact O-CB 3.48Å; H62-E65 PolarHBondContact O-N 3.29Å; H62-V66 WeakPolarHBondContact O-CG2 3.47Å; H62-V66 PolarHBondContact O-N 3.41Å
63	L	95.9	Very high	92.9	Very high	44 Å²	44	55.7 Å²	55.7	23%	0.23	31%	0.312	C	S	.	.	H	α-helix	trans	-52.8	-38.9	-175.6	-178.3	60.8	0	0	0	113.8	A41 I42 F45 R67	A41-L63 HydrophobicContact CB-CD1 3.99Å; I42-L63 HydrophobicContact CG1-CD1 4.46Å; F45-L63 HydrophobicContact CB-CD1 4.04Å; F45-L63 HydrophobicContact CD1-CB 4.41Å; F45-L63 HydrophobicContact CD2-CB 4.28Å; F45-L63 HydrophobicContact CG-CB 4.14Å; F45-L63 HydrophobicContact CG-CD1 4.49Å; L63-R67 WeakPolarHBondContact O-CG 3.29Å; L63-R67 PolarHBondContact O-N 3.28Å
64	D	96.6	Very high	93.4	Very high	117 Å²	117	55.1 Å²	55.1	63%	0.626	31%	0.312	S	S	*	.	H	α-helix	trans	-71.5	-34.9	179.2	-68.1	-25.2	0	0	0	112.1	H62 R67 H68	H62-D64 PolarHBondContact O-N 3.21Å; H62-D64 VanDerWaalsContact O-N 3.11Å; D64-R67 PolarHBondContact O-N 3.43Å; D64-R67 IonicContact OD1-NH1 3.69Å; D64-H68 VanDerWaalsContact O-CB 3.26Å; D64-H68 WeakPolarHBondContact O-CB 3.33Å; D64-H68 PolarHBondContact O-N 2.91Å
65	E	96.5	Very high	94.1	Very high	54 Å²	54	54 Å²	54	25%	0.252	30%	0.297	S	S	.	.	H	α-helix	trans	-71.3	-39.8	176	-62.5	163.9	134.8	0	0	110.9	L61 H62 H68 F69	L61-E65 HydrophobicContact CB-CB 4.29Å; L61-E65 HydrophobicContact CD2-CB 3.99Å; H62-E65 WeakPolarHBondContact CA-OE2 3.44Å; H62-E65 VanDerWaalsContact CB-OE2 3.28Å; H62-E65 WeakPolarHBondContact CB-OE2 3.33Å; H62-E65 IonicContact CG-OE2 3.53Å; H62-E65 PolarHBondContact N-OE2 3.49Å; H62-E65 IonicContact ND1-OE2 2.76Å; H62-E65 PolarHBondContact ND1-OE2 2.81Å; H62-E65 WeakPolarHBondContact O-CA 3.16Å; H62-E65 WeakPolarHBondContact O-CB 3.48Å; H62-E65 PolarHBondContact O-N 3.29Å; E65-H68 WeakPolarHBondContact O-CB 3.43Å; E65-H68 PolarHBondContact O-N 2.92Å; E65-F69 VanDerWaalsContact O-CD2 3.28Å; E65-F69 WeakPolarHBondContact O-CD2 3.32Å; E65-F69 PolarHBondContact O-N 3.4Å
66	V	97.9	Very high	94.8	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-56.8	-53.8	170	173	0	0	0	0	110	A41 V44 L61 H62 H68 F69 L70 I91	A41-V66 HydrophobicContact CB-CG1 3.68Å; V44-V66 HydrophobicContact CB-CG1 3.98Å; V44-V66 HydrophobicContact CG1-CB 4.41Å; V44-V66 HydrophobicContact CG1-CG1 3.67Å; V44-V66 HydrophobicContact CG1-CG2 3.76Å; V44-V66 HydrophobicContact CG2-CG1 4.48Å; L61-V66 HydrophobicContact CB-CG2 3.66Å; L61-V66 HydrophobicContact CD1-CG2 4.34Å; H62-V66 WeakPolarHBondContact O-CG2 3.47Å; H62-V66 PolarHBondContact O-N 3.41Å; V66-H68 PolarHBondContact O-N 3.46Å; V66-F69 PolarHBondContact O-N 3.2Å; V66-L70 HydrophobicContact CG1-CD1 3.8Å; V66-L70 HydrophobicContact CG1-CG 4.29Å; V66-L70 WeakPolarHBondContact O-CB 3.41Å; V66-L70 VanDerWaalsContact O-CG 3.25Å; V66-L70 WeakPolarHBondContact O-CG 3.39Å; V66-L70 PolarHBondContact O-N 3.45Å; V66-I91 HydrophobicContact CB-CD1 4.48Å; V66-I91 HydrophobicContact CG1-CD1 3.88Å; V66-I91 HydrophobicContact CG2-CD1 4.3Å
67	R	98.2	Very high	95.5	Very high	100 Å²	100	46.3 Å²	46.3	38%	0.377	25%	0.248	S	C	.	.	H	α-helix	trans	-58.6	-39	178.2	-76.1	174.1	174.3	151.7	-2.3	112.1	A41 L63 D64 T71	A41-R67 HydrophobicContact CB-CG 3.63Å; L63-R67 WeakPolarHBondContact O-CG 3.29Å; L63-R67 PolarHBondContact O-N 3.28Å; D64-R67 PolarHBondContact O-N 3.43Å; D64-R67 IonicContact OD1-NH1 3.69Å; R67-T71 VanDerWaalsContact O-CB 3.31Å; R67-T71 WeakPolarHBondContact O-CB 3.4Å; R67-T71 PolarHBondContact O-N 3.19Å; R67-T71 PolarHBondContact O-OG1 3.47Å
68	H	98.1	Very high	96	Very high	85 Å²	85	44.7 Å²	44.7	39%	0.394	23%	0.227	S	C	.	.	H	α-helix	trans	-58.8	-54.7	178.7	-178.6	72	0	0	0	111.2	D64 E65 V66 L70 T71 L72	D64-H68 VanDerWaalsContact O-CB 3.26Å; D64-H68 WeakPolarHBondContact O-CB 3.33Å; D64-H68 PolarHBondContact O-N 2.91Å; E65-H68 WeakPolarHBondContact O-CB 3.43Å; E65-H68 PolarHBondContact O-N 2.92Å; V66-H68 PolarHBondContact O-N 3.46Å; H68-L70 PolarHBondContact O-N 3.24Å; H68-T71 PolarHBondContact O-N 3.1Å; H68-L72 WeakPolarHBondContact CE1-CD1 3.32Å; H68-L72 WeakPolarHBondContact NE2-CD1 3.29Å; H68-L72 PolarHBondContact O-N 2.64Å
69	F	98.6	Very high	96.6	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.009	21%	0.212	C	C	.	.	H	α-helix	trans	-67.9	-37.9	-179.7	-69.5	-54.8	0	0	0	113.3	L61 E65 V66 T71 L72 C73 I91 H108 H118	L61-F69 HydrophobicContact CD1-CD2 4.14Å; L61-F69 HydrophobicContact CD2-CD2 4Å; L61-F69 HydrophobicContact CD2-CE2 3.65Å; E65-F69 VanDerWaalsContact O-CD2 3.28Å; E65-F69 WeakPolarHBondContact O-CD2 3.32Å; E65-F69 PolarHBondContact O-N 3.4Å; V66-F69 PolarHBondContact O-N 3.2Å; F69-T71 PolarHBondContact O-N 2.96Å; F69-L72 PolarHBondContact O-N 3.48Å; F69-C73 CarbonylContact O-C 3.58Å; F69-C73 PolarHBondContact O-N 3.09Å; F69-I91 HydrophobicContact CB-CG2 3.88Å; F69-I91 HydrophobicContact CD2-CG2 4.27Å; F69-I91 HydrophobicContact CG-CG2 4.35Å; F69-H108 HydrophobicContact CE1-CB 4.36Å; F69-H118 AromaticContact CE1-NE2 3.77Å; F69-H118 AromaticContact CE2-CE1 3.52Å; F69-H118 AromaticContact CE2-ND1 3.91Å; F69-H118 AromaticContact CE2-NE2 3.68Å; F69-H118 AromaticContact CZ-CE1 3.28Å; F69-H118 WeakPolarHBondContact CZ-CE1 3.4Å; F69-H118 AromaticContact CZ-NE2 3.42Å; F69-H118 WeakPolarHBondContact CZ-NE2 3.31Å
70	L	98.6	Very high	97.1	Very high	2 Å²	2	42 Å²	42	1%	0.01	21%	0.213	C	C	.	.	H	α-helix	trans	-69.4	-16.3	176.1	-61.8	-172.6	0	0	0	113.1	L36 S37 P38 A41 V66 H68 P74 I91	L36-L70 HydrophobicContact CB-CD1 3.95Å; L36-L70 HydrophobicContact CB-CD2 3.66Å; L36-L70 HydrophobicContact CB-CG 4.44Å; L36-L70 HydrophobicContact CD1-CD1 4.49Å; L36-L70 HydrophobicContact CD1-CD2 4.16Å; S37-L70 VanDerWaalsContact O-CD1 3.26Å; S37-L70 WeakPolarHBondContact O-CD1 3.41Å; P38-L70 HydrophobicContact CG-CB 4.36Å; A41-L70 HydrophobicContact CB-CD1 4.47Å; V66-L70 HydrophobicContact CG1-CD1 3.8Å; V66-L70 HydrophobicContact CG1-CG 4.29Å; V66-L70 WeakPolarHBondContact O-CB 3.41Å; V66-L70 VanDerWaalsContact O-CG 3.25Å; V66-L70 WeakPolarHBondContact O-CG 3.39Å; V66-L70 PolarHBondContact O-N 3.45Å; H68-L70 PolarHBondContact O-N 3.24Å; L70-P74 WeakPolarHBondContact O-CB 3.39Å; L70-I91 HydrophobicContact CD2-CD1 4.23Å; L70-I91 HydrophobicContact CD2-CG1 4.21Å; L70-I91 HydrophobicContact CG-CD1 4.4Å
71	T	98.3	Very high	97.6	Very high	93 Å²	93	40 Å²	40	57%	0.571	20%	0.2	S	C	*	.	H	α-helix	trans	-88	-43	171.7	-57.7	0	0	0	0	111.5	R67 H68 F69	R67-T71 VanDerWaalsContact O-CB 3.31Å; R67-T71 WeakPolarHBondContact O-CB 3.4Å; R67-T71 PolarHBondContact O-N 3.19Å; R67-T71 PolarHBondContact O-OG1 3.47Å; H68-T71 PolarHBondContact O-N 3.1Å; F69-T71 PolarHBondContact O-N 2.96Å
72	L	98	Very high	97.8	Very high	90 Å²	90	42.4 Å²	42.4	47%	0.471	21%	0.211	S	C	.	.	H	α-helix	trans	-78.3	-43.5	-175	-71.6	-172.3	0	0	0	113.8	H68 F69 H108	H68-L72 WeakPolarHBondContact CE1-CD1 3.32Å; H68-L72 WeakPolarHBondContact NE2-CD1 3.29Å; H68-L72 PolarHBondContact O-N 2.64Å; F69-L72 PolarHBondContact O-N 3.48Å; L72-H108 HydrophobicContact CD1-CB 4.14Å
73	C	98.2	Very high	97.9	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.007	22%	0.221	C	C	.	.			trans	-145.3	58.1	-173.3	59.1	0	0	0	0	112.3	F69 E75 L76 H108	F69-C73 CarbonylContact O-C 3.58Å; F69-C73 PolarHBondContact O-N 3.09Å; C73-E75 WeakPolarHBondContact CA-OE2 3.38Å; C73-E75 PolarHBondContact O-N 2.97Å; C73-E75 VanDerWaalsContact O-N 3.14Å; C73-L76 HydrophobicContact CB-CD1 4.05Å; C73-L76 HydrophobicContact CB-CG 4.36Å; C73-L76 PolarHBondContact O-N 3.34Å; C73-H108 PolarHBondContact SG-ND1 2.81Å
74	P	98.3	Very high	97.8	Very high	42 Å²	42	44.3 Å²	44.3	27%	0.273	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-57.3	-27.6	178.3	24	-33.5	0	0	0	113	S35 L36 L70 L76 S77	S35-P74 WeakPolarHBondContact CB-O 3.37Å; L36-P74 WeakPolarHBondContact O-CB 3.4Å; L70-P74 WeakPolarHBondContact O-CB 3.39Å; P74-L76 PolarHBondContact O-N 3.36Å; P74-S77 WeakPolarHBondContact O-CB 3.5Å; P74-S77 PolarHBondContact O-N 3.44Å; P74-S77 PolarHBondContact O-OG 2.91Å
75	E	98	Very high	97.8	Very high	69 Å²	69	47.9 Å²	47.9	32%	0.322	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-63.4	-17.1	176	76.5	-72.8	175	0	0	113.4	C73 Y142	C73-E75 WeakPolarHBondContact CA-OE2 3.38Å; C73-E75 PolarHBondContact O-N 2.97Å; C73-E75 VanDerWaalsContact O-N 3.14Å; E75-Y142 WeakPolarHBondContact O-CE1 3.42Å; E75-Y142 VanDerWaalsContact O-CZ 3.23Å; E75-Y142 PolarHBondContact O-OH 3.14Å
76	L	98.7	Very high	97.9	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-96.5	11.2	174.4	-61.4	176.5	0	0	0	112.7	C73 P74 G92 L94 V115 Y139 L146	C73-L76 HydrophobicContact CB-CD1 4.05Å; C73-L76 HydrophobicContact CB-CG 4.36Å; C73-L76 PolarHBondContact O-N 3.34Å; P74-L76 PolarHBondContact O-N 3.36Å; L76-G92 WeakPolarHBondContact CB-O 3.36Å; L76-G92 PolarHBondContact O-N 2.95Å; L76-G92 VanDerWaalsContact O-N 3.14Å; L76-L94 HydrophobicContact CD1-CD2 4.02Å; L76-L94 HydrophobicContact CD1-CG 3.69Å; L76-V115 HydrophobicContact CD2-CG2 4.13Å; L76-Y139 WeakPolarHBondContact O-CE2 3.25Å; L76-Y139 PolarHBondContact O-OH 3.28Å; L76-L146 HydrophobicContact CD2-CD1 3.72Å
77	S	98.8	Very high	97.9	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.014	23%	0.226	C	C	.	.			trans	-108	157.5	171.1	75.5	0	0	0	0	111.7	S35 L36 P74 I90	S35-S77 PolarHBondContact OG-O 3.37Å; L36-S77 WeakPolarHBondContact CB-OG 3.49Å; L36-S77 PolarHBondContact N-OG 3.33Å; P74-S77 WeakPolarHBondContact O-CB 3.5Å; P74-S77 PolarHBondContact O-N 3.44Å; P74-S77 PolarHBondContact O-OG 2.91Å; S77-I90 CarbonylContact C-O 3.56Å; S77-I90 VanDerWaalsContact CA-O 3.28Å; S77-I90 WeakPolarHBondContact CA-O 3.44Å; S77-I90 WeakPolarHBondContact CB-O 3.44Å
78	L	98.9	Very high	98	Very high	16 Å²	16	41.4 Å²	41.4	8%	0.084	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	121.4	173.4	-176.1	66.2	0	0	0	110.4	F33 F89 I90 L135 R138 Y139	F33-L78 HydrophobicContact CB-CD1 4.41Å; L78-F89 CarbonylContact O-C 3.46Å; L78-F89 VanDerWaalsContact O-CA 3.26Å; L78-F89 WeakPolarHBondContact O-CA 3.37Å; L78-I90 PolarHBondContact N-O 3.24Å; L78-I90 PolarHBondContact O-N 3.48Å; L78-L135 HydrophobicContact CD2-CD1 3.67Å; L78-L135 HydrophobicContact CD2-CG 4.47Å; L78-L135 HydrophobicContact CG-CD1 3.77Å; L78-R138 HydrophobicContact CD2-CB 4.23Å; L78-R138 HydrophobicContact CD2-CG 4.01Å; L78-Y139 HydrophobicContact CB-CD2 3.8Å; L78-Y139 HydrophobicContact CB-CE2 4.4Å; L78-Y139 HydrophobicContact CD2-CD2 4.25Å
79	G	98.8	Very high	98	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	146.9	171.5	0	0	0	0	0	112.3	F33 R34	F33-G79 WeakPolarHBondContact CA-O 3.35Å; R34-G79 PolarHBondContact N-O 2.88Å; R34-G79 VanDerWaalsContact N-O 3.13Å; R34-G79 PolarHBondContact O-N 3.45Å
80	W	98.7	Very high	98	Very high	20 Å²	20	37.2 Å²	37.2	8%	0.076	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	120.1	163.5	-175.2	-8	0	0	0	108.4	S31 E32 F33 V87 A88 K131 I134 L135	S31-W80 PolarHBondContact OG-NE1 3.27Å; E32-W80 WeakPolarHBondContact O-CA 3.24Å; F33-W80 HydrophobicContact CD1-CB 3.96Å; F33-W80 HydrophobicContact CD1-CD2 4.4Å; F33-W80 HydrophobicContact CD1-CG 4.04Å; F33-W80 HydrophobicContact CE1-CB 3.77Å; F33-W80 AromaticContact CE1-CD2 3.42Å; F33-W80 HydrophobicContact CE1-CD2 3.42Å; F33-W80 VanDerWaalsContact CE1-CD2 3.42Å; F33-W80 AromaticContact CE1-CE3 3.56Å; F33-W80 HydrophobicContact CE1-CE3 3.56Å; F33-W80 AromaticContact CE1-CG 3.51Å; F33-W80 HydrophobicContact CE1-CG 3.51Å; F33-W80 HydrophobicContact CE1-CZ3 4.21Å; F33-W80 HydrophobicContact CE2-CD2 4.47Å; F33-W80 AromaticContact CZ-CD2 3.46Å; F33-W80 HydrophobicContact CZ-CD2 3.46Å; F33-W80 VanDerWaalsContact CZ-CD2 3.46Å; F33-W80 AromaticContact CZ-CE2 3.55Å; F33-W80 AromaticContact CZ-CE3 3.73Å; F33-W80 HydrophobicContact CZ-CE3 3.73Å; F33-W80 AromaticContact CZ-CG 3.83Å; F33-W80 HydrophobicContact CZ-CG 3.83Å; F33-W80 HydrophobicContact CZ-CH2 4.15Å; F33-W80 AromaticContact CZ-CZ2 3.93Å; F33-W80 HydrophobicContact CZ-CZ2 3.93Å; F33-W80 HydrophobicContact CZ-CZ3 4.03Å; F33-W80 AromaticContact CZ-NE1 3.93Å; W80-V87 HydrophobicContact CB-CG2 4.2Å; W80-V87 HydrophobicContact CD2-CG2 4.37Å; W80-V87 HydrophobicContact CG-CG2 3.93Å; W80-V87 VanDerWaalsContact O-CG2 3.29Å; W80-V87 WeakPolarHBondContact O-CG2 3.43Å; W80-V87 PolarHBondContact O-N 3.45Å; W80-A88 HydrophobicContact CB-CB 4.32Å; W80-A88 PolarHBondContact N-O 2.95Å; W80-A88 PolarHBondContact O-N 2.77Å; W80-K131 HydrophobicContact CD2-CD 4.4Å; W80-K131 HydrophobicContact CE3-CB 3.99Å; W80-K131 HydrophobicContact CE3-CD 4.1Å; W80-K131 HydrophobicContact CE3-CG 4.11Å; W80-K131 HydrophobicContact CH2-CB 4.36Å; W80-K131 HydrophobicContact CH2-CD 4.15Å; W80-K131 HydrophobicContact CH2-CG 3.79Å; W80-K131 HydrophobicContact CZ2-CD 4.41Å; W80-K131 VanDerWaalsContact CZ2-NZ 3.27Å; W80-K131 HydrophobicContact CZ3-CB 3.65Å; W80-K131 HydrophobicContact CZ3-CD 4Å; W80-K131 HydrophobicContact CZ3-CG 3.58Å; W80-I134 HydrophobicContact CE3-CG2 4.47Å; W80-I134 HydrophobicContact CH2-CB 4.44Å; W80-I134 HydrophobicContact CH2-CD1 3.96Å; W80-I134 HydrophobicContact CH2-CG2 4.08Å; W80-I134 HydrophobicContact CZ3-CB 3.86Å; W80-I134 HydrophobicContact CZ3-CD1 4.15Å; W80-I134 HydrophobicContact CZ3-CG2 3.67Å; W80-L135 HydrophobicContact CB-CD1 4.21Å
81	F	98.4	Very high	98	Very high	6 Å²	6	37.2 Å²	37.2	3%	0.026	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	137.6	176.2	-59.8	-100.2	0	0	0	111.1	S31 E32 R34 L36 R85 L86	S31-F81 CarbonylContact C-O 3.59Å; S31-F81 VanDerWaalsContact CA-O 3.31Å; S31-F81 WeakPolarHBondContact CA-O 3.31Å; E32-F81 HydrophobicContact CB-CB 4.31Å; E32-F81 PolarHBondContact N-O 3.39Å; E32-F81 PolarHBondContact O-N 2.81Å; R34-F81 HydrophobicContact CG-CD2 3.92Å; R34-F81 HydrophobicContact CG-CE2 3.59Å; R34-F81 VanDerWaalsContact NH2-CE1 3.27Å; L36-F81 HydrophobicContact CD2-CE2 4.08Å; L36-F81 HydrophobicContact CD2-CZ 3.84Å; F81-R85 CarbonylContact C-O 3.5Å; F81-R85 WeakPolarHBondContact CA-O 3.26Å; F81-L86 HydrophobicContact CD1-CB 4.12Å; F81-L86 HydrophobicContact CD1-CD1 4.36Å; F81-L86 HydrophobicContact CD2-CD1 4.38Å; F81-L86 HydrophobicContact CE1-CB 3.8Å; F81-L86 HydrophobicContact CE1-CD1 3.89Å; F81-L86 HydrophobicContact CE1-CG 4.43Å; F81-L86 HydrophobicContact CE2-CD1 3.9Å; F81-L86 HydrophobicContact CZ-CB 4.38Å; F81-L86 HydrophobicContact CZ-CD1 3.62Å
82	E	97	Very high	98	Very high	49 Å²	49	32.8 Å²	32.8	23%	0.229	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	124.3	167.5	-67.7	-169.7	165.3	0	0	108.9	A30 G84 R85 V87 F126 K131	A30-E82 WeakPolarHBondContact O-CA 3.07Å; E82-G84 PolarHBondContact O-N 3.13Å; E82-G84 VanDerWaalsContact O-N 3.13Å; E82-R85 PolarHBondContact N-O 2.82Å; E82-R85 WeakPolarHBondContact O-CB 3.31Å; E82-R85 PolarHBondContact O-N 2.81Å; E82-V87 HydrophobicContact CB-CG1 4.06Å; E82-V87 HydrophobicContact CG-CG1 4.27Å; E82-V87 HydrophobicContact CG-CG2 4.01Å; E82-F126 WeakPolarHBondContact OE2-CE1 3.24Å; E82-K131 WeakPolarHBondContact OE1-CE 3.02Å; E82-K131 IonicContact OE1-NZ 2.56Å; E82-K131 PolarHBondContact OE1-NZ 3.06Å; E82-K131 IonicContact OE2-NZ 3.9Å
83	E	95.1	Very high	98.1	Very high	145 Å²	145	28.6 Å²	28.6	68%	0.678	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.1	38.6	-175.8	-57.7	-179.1	177.2	0	0	112.9	P29 A30 R85	P29-E83 WeakPolarHBondContact O-CA 3.47Å; P29-E83 PolarHBondContact O-N 3.14Å; A30-E83 PolarHBondContact O-N 3.45Å; A30-E83 VanDerWaalsContact O-N 3.14Å; E83-R85 VanDerWaalsContact C-N 3.31Å; E83-R85 PolarHBondContact O-N 2.86Å
84	G	94.7	Very high	98.1	Very high	37 Å²	37	28.8 Å²	28.8	38%	0.381	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.4	2.2	-178.5	0	0	0	0	0	115.8	E82	E82-G84 PolarHBondContact O-N 3.13Å; E82-G84 VanDerWaalsContact O-N 3.13Å
85	R	96.8	Very high	98.1	Very high	193 Å²	193	26.9 Å²	26.9	73%	0.728	13%	0.128	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-101.7	133.4	177.8	-61.4	-178.2	-177.8	-172.5	0.6	111.3	F81 E82 E83 V87	F81-R85 CarbonylContact C-O 3.5Å; F81-R85 WeakPolarHBondContact CA-O 3.26Å; E82-R85 PolarHBondContact N-O 2.82Å; E82-R85 WeakPolarHBondContact O-CB 3.31Å; E82-R85 PolarHBondContact O-N 2.81Å; E83-R85 VanDerWaalsContact C-N 3.31Å; E83-R85 PolarHBondContact O-N 2.86Å; R85-V87 PolarHBondContact O-N 3.29Å
86	L	98.4	Very high	98.1	Very high	14 Å²	14	27.7 Å²	27.7	7%	0.073	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	122	174.4	-174.4	65.9	0	0	0	109.9	L36 V44 I47 F81 A88 F89	L36-L86 HydrophobicContact CD2-CD1 3.97Å; V44-L86 HydrophobicContact CG2-CD2 3.7Å; I47-L86 HydrophobicContact CD1-CB 4.45Å; I47-L86 HydrophobicContact CD1-CD2 4.06Å; I47-L86 HydrophobicContact CD1-CG 3.98Å; F81-L86 HydrophobicContact CD1-CB 4.12Å; F81-L86 HydrophobicContact CD1-CD1 4.36Å; F81-L86 HydrophobicContact CD2-CD1 4.38Å; F81-L86 HydrophobicContact CE1-CB 3.8Å; F81-L86 HydrophobicContact CE1-CD1 3.89Å; F81-L86 HydrophobicContact CE1-CG 4.43Å; F81-L86 HydrophobicContact CE2-CD1 3.9Å; F81-L86 HydrophobicContact CZ-CB 4.38Å; F81-L86 HydrophobicContact CZ-CD1 3.62Å; L86-A88 WeakPolarHBondContact CD1-O 3.32Å; L86-F89 HydrophobicContact CD1-CB 4.18Å; L86-F89 HydrophobicContact CD2-CB 4.28Å; L86-F89 HydrophobicContact CD2-CD1 4.12Å; L86-F89 HydrophobicContact CD2-CG 4.47Å
87	V	98.3	Very high	98	Very high	3 Å²	3	31.8 Å²	31.8	2%	0.018	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	-21.5	179.6	-60.1	0	0	0	0	113.3	W80 E82 R85 H123 F126 K131	W80-V87 HydrophobicContact CB-CG2 4.2Å; W80-V87 HydrophobicContact CD2-CG2 4.37Å; W80-V87 HydrophobicContact CG-CG2 3.93Å; W80-V87 VanDerWaalsContact O-CG2 3.29Å; W80-V87 WeakPolarHBondContact O-CG2 3.43Å; W80-V87 PolarHBondContact O-N 3.45Å; E82-V87 HydrophobicContact CB-CG1 4.06Å; E82-V87 HydrophobicContact CG-CG1 4.27Å; E82-V87 HydrophobicContact CG-CG2 4.01Å; R85-V87 PolarHBondContact O-N 3.29Å; V87-H123 VanDerWaalsContact O-CB 3.31Å; V87-H123 WeakPolarHBondContact O-CB 3.4Å; V87-H123 PolarHBondContact O-N 2.92Å; V87-F126 HydrophobicContact CB-CD2 3.84Å; V87-F126 HydrophobicContact CB-CE2 4.13Å; V87-F126 HydrophobicContact CB-CG 4.08Å; V87-F126 HydrophobicContact CG1-CD1 4.45Å; V87-F126 HydrophobicContact CG1-CD2 3.73Å; V87-F126 HydrophobicContact CG1-CE1 4.21Å; V87-F126 HydrophobicContact CG1-CE2 3.46Å; V87-F126 VanDerWaalsContact CG1-CE2 3.46Å; V87-F126 HydrophobicContact CG1-CG 4.22Å; V87-F126 HydrophobicContact CG1-CZ 3.72Å; V87-K131 HydrophobicContact CG2-CD 4.18Å
88	A	98.6	Very high	97.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	150.7	174.8	0	0	0	0	0	110	W80 L86 A121 V122 L135	W80-A88 HydrophobicContact CB-CB 4.32Å; W80-A88 PolarHBondContact N-O 2.95Å; W80-A88 PolarHBondContact O-N 2.77Å; L86-A88 WeakPolarHBondContact CD1-O 3.32Å; A88-A121 CarbonylContact C-O 3.54Å; A88-A121 VanDerWaalsContact CA-O 3.24Å; A88-A121 WeakPolarHBondContact CA-O 3.36Å; A88-V122 HydrophobicContact CB-CB 4.32Å; A88-V122 HydrophobicContact CB-CG1 4.28Å; A88-V122 HydrophobicContact CB-CG2 3.9Å; A88-L135 HydrophobicContact CB-CD2 3.75Å
89	F	98.8	Very high	97.7	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	161	178.8	72	-90.3	0	0	0	113.5	L36 V44 I47 E48 L78 L86 I91 V119 L120 A121	L36-F89 HydrophobicContact CD1-CB 4.01Å; L36-F89 HydrophobicContact CD1-CD2 4.48Å; V44-F89 HydrophobicContact CB-CE1 4.46Å; V44-F89 HydrophobicContact CB-CZ 4.46Å; V44-F89 HydrophobicContact CG1-CD2 4.15Å; V44-F89 HydrophobicContact CG1-CE1 4.06Å; V44-F89 HydrophobicContact CG1-CE2 3.62Å; V44-F89 HydrophobicContact CG1-CZ 3.61Å; V44-F89 HydrophobicContact CG2-CD1 4.35Å; V44-F89 HydrophobicContact CG2-CD2 4.33Å; V44-F89 HydrophobicContact CG2-CG 4.22Å; I47-F89 HydrophobicContact CB-CD1 4.49Å; I47-F89 HydrophobicContact CB-CE1 3.85Å; I47-F89 HydrophobicContact CD1-CD1 4.15Å; I47-F89 HydrophobicContact CD1-CE1 4.35Å; I47-F89 HydrophobicContact CG2-CD1 4.33Å; I47-F89 HydrophobicContact CG2-CE1 3.72Å; E48-F89 HydrophobicContact CG-CE1 4.36Å; E48-F89 HydrophobicContact CG-CE2 4.48Å; E48-F89 HydrophobicContact CG-CZ 3.58Å; L78-F89 CarbonylContact O-C 3.46Å; L78-F89 VanDerWaalsContact O-CA 3.26Å; L78-F89 WeakPolarHBondContact O-CA 3.37Å; L86-F89 HydrophobicContact CD1-CB 4.18Å; L86-F89 HydrophobicContact CD2-CB 4.28Å; L86-F89 HydrophobicContact CD2-CD1 4.12Å; L86-F89 HydrophobicContact CD2-CG 4.47Å; F89-I91 HydrophobicContact CD2-CD1 4.33Å; F89-I91 HydrophobicContact CD2-CG1 4.05Å; F89-I91 HydrophobicContact CE2-CD1 4.25Å; F89-I91 HydrophobicContact CE2-CG1 4.3Å; F89-V119 HydrophobicContact CD2-CG1 4.47Å; F89-V119 HydrophobicContact CE2-CB 4.42Å; F89-V119 HydrophobicContact CE2-CG1 3.61Å; F89-V119 HydrophobicContact CE2-CG2 3.97Å; F89-V119 HydrophobicContact CZ-CG1 4.43Å; F89-V119 HydrophobicContact CZ-CG2 4.09Å; F89-L120 WeakPolarHBondContact O-CA 3.46Å; F89-A121 HydrophobicContact CD1-CB 4.36Å; F89-A121 HydrophobicContact CE1-CB 3.62Å; F89-A121 HydrophobicContact CZ-CB 3.72Å; F89-A121 PolarHBondContact N-O 2.93Å; F89-A121 PolarHBondContact O-N 3.32Å; F89-A121 VanDerWaalsContact O-N 3.1Å
90	I	98.8	Very high	97.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	134.2	167.1	-70.4	171.5	0	0	0	108	S77 L78 I117 V119 L120 L135 M136 Y139	S77-I90 CarbonylContact C-O 3.56Å; S77-I90 VanDerWaalsContact CA-O 3.28Å; S77-I90 WeakPolarHBondContact CA-O 3.44Å; S77-I90 WeakPolarHBondContact CB-O 3.44Å; L78-I90 PolarHBondContact N-O 3.24Å; L78-I90 PolarHBondContact O-N 3.48Å; I90-I117 HydrophobicContact CG2-CG2 3.92Å; I90-V119 WeakPolarHBondContact CA-O 3.42Å; I90-L120 HydrophobicContact CD1-CD1 4.02Å; I90-L120 HydrophobicContact CG1-CB 4.16Å; I90-L120 HydrophobicContact CG1-CD1 3.56Å; I90-L120 HydrophobicContact CG1-CG 4.4Å; I90-L135 HydrophobicContact CD1-CD2 4.33Å; I90-L135 HydrophobicContact CD1-CG 4.01Å; I90-L135 HydrophobicContact CG1-CD2 4.01Å; I90-L135 HydrophobicContact CG1-CG 4.23Å; I90-M136 HydrophobicContact CD1-CE 4.26Å; I90-Y139 HydrophobicContact CB-CD2 4.41Å; I90-Y139 HydrophobicContact CD1-CD1 4.12Å; I90-Y139 HydrophobicContact CD1-CD2 4.4Å; I90-Y139 HydrophobicContact CD1-CG 3.8Å; I90-Y139 HydrophobicContact CG2-CD1 4.03Å; I90-Y139 HydrophobicContact CG2-CD2 4.02Å; I90-Y139 HydrophobicContact CG2-CE1 3.86Å; I90-Y139 HydrophobicContact CG2-CE2 3.83Å; I90-Y139 HydrophobicContact CG2-CG 4.1Å
91	I	98.8	Very high	97.5	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	130.6	165.8	-67.3	175.6	0	0	0	108.4	L36 V44 L61 V66 F69 L70 F89 H118 V119	L36-I91 HydrophobicContact CD1-CD1 4.45Å; L36-I91 HydrophobicContact CD1-CG1 4.03Å; V44-I91 HydrophobicContact CG1-CD1 3.77Å; V44-I91 HydrophobicContact CG2-CD1 4.48Å; L61-I91 HydrophobicContact CD1-CB 4.04Å; L61-I91 HydrophobicContact CD1-CD1 4.1Å; L61-I91 HydrophobicContact CD1-CG2 3.74Å; V66-I91 HydrophobicContact CB-CD1 4.48Å; V66-I91 HydrophobicContact CG1-CD1 3.88Å; V66-I91 HydrophobicContact CG2-CD1 4.3Å; F69-I91 HydrophobicContact CB-CG2 3.88Å; F69-I91 HydrophobicContact CD2-CG2 4.27Å; F69-I91 HydrophobicContact CG-CG2 4.35Å; L70-I91 HydrophobicContact CD2-CD1 4.23Å; L70-I91 HydrophobicContact CD2-CG1 4.21Å; L70-I91 HydrophobicContact CG-CD1 4.4Å; F89-I91 HydrophobicContact CD2-CD1 4.33Å; F89-I91 HydrophobicContact CD2-CG1 4.05Å; F89-I91 HydrophobicContact CE2-CD1 4.25Å; F89-I91 HydrophobicContact CE2-CG1 4.3Å; I91-H118 PolarHBondContact O-N 3.25Å; I91-V119 HydrophobicContact CB-CG1 3.84Å; I91-V119 HydrophobicContact CG1-CG1 4.42Å; I91-V119 PolarHBondContact N-O 3.28Å; I91-V119 VanDerWaalsContact N-O 3.15Å; I91-V119 PolarHBondContact O-N 3.1Å
92	G	98.6	Very high	97.2	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.01	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	161.2	176	0	0	0	0	0	112.5	L76 H116	L76-G92 WeakPolarHBondContact CB-O 3.36Å; L76-G92 PolarHBondContact O-N 2.95Å; L76-G92 VanDerWaalsContact O-N 3.14Å; G92-H116 CarbonylContact C-O 3.52Å; G92-H116 WeakPolarHBondContact CA-O 3.44Å
93	S	98.8	Very high	97.1	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.007	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	174.7	169.2	76.8	0	0	0	0	110.3	L107 V115 H116 H118	S93-L107 PolarHBondContact OG-O 3.15Å; S93-L107 VanDerWaalsContact OG-O 3.08Å; S93-V115 CarbonylContact O-C 3.52Å; S93-V115 WeakPolarHBondContact O-CA 3.36Å; S93-H116 PolarHBondContact N-O 2.8Å; S93-H116 PolarHBondContact O-N 3.33Å; S93-H118 WeakPolarHBondContact CB-NE2 3.48Å; S93-H118 PolarHBondContact OG-NE2 3.21Å
94	L	98.7	Very high	97.1	Very high	6 Å²	6	41.5 Å²	41.5	3%	0.031	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	146.3	172.9	-69.6	176.5	0	0	0	111.8	L76 H108 K109 P110 T114 V115 Y148	L76-L94 HydrophobicContact CD1-CD2 4.02Å; L76-L94 HydrophobicContact CD1-CG 3.69Å; L94-H108 PolarHBondContact N-ND1 3.12Å; L94-K109 WeakPolarHBondContact CB-O 3.07Å; L94-K109 WeakPolarHBondContact O-CB 3.39Å; L94-K109 PolarHBondContact O-N 2.8Å; L94-P110 WeakPolarHBondContact CD1-O 3.31Å; L94-T114 CarbonylContact C-O 3.6Å; L94-T114 WeakPolarHBondContact CA-O 3.05Å; L94-V115 HydrophobicContact CD2-CG2 3.99Å; L94-Y148 HydrophobicContact CD1-CD2 4.29Å; L94-Y148 HydrophobicContact CD1-CE2 4.02Å; L94-Y148 HydrophobicContact CD2-CD2 4.3Å; L94-Y148 HydrophobicContact CD2-CE2 4.04Å
95	W	98.6	Very high	97.1	Very high	1 Å²	1	41.2 Å²	41.2	0%	0.004	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	147.2	177	-172.6	-120.7	0	0	0	111	Q97 R99 L100 T101 D103 A104 K109 G112 A113 T114 H116	W95-Q97 HydrophobicContact CH2-CG 4.27Å; W95-Q97 HydrophobicContact CZ2-CB 3.75Å; W95-Q97 VanDerWaalsContact CZ2-CD 3.43Å; W95-Q97 HydrophobicContact CZ2-CG 3.59Å; W95-Q97 PolarHBondContact NE1-O 2.86Å; W95-R99 PolarHBondContact NE1-O 3.4Å; W95-L100 HydrophobicContact CG-CD2 4.49Å; W95-T101 WeakPolarHBondContact CH2-OG1 3.33Å; W95-T101 WeakPolarHBondContact CZ2-OG1 3.23Å; W95-D103 HydrophobicContact CH2-CB 3.97Å; W95-D103 HydrophobicContact CZ3-CB 4.31Å; W95-A104 HydrophobicContact CD2-CB 3.89Å; W95-A104 HydrophobicContact CE3-CB 3.81Å; W95-A104 HydrophobicContact CH2-CB 3.97Å; W95-A104 HydrophobicContact CZ2-CB 4.03Å; W95-A104 HydrophobicContact CZ3-CB 3.85Å; W95-K109 HydrophobicContact CE3-CG 3.76Å; W95-K109 HydrophobicContact CZ3-CG 4.07Å; W95-G112 CarbonylContact O-C 3.48Å; W95-G112 WeakPolarHBondContact O-CA 3.42Å; W95-A113 PolarHBondContact O-N 2.78Å; W95-T114 HydrophobicContact CB-CG2 4.31Å; W95-T114 PolarHBondContact N-O 3.36Å; W95-T114 VanDerWaalsContact O-CB 3.28Å; W95-T114 WeakPolarHBondContact O-CB 3.5Å; W95-T114 PolarHBondContact O-N 2.9Å; W95-H116 HydrophobicContact CB-CB 4.34Å
96	D	97.5	Very high	97	Very high	87 Å²	87	35 Å²	35	47%	0.465	18%	0.176	S	C	.	.			trans	-117.6	-5.1	-172.2	60.5	-3.4	0	0	0	114.7	K109	D96-K109 HydrophobicContact CB-CB 4.1Å; D96-K109 HydrophobicContact CB-CG 4.41Å; D96-K109 WeakPolarHBondContact OD1-CG 3.22Å
97	Q	96.4	Very high	97	Very high	85 Å²	85	37.1 Å²	37.1	40%	0.397	19%	0.187	S	C	.	.	S	Bend	trans	-104.5	166.2	177.6	-47.6	-178.2	20.4	0	0	112.3	W95 R151	W95-Q97 HydrophobicContact CH2-CG 4.27Å; W95-Q97 HydrophobicContact CZ2-CB 3.75Å; W95-Q97 VanDerWaalsContact CZ2-CD 3.43Å; W95-Q97 HydrophobicContact CZ2-CG 3.59Å; W95-Q97 PolarHBondContact NE1-O 2.86Å; Q97-R151 PolarHBondContact O-NH2 2.81Å
98	E	94.6	Very high	97	Very high	152 Å²	152	38.6 Å²	38.6	71%	0.71	19%	0.194	S	C	*	.	S	Bend	trans	-69.2	-44.6	-176.8	-174.9	171.6	-172.4	0	0	113.1	R151	E98-R151 VanDerWaalsContact C-NH2 3.29Å; E98-R151 VanDerWaalsContact CA-NH2 3.26Å; E98-R151 PolarHBondContact O-NH1 3.02Å; E98-R151 PolarHBondContact O-NH2 2.77Å
99	R	96.8	Very high	96.9	Very high	67 Å²	67	41 Å²	41	25%	0.253	21%	0.205	S	C	.	.	S	Bend	trans	-110.2	157.9	179.9	-60.5	-60.9	-56.4	-117.2	-7.6	110.4	W95 L172 P174 E186	W95-R99 PolarHBondContact NE1-O 3.4Å; R99-L172 PolarHBondContact NH1-O 3.5Å; R99-P174 PolarHBondContact NH2-O 3.27Å; R99-E186 WeakPolarHBondContact CA-OE1 3.48Å; R99-E186 IonicContact CZ-OE2 2.71Å; R99-E186 VanDerWaalsContact CZ-OE2 3.23Å; R99-E186 VanDerWaalsContact NE-CD 3.32Å; R99-E186 IonicContact NE-OE1 3.23Å; R99-E186 PolarHBondContact NE-OE1 2.8Å; R99-E186 IonicContact NE-OE2 3.72Å; R99-E186 PolarHBondContact NE-OE2 3.22Å; R99-E186 IonicContact NH2-OE2 3.03Å; R99-E186 PolarHBondContact NH2-OE2 2.86Å
100	L	97.4	Very high	96.8	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.231	C	C	.	.			trans	-77.6	131.8	171.5	-67.3	175.7	0	0	0	110.1	W95 A104 H116 V153 M155 I177 E186	W95-L100 HydrophobicContact CG-CD2 4.49Å; L100-A104 HydrophobicContact CB-CB 4.46Å; L100-A104 HydrophobicContact CD2-CB 3.67Å; L100-H116 HydrophobicContact CD2-CB 4.18Å; L100-V153 HydrophobicContact CD1-CG2 4.23Å; L100-V153 HydrophobicContact CD2-CG2 3.76Å; L100-V153 HydrophobicContact CG-CG2 4.07Å; L100-M155 HydrophobicContact CD1-CB 4.4Å; L100-I177 HydrophobicContact CB-CD1 3.68Å; L100-E186 HydrophobicContact CD1-CG 4.24Å; L100-E186 HydrophobicContact CG-CG 4.45Å; L100-E186 PolarHBondContact N-OE1 3.25Å; L100-E186 PolarHBondContact N-OE2 3.44Å
101	T	95.6	Very high	96.7	Very high	31 Å²	31	54.1 Å²	54.1	19%	0.19	27%	0.272	C	S	.	.			trans	-119.7	170.7	173.6	64.1	0	0	0	0	109.8	W95 D103 A104 I177	W95-T101 WeakPolarHBondContact CH2-OG1 3.33Å; W95-T101 WeakPolarHBondContact CZ2-OG1 3.23Å; T101-D103 PolarHBondContact O-N 3.41Å; T101-D103 VanDerWaalsContact O-N 3.08Å; T101-A104 WeakPolarHBondContact O-CB 3.45Å; T101-A104 PolarHBondContact O-N 2.87Å; T101-I177 WeakPolarHBondContact O-CD1 3.5Å
102	M	93.9	Very high	96.6	Very high	104 Å²	104	54.2 Å²	54.2	51%	0.512	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-52	-35.7	-179.8	-70.4	-58.6	-63.1	0	0	113.2	A104 L105 I177	M102-A104 PolarHBondContact O-N 3.18Å; M102-L105 HydrophobicContact CE-CD1 3.9Å; M102-L105 WeakPolarHBondContact O-CB 3.49Å; M102-L105 WeakPolarHBondContact O-CG 3.5Å; M102-L105 PolarHBondContact O-N 2.99Å; M102-L105 HydrophobicContact SD-CD1 4.3Å; M102-I177 HydrophobicContact SD-CB 4.28Å; M102-I177 HydrophobicContact SD-CG1 4.31Å; M102-I177 HydrophobicContact SD-CG2 3.79Å
103	D	94.8	Very high	96.5	Very high	88 Å²	88	56 Å²	56	47%	0.471	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-59.2	-31.4	175.5	-75.6	3.1	0	0	0	113.1	W95 T101 L105 T106 L107	W95-D103 HydrophobicContact CH2-CB 3.97Å; W95-D103 HydrophobicContact CZ3-CB 4.31Å; T101-D103 PolarHBondContact O-N 3.41Å; T101-D103 VanDerWaalsContact O-N 3.08Å; D103-L105 PolarHBondContact O-N 3.15Å; D103-T106 PolarHBondContact O-N 3.1Å; D103-L107 HydrophobicContact CB-CD1 3.86Å; D103-L107 HydrophobicContact CB-CG 4.41Å; D103-L107 VanDerWaalsContact O-CB 3.26Å; D103-L107 WeakPolarHBondContact O-CB 3.33Å; D103-L107 VanDerWaalsContact O-CG 3.26Å; D103-L107 WeakPolarHBondContact O-CG 3.33Å; D103-L107 PolarHBondContact O-N 2.89Å
104	A	95.1	Very high	96.5	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.008	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-66.5	-16.8	-178.8	0	0	0	0	0	113.1	W95 L100 T101 M102 H116 H118	W95-A104 HydrophobicContact CD2-CB 3.89Å; W95-A104 HydrophobicContact CE3-CB 3.81Å; W95-A104 HydrophobicContact CH2-CB 3.97Å; W95-A104 HydrophobicContact CZ2-CB 4.03Å; W95-A104 HydrophobicContact CZ3-CB 3.85Å; L100-A104 HydrophobicContact CB-CB 4.46Å; L100-A104 HydrophobicContact CD2-CB 3.67Å; T101-A104 WeakPolarHBondContact O-CB 3.45Å; T101-A104 PolarHBondContact O-N 2.87Å; M102-A104 PolarHBondContact O-N 3.18Å; A104-H116 PolarHBondContact O-CE1 3.11Å; A104-H116 PolarHBondContact O-ND1 3.18Å; A104-H118 PolarHBondContact O-CE1 2.83Å
105	L	94.4	Very high	96.5	Very high	31 Å²	31	56 Å²	56	16%	0.162	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-72.2	-29.9	177.1	-60.4	-178.4	0	0	0	112.8	M102 D103 H118 M155 I177 V179	M102-L105 HydrophobicContact CE-CD1 3.9Å; M102-L105 WeakPolarHBondContact O-CB 3.49Å; M102-L105 WeakPolarHBondContact O-CG 3.5Å; M102-L105 PolarHBondContact O-N 2.99Å; M102-L105 HydrophobicContact SD-CD1 4.3Å; D103-L105 PolarHBondContact O-N 3.15Å; L105-H118 PolarHBondContact O-CE1 2.95Å; L105-M155 HydrophobicContact CD2-CE 3.6Å; L105-I177 HydrophobicContact CD1-CG2 3.87Å; L105-I177 HydrophobicContact CD2-CD1 4.05Å; L105-I177 HydrophobicContact CD2-CG2 4.22Å; L105-I177 HydrophobicContact CG-CD1 4.25Å; L105-I177 HydrophobicContact CG-CG2 4.32Å; L105-V179 HydrophobicContact CD1-CG2 4.4Å
106	T	94.8	Very high	96.5	Very high	62 Å²	62	56.1 Å²	56.1	38%	0.38	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.1	-15.5	-173	59.2	0	0	0	0	113.3	D103	D103-T106 PolarHBondContact O-N 3.1Å
107	L	97.1	Very high	96.6	Very high	59 Å²	59	52.2 Å²	52.2	31%	0.309	27%	0.269	S	S	.	.			trans	-96.6	144.3	-176.4	-60.1	-173.9	0	0	0	113.6	S93 D103	S93-L107 PolarHBondContact OG-O 3.15Å; S93-L107 VanDerWaalsContact OG-O 3.08Å; D103-L107 HydrophobicContact CB-CD1 3.86Å; D103-L107 HydrophobicContact CB-CG 4.41Å; D103-L107 VanDerWaalsContact O-CB 3.26Å; D103-L107 WeakPolarHBondContact O-CB 3.33Å; D103-L107 VanDerWaalsContact O-CG 3.26Å; D103-L107 WeakPolarHBondContact O-CG 3.33Å; D103-L107 PolarHBondContact O-N 2.89Å
108	H	98	Very high	96.6	Very high	33 Å²	33	49.2 Å²	49.2	15%	0.153	26%	0.255	C	S	.	.			trans	-108.8	127.9	160.4	172	88.7	0	0	0	108.5	F69 L72 C73 L94 P110	F69-H108 HydrophobicContact CE1-CB 4.36Å; L72-H108 HydrophobicContact CD1-CB 4.14Å; C73-H108 PolarHBondContact SG-ND1 2.81Å; L94-H108 PolarHBondContact N-ND1 3.12Å; H108-P110 WeakPolarHBondContact NE2-CA 3.47Å; H108-P110 WeakPolarHBondContact O-CD 3.28Å
109	K	98.1	Very high	96.8	Very high	52 Å²	52	42.3 Å²	42.3	23%	0.226	22%	0.223	C	C	.	.			trans	-109.2	93.6	179.4	-58.4	-69.1	-170.5	176.9	0	109.6	L94 W95 D96 H111 G112	L94-K109 WeakPolarHBondContact CB-O 3.07Å; L94-K109 WeakPolarHBondContact O-CB 3.39Å; L94-K109 PolarHBondContact O-N 2.8Å; W95-K109 HydrophobicContact CE3-CG 3.76Å; W95-K109 HydrophobicContact CZ3-CG 4.07Å; D96-K109 HydrophobicContact CB-CB 4.1Å; D96-K109 HydrophobicContact CB-CG 4.41Å; D96-K109 WeakPolarHBondContact OD1-CG 3.22Å; K109-H111 PolarHBondContact O-N 3.15Å; K109-G112 WeakPolarHBondContact O-CA 3.27Å; K109-G112 PolarHBondContact O-N 3.31Å
110	P	96.6	Very high	96.9	Very high	85 Å²	85	40.1 Å²	40.1	55%	0.552	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-25.6	-170	-25.9	32.3	0	0	0	115.6	L94 H108	L94-P110 WeakPolarHBondContact CD1-O 3.31Å; H108-P110 WeakPolarHBondContact NE2-CA 3.47Å; H108-P110 WeakPolarHBondContact O-CD 3.28Å
111	H	95.5	Very high	96.9	Very high	189 Å²	189	40.4 Å²	40.4	88%	0.875	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.6	3	178.8	-57.9	-53.2	0	0	0	113.4	K109	K109-H111 PolarHBondContact O-N 3.15Å
112	G	97.1	Very high	97	Very high	3 Å²	3	39.7 Å²	39.7	3%	0.031	21%	0.214	C	C	.	.			trans	-67.6	146	176	0	0	0	0	0	112.3	W95 K109	W95-G112 CarbonylContact O-C 3.48Å; W95-G112 WeakPolarHBondContact O-CA 3.42Å; K109-G112 WeakPolarHBondContact O-CA 3.27Å; K109-G112 PolarHBondContact O-N 3.31Å
113	A	97.1	Very high	97.2	Very high	40 Å²	40	38 Å²	38	33%	0.331	21%	0.205	S	C	.	.	S	Bend	trans	-102.1	3	175.1	0	0	0	0	0	112.8	W95 Y148 R150 R151	W95-A113 PolarHBondContact O-N 2.78Å; A113-Y148 WeakPolarHBondContact CA-O 3.28Å; A113-R150 HydrophobicContact CB-CB 4.21Å; A113-R150 HydrophobicContact CB-CG 3.83Å; A113-R150 PolarHBondContact O-N 2.76Å; A113-R151 PolarHBondContact O-N 3.35Å
114	T	98.4	Very high	97.2	Very high	7 Å²	7	42 Å²	42	4%	0.043	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	129.5	-177.4	-54.6	0	0	0	0	109.1	L94 W95 R151 V153	L94-T114 CarbonylContact C-O 3.6Å; L94-T114 WeakPolarHBondContact CA-O 3.05Å; W95-T114 HydrophobicContact CB-CG2 4.31Å; W95-T114 PolarHBondContact N-O 3.36Å; W95-T114 VanDerWaalsContact O-CB 3.28Å; W95-T114 WeakPolarHBondContact O-CB 3.5Å; W95-T114 PolarHBondContact O-N 2.9Å; T114-R151 WeakPolarHBondContact CA-O 3.17Å; T114-R151 HydrophobicContact CG2-CG 3.84Å; T114-R151 WeakPolarHBondContact OG1-CG 3.28Å; T114-R151 PolarHBondContact OG1-NE 3.03Å; T114-R151 PolarHBondContact OG1-NH2 2.71Å; T114-V153 HydrophobicContact CG2-CB 4.21Å; T114-V153 HydrophobicContact CG2-CG1 3.78Å; T114-V153 HydrophobicContact CG2-CG2 3.47Å; T114-V153 VanDerWaalsContact CG2-CG2 3.47Å
115	V	98.7	Very high	97.3	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	116.9	167.2	172.5	0	0	0	0	108.5	L76 S93 L94 I117 Y139 L143 V149 R151 A152 V153	L76-V115 HydrophobicContact CD2-CG2 4.13Å; S93-V115 CarbonylContact O-C 3.52Å; S93-V115 WeakPolarHBondContact O-CA 3.36Å; L94-V115 HydrophobicContact CD2-CG2 3.99Å; V115-I117 HydrophobicContact CG1-CG1 4.3Å; V115-Y139 HydrophobicContact CG1-CE1 4.15Å; V115-Y139 WeakPolarHBondContact CG1-OH 3.45Å; V115-L143 HydrophobicContact CB-CD1 4.01Å; V115-L143 HydrophobicContact CG1-CD1 4.06Å; V115-L143 HydrophobicContact CG1-CD2 4.34Å; V115-L143 HydrophobicContact CG2-CD1 4.16Å; V115-L143 HydrophobicContact CG2-CD2 3.91Å; V115-V149 HydrophobicContact CG2-CB 4.39Å; V115-V149 HydrophobicContact CG2-CG1 3.74Å; V115-V149 HydrophobicContact CG2-CG2 3.66Å; V115-R151 PolarHBondContact N-O 3.33Å; V115-A152 HydrophobicContact CB-CB 4.47Å; V115-A152 CarbonylContact O-C 3.43Å; V115-A152 VanDerWaalsContact O-CA 3.24Å; V115-A152 WeakPolarHBondContact O-CA 3.01Å; V115-V153 PolarHBondContact O-N 3.34Å
116	H	98.7	Very high	97.3	Very high	3 Å²	3	47.3 Å²	47.3	1%	0.014	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	117.5	167.3	176	-147.4	0	0	0	108.4	G92 S93 W95 L100 A104 H118 V153	G92-H116 CarbonylContact C-O 3.52Å; G92-H116 WeakPolarHBondContact CA-O 3.44Å; S93-H116 PolarHBondContact N-O 2.8Å; S93-H116 PolarHBondContact O-N 3.33Å; W95-H116 HydrophobicContact CB-CB 4.34Å; L100-H116 HydrophobicContact CD2-CB 4.18Å; A104-H116 PolarHBondContact O-CE1 3.11Å; A104-H116 PolarHBondContact O-ND1 3.18Å; H116-H118 AromaticContact CE1-CE1 3.57Å; H116-H118 AromaticContact CE1-CG 3.87Å; H116-H118 AromaticContact CE1-ND1 3.28Å; H116-H118 PolarHBondContact CE1-ND1 2.94Å; H116-H118 VanDerWaalsContact CE1-ND1 3.28Å; H116-H118 AromaticContact ND1-CE1 3.22Å; H116-H118 PolarHBondContact ND1-CE1 3.32Å; H116-H118 AromaticContact ND1-CG 3.91Å; H116-H118 AromaticContact ND1-ND1 3.41Å; H116-H118 PolarHBondContact ND1-ND1 2.64Å; H116-H118 AromaticContact ND1-NE2 3.56Å; H116-H118 PolarHBondContact O-N 2.87Å; H116-V153 WeakPolarHBondContact CA-O 3.5Å; H116-V153 HydrophobicContact CB-CG2 4.27Å
117	I	98.8	Very high	97.3	Very high	5 Å²	5	48.4 Å²	48.4	3%	0.026	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	101.3	172.1	-61.2	165.5	0	0	0	107.2	I90 V115 V119 M136 Y139 A152 V153 L154 F169	I90-I117 HydrophobicContact CG2-CG2 3.92Å; V115-I117 HydrophobicContact CG1-CG1 4.3Å; I117-V119 VanDerWaalsContact C-N 3.35Å; I117-M136 HydrophobicContact CD1-CE 4.18Å; I117-M136 HydrophobicContact CD1-SD 4.31Å; I117-Y139 HydrophobicContact CD1-CD1 4.05Å; I117-Y139 HydrophobicContact CD1-CE1 3.82Å; I117-Y139 HydrophobicContact CG1-CD1 4.38Å; I117-Y139 HydrophobicContact CG1-CE1 3.7Å; I117-A152 HydrophobicContact CD1-CB 4.3Å; I117-V153 PolarHBondContact N-O 3.35Å; I117-L154 HydrophobicContact CB-CB 4.1Å; I117-L154 HydrophobicContact CD1-CD2 4.26Å; I117-F169 HydrophobicContact CD1-CZ 4.04Å
118	H	98.1	Very high	97.2	Very high	22 Å²	22	55 Å²	55	10%	0.102	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	-41	-179.6	-67.7	-88.5	0	0	0	111.6	L61 F69 I91 S93 A104 L105 H116	L61-H118 HydrophobicContact CD1-CB 3.9Å; L61-H118 HydrophobicContact CD2-CB 4.21Å; L61-H118 HydrophobicContact CG-CB 4.19Å; F69-H118 AromaticContact CE1-NE2 3.77Å; F69-H118 AromaticContact CE2-CE1 3.52Å; F69-H118 AromaticContact CE2-ND1 3.91Å; F69-H118 AromaticContact CE2-NE2 3.68Å; F69-H118 AromaticContact CZ-CE1 3.28Å; F69-H118 WeakPolarHBondContact CZ-CE1 3.4Å; F69-H118 AromaticContact CZ-NE2 3.42Å; F69-H118 WeakPolarHBondContact CZ-NE2 3.31Å; I91-H118 PolarHBondContact O-N 3.25Å; S93-H118 WeakPolarHBondContact CB-NE2 3.48Å; S93-H118 PolarHBondContact OG-NE2 3.21Å; A104-H118 PolarHBondContact O-CE1 2.83Å; L105-H118 PolarHBondContact O-CE1 2.95Å; H116-H118 AromaticContact CE1-CE1 3.57Å; H116-H118 AromaticContact CE1-CG 3.87Å; H116-H118 AromaticContact CE1-ND1 3.28Å; H116-H118 PolarHBondContact CE1-ND1 2.94Å; H116-H118 VanDerWaalsContact CE1-ND1 3.28Å; H116-H118 AromaticContact ND1-CE1 3.22Å; H116-H118 PolarHBondContact ND1-CE1 3.32Å; H116-H118 AromaticContact ND1-CG 3.91Å; H116-H118 AromaticContact ND1-ND1 3.41Å; H116-H118 PolarHBondContact ND1-ND1 2.64Å; H116-H118 AromaticContact ND1-NE2 3.56Å; H116-H118 PolarHBondContact O-N 2.87Å
119	V	98	Very high	97.1	Very high	6 Å²	6	58.6 Å²	58.6	4%	0.036	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	141.1	-173.5	55.5	0	0	0	0	111.3	E48 F52 P60 L61 F89 I90 I91 I117 A121	E48-V119 HydrophobicContact CG-CG2 4.43Å; F52-V119 HydrophobicContact CE2-CG2 3.8Å; F52-V119 HydrophobicContact CZ-CG2 4.11Å; P60-V119 HydrophobicContact CB-CB 4.03Å; P60-V119 HydrophobicContact CB-CG2 4.24Å; P60-V119 HydrophobicContact CG-CG2 4.25Å; L61-V119 HydrophobicContact CD1-CG1 3.71Å; L61-V119 HydrophobicContact CG-CG1 4.33Å; F89-V119 HydrophobicContact CD2-CG1 4.47Å; F89-V119 HydrophobicContact CE2-CB 4.42Å; F89-V119 HydrophobicContact CE2-CG1 3.61Å; F89-V119 HydrophobicContact CE2-CG2 3.97Å; F89-V119 HydrophobicContact CZ-CG1 4.43Å; F89-V119 HydrophobicContact CZ-CG2 4.09Å; I90-V119 WeakPolarHBondContact CA-O 3.42Å; I91-V119 HydrophobicContact CB-CG1 3.84Å; I91-V119 HydrophobicContact CG1-CG1 4.42Å; I91-V119 PolarHBondContact N-O 3.28Å; I91-V119 VanDerWaalsContact N-O 3.15Å; I91-V119 PolarHBondContact O-N 3.1Å; I117-V119 VanDerWaalsContact C-N 3.35Å; V119-A121 HydrophobicContact CG2-CB 4.36Å
120	L	98.3	Very high	97	Very high	22 Å²	22	57.9 Å²	57.9	12%	0.115	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	120.4	163.3	163.4	65.2	0	0	0	106.8	F89 I90 L135 M136 F163 Y164	F89-L120 WeakPolarHBondContact O-CA 3.46Å; I90-L120 HydrophobicContact CD1-CD1 4.02Å; I90-L120 HydrophobicContact CG1-CB 4.16Å; I90-L120 HydrophobicContact CG1-CD1 3.56Å; I90-L120 HydrophobicContact CG1-CG 4.4Å; L120-L135 HydrophobicContact CD1-CD2 4.02Å; L120-M136 HydrophobicContact CD2-CE 3.81Å; L120-F163 HydrophobicContact CD2-CE1 3.82Å; L120-F163 HydrophobicContact CD2-CZ 4Å; L120-Y164 HydrophobicContact CD2-CE1 4.33Å
121	A	98.1	Very high	97.1	Very high	5 Å²	5	54.5 Å²	54.5	4%	0.041	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	150.4	176	0	0	0	0	0	112	I47 A51 F52 A88 F89 V119	I47-A121 HydrophobicContact CG2-CB 3.78Å; A51-A121 HydrophobicContact CB-CB 4.45Å; F52-A121 HydrophobicContact CE2-CB 4.04Å; A88-A121 CarbonylContact C-O 3.54Å; A88-A121 VanDerWaalsContact CA-O 3.24Å; A88-A121 WeakPolarHBondContact CA-O 3.36Å; F89-A121 HydrophobicContact CD1-CB 4.36Å; F89-A121 HydrophobicContact CE1-CB 3.62Å; F89-A121 HydrophobicContact CZ-CB 3.72Å; F89-A121 PolarHBondContact N-O 2.93Å; F89-A121 PolarHBondContact O-N 3.32Å; F89-A121 VanDerWaalsContact O-N 3.1Å; V119-A121 HydrophobicContact CG2-CB 4.36Å
122	V	97.9	Very high	97.2	Very high	16 Å²	16	46.1 Å²	46.1	10%	0.097	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	130.9	175	-177.4	0	0	0	0	107.5	A88 R124 F126 R127 K131	A88-V122 HydrophobicContact CB-CB 4.32Å; A88-V122 HydrophobicContact CB-CG1 4.28Å; A88-V122 HydrophobicContact CB-CG2 3.9Å; V122-R124 PolarHBondContact O-N 2.89Å; V122-F126 HydrophobicContact CG1-CB 4.08Å; V122-R127 HydrophobicContact CB-CG 4.17Å; V122-R127 HydrophobicContact CG1-CG 4.16Å; V122-R127 PolarHBondContact O-NE 2.86Å; V122-R127 PolarHBondContact O-NH2 2.86Å; V122-R127 VanDerWaalsContact O-NH2 3.1Å; V122-K131 HydrophobicContact CG1-CB 4.24Å
123	H	97.4	Very high	97.3	Very high	70 Å²	70	48.6 Å²	48.6	32%	0.324	25%	0.251	S	S	.	.			trans	-54.5	135.8	174.8	-178	-82.9	0	0	0	110.3	I47 V87 T125 F126 R127	I47-H123 HydrophobicContact CD1-CB 4.25Å; I47-H123 HydrophobicContact CG1-CB 4.25Å; V87-H123 VanDerWaalsContact O-CB 3.31Å; V87-H123 WeakPolarHBondContact O-CB 3.4Å; V87-H123 PolarHBondContact O-N 2.92Å; H123-T125 VanDerWaalsContact C-N 3.32Å; H123-T125 PolarHBondContact CE1-OG1 3Å; H123-T125 VanDerWaalsContact CE1-OG1 3.26Å; H123-T125 PolarHBondContact ND1-N 2.96Å; H123-T125 PolarHBondContact ND1-OG1 3.41Å; H123-T125 PolarHBondContact O-N 2.69Å; H123-T125 VanDerWaalsContact O-N 3.12Å; H123-F126 HydrophobicContact CB-CD2 4.01Å; H123-F126 AromaticContact ND1-CD2 3.62Å; H123-F126 AromaticContact ND1-CE2 3.96Å; H123-F126 WeakPolarHBondContact O-CA 3.23Å; H123-F126 PolarHBondContact O-N 3.48Å; H123-R127 PolarHBondContact O-N 3.18Å
124	R	95.4	Very high	97.3	Very high	172 Å²	172	50.5 Å²	50.5	65%	0.649	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-45.9	-48.4	-169.7	-168	-175.4	174.3	164.5	-4.4	114.9	E50 V122 F126 R127	E50-R124 WeakPolarHBondContact OE1-CB 3.24Å; E50-R124 VanDerWaalsContact OE1-CD 3.24Å; E50-R124 WeakPolarHBondContact OE1-CD 3.49Å; E50-R124 WeakPolarHBondContact OE1-CG 3.22Å; V122-R124 PolarHBondContact O-N 2.89Å; R124-F126 PolarHBondContact O-N 2.65Å; R124-R127 WeakPolarHBondContact O-CB 3.43Å; R124-R127 PolarHBondContact O-N 3.23Å
125	T	95.9	Very high	97.3	Very high	90 Å²	90	50.1 Å²	50.1	55%	0.552	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-68.3	-13.2	-176.4	57.8	0	0	0	0	113.7	H123 Q129	H123-T125 VanDerWaalsContact C-N 3.32Å; H123-T125 PolarHBondContact CE1-OG1 3Å; H123-T125 VanDerWaalsContact CE1-OG1 3.26Å; H123-T125 PolarHBondContact ND1-N 2.96Å; H123-T125 PolarHBondContact ND1-OG1 3.41Å; H123-T125 PolarHBondContact O-N 2.69Å; H123-T125 VanDerWaalsContact O-N 3.12Å; T125-Q129 PolarHBondContact O-NE2 2.79Å
126	F	95.8	Very high	97.3	Very high	52 Å²	52	50.1 Å²	50.1	23%	0.228	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-111.8	6	-178.2	-62.2	-80.9	0	0	0	113.1	E82 V87 V122 H123 R124 K131	E82-F126 WeakPolarHBondContact OE2-CE1 3.24Å; V87-F126 HydrophobicContact CB-CD2 3.84Å; V87-F126 HydrophobicContact CB-CE2 4.13Å; V87-F126 HydrophobicContact CB-CG 4.08Å; V87-F126 HydrophobicContact CG1-CD1 4.45Å; V87-F126 HydrophobicContact CG1-CD2 3.73Å; V87-F126 HydrophobicContact CG1-CE1 4.21Å; V87-F126 HydrophobicContact CG1-CE2 3.46Å; V87-F126 VanDerWaalsContact CG1-CE2 3.46Å; V87-F126 HydrophobicContact CG1-CG 4.22Å; V87-F126 HydrophobicContact CG1-CZ 3.72Å; V122-F126 HydrophobicContact CG1-CB 4.08Å; H123-F126 HydrophobicContact CB-CD2 4.01Å; H123-F126 AromaticContact ND1-CD2 3.62Å; H123-F126 AromaticContact ND1-CE2 3.96Å; H123-F126 WeakPolarHBondContact O-CA 3.23Å; H123-F126 PolarHBondContact O-N 3.48Å; R124-F126 PolarHBondContact O-N 2.65Å; F126-K131 HydrophobicContact CB-CD 3.86Å; F126-K131 HydrophobicContact CD1-CD 4.47Å; F126-K131 HydrophobicContact CG-CD 4.5Å
127	R	95.1	Very high	97.3	Very high	86 Å²	86	57.8 Å²	57.8	33%	0.325	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	160.3	173.2	-66.6	-178.3	-177.7	146.9	10.2	110.9	E50 A51 V122 H123 R124 Q129	E50-R127 IonicContact OE1-CZ 3.91Å; E50-R127 IonicContact OE1-NH1 3.2Å; E50-R127 PolarHBondContact OE1-NH1 2.71Å; E50-R127 IonicContact OE1-NH2 3.86Å; E50-R127 IonicContact OE2-CZ 3.33Å; E50-R127 IonicContact OE2-NH1 3.4Å; E50-R127 PolarHBondContact OE2-NH1 3.5Å; E50-R127 IonicContact OE2-NH2 2.64Å; E50-R127 PolarHBondContact OE2-NH2 2.8Å; A51-R127 VanDerWaalsContact CB-NH2 3.28Å; V122-R127 HydrophobicContact CB-CG 4.17Å; V122-R127 HydrophobicContact CG1-CG 4.16Å; V122-R127 PolarHBondContact O-NE 2.86Å; V122-R127 PolarHBondContact O-NH2 2.86Å; V122-R127 VanDerWaalsContact O-NH2 3.1Å; H123-R127 PolarHBondContact O-N 3.18Å; R124-R127 WeakPolarHBondContact O-CB 3.43Å; R124-R127 PolarHBondContact O-N 3.23Å; R127-Q129 PolarHBondContact O-N 3.48Å; R127-Q129 VanDerWaalsContact O-N 3.11Å
128	Q	94.1	Very high	97.3	Very high	196 Å²	196	63 Å²	63	92%	0.916	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	16.3	179.6	-53.2	-59.3	-21.1	0	0	115.3
129	Q	96.3	Very high	97.3	Very high	110 Å²	110	62 Å²	62	51%	0.514	30%	0.296	S	S	.	.	S	Bend	trans	-108.9	18.6	175.3	-61.7	172.5	28.8	0	0	112.1	T125 R127 K131	T125-Q129 PolarHBondContact O-NE2 2.79Å; R127-Q129 PolarHBondContact O-N 3.48Å; R127-Q129 VanDerWaalsContact O-N 3.11Å; Q129-K131 HydrophobicContact CB-CG 4.43Å; Q129-K131 PolarHBondContact O-N 2.84Å
130	G	96.6	Very high	97.3	Very high	36 Å²	36	61.9 Å²	61.9	37%	0.371	30%	0.295	S	S	.	.	S	Bend	trans	73.9	0.3	-177.9	0	0	0	0	0	115.4	G132 S133 I134	G130-G132 PolarHBondContact O-N 2.82Å; G130-S133 WeakPolarHBondContact O-CB 3.43Å; G130-S133 PolarHBondContact O-N 3.08Å; G130-S133 VanDerWaalsContact O-N 3.14Å; G130-I134 WeakPolarHBondContact O-CG1 3.39Å; G130-I134 PolarHBondContact O-N 3.25Å
131	K	97.6	Very high	97.3	Very high	15 Å²	15	63.7 Å²	63.7	7%	0.065	30%	0.303	C	S	.	.	H	α-helix	trans	-60	-42.1	-173.8	-66.7	-160.1	-175.1	-68.4	0	114.6	W80 E82 V87 V122 F126 Q129 S133 I134 L135	W80-K131 HydrophobicContact CD2-CD 4.4Å; W80-K131 HydrophobicContact CE3-CB 3.99Å; W80-K131 HydrophobicContact CE3-CD 4.1Å; W80-K131 HydrophobicContact CE3-CG 4.11Å; W80-K131 HydrophobicContact CH2-CB 4.36Å; W80-K131 HydrophobicContact CH2-CD 4.15Å; W80-K131 HydrophobicContact CH2-CG 3.79Å; W80-K131 HydrophobicContact CZ2-CD 4.41Å; W80-K131 VanDerWaalsContact CZ2-NZ 3.27Å; W80-K131 HydrophobicContact CZ3-CB 3.65Å; W80-K131 HydrophobicContact CZ3-CD 4Å; W80-K131 HydrophobicContact CZ3-CG 3.58Å; E82-K131 WeakPolarHBondContact OE1-CE 3.02Å; E82-K131 IonicContact OE1-NZ 2.56Å; E82-K131 PolarHBondContact OE1-NZ 3.06Å; E82-K131 IonicContact OE2-NZ 3.9Å; V87-K131 HydrophobicContact CG2-CD 4.18Å; V122-K131 HydrophobicContact CG1-CB 4.24Å; F126-K131 HydrophobicContact CB-CD 3.86Å; F126-K131 HydrophobicContact CD1-CD 4.47Å; F126-K131 HydrophobicContact CG-CD 4.5Å; Q129-K131 HydrophobicContact CB-CG 4.43Å; Q129-K131 PolarHBondContact O-N 2.84Å; K131-S133 VanDerWaalsContact C-N 3.33Å; K131-S133 PolarHBondContact O-N 3.42Å; K131-I134 PolarHBondContact O-N 3.18Å; K131-L135 WeakPolarHBondContact O-CB 3.48Å; K131-L135 PolarHBondContact O-N 2.97Å
132	G	97.9	Very high	97.3	Very high	12 Å²	12	67 Å²	67	12%	0.124	32%	0.315	C	S	.	.	H	α-helix	trans	-59.7	-43.4	176.1	0	0	0	0	0	112.1	G130 L135 M136	G130-G132 PolarHBondContact O-N 2.82Å; G132-L135 PolarHBondContact O-N 3.37Å; G132-M136 VanDerWaalsContact O-CB 3.29Å; G132-M136 WeakPolarHBondContact O-CB 3.49Å; G132-M136 PolarHBondContact O-N 2.87Å
133	S	98.2	Very high	97.2	Very high	56 Å²	56	66.2 Å²	66.2	39%	0.392	31%	0.31	S	S	.	.	H	α-helix	trans	-65.4	-42.8	177.1	-49.9	0	0	0	0	112.3	G130 K131 W137 F163	G130-S133 WeakPolarHBondContact O-CB 3.43Å; G130-S133 PolarHBondContact O-N 3.08Å; G130-S133 VanDerWaalsContact O-N 3.14Å; K131-S133 VanDerWaalsContact C-N 3.33Å; K131-S133 PolarHBondContact O-N 3.42Å; S133-W137 WeakPolarHBondContact O-CB 3.4Å; S133-W137 PolarHBondContact O-N 3.31Å; S133-F163 WeakPolarHBondContact OG-CE2 3.5Å
134	I	98.5	Very high	97.2	Very high	79 Å²	79	65 Å²	65	41%	0.405	30%	0.302	S	S	.	.	H	α-helix	trans	-63.6	-45.6	177.4	-69.1	165.6	0	0	0	110.5	F33 W80 G130 K131 W137 R138	F33-I134 HydrophobicContact CZ-CG2 4.25Å; W80-I134 HydrophobicContact CE3-CG2 4.47Å; W80-I134 HydrophobicContact CH2-CB 4.44Å; W80-I134 HydrophobicContact CH2-CD1 3.96Å; W80-I134 HydrophobicContact CH2-CG2 4.08Å; W80-I134 HydrophobicContact CZ3-CB 3.86Å; W80-I134 HydrophobicContact CZ3-CD1 4.15Å; W80-I134 HydrophobicContact CZ3-CG2 3.67Å; G130-I134 WeakPolarHBondContact O-CG1 3.39Å; G130-I134 PolarHBondContact O-N 3.25Å; K131-I134 PolarHBondContact O-N 3.18Å; I134-W137 PolarHBondContact O-N 2.89Å; I134-R138 WeakPolarHBondContact O-CB 3.47Å; I134-R138 PolarHBondContact O-N 3.46Å
135	L	98.6	Very high	97.2	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-64.9	-46	179.9	-169.9	66.3	0	0	0	111.3	F33 L78 W80 A88 I90 L120 K131 G132 W137 R138 Y139	F33-L135 HydrophobicContact CD1-CD1 4.06Å; F33-L135 HydrophobicContact CE1-CD1 4.15Å; L78-L135 HydrophobicContact CD2-CD1 3.67Å; L78-L135 HydrophobicContact CD2-CG 4.47Å; L78-L135 HydrophobicContact CG-CD1 3.77Å; W80-L135 HydrophobicContact CB-CD1 4.21Å; A88-L135 HydrophobicContact CB-CD2 3.75Å; I90-L135 HydrophobicContact CD1-CD2 4.33Å; I90-L135 HydrophobicContact CD1-CG 4.01Å; I90-L135 HydrophobicContact CG1-CD2 4.01Å; I90-L135 HydrophobicContact CG1-CG 4.23Å; L120-L135 HydrophobicContact CD1-CD2 4.02Å; K131-L135 WeakPolarHBondContact O-CB 3.48Å; K131-L135 PolarHBondContact O-N 2.97Å; G132-L135 PolarHBondContact O-N 3.37Å; L135-W137 PolarHBondContact O-N 2.84Å; L135-R138 PolarHBondContact O-N 2.83Å; L135-Y139 WeakPolarHBondContact O-CB 3.35Å; L135-Y139 PolarHBondContact O-N 3.46Å
136	M	98.7	Very high	97.1	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-58.4	-48	174.8	178	56.4	65.8	0	0	111.4	I90 I117 L120 G132 R138 Y139 L140 L154 Y164 F169	I90-M136 HydrophobicContact CD1-CE 4.26Å; I117-M136 HydrophobicContact CD1-CE 4.18Å; I117-M136 HydrophobicContact CD1-SD 4.31Å; L120-M136 HydrophobicContact CD2-CE 3.81Å; G132-M136 VanDerWaalsContact O-CB 3.29Å; G132-M136 WeakPolarHBondContact O-CB 3.49Å; G132-M136 PolarHBondContact O-N 2.87Å; M136-R138 PolarHBondContact O-N 3.46Å; M136-Y139 PolarHBondContact O-N 2.81Å; M136-L140 HydrophobicContact CG-CD1 4.14Å; M136-L140 HydrophobicContact CG-CG 4.46Å; M136-L140 WeakPolarHBondContact O-CG 3.23Å; M136-L140 PolarHBondContact O-N 2.8Å; M136-L140 HydrophobicContact SD-CD1 4.04Å; M136-L140 HydrophobicContact SD-CD2 4.28Å; M136-L140 HydrophobicContact SD-CG 3.91Å; M136-L154 HydrophobicContact CE-CD2 4.34Å; M136-Y164 HydrophobicContact CE-CD1 4.28Å; M136-Y164 HydrophobicContact CE-CE1 3.81Å; M136-F169 HydrophobicContact CE-CE2 4.49Å; M136-F169 HydrophobicContact SD-CE2 3.77Å; M136-F169 HydrophobicContact SD-CZ 4.15Å
137	W	98.4	Very high	97	Very high	163 Å²	163	60.7 Å²	60.7	62%	0.617	30%	0.303	S	S	*	.	H	α-helix	trans	-59	-47.1	178	-179.4	90.5	0	0	0	111.7	S133 I134 L135 Y139 L140 Q141	S133-W137 WeakPolarHBondContact O-CB 3.4Å; S133-W137 PolarHBondContact O-N 3.31Å; I134-W137 PolarHBondContact O-N 2.89Å; L135-W137 PolarHBondContact O-N 2.84Å; W137-Y139 VanDerWaalsContact C-N 3.33Å; W137-Y139 PolarHBondContact O-N 2.93Å; W137-L140 PolarHBondContact O-N 3.19Å; W137-Q141 HydrophobicContact CD2-CG 3.93Å; W137-Q141 HydrophobicContact CE3-CG 4.03Å; W137-Q141 HydrophobicContact CH2-CG 3.72Å; W137-Q141 HydrophobicContact CZ2-CG 3.61Å; W137-Q141 HydrophobicContact CZ3-CG 3.92Å; W137-Q141 WeakPolarHBondContact O-CG 3.35Å; W137-Q141 PolarHBondContact O-N 2.73Å
138	R	98.6	Very high	96.9	Very high	116 Å²	116	60.7 Å²	60.7	44%	0.438	30%	0.304	S	S	.	.	H	α-helix	trans	-62.7	-41	179.4	-176.6	173.1	-103.9	-107.9	1.9	111.3	L78 I134 L135 M136 Q141 Y142	L78-R138 HydrophobicContact CD2-CB 4.23Å; L78-R138 HydrophobicContact CD2-CG 4.01Å; I134-R138 WeakPolarHBondContact O-CB 3.47Å; I134-R138 PolarHBondContact O-N 3.46Å; L135-R138 PolarHBondContact O-N 2.83Å; M136-R138 PolarHBondContact O-N 3.46Å; R138-Q141 PolarHBondContact O-N 3.23Å; R138-Y142 WeakPolarHBondContact O-CB 3.4Å; R138-Y142 PolarHBondContact O-N 3.17Å
139	Y	98.7	Very high	97	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-62.3	-48.6	175.9	-171	-107.1	0	0	0	111.6	L76 L78 I90 V115 I117 L135 M136 W137 Q141 Y142 L143	L76-Y139 WeakPolarHBondContact O-CE2 3.25Å; L76-Y139 PolarHBondContact O-OH 3.28Å; L78-Y139 HydrophobicContact CB-CD2 3.8Å; L78-Y139 HydrophobicContact CB-CE2 4.4Å; L78-Y139 HydrophobicContact CD2-CD2 4.25Å; I90-Y139 HydrophobicContact CB-CD2 4.41Å; I90-Y139 HydrophobicContact CD1-CD1 4.12Å; I90-Y139 HydrophobicContact CD1-CD2 4.4Å; I90-Y139 HydrophobicContact CD1-CG 3.8Å; I90-Y139 HydrophobicContact CG2-CD1 4.03Å; I90-Y139 HydrophobicContact CG2-CD2 4.02Å; I90-Y139 HydrophobicContact CG2-CE1 3.86Å; I90-Y139 HydrophobicContact CG2-CE2 3.83Å; I90-Y139 HydrophobicContact CG2-CG 4.1Å; V115-Y139 HydrophobicContact CG1-CE1 4.15Å; V115-Y139 WeakPolarHBondContact CG1-OH 3.45Å; I117-Y139 HydrophobicContact CD1-CD1 4.05Å; I117-Y139 HydrophobicContact CD1-CE1 3.82Å; I117-Y139 HydrophobicContact CG1-CD1 4.38Å; I117-Y139 HydrophobicContact CG1-CE1 3.7Å; L135-Y139 WeakPolarHBondContact O-CB 3.35Å; L135-Y139 PolarHBondContact O-N 3.46Å; M136-Y139 PolarHBondContact O-N 2.81Å; W137-Y139 VanDerWaalsContact C-N 3.33Å; W137-Y139 PolarHBondContact O-N 2.93Å; Y139-Q141 VanDerWaalsContact C-N 3.31Å; Y139-Q141 PolarHBondContact O-N 3.17Å; Y139-Y142 WeakPolarHBondContact O-CA 3.44Å; Y139-Y142 WeakPolarHBondContact O-CB 3.44Å; Y139-Y142 PolarHBondContact O-N 2.98Å; Y139-Y142 VanDerWaalsContact O-N 3.09Å; Y139-L143 HydrophobicContact CD1-CD1 4.11Å; Y139-L143 HydrophobicContact CD1-CG 4.23Å; Y139-L143 HydrophobicContact CE1-CD1 3.76Å; Y139-L143 HydrophobicContact CE1-CD2 4.08Å; Y139-L143 HydrophobicContact CE1-CG 4.03Å; Y139-L143 HydrophobicContact CE2-CD2 4.45Å; Y139-L143 WeakPolarHBondContact O-CG 3.26Å; Y139-L143 PolarHBondContact O-N 2.96Å
140	L	98.2	Very high	97.1	Very high	4 Å²	4	53.1 Å²	53.1	2%	0.021	26%	0.263	C	S	.	.	H	α-helix	trans	-61.8	-36.3	176.6	-66.4	175.7	0	0	0	112.7	M136 W137 L143 R144 A152 F169 Y189	M136-L140 HydrophobicContact CG-CD1 4.14Å; M136-L140 HydrophobicContact CG-CG 4.46Å; M136-L140 WeakPolarHBondContact O-CG 3.23Å; M136-L140 PolarHBondContact O-N 2.8Å; M136-L140 HydrophobicContact SD-CD1 4.04Å; M136-L140 HydrophobicContact SD-CD2 4.28Å; M136-L140 HydrophobicContact SD-CG 3.91Å; W137-L140 PolarHBondContact O-N 3.19Å; L140-L143 HydrophobicContact CD2-CD1 4.43Å; L140-L143 PolarHBondContact O-N 2.99Å; L140-R144 WeakPolarHBondContact O-CG 3.47Å; L140-R144 PolarHBondContact O-N 3Å; L140-A152 HydrophobicContact CD2-CB 4.28Å; L140-F169 HydrophobicContact CD1-CE2 4.01Å; L140-F169 HydrophobicContact CD2-CE2 4.17Å; L140-F169 HydrophobicContact CD2-CZ 4.09Å; L140-Y189 HydrophobicContact CB-CE1 4.46Å; L140-Y189 HydrophobicContact CD1-CD2 4.05Å; L140-Y189 HydrophobicContact CD1-CE1 4.39Å; L140-Y189 HydrophobicContact CD1-CE2 3.84Å; L140-Y189 HydrophobicContact CD1-CG 4.42Å; L140-Y189 HydrophobicContact CD2-CD1 3.78Å; L140-Y189 HydrophobicContact CD2-CD2 4.48Å; L140-Y189 HydrophobicContact CD2-CE1 4.04Å; L140-Y189 HydrophobicContact CD2-CG 4.03Å
141	Q	97.4	Very high	97.1	Very high	59 Å²	59	53.3 Å²	53.3	28%	0.276	25%	0.252	S	S	.	.	H	α-helix	trans	-64.7	-43.2	172.9	-66.9	-42.4	-55.5	0	0	111.8	W137 R138 Y139 L143 R144	W137-Q141 HydrophobicContact CD2-CG 3.93Å; W137-Q141 HydrophobicContact CE3-CG 4.03Å; W137-Q141 HydrophobicContact CH2-CG 3.72Å; W137-Q141 HydrophobicContact CZ2-CG 3.61Å; W137-Q141 HydrophobicContact CZ3-CG 3.92Å; W137-Q141 WeakPolarHBondContact O-CG 3.35Å; W137-Q141 PolarHBondContact O-N 2.73Å; R138-Q141 PolarHBondContact O-N 3.23Å; Y139-Q141 VanDerWaalsContact C-N 3.31Å; Y139-Q141 PolarHBondContact O-N 3.17Å; Q141-L143 VanDerWaalsContact C-N 3.34Å; Q141-L143 PolarHBondContact O-N 3.14Å; Q141-R144 WeakPolarHBondContact O-CB 3.49Å; Q141-R144 PolarHBondContact O-N 2.99Å
142	Y	97.5	Very high	97.1	Very high	75 Å²	75	52.6 Å²	52.6	29%	0.294	25%	0.249	S	C	.	.	H	α-helix	trans	-59.6	-43.2	175.5	167.5	-106	0	0	0	111.9	E75 R138 Y139 R144 C145 L146	E75-Y142 WeakPolarHBondContact O-CE1 3.42Å; E75-Y142 VanDerWaalsContact O-CZ 3.23Å; E75-Y142 PolarHBondContact O-OH 3.14Å; R138-Y142 WeakPolarHBondContact O-CB 3.4Å; R138-Y142 PolarHBondContact O-N 3.17Å; Y139-Y142 WeakPolarHBondContact O-CA 3.44Å; Y139-Y142 WeakPolarHBondContact O-CB 3.44Å; Y139-Y142 PolarHBondContact O-N 2.98Å; Y139-Y142 VanDerWaalsContact O-N 3.09Å; Y142-R144 PolarHBondContact O-N 3.49Å; Y142-C145 WeakPolarHBondContact O-CA 3.3Å; Y142-C145 VanDerWaalsContact O-CB 3.27Å; Y142-C145 WeakPolarHBondContact O-CB 3.19Å; Y142-C145 PolarHBondContact O-N 3.33Å; Y142-L146 HydrophobicContact CE1-CD1 3.87Å; Y142-L146 HydrophobicContact CE1-CD2 4.49Å; Y142-L146 HydrophobicContact CE1-CG 4.37Å; Y142-L146 HydrophobicContact CE2-CD2 4.3Å
143	L	97.2	Very high	97.2	Very high	0 Å²	0	52 Å²	52	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-59.3	-30.8	177.2	-64.5	-168.8	0	0	0	113.2	V115 Y139 L140 Q141 C145 L146 V149 A152 V191	V115-L143 HydrophobicContact CB-CD1 4.01Å; V115-L143 HydrophobicContact CG1-CD1 4.06Å; V115-L143 HydrophobicContact CG1-CD2 4.34Å; V115-L143 HydrophobicContact CG2-CD1 4.16Å; V115-L143 HydrophobicContact CG2-CD2 3.91Å; Y139-L143 HydrophobicContact CD1-CD1 4.11Å; Y139-L143 HydrophobicContact CD1-CG 4.23Å; Y139-L143 HydrophobicContact CE1-CD1 3.76Å; Y139-L143 HydrophobicContact CE1-CD2 4.08Å; Y139-L143 HydrophobicContact CE1-CG 4.03Å; Y139-L143 HydrophobicContact CE2-CD2 4.45Å; Y139-L143 WeakPolarHBondContact O-CG 3.26Å; Y139-L143 PolarHBondContact O-N 2.96Å; L140-L143 HydrophobicContact CD2-CD1 4.43Å; L140-L143 PolarHBondContact O-N 2.99Å; Q141-L143 VanDerWaalsContact C-N 3.34Å; Q141-L143 PolarHBondContact O-N 3.14Å; L143-C145 PolarHBondContact O-N 2.97Å; L143-L146 HydrophobicContact CD2-CD1 3.86Å; L143-L146 PolarHBondContact O-N 2.93Å; L143-L146 VanDerWaalsContact O-N 3.11Å; L143-V149 HydrophobicContact CB-CG1 4.38Å; L143-A152 HydrophobicContact CD1-CB 3.78Å; L143-V191 HydrophobicContact CB-CG1 4.17Å; L143-V191 HydrophobicContact CB-CG2 4.21Å; L143-V191 HydrophobicContact CD1-CG2 4.38Å
144	R	96.1	Very high	97.2	Very high	43 Å²	43	49.5 Å²	49.5	16%	0.162	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-18	176.1	-61.7	164.2	75.2	81.6	6.3	113.1	L140 Q141 Y142 V191 R192 H194	L140-R144 WeakPolarHBondContact O-CG 3.47Å; L140-R144 PolarHBondContact O-N 3Å; Q141-R144 WeakPolarHBondContact O-CB 3.49Å; Q141-R144 PolarHBondContact O-N 2.99Å; Y142-R144 PolarHBondContact O-N 3.49Å; R144-V191 HydrophobicContact CB-CG1 4.41Å; R144-V191 HydrophobicContact CG-CG1 3.99Å; R144-R192 PolarHBondContact NH1-O 2.83Å; R144-R192 PolarHBondContact NH2-O 3.25Å; R144-H194 PolarHBondContact NE-CD2 2.97Å; R144-H194 PolarHBondContact NE-NE2 2.82Å; R144-H194 PolarHBondContact NH2-CD2 3.02Å; R144-H194 PolarHBondContact NH2-CE1 3.31Å; R144-H194 VanDerWaalsContact NH2-CE1 3.29Å; R144-H194 PolarHBondContact NH2-NE2 3.44Å
145	C	95.3	Very high	97.2	Very high	100 Å²	100	47.5 Å²	47.5	68%	0.676	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-12.6	176	-60	0	0	0	0	112.5	Y142 L143 P147	Y142-C145 WeakPolarHBondContact O-CA 3.3Å; Y142-C145 VanDerWaalsContact O-CB 3.27Å; Y142-C145 WeakPolarHBondContact O-CB 3.19Å; Y142-C145 PolarHBondContact O-N 3.33Å; L143-C145 PolarHBondContact O-N 2.97Å; C145-P147 WeakPolarHBondContact O-CD 3.33Å
146	L	94.7	Very high	97.1	Very high	22 Å²	22	47.7 Å²	47.7	12%	0.115	22%	0.216	C	C	.	.			trans	-86.7	114.1	178.2	-59.3	-179.6	0	0	0	109.9	L76 Y142 L143 Y148 V149	L76-L146 HydrophobicContact CD2-CD1 3.72Å; Y142-L146 HydrophobicContact CE1-CD1 3.87Å; Y142-L146 HydrophobicContact CE1-CD2 4.49Å; Y142-L146 HydrophobicContact CE1-CG 4.37Å; Y142-L146 HydrophobicContact CE2-CD2 4.3Å; L143-L146 HydrophobicContact CD2-CD1 3.86Å; L143-L146 PolarHBondContact O-N 2.93Å; L143-L146 VanDerWaalsContact O-N 3.11Å; L146-Y148 HydrophobicContact CB-CE1 4.3Å; L146-Y148 HydrophobicContact CB-CE2 4.34Å; L146-Y148 HydrophobicContact CD1-CE2 4.39Å; L146-Y148 HydrophobicContact CD2-CE1 4.5Å; L146-Y148 PolarHBondContact O-N 2.85Å; L146-V149 HydrophobicContact CB-CB 4.11Å; L146-V149 HydrophobicContact CB-CG2 3.63Å; L146-V149 HydrophobicContact CD1-CG2 3.84Å; L146-V149 HydrophobicContact CG-CG2 4.4Å; L146-V149 PolarHBondContact O-N 3.46Å
147	P	93.4	Very high	96.9	Very high	102 Å²	102	50.9 Å²	50.9	66%	0.662	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-17.6	-169.5	27.6	-35.5	0	0	0	114	C145 R150	C145-P147 WeakPolarHBondContact O-CD 3.33Å; P147-R150 VanDerWaalsContact O-CZ 3.3Å; P147-R150 PolarHBondContact O-NH1 3.47Å; P147-R150 PolarHBondContact O-NH2 2.87Å
148	Y	93.5	Very high	96.8	Very high	87 Å²	87	48.6 Å²	48.6	34%	0.341	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-18.1	179.2	52.5	-96.3	0	0	0	113.2	L94 A113 L146	L94-Y148 HydrophobicContact CD1-CD2 4.29Å; L94-Y148 HydrophobicContact CD1-CE2 4.02Å; L94-Y148 HydrophobicContact CD2-CD2 4.3Å; L94-Y148 HydrophobicContact CD2-CE2 4.04Å; A113-Y148 WeakPolarHBondContact CA-O 3.28Å; L146-Y148 HydrophobicContact CB-CE1 4.3Å; L146-Y148 HydrophobicContact CB-CE2 4.34Å; L146-Y148 HydrophobicContact CD1-CE2 4.39Å; L146-Y148 HydrophobicContact CD2-CE1 4.5Å; L146-Y148 PolarHBondContact O-N 2.85Å
149	V	96.8	Very high	96.6	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.012	24%	0.239	C	C	.	.			trans	-79.3	134.1	-179.6	-179	0	0	0	0	110.4	V115 L143 L146 V191	V115-V149 HydrophobicContact CG2-CB 4.39Å; V115-V149 HydrophobicContact CG2-CG1 3.74Å; V115-V149 HydrophobicContact CG2-CG2 3.66Å; L143-V149 HydrophobicContact CB-CG1 4.38Å; L146-V149 HydrophobicContact CB-CB 4.11Å; L146-V149 HydrophobicContact CB-CG2 3.63Å; L146-V149 HydrophobicContact CD1-CG2 3.84Å; L146-V149 HydrophobicContact CG-CG2 4.4Å; L146-V149 PolarHBondContact O-N 3.46Å; V149-V191 HydrophobicContact CG1-CB 4.11Å; V149-V191 HydrophobicContact CG1-CG1 4.15Å; V149-V191 HydrophobicContact CG1-CG2 4.02Å
150	R	96.5	Very high	96.5	Very high	145 Å²	145	52.3 Å²	52.3	55%	0.547	25%	0.253	S	S	.	.			trans	-119.9	-25.9	179.4	-61.4	-69	173.4	-98	-2.8	112.2	A113 P147 V191	A113-R150 HydrophobicContact CB-CB 4.21Å; A113-R150 HydrophobicContact CB-CG 3.83Å; A113-R150 PolarHBondContact O-N 2.76Å; P147-R150 VanDerWaalsContact O-CZ 3.3Å; P147-R150 PolarHBondContact O-NH1 3.47Å; P147-R150 PolarHBondContact O-NH2 2.87Å; R150-V191 PolarHBondContact O-N 3.2Å
151	R	97.5	Very high	96.5	Very high	39 Å²	39	53 Å²	53	15%	0.147	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	159.1	179.1	59.6	-179.9	-171.8	151.8	18	111.7	Q97 E98 A113 T114 V115 F188 Y189	Q97-R151 PolarHBondContact O-NH2 2.81Å; E98-R151 VanDerWaalsContact C-NH2 3.29Å; E98-R151 VanDerWaalsContact CA-NH2 3.26Å; E98-R151 PolarHBondContact O-NH1 3.02Å; E98-R151 PolarHBondContact O-NH2 2.77Å; A113-R151 PolarHBondContact O-N 3.35Å; T114-R151 WeakPolarHBondContact CA-O 3.17Å; T114-R151 HydrophobicContact CG2-CG 3.84Å; T114-R151 WeakPolarHBondContact OG1-CG 3.28Å; T114-R151 PolarHBondContact OG1-NE 3.03Å; T114-R151 PolarHBondContact OG1-NH2 2.71Å; V115-R151 PolarHBondContact N-O 3.33Å; R151-F188 HydrophobicContact CB-CD2 3.98Å; R151-F188 HydrophobicContact CB-CE2 3.42Å; R151-F188 VanDerWaalsContact CB-CE2 3.42Å; R151-F188 HydrophobicContact CB-CZ 4.32Å; R151-F188 HydrophobicContact CG-CD2 4.43Å; R151-F188 HydrophobicContact CG-CE2 4.04Å; R151-Y189 CarbonylContact C-O 3.57Å; R151-Y189 WeakPolarHBondContact CA-O 3.23Å; R151-Y189 WeakPolarHBondContact CB-O 3.36Å
152	A	98.6	Very high	96.6	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	142.3	165.5	0	0	0	0	0	109	V115 I117 L140 L143 F169 Y189 V191	V115-A152 HydrophobicContact CB-CB 4.47Å; V115-A152 CarbonylContact O-C 3.43Å; V115-A152 VanDerWaalsContact O-CA 3.24Å; V115-A152 WeakPolarHBondContact O-CA 3.01Å; I117-A152 HydrophobicContact CD1-CB 4.3Å; L140-A152 HydrophobicContact CD2-CB 4.28Å; L143-A152 HydrophobicContact CD1-CB 3.78Å; A152-F169 HydrophobicContact CB-CE1 4.45Å; A152-F169 HydrophobicContact CB-CZ 4.44Å; A152-Y189 PolarHBondContact N-O 2.89Å; A152-Y189 PolarHBondContact O-N 2.71Å; A152-V191 HydrophobicContact CB-CG2 4.43Å
153	V	98.6	Very high	96.6	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.006	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	151.7	176	-60.6	0	0	0	0	109.6	L100 T114 V115 H116 I117 M187 F188	L100-V153 HydrophobicContact CD1-CG2 4.23Å; L100-V153 HydrophobicContact CD2-CG2 3.76Å; L100-V153 HydrophobicContact CG-CG2 4.07Å; T114-V153 HydrophobicContact CG2-CB 4.21Å; T114-V153 HydrophobicContact CG2-CG1 3.78Å; T114-V153 HydrophobicContact CG2-CG2 3.47Å; T114-V153 VanDerWaalsContact CG2-CG2 3.47Å; V115-V153 PolarHBondContact O-N 3.34Å; H116-V153 WeakPolarHBondContact CA-O 3.5Å; H116-V153 HydrophobicContact CB-CG2 4.27Å; I117-V153 PolarHBondContact N-O 3.35Å; V153-M187 VanDerWaalsContact CA-O 3.23Å; V153-M187 WeakPolarHBondContact CA-O 3.39Å; V153-F188 HydrophobicContact CG1-CD2 4.33Å
154	L	98.6	Very high	96.7	Very high	3 Å²	3	53.4 Å²	53.4	2%	0.016	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	169.2	171.9	60.4	86.3	0	0	0	108.7	I117 M136 C156 Y164 F169 M187	I117-L154 HydrophobicContact CB-CB 4.1Å; I117-L154 HydrophobicContact CD1-CD2 4.26Å; M136-L154 HydrophobicContact CE-CD2 4.34Å; L154-C156 HydrophobicContact CD1-CB 4.07Å; L154-Y164 HydrophobicContact CD1-CD1 4.1Å; L154-Y164 HydrophobicContact CD1-CD2 3.92Å; L154-Y164 HydrophobicContact CD1-CE1 4.03Å; L154-Y164 HydrophobicContact CD1-CE2 3.86Å; L154-Y164 HydrophobicContact CD1-CG 4.03Å; L154-Y164 HydrophobicContact CD2-CD1 3.47Å; L154-Y164 VanDerWaalsContact CD2-CD1 3.47Å; L154-Y164 HydrophobicContact CD2-CE1 3.3Å; L154-Y164 HydrophobicContact CD2-CG 4.2Å; L154-Y164 HydrophobicContact CG-CD1 4.42Å; L154-Y164 HydrophobicContact CG-CE1 4.33Å; L154-F169 HydrophobicContact CD2-CD1 4.16Å; L154-F169 HydrophobicContact CD2-CE1 3.59Å; L154-F169 HydrophobicContact CD2-CE2 4.22Å; L154-F169 HydrophobicContact CD2-CZ 3.63Å; L154-F169 HydrophobicContact CG-CD1 4.27Å; L154-F169 HydrophobicContact CG-CE1 3.93Å; L154-F169 HydrophobicContact CG-CZ 4.46Å; L154-M187 HydrophobicContact CD1-CB 3.66Å; L154-M187 HydrophobicContact CD1-CG 3.79Å; L154-M187 HydrophobicContact CG-CB 4Å; L154-M187 PolarHBondContact N-O 2.99Å; L154-M187 VanDerWaalsContact N-O 3.08Å; L154-M187 PolarHBondContact O-N 3Å
155	M	97.6	Very high	96.8	Very high	36 Å²	36	56.1 Å²	56.1	18%	0.177	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	143.6	168	67.4	-178.6	-176.8	0	0	109.4	L100 L105 A175 I177 V179 F184 I185	L100-M155 HydrophobicContact CD1-CB 4.4Å; L105-M155 HydrophobicContact CD2-CE 3.6Å; M155-A175 HydrophobicContact CB-CB 4.38Å; M155-I177 HydrophobicContact CE-CG2 3.85Å; M155-I177 HydrophobicContact SD-CB 3.86Å; M155-I177 HydrophobicContact SD-CD1 3.99Å; M155-I177 HydrophobicContact SD-CG2 3.8Å; M155-V179 HydrophobicContact CE-CG2 4.39Å; M155-F184 HydrophobicContact CB-CB 3.77Å; M155-F184 HydrophobicContact CB-CG 4.34Å; M155-F184 HydrophobicContact CE-CD2 4.37Å; M155-F184 HydrophobicContact CE-CE2 4.37Å; M155-F184 HydrophobicContact CG-CB 4.11Å; M155-F184 HydrophobicContact CG-CD1 4.41Å; M155-F184 HydrophobicContact CG-CG 4.13Å; M155-F184 HydrophobicContact SD-CB 4.28Å; M155-F184 HydrophobicContact SD-CD2 4Å; M155-F184 HydrophobicContact SD-CG 4.12Å; M155-I185 WeakPolarHBondContact CA-O 3.48Å
156	C	96.9	Very high	96.9	Very high	5 Å²	5	60.3 Å²	60.3	3%	0.034	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	156	179.7	67.4	0	0	0	0	111.8	L154 L160 Y164 F184 I185	L154-C156 HydrophobicContact CD1-CB 4.07Å; C156-L160 HydrophobicContact CB-CB 3.99Å; C156-L160 HydrophobicContact CB-CD1 4.36Å; C156-Y164 HydrophobicContact CB-CD2 3.88Å; C156-Y164 HydrophobicContact CB-CE2 3.45Å; C156-Y164 VanDerWaalsContact CB-CE2 3.45Å; C156-Y164 VanDerWaalsContact SG-CD2 3.54Å; C156-F184 CarbonylContact O-C 3.56Å; C156-F184 WeakPolarHBondContact O-CA 3.26Å; C156-I185 PolarHBondContact N-O 3.3Å; C156-I185 PolarHBondContact O-N 3.17Å
157	E	95	Very high	97	Very high	67 Å²	67	60.6 Å²	60.6	31%	0.313	29%	0.291	S	S	.	.			trans	-63.9	155.2	170.8	-65.3	177.6	-95.2	0	0	111.3	F159 L160 F184	E157-F159 VanDerWaalsContact C-N 3.26Å; E157-F159 HydrophobicContact CB-CD1 3.79Å; E157-F159 HydrophobicContact CB-CE1 3.59Å; E157-F159 HydrophobicContact CG-CE1 4.25Å; E157-F159 PolarHBondContact O-N 3.44Å; E157-F159 VanDerWaalsContact O-N 3.12Å; E157-L160 PolarHBondContact O-N 3.22Å; E157-F184 HydrophobicContact CG-CD1 4.22Å; E157-F184 HydrophobicContact CG-CE1 4.13Å
158	D	95.6	Very high	97.2	Very high	114 Å²	114	57.5 Å²	57.5	61%	0.61	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-52.3	-40.3	-172.3	-70.8	-28.5	0	0	0	113.7	L160 V161 I185	D158-L160 PolarHBondContact O-N 2.79Å; D158-V161 WeakPolarHBondContact O-CB 3.47Å; D158-V161 WeakPolarHBondContact O-CG2 3.5Å; D158-V161 PolarHBondContact O-N 3.2Å; D158-V161 VanDerWaalsContact O-N 3.15Å; D158-I185 WeakPolarHBondContact OD1-CD1 3.42Å; D158-I185 WeakPolarHBondContact OD1-CG1 3.39Å
159	F	95.4	Very high	97.4	Very high	141 Å²	141	53.6 Å²	53.6	62%	0.618	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-68.4	-17.6	-177.4	73.8	-91.7	0	0	0	113.6	E157	E157-F159 VanDerWaalsContact C-N 3.26Å; E157-F159 HydrophobicContact CB-CD1 3.79Å; E157-F159 HydrophobicContact CB-CE1 3.59Å; E157-F159 HydrophobicContact CG-CE1 4.25Å; E157-F159 PolarHBondContact O-N 3.44Å; E157-F159 VanDerWaalsContact O-N 3.12Å
160	L	96.9	Very high	97.5	Very high	53 Å²	53	59.9 Å²	59.9	28%	0.277	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-91.1	-12.4	176.1	-69	175.6	0	0	0	113.2	C156 E157 D158 P162 F163 Y164	C156-L160 HydrophobicContact CB-CB 3.99Å; C156-L160 HydrophobicContact CB-CD1 4.36Å; E157-L160 PolarHBondContact O-N 3.22Å; D158-L160 PolarHBondContact O-N 2.79Å; L160-P162 VanDerWaalsContact C-CD 3.49Å; L160-P162 VanDerWaalsContact C-N 3.33Å; L160-F163 WeakPolarHBondContact O-CB 3.28Å; L160-F163 PolarHBondContact O-N 3.05Å; L160-Y164 HydrophobicContact CB-CD2 4.16Å; L160-Y164 HydrophobicContact CB-CE2 3.91Å; L160-Y164 HydrophobicContact CD1-CE2 4.46Å; L160-Y164 VanDerWaalsContact O-CD2 3.32Å; L160-Y164 WeakPolarHBondContact O-CD2 3.28Å; L160-Y164 PolarHBondContact O-N 3.28Å
161	V	98.1	Very high	97.5	Very high	20 Å²	20	55.3 Å²	55.3	12%	0.121	28%	0.283	C	S	.	.	H	α-helix	trans	-51.9	-45.7	178.1	172.9	0	0	0	0	112	D158 F163 Y164 Q165 I185 M187	D158-V161 WeakPolarHBondContact O-CB 3.47Å; D158-V161 WeakPolarHBondContact O-CG2 3.5Å; D158-V161 PolarHBondContact O-N 3.2Å; D158-V161 VanDerWaalsContact O-N 3.15Å; V161-F163 VanDerWaalsContact C-N 3.28Å; V161-F163 PolarHBondContact O-N 3.43Å; V161-Y164 PolarHBondContact O-N 3.41Å; V161-Q165 HydrophobicContact CG1-CG 4.16Å; V161-Q165 WeakPolarHBondContact O-CB 3.5Å; V161-Q165 WeakPolarHBondContact O-CG 3.38Å; V161-Q165 PolarHBondContact O-N 3.34Å; V161-I185 HydrophobicContact CG2-CB 3.96Å; V161-I185 HydrophobicContact CG2-CG1 4.06Å; V161-I185 HydrophobicContact CG2-CG2 4.17Å; V161-M187 HydrophobicContact CG1-CE 3.92Å; V161-M187 HydrophobicContact CG1-SD 4.18Å; V161-M187 HydrophobicContact CG2-SD 4.2Å
162	P	98.3	Very high	97.5	Very high	65 Å²	65	56.8 Å²	56.8	42%	0.422	29%	0.293	S	S	.	.	H	α-helix	trans	-62.3	-31.5	177.4	-23.7	35.3	0	0	0	114	L160 K166	L160-P162 VanDerWaalsContact C-CD 3.49Å; L160-P162 VanDerWaalsContact C-N 3.33Å; P162-K166 VanDerWaalsContact O-CG 3.31Å; P162-K166 WeakPolarHBondContact O-CG 3.35Å; P162-K166 PolarHBondContact O-N 3.03Å; P162-K166 VanDerWaalsContact O-N 3.15Å
163	F	97.9	Very high	97.3	Very high	57 Å²	57	57.8 Å²	57.8	25%	0.25	30%	0.303	C	S	.	.	H	α-helix	trans	-66.3	-46.9	176.7	166.4	-94	0	0	0	111	L120 S133 L160 V161 K166 S167	L120-F163 HydrophobicContact CD2-CE1 3.82Å; L120-F163 HydrophobicContact CD2-CZ 4Å; S133-F163 WeakPolarHBondContact OG-CE2 3.5Å; L160-F163 WeakPolarHBondContact O-CB 3.28Å; L160-F163 PolarHBondContact O-N 3.05Å; V161-F163 VanDerWaalsContact C-N 3.28Å; V161-F163 PolarHBondContact O-N 3.43Å; F163-K166 PolarHBondContact O-N 2.84Å; F163-S167 PolarHBondContact O-N 3.08Å; F163-S167 PolarHBondContact O-OG 2.89Å
164	Y	98.5	Very high	97.2	Very high	19 Å²	19	62.6 Å²	62.6	8%	0.075	34%	0.335	C	S	.	.	H	α-helix	trans	-72.1	-33.8	179.3	-68.1	-69	0	0	0	112.5	L120 M136 L154 C156 L160 V161 K166 S167 G168 F169	L120-Y164 HydrophobicContact CD2-CE1 4.33Å; M136-Y164 HydrophobicContact CE-CD1 4.28Å; M136-Y164 HydrophobicContact CE-CE1 3.81Å; L154-Y164 HydrophobicContact CD1-CD1 4.1Å; L154-Y164 HydrophobicContact CD1-CD2 3.92Å; L154-Y164 HydrophobicContact CD1-CE1 4.03Å; L154-Y164 HydrophobicContact CD1-CE2 3.86Å; L154-Y164 HydrophobicContact CD1-CG 4.03Å; L154-Y164 HydrophobicContact CD2-CD1 3.47Å; L154-Y164 VanDerWaalsContact CD2-CD1 3.47Å; L154-Y164 HydrophobicContact CD2-CE1 3.3Å; L154-Y164 HydrophobicContact CD2-CG 4.2Å; L154-Y164 HydrophobicContact CG-CD1 4.42Å; L154-Y164 HydrophobicContact CG-CE1 4.33Å; C156-Y164 HydrophobicContact CB-CD2 3.88Å; C156-Y164 HydrophobicContact CB-CE2 3.45Å; C156-Y164 VanDerWaalsContact CB-CE2 3.45Å; C156-Y164 VanDerWaalsContact SG-CD2 3.54Å; L160-Y164 HydrophobicContact CB-CD2 4.16Å; L160-Y164 HydrophobicContact CB-CE2 3.91Å; L160-Y164 HydrophobicContact CD1-CE2 4.46Å; L160-Y164 VanDerWaalsContact O-CD2 3.32Å; L160-Y164 WeakPolarHBondContact O-CD2 3.28Å; L160-Y164 PolarHBondContact O-N 3.28Å; V161-Y164 PolarHBondContact O-N 3.41Å; Y164-K166 VanDerWaalsContact C-N 3.34Å; Y164-K166 PolarHBondContact O-N 3.28Å; Y164-S167 CarbonylContact O-C 3.32Å; Y164-S167 WeakPolarHBondContact O-CA 3.31Å; Y164-S167 WeakPolarHBondContact O-CB 3.45Å; Y164-S167 PolarHBondContact O-N 2.84Å; Y164-G168 PolarHBondContact O-N 2.95Å; Y164-F169 HydrophobicContact CD1-CD2 4.36Å; Y164-F169 HydrophobicContact CD1-CE2 4.45Å; Y164-F169 WeakPolarHBondContact O-CB 3.48Å; Y164-F169 PolarHBondContact O-N 2.72Å
165	Q	98.4	Very high	97.1	Very high	100 Å²	100	63.3 Å²	63.3	47%	0.467	34%	0.341	S	S	.	.	H	α-helix	trans	-59.7	-42.1	171.9	-75.8	178.2	-24.7	0	0	112.4	V161 S167 G168 F169 M187	V161-Q165 HydrophobicContact CG1-CG 4.16Å; V161-Q165 WeakPolarHBondContact O-CB 3.5Å; V161-Q165 WeakPolarHBondContact O-CG 3.38Å; V161-Q165 PolarHBondContact O-N 3.34Å; Q165-S167 PolarHBondContact O-N 2.92Å; Q165-G168 WeakPolarHBondContact O-CA 3.21Å; Q165-G168 PolarHBondContact O-N 3.44Å; Q165-F169 WeakPolarHBondContact CA-O 3.47Å; Q165-M187 HydrophobicContact CG-CE 4Å
166	K	97.8	Very high	96.8	Very high	189 Å²	189	68 Å²	68	82%	0.822	36%	0.363	S	S	*	.	H	α-helix	trans	-61.5	-28.5	173.3	-73.4	172.2	-176.5	178.5	0	112.8	P162 F163 Y164	P162-K166 VanDerWaalsContact O-CG 3.31Å; P162-K166 WeakPolarHBondContact O-CG 3.35Å; P162-K166 PolarHBondContact O-N 3.03Å; P162-K166 VanDerWaalsContact O-N 3.15Å; F163-K166 PolarHBondContact O-N 2.84Å; Y164-K166 VanDerWaalsContact C-N 3.34Å; Y164-K166 PolarHBondContact O-N 3.28Å
167	S	96.6	Very high	96.5	Very high	28 Å²	28	67.9 Å²	67.9	20%	0.196	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-2.7	173.9	-55.5	0	0	0	0	113.3	F163 Y164 Q165	F163-S167 PolarHBondContact O-N 3.08Å; F163-S167 PolarHBondContact O-OG 2.89Å; Y164-S167 CarbonylContact O-C 3.32Å; Y164-S167 WeakPolarHBondContact O-CA 3.31Å; Y164-S167 WeakPolarHBondContact O-CB 3.45Å; Y164-S167 PolarHBondContact O-N 2.84Å; Q165-S167 PolarHBondContact O-N 2.92Å
168	G	97.3	Very high	95.9	Very high	36 Å²	36	68.4 Å²	68.4	37%	0.371	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.7	5	177	0	0	0	0	0	115.1	Y164 Q165 Y189	Y164-G168 PolarHBondContact O-N 2.95Å; Q165-G168 WeakPolarHBondContact O-CA 3.21Å; Q165-G168 PolarHBondContact O-N 3.44Å; G168-Y189 WeakPolarHBondContact O-CD2 3.26Å
169	F	98.5	Very high	95.4	Very high	5 Å²	5	64.6 Å²	64.6	2%	0.022	35%	0.35	C	S	.	.			trans	-72.3	156	173.4	-73	-105.4	0	0	0	111.3	I117 M136 L140 A152 L154 Y164 Q165 M187 F188 Y189	I117-F169 HydrophobicContact CD1-CZ 4.04Å; M136-F169 HydrophobicContact CE-CE2 4.49Å; M136-F169 HydrophobicContact SD-CE2 3.77Å; M136-F169 HydrophobicContact SD-CZ 4.15Å; L140-F169 HydrophobicContact CD1-CE2 4.01Å; L140-F169 HydrophobicContact CD2-CE2 4.17Å; L140-F169 HydrophobicContact CD2-CZ 4.09Å; A152-F169 HydrophobicContact CB-CE1 4.45Å; A152-F169 HydrophobicContact CB-CZ 4.44Å; L154-F169 HydrophobicContact CD2-CD1 4.16Å; L154-F169 HydrophobicContact CD2-CE1 3.59Å; L154-F169 HydrophobicContact CD2-CE2 4.22Å; L154-F169 HydrophobicContact CD2-CZ 3.63Å; L154-F169 HydrophobicContact CG-CD1 4.27Å; L154-F169 HydrophobicContact CG-CE1 3.93Å; L154-F169 HydrophobicContact CG-CZ 4.46Å; Y164-F169 HydrophobicContact CD1-CD2 4.36Å; Y164-F169 HydrophobicContact CD1-CE2 4.45Å; Y164-F169 WeakPolarHBondContact O-CB 3.48Å; Y164-F169 PolarHBondContact O-N 2.72Å; Q165-F169 WeakPolarHBondContact CA-O 3.47Å; F169-M187 HydrophobicContact CB-CB 4.19Å; F169-M187 HydrophobicContact CB-CE 3.99Å; F169-M187 HydrophobicContact CD1-CB 3.9Å; F169-M187 HydrophobicContact CG-CB 4.4Å; F169-F188 CarbonylContact C-O 3.48Å; F169-F188 VanDerWaalsContact CA-O 3.31Å; F169-F188 WeakPolarHBondContact CA-O 3.48Å; F169-Y189 HydrophobicContact CD2-CD2 4.21Å; F169-Y189 HydrophobicContact CE2-CD2 4.38Å; F169-Y189 HydrophobicContact CE2-CG 4.46Å
170	K	98.3	Very high	95	Very high	134 Å²	134	60.2 Å²	60.2	58%	0.583	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.7	139.8	173.3	-60.8	-177.8	179.4	-174.4	0	109.2	M187 F188	K170-M187 CarbonylContact O-C 3.49Å; K170-M187 WeakPolarHBondContact O-CA 3.39Å; K170-F188 PolarHBondContact N-O 3.11Å; K170-F188 PolarHBondContact O-N 3.3Å
171	A	98	Very high	94.4	Very high	50 Å²	50	63 Å²	63	41%	0.413	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	133.2	173.3	0	0	0	0	0	110.3	I185 M187	A171-I185 HydrophobicContact CB-CG2 3.86Å; A171-M187 VanDerWaalsContact CA-SD 3.53Å; A171-M187 HydrophobicContact CB-CE 4.46Å; A171-M187 HydrophobicContact CB-SD 3.76Å
172	L	96.4	Very high	94	Very high	69 Å²	69	63.5 Å²	63.5	36%	0.361	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	-13.5	170.4	-64.1	-176.4	0	0	0	112.4	R99 E186 F188	R99-L172 PolarHBondContact NH1-O 3.5Å; L172-E186 HydrophobicContact CB-CB 4.36Å; L172-E186 HydrophobicContact CD1-CG 4.21Å; L172-E186 PolarHBondContact N-O 2.89Å; L172-F188 HydrophobicContact CD1-CB 3.75Å; L172-F188 HydrophobicContact CD2-CB 3.88Å; L172-F188 HydrophobicContact CD2-CG 4.44Å; L172-F188 HydrophobicContact CG-CB 3.73Å
173	G	95.4	Very high	93.6	Very high	21 Å²	21	66.1 Å²	66.1	22%	0.216	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	112.9	-169.5	-176.3	0	0	0	0	0	112	A175 I185 E186	G173-A175 PolarHBondContact O-N 2.99Å; G173-I185 WeakPolarHBondContact O-CA 3.21Å; G173-E186 PolarHBondContact O-N 3.33Å
174	P	96.6	Very high	93.6	Very high	103 Å²	103	64.7 Å²	64.7	67%	0.669	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54.7	138.2	178.3	-24.7	34.8	0	0	0	111.8	R99	R99-P174 PolarHBondContact NH2-O 3.27Å
175	A	94.6	Very high	93.5	Very high	17 Å²	17	65.1 Å²	65.1	14%	0.14	38%	0.375	C	S	.	.			trans	-75.7	148.6	170.3	0	0	0	0	0	109.9	M155 G173 I177 F184 E186	M155-A175 HydrophobicContact CB-CB 4.38Å; G173-A175 PolarHBondContact O-N 2.99Å; A175-I177 PolarHBondContact O-N 3.34Å; A175-F184 HydrophobicContact CB-CB 4.15Å; A175-F184 PolarHBondContact N-O 2.96Å; A175-E186 HydrophobicContact CB-CB 4.29Å
176	E	91.4	Very high	93.5	Very high	136 Å²	136	60.4 Å²	60.4	64%	0.636	35%	0.353	S	S	*	.	S	Bend	trans	-76.4	-12.5	172.3	-65.6	-179.2	-172.4	0	0	112.2
177	I	90.8	Very high	93.6	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.005	31%	0.314	C	S	.	.			trans	-86.1	132.8	-179.9	-61.4	173.5	0	0	0	109.9	L100 T101 M102 L105 M155 A175 V179	L100-I177 HydrophobicContact CB-CD1 3.68Å; T101-I177 WeakPolarHBondContact O-CD1 3.5Å; M102-I177 HydrophobicContact SD-CB 4.28Å; M102-I177 HydrophobicContact SD-CG1 4.31Å; M102-I177 HydrophobicContact SD-CG2 3.79Å; L105-I177 HydrophobicContact CD1-CG2 3.87Å; L105-I177 HydrophobicContact CD2-CD1 4.05Å; L105-I177 HydrophobicContact CD2-CG2 4.22Å; L105-I177 HydrophobicContact CG-CD1 4.25Å; L105-I177 HydrophobicContact CG-CG2 4.32Å; M155-I177 HydrophobicContact CE-CG2 3.85Å; M155-I177 HydrophobicContact SD-CB 3.86Å; M155-I177 HydrophobicContact SD-CD1 3.99Å; M155-I177 HydrophobicContact SD-CG2 3.8Å; A175-I177 PolarHBondContact O-N 3.34Å; I177-V179 HydrophobicContact CG2-CG2 4.19Å
178	T	84.1	Confident	93.6	Very high	79 Å²	79	52.4 Å²	52.4	49%	0.485	32%	0.315	S	S	.	.			trans	-123.5	132.9	169.7	55	0	0	0	0	109.4
179	V	85.1	Confident	93.7	Very high	33 Å²	33	52.2 Å²	52.2	20%	0.2	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-118.1	108.3	175.7	-178.6	0	0	0	0	107.7	E58 L105 M155 I177 L182 F184	E58-V179 HydrophobicContact CB-CG1 4.06Å; E58-V179 HydrophobicContact CG-CG1 4.16Å; L105-V179 HydrophobicContact CD1-CG2 4.4Å; M155-V179 HydrophobicContact CE-CG2 4.39Å; I177-V179 HydrophobicContact CG2-CG2 4.19Å; V179-L182 VanDerWaalsContact O-CB 3.3Å; V179-L182 WeakPolarHBondContact O-CB 3.26Å; V179-L182 PolarHBondContact O-N 3.04Å; V179-F184 HydrophobicContact CB-CE2 4.01Å; V179-F184 HydrophobicContact CB-CZ 4.25Å; V179-F184 HydrophobicContact CG2-CE2 4.03Å; V179-F184 HydrophobicContact CG2-CZ 4.45Å
180	G	85.6	Confident	93.6	Very high	50 Å²	50	54 Å²	54	52%	0.515	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	-129.5	-169	0	0	0	0	0	111.1	L182	G180-L182 VanDerWaalsContact C-N 3.32Å
181	P	85.8	Confident	93.5	Very high	110 Å²	110	48 Å²	48	71%	0.714	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	2.5	177.7	35.9	-35.5	0	0	0	114.1
182	L	88	Confident	92.7	Very high	32 Å²	32	54.6 Å²	54.6	17%	0.168	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-82.8	138	-172.1	-57.2	174.5	0	0	0	111.8	E58 V179 G180 F184	E58-L182 HydrophobicContact CB-CD1 4.34Å; V179-L182 VanDerWaalsContact O-CB 3.3Å; V179-L182 WeakPolarHBondContact O-CB 3.26Å; V179-L182 PolarHBondContact O-N 3.04Å; G180-L182 VanDerWaalsContact C-N 3.32Å; L182-F184 HydrophobicContact CB-CE1 4.22Å; L182-F184 HydrophobicContact CB-CE2 3.77Å; L182-F184 HydrophobicContact CB-CZ 3.49Å; L182-F184 VanDerWaalsContact CB-CZ 3.49Å; L182-F184 HydrophobicContact CD1-CZ 3.93Å; L182-F184 HydrophobicContact CG-CZ 4.38Å
183	N	91.5	Very high	91.2	Very high	120 Å²	120	53 Å²	53	64%	0.642	31%	0.305	S	S	*	.			trans	-111.6	142.5	173.2	-64.3	-76.4	0	0	0	109.5
184	F	96.3	Very high	89.4	Confident	27 Å²	27	58.2 Å²	58.2	12%	0.118	32%	0.324	C	S	.	.			trans	-128.6	151	-176	-52.6	-84	0	0	0	111.5	M155 C156 E157 A175 V179 L182	M155-F184 HydrophobicContact CB-CB 3.77Å; M155-F184 HydrophobicContact CB-CG 4.34Å; M155-F184 HydrophobicContact CE-CD2 4.37Å; M155-F184 HydrophobicContact CE-CE2 4.37Å; M155-F184 HydrophobicContact CG-CB 4.11Å; M155-F184 HydrophobicContact CG-CD1 4.41Å; M155-F184 HydrophobicContact CG-CG 4.13Å; M155-F184 HydrophobicContact SD-CB 4.28Å; M155-F184 HydrophobicContact SD-CD2 4Å; M155-F184 HydrophobicContact SD-CG 4.12Å; C156-F184 CarbonylContact O-C 3.56Å; C156-F184 WeakPolarHBondContact O-CA 3.26Å; E157-F184 HydrophobicContact CG-CD1 4.22Å; E157-F184 HydrophobicContact CG-CE1 4.13Å; A175-F184 HydrophobicContact CB-CB 4.15Å; A175-F184 PolarHBondContact N-O 2.96Å; V179-F184 HydrophobicContact CB-CE2 4.01Å; V179-F184 HydrophobicContact CB-CZ 4.25Å; V179-F184 HydrophobicContact CG2-CE2 4.03Å; V179-F184 HydrophobicContact CG2-CZ 4.45Å; L182-F184 HydrophobicContact CB-CE1 4.22Å; L182-F184 HydrophobicContact CB-CE2 3.77Å; L182-F184 HydrophobicContact CB-CZ 3.49Å; L182-F184 VanDerWaalsContact CB-CZ 3.49Å; L182-F184 HydrophobicContact CD1-CZ 3.93Å; L182-F184 HydrophobicContact CG-CZ 4.38Å
185	I	97.9	Very high	87.2	Confident	27 Å²	27	57.4 Å²	57.4	14%	0.138	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	127.2	165.9	-57.9	-57.9	0	0	0	107.8	M155 C156 D158 V161 A171 G173 M187	M155-I185 WeakPolarHBondContact CA-O 3.48Å; C156-I185 PolarHBondContact N-O 3.3Å; C156-I185 PolarHBondContact O-N 3.17Å; D158-I185 WeakPolarHBondContact OD1-CD1 3.42Å; D158-I185 WeakPolarHBondContact OD1-CG1 3.39Å; V161-I185 HydrophobicContact CG2-CB 3.96Å; V161-I185 HydrophobicContact CG2-CG1 4.06Å; V161-I185 HydrophobicContact CG2-CG2 4.17Å; A171-I185 HydrophobicContact CB-CG2 3.86Å; G173-I185 WeakPolarHBondContact O-CA 3.21Å; I185-M187 HydrophobicContact CG2-SD 3.83Å
186	E	98.4	Very high	84.9	Confident	1 Å²	1	65.6 Å²	65.6	1%	0.005	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	130.9	172.6	-166.4	176.9	148.6	0	0	109.5	R99 L100 L172 G173 A175	R99-E186 WeakPolarHBondContact CA-OE1 3.48Å; R99-E186 IonicContact CZ-OE2 2.71Å; R99-E186 VanDerWaalsContact CZ-OE2 3.23Å; R99-E186 VanDerWaalsContact NE-CD 3.32Å; R99-E186 IonicContact NE-OE1 3.23Å; R99-E186 PolarHBondContact NE-OE1 2.8Å; R99-E186 IonicContact NE-OE2 3.72Å; R99-E186 PolarHBondContact NE-OE2 3.22Å; R99-E186 IonicContact NH2-OE2 3.03Å; R99-E186 PolarHBondContact NH2-OE2 2.86Å; L100-E186 HydrophobicContact CD1-CG 4.24Å; L100-E186 HydrophobicContact CG-CG 4.45Å; L100-E186 PolarHBondContact N-OE1 3.25Å; L100-E186 PolarHBondContact N-OE2 3.44Å; L172-E186 HydrophobicContact CB-CB 4.36Å; L172-E186 HydrophobicContact CD1-CG 4.21Å; L172-E186 PolarHBondContact N-O 2.89Å; G173-E186 PolarHBondContact O-N 3.33Å; A175-E186 HydrophobicContact CB-CB 4.29Å
187	M	98.5	Very high	82.7	Confident	0 Å²	0	67 Å²	67	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	138.2	-175.3	-59.3	-64.6	-74.4	0	0	109.5	V153 L154 V161 Q165 F169 K170 A171 I185	V153-M187 VanDerWaalsContact CA-O 3.23Å; V153-M187 WeakPolarHBondContact CA-O 3.39Å; L154-M187 HydrophobicContact CD1-CB 3.66Å; L154-M187 HydrophobicContact CD1-CG 3.79Å; L154-M187 HydrophobicContact CG-CB 4Å; L154-M187 PolarHBondContact N-O 2.99Å; L154-M187 VanDerWaalsContact N-O 3.08Å; L154-M187 PolarHBondContact O-N 3Å; V161-M187 HydrophobicContact CG1-CE 3.92Å; V161-M187 HydrophobicContact CG1-SD 4.18Å; V161-M187 HydrophobicContact CG2-SD 4.2Å; Q165-M187 HydrophobicContact CG-CE 4Å; F169-M187 HydrophobicContact CB-CB 4.19Å; F169-M187 HydrophobicContact CB-CE 3.99Å; F169-M187 HydrophobicContact CD1-CB 3.9Å; F169-M187 HydrophobicContact CG-CB 4.4Å; K170-M187 CarbonylContact O-C 3.49Å; K170-M187 WeakPolarHBondContact O-CA 3.39Å; A171-M187 VanDerWaalsContact CA-SD 3.53Å; A171-M187 HydrophobicContact CB-CE 4.46Å; A171-M187 HydrophobicContact CB-SD 3.76Å; I185-M187 HydrophobicContact CG2-SD 3.83Å
188	F	97.6	Very high	80.7	Confident	49 Å²	49	77.7 Å²	77.7	22%	0.215	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	137.4	-176.7	160.3	-92.1	0	0	0	112.2	R151 V153 F169 K170 L172 P190	R151-F188 HydrophobicContact CB-CD2 3.98Å; R151-F188 HydrophobicContact CB-CE2 3.42Å; R151-F188 VanDerWaalsContact CB-CE2 3.42Å; R151-F188 HydrophobicContact CB-CZ 4.32Å; R151-F188 HydrophobicContact CG-CD2 4.43Å; R151-F188 HydrophobicContact CG-CE2 4.04Å; V153-F188 HydrophobicContact CG1-CD2 4.33Å; F169-F188 CarbonylContact C-O 3.48Å; F169-F188 VanDerWaalsContact CA-O 3.31Å; F169-F188 WeakPolarHBondContact CA-O 3.48Å; K170-F188 PolarHBondContact N-O 3.11Å; K170-F188 PolarHBondContact O-N 3.3Å; L172-F188 HydrophobicContact CD1-CB 3.75Å; L172-F188 HydrophobicContact CD2-CB 3.88Å; L172-F188 HydrophobicContact CD2-CG 4.44Å; L172-F188 HydrophobicContact CG-CB 3.73Å; F188-P190 HydrophobicContact CE1-CB 4.03Å; F188-P190 HydrophobicContact CE1-CG 4.14Å; F188-P190 HydrophobicContact CZ-CB 3.84Å; F188-P190 HydrophobicContact CZ-CG 4.44Å
189	Y	98.3	Very high	79.3	Confident	32 Å²	32	84.7 Å²	84.7	13%	0.125	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	121.3	173	-177.5	-86.2	0	0	0	110.9	L140 R151 A152 G168 F169 V191	L140-Y189 HydrophobicContact CB-CE1 4.46Å; L140-Y189 HydrophobicContact CD1-CD2 4.05Å; L140-Y189 HydrophobicContact CD1-CE1 4.39Å; L140-Y189 HydrophobicContact CD1-CE2 3.84Å; L140-Y189 HydrophobicContact CD1-CG 4.42Å; L140-Y189 HydrophobicContact CD2-CD1 3.78Å; L140-Y189 HydrophobicContact CD2-CD2 4.48Å; L140-Y189 HydrophobicContact CD2-CE1 4.04Å; L140-Y189 HydrophobicContact CD2-CG 4.03Å; R151-Y189 CarbonylContact C-O 3.57Å; R151-Y189 WeakPolarHBondContact CA-O 3.23Å; R151-Y189 WeakPolarHBondContact CB-O 3.36Å; A152-Y189 PolarHBondContact N-O 2.89Å; A152-Y189 PolarHBondContact O-N 2.71Å; G168-Y189 WeakPolarHBondContact O-CD2 3.26Å; F169-Y189 HydrophobicContact CD2-CD2 4.21Å; F169-Y189 HydrophobicContact CE2-CD2 4.38Å; F169-Y189 HydrophobicContact CE2-CG 4.46Å; Y189-V191 HydrophobicContact CD1-CG2 3.9Å; Y189-V191 HydrophobicContact CE1-CG2 4.22Å; Y189-V191 PolarHBondContact O-N 3.08Å
190	P	97.3	Very high	77.4	Confident	44 Å²	44	90.5 Å²	90.5	29%	0.286	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	121.3	175.3	29.5	-31.9	0	0	0	111	F188 R192	F188-P190 HydrophobicContact CE1-CB 4.03Å; F188-P190 HydrophobicContact CE1-CG 4.14Å; F188-P190 HydrophobicContact CZ-CB 3.84Å; F188-P190 HydrophobicContact CZ-CG 4.44Å; P190-R192 PolarHBondContact O-N 3.27Å
191	V	94.9	Very high	76	Confident	8 Å²	8	93.2 Å²	93.2	5%	0.048	47%	0.466	C	S	.	.			trans	-92.7	100	175.8	179.9	0	0	0	0	108.3	L143 R144 V149 R150 A152 Y189	L143-V191 HydrophobicContact CB-CG1 4.17Å; L143-V191 HydrophobicContact CB-CG2 4.21Å; L143-V191 HydrophobicContact CD1-CG2 4.38Å; R144-V191 HydrophobicContact CB-CG1 4.41Å; R144-V191 HydrophobicContact CG-CG1 3.99Å; V149-V191 HydrophobicContact CG1-CB 4.11Å; V149-V191 HydrophobicContact CG1-CG1 4.15Å; V149-V191 HydrophobicContact CG1-CG2 4.02Å; R150-V191 PolarHBondContact O-N 3.2Å; A152-V191 HydrophobicContact CB-CG2 4.43Å; Y189-V191 HydrophobicContact CD1-CG2 3.9Å; Y189-V191 HydrophobicContact CE1-CG2 4.22Å; Y189-V191 PolarHBondContact O-N 3.08Å
192	R	82.5	Confident	74.4	Confident	187 Å²	187	91.6 Å²	91.6	71%	0.706	47%	0.469	S	S	*	.			trans	-87	113.1	173.9	-63.2	-177.6	-179.1	178.7	-0.9	109.1	R144 P190 H194	R144-R192 PolarHBondContact NH1-O 2.83Å; R144-R192 PolarHBondContact NH2-O 3.25Å; P190-R192 PolarHBondContact O-N 3.27Å; R192-H194 PolarHBondContact O-N 3.18Å
193	G	64.9	Low	72.1	Confident	37 Å²	37	100.2 Å²	100.2	38%	0.381	53%	0.53	S	S	.	.			trans	-62.7	132.9	175.5	0	0	0	0	0	111.5	A195	G193-A195 VanDerWaalsContact C-N 3.34Å
194	H	56.3	Low	71.1	Confident	129 Å²	129	99.3 Å²	99.3	60%	0.597	52%	0.524	S	S	*	.	S	Bend	trans	-77.2	-21.3	171.6	-87.8	-64.8	0	0	0	112.9	R144 R192	R144-H194 PolarHBondContact NE-CD2 2.97Å; R144-H194 PolarHBondContact NE-NE2 2.82Å; R144-H194 PolarHBondContact NH2-CD2 3.02Å; R144-H194 PolarHBondContact NH2-CE1 3.31Å; R144-H194 VanDerWaalsContact NH2-CE1 3.29Å; R144-H194 PolarHBondContact NH2-NE2 3.44Å; R192-H194 PolarHBondContact O-N 3.18Å
195	A	51.9	Low	69.8	Low	87 Å²	87	103.1 Å²	103.1	72%	0.719	55%	0.546	S	S	*	.	S	Bend	trans	-82.3	-24.1	-167.1	0	0	0	0	0	115	G193	G193-A195 VanDerWaalsContact C-N 3.34Å
196	F	45	Very low	68.2	Low	189 Å²	189	107.3 Å²	107.3	83%	0.829	57%	0.568	S	S	*	*	S	Bend	trans	-87.1	-19.4	-174.5	-151.1	-96.9	0	0	0	113.9	R198	F196-R198 PolarHBondContact O-N 2.98Å
197	M	45.7	Very low	66.4	Low	165 Å²	165	113.5 Å²	113.5	81%	0.813	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	-8.2	-175.7	-68.7	-103.8	-72.3	0	0	114.1
198	R	49.3	Very low	64.4	Low	225 Å²	225	120.6 Å²	120.6	85%	0.849	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.3	4.4	-172.8	-78.9	-165.3	175.5	-174.9	-0	116.1	F196	F196-R198 PolarHBondContact O-N 2.98Å
199	R	54.3	Low	62.2	Low	227 Å²	227	125.4 Å²	125.4	86%	0.857	67%	0.667	S	S	*	*	S	Bend	trans	-112.5	-6.2	-178.8	-79.8	-172.6	176.9	173.5	-0.3	116.9
200	N	46.1	Very low	59.6	Low	155 Å²	155	132.1 Å²	132.1	83%	0.829	71%	0.706	S	S	*	*	S	Bend	trans	-121.2	53	178.1	-77.8	10	0	0	0	113.1
201	S	55.6	Low	56.8	Low	107 Å²	107	138.8 Å²	138.8	75%	0.748	74%	0.738	S	S	*	*	S	Bend	trans	-140.7	92.8	162.2	49.7	0	0	0	0	108.6
202	G	52	Low	53.6	Low	75 Å²	75	149.8 Å²	149.8	77%	0.773	80%	0.796	S	S	*	*			trans	122.1	83.8	166.5	0	0	0	0	0	114.6
203	C	39.2	Very low	50.9	Low	214 Å²	214	146.4 Å²	146.4	100%	1.446	80%	0.804	S	S	*	*				-161.8	0	128.4	-87.7	0	0	0	0	107.3

Retrieved 203 of 203 residues in 283.8 ms (Link to these results)

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